smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474929416 1027796974 /nfs/dbraw/zinc/79/69/74/1027796974.db2.gz JKFYFPXGAAZWOV-CABZTGNLSA-N 1 0 347.178 4.250 20 30 EIEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000237516062 1032231870 /nfs/dbraw/zinc/23/18/70/1032231870.db2.gz FAZWOZGXPWDJGI-MSOLQXFVSA-N 1 0 336.483 4.380 20 30 EIEDRO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000450058057 1032242588 /nfs/dbraw/zinc/24/25/88/1032242588.db2.gz GSHDICBPBJIHEE-ICSRJNTNSA-N 1 0 340.511 4.292 20 30 EIEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C)cc2)no1 ZINC001211975325 1032261834 /nfs/dbraw/zinc/26/18/34/1032261834.db2.gz DEPQLGUQUBTYJC-ROUUACIJSA-N 1 0 343.471 4.123 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000585756126 1032299030 /nfs/dbraw/zinc/29/90/30/1032299030.db2.gz HTLBUTRRLLGHTC-QFIPXVFZSA-N 1 0 332.447 4.228 20 30 EIEDRO CC(C)(C)N1CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001625956492 1032314055 /nfs/dbraw/zinc/31/40/55/1032314055.db2.gz GWDIHIPRPIWFFO-LJQANCHMSA-N 1 0 349.434 4.162 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1OCCCC#N ZINC000245563648 1032316472 /nfs/dbraw/zinc/31/64/72/1032316472.db2.gz PVEDTNQLFQKBPR-ZWKOTPCHSA-N 1 0 328.456 4.142 20 30 EIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(C2CC2)cc1 ZINC000419357523 1032365926 /nfs/dbraw/zinc/36/59/26/1032365926.db2.gz PJYBPVUDFNUBCU-KRWDZBQOSA-N 1 0 347.462 4.161 20 30 EIEDRO C[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)C ZINC000532928842 1032394313 /nfs/dbraw/zinc/39/43/13/1032394313.db2.gz RYVXCAVHWUPPKR-LSDHHAIUSA-N 1 0 347.528 4.243 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000532928841 1032394721 /nfs/dbraw/zinc/39/47/21/1032394721.db2.gz RYVXCAVHWUPPKR-HUUCEWRRSA-N 1 0 347.528 4.243 20 30 EIEDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2sccc2C#N)c1 ZINC000532977175 1032423509 /nfs/dbraw/zinc/42/35/09/1032423509.db2.gz WHYNNTUSZPYWQI-HNNXBMFYSA-N 1 0 341.480 4.258 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000245735577 1032448867 /nfs/dbraw/zinc/44/88/67/1032448867.db2.gz KRETZAMPCHUWJQ-FXAWDEMLSA-N 1 0 335.451 4.054 20 30 EIEDRO C=CCC1(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CCCCC1 ZINC000450514296 1032539398 /nfs/dbraw/zinc/53/93/98/1032539398.db2.gz CUVWGHHKRXKSNE-ZWKOTPCHSA-N 1 0 332.532 4.282 20 30 EIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCC3=CCCCC3)CC2)c1 ZINC000450532872 1032542810 /nfs/dbraw/zinc/54/28/10/1032542810.db2.gz RRYUJGNWMORFSJ-UHFFFAOYSA-N 1 0 337.467 4.099 20 30 EIEDRO C=CCC[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000533262982 1032585575 /nfs/dbraw/zinc/58/55/75/1032585575.db2.gz BVCMOFNKAMZZHF-IBGZPJMESA-N 1 0 343.515 4.210 20 30 EIEDRO N#Cc1cccc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000533368473 1032706749 /nfs/dbraw/zinc/70/67/49/1032706749.db2.gz BBOJWLMRVRXFAO-UHFFFAOYSA-N 1 0 345.421 4.337 20 30 EIEDRO CCC1(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCOCC1 ZINC000512410654 1032708720 /nfs/dbraw/zinc/70/87/20/1032708720.db2.gz KOZQTBRVWHMFSK-UHFFFAOYSA-N 1 0 342.483 4.045 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000455243659 1032768211 /nfs/dbraw/zinc/76/82/11/1032768211.db2.gz JHPPNFRVUXTDPS-QGZVFWFLSA-N 1 0 343.515 4.487 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1)C(C)C ZINC000116805153 1018819624 /nfs/dbraw/zinc/81/96/24/1018819624.db2.gz ICAYQJYDZIFUID-LAUBAEHRSA-N 1 0 341.499 4.119 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cccc(COCc3ccco3)c2)ccc1C#N ZINC000577574261 1018854888 /nfs/dbraw/zinc/85/48/88/1018854888.db2.gz UDMODHAOBZZWHE-UHFFFAOYSA-N 1 0 346.430 4.466 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000558736893 1019006800 /nfs/dbraw/zinc/00/68/00/1019006800.db2.gz XNAIVYADCDJMJQ-NSHDSACASA-N 1 0 348.233 4.154 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](CSC)C2)ccc1OC ZINC000430187474 1019054922 /nfs/dbraw/zinc/05/49/22/1019054922.db2.gz CCVFRLGLYSPMBW-KRWDZBQOSA-N 1 0 335.513 4.225 20 30 EIEDRO C=CCC[C@@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000274981644 1019888508 /nfs/dbraw/zinc/88/85/08/1019888508.db2.gz FFVLNVIXEWNBQC-HXUWFJFHSA-N 1 0 328.500 4.068 20 30 EIEDRO C=CCCC[NH+]1CCC(Oc2ccccc2OC(F)(F)F)CC1 ZINC001209157407 1020062118 /nfs/dbraw/zinc/06/21/18/1020062118.db2.gz VHQCMWVTXNSLRN-UHFFFAOYSA-N 1 0 329.362 4.395 20 30 EIEDRO N#CCCCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237814277 1032885692 /nfs/dbraw/zinc/88/56/92/1032885692.db2.gz WDOKUFSGBMZQOC-UHFFFAOYSA-N 1 0 333.775 4.292 20 30 EIEDRO C=CCCCCC[NH+]1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001209431452 1020323089 /nfs/dbraw/zinc/32/30/89/1020323089.db2.gz OFZWOKIKQBXXFN-UHFFFAOYSA-N 1 0 346.490 4.153 20 30 EIEDRO C=CCCCCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001209436280 1020334446 /nfs/dbraw/zinc/33/44/46/1020334446.db2.gz PGWTVYCLPJCOEZ-JKSUJKDBSA-N 1 0 328.472 4.060 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1COC2(CCCCC2)O1 ZINC001167240697 1020648301 /nfs/dbraw/zinc/64/83/01/1020648301.db2.gz KMAHKEZNRBRBPR-HXUWFJFHSA-N 1 0 342.483 4.092 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1COC2(CCCCC2)O1 ZINC001167240696 1020649077 /nfs/dbraw/zinc/64/90/77/1020649077.db2.gz KMAHKEZNRBRBPR-FQEVSTJZSA-N 1 0 342.483 4.092 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000608841402 1020874500 /nfs/dbraw/zinc/87/45/00/1020874500.db2.gz JUTYIOWALFANBD-UHFFFAOYSA-N 1 0 338.476 4.146 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)cc1C#N ZINC000176747879 1020915300 /nfs/dbraw/zinc/91/53/00/1020915300.db2.gz HDGWFEUQSRIGGN-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)s1 ZINC000176955862 1020940086 /nfs/dbraw/zinc/94/00/86/1020940086.db2.gz WECOFTSHCMLDNV-NSHDSACASA-N 1 0 335.270 4.103 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC001167309515 1021017991 /nfs/dbraw/zinc/01/79/91/1021017991.db2.gz DDQBZSXZSSDXRE-NKELODKYSA-N 1 0 345.483 4.123 20 30 EIEDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340438699 1021024831 /nfs/dbraw/zinc/02/48/31/1021024831.db2.gz AFIXGVPJZKKKJF-WIYYLYMNSA-N 1 0 349.478 4.453 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000340445882 1021042032 /nfs/dbraw/zinc/04/20/32/1021042032.db2.gz LXKPMBJOKMTSMY-HXUWFJFHSA-N 1 0 334.467 4.075 20 30 EIEDRO N#Cc1c(Cl)cccc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000610303956 1021079439 /nfs/dbraw/zinc/07/94/39/1021079439.db2.gz KJZSXSXIRLFZRV-KRWDZBQOSA-N 1 0 329.831 4.444 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000153553078 1021202035 /nfs/dbraw/zinc/20/20/35/1021202035.db2.gz FWEYVVUMAFWSEY-LJQANCHMSA-N 1 0 325.481 4.435 20 30 EIEDRO C[NH+](C)CCOc1cc(F)ccc1Nc1cc(Cl)cc(C#N)c1 ZINC001210539779 1021202950 /nfs/dbraw/zinc/20/29/50/1021202950.db2.gz KXOWHOAOLGBOCM-UHFFFAOYSA-N 1 0 333.794 4.035 20 30 EIEDRO CC(=NNc1cc(C)ccc1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000748134394 1021315445 /nfs/dbraw/zinc/31/54/45/1021315445.db2.gz WWHANGXWDPQWQN-UHFFFAOYSA-N 1 0 325.456 4.080 20 30 EIEDRO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610343239 1021331283 /nfs/dbraw/zinc/33/12/83/1021331283.db2.gz BWHKCPBRCOLQEY-YESZJQIVSA-N 1 0 349.478 4.037 20 30 EIEDRO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610343963 1021334201 /nfs/dbraw/zinc/33/42/01/1021334201.db2.gz XCLBEDKFXNVSSA-UONOGXRCSA-N 1 0 341.842 4.198 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000610343478 1021338047 /nfs/dbraw/zinc/33/80/47/1021338047.db2.gz IRNNCZMASILOCU-VXGBXAGGSA-N 1 0 345.805 4.029 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc2ccccc21 ZINC000610343412 1021338793 /nfs/dbraw/zinc/33/87/93/1021338793.db2.gz FZFJGHBKCJVIER-HOTGVXAUSA-N 1 0 343.430 4.389 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCc2cccnc2)cc1)c1cccc(C#N)c1 ZINC000610345255 1021340256 /nfs/dbraw/zinc/34/02/56/1021340256.db2.gz YWBGDZYKAKCQDA-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1F)c1cccc(C#N)c1 ZINC000610344983 1021340364 /nfs/dbraw/zinc/34/03/64/1021340364.db2.gz PQGDFQYEQHXFCT-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610346072 1021342812 /nfs/dbraw/zinc/34/28/12/1021342812.db2.gz JUWFNDKFNDZOJI-IRXDYDNUSA-N 1 0 335.451 4.161 20 30 EIEDRO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610346150 1021345951 /nfs/dbraw/zinc/34/59/51/1021345951.db2.gz MVPTUPOZYOIGCZ-HZPDHXFCSA-N 1 0 349.478 4.361 20 30 EIEDRO CCCCOc1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1OC ZINC000177685181 1021442333 /nfs/dbraw/zinc/44/23/33/1021442333.db2.gz VZSPLBSCWFCHGF-UHFFFAOYSA-N 1 0 330.453 4.097 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(C#N)cc1 ZINC000376165996 1021639669 /nfs/dbraw/zinc/63/96/69/1021639669.db2.gz KJBULWUKDGWFEO-GOEBONIOSA-N 1 0 341.405 4.014 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(C#N)cc1 ZINC000376165995 1021640616 /nfs/dbraw/zinc/64/06/16/1021640616.db2.gz KJBULWUKDGWFEO-GDBMZVCRSA-N 1 0 341.405 4.014 20 30 EIEDRO C[C@@H]1CC(=O)C=C(Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)C1 ZINC001210776031 1021666145 /nfs/dbraw/zinc/66/61/45/1021666145.db2.gz LCUBKRMZKOJDIF-HRAATJIYSA-N 1 0 338.495 4.325 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000581254634 1021839542 /nfs/dbraw/zinc/83/95/42/1021839542.db2.gz OSJGKMNGDVLLKV-IBGZPJMESA-N 1 0 335.407 4.488 20 30 EIEDRO C[C@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431814114 1021895333 /nfs/dbraw/zinc/89/53/33/1021895333.db2.gz OHDVWTIIEXEMFC-YOEHRIQHSA-N 1 0 340.858 4.072 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)ccc1Br ZINC000414144604 1021948590 /nfs/dbraw/zinc/94/85/90/1021948590.db2.gz NBISCLMXEFYZCV-GOSISDBHSA-N 1 0 341.252 4.406 20 30 EIEDRO CCO[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000582455720 1021953769 /nfs/dbraw/zinc/95/37/69/1021953769.db2.gz ITERUAQGRCQCPH-GOSISDBHSA-N 1 0 348.368 4.444 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000178121080 1021980349 /nfs/dbraw/zinc/98/03/49/1021980349.db2.gz GGUJVZBTIBFKRT-HSQYWUDLSA-N 1 0 335.447 4.270 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000414166029 1022011047 /nfs/dbraw/zinc/01/10/47/1022011047.db2.gz MWJVKXUNHBYMLO-ZDUSSCGKSA-N 1 0 327.291 4.491 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(NCc2ccccc2-n2ccnc2)n1 ZINC000613430591 1022011383 /nfs/dbraw/zinc/01/13/83/1022011383.db2.gz CVFHWIUBKDATNH-UHFFFAOYSA-N 1 0 331.423 4.049 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000414167445 1022012618 /nfs/dbraw/zinc/01/26/18/1022012618.db2.gz PFPYDFWAIAMIAG-CQSZACIVSA-N 1 0 337.261 4.192 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000414167739 1022012730 /nfs/dbraw/zinc/01/27/30/1022012730.db2.gz PPFQGARPGZJNFI-CQSZACIVSA-N 1 0 337.261 4.192 20 30 EIEDRO C=CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC001167406768 1022066162 /nfs/dbraw/zinc/06/61/62/1022066162.db2.gz VSXNIEXHTKYPKH-SJORKVTESA-N 1 0 336.479 4.304 20 30 EIEDRO CC(C)C[C@H](CCO)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271079166 1022114069 /nfs/dbraw/zinc/11/40/69/1022114069.db2.gz QAXMMVNWHHDYRS-PELRDEGISA-N 1 0 328.500 4.025 20 30 EIEDRO C[C@@H](c1cccs1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000054429010 1022126352 /nfs/dbraw/zinc/12/63/52/1022126352.db2.gz QKSLAGAXPXOFAX-LBPRGKRZSA-N 1 0 347.871 4.295 20 30 EIEDRO CC[C@H]([NH2+][C@@H](Cc1nc(C)no1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278802040 1022215796 /nfs/dbraw/zinc/21/57/96/1022215796.db2.gz RFGCOIQLMANBFV-PMACEKPBSA-N 1 0 346.434 4.274 20 30 EIEDRO CC1(c2ccc(Br)cc2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000549674294 1033040114 /nfs/dbraw/zinc/04/01/14/1033040114.db2.gz NDGUOWCBFPDVEG-PBHICJAKSA-N 1 0 347.300 4.495 20 30 EIEDRO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000378106787 1022380249 /nfs/dbraw/zinc/38/02/49/1022380249.db2.gz ZKQZMXVWICRYAX-IEBWSBKVSA-N 1 0 346.902 4.217 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000414297839 1022439396 /nfs/dbraw/zinc/43/93/96/1022439396.db2.gz HQQNYKDNDGDHTJ-IBGZPJMESA-N 1 0 341.524 4.197 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)cc1 ZINC000180933992 1022563101 /nfs/dbraw/zinc/56/31/01/1022563101.db2.gz SAGOKKPCFVWTNA-UHFFFAOYSA-N 1 0 334.391 4.193 20 30 EIEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000541215341 1022604949 /nfs/dbraw/zinc/60/49/49/1022604949.db2.gz ZQMXZWDSPBSYMC-AMZMEHNNSA-N 1 0 349.478 4.425 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659013749 1022635047 /nfs/dbraw/zinc/63/50/47/1022635047.db2.gz ZLABPUAHYACGTQ-LJQANCHMSA-N 1 0 341.499 4.049 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)nc1 ZINC000580869836 1022642523 /nfs/dbraw/zinc/64/25/23/1022642523.db2.gz PKAJIZMTMPCWLF-UHFFFAOYSA-N 1 0 340.430 4.180 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000186697018 1022718407 /nfs/dbraw/zinc/71/84/07/1022718407.db2.gz ZJZSWXUGYRUXBO-HZPDHXFCSA-N 1 0 328.481 4.023 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000186696978 1022719103 /nfs/dbraw/zinc/71/91/03/1022719103.db2.gz ZJZSWXUGYRUXBO-JKSUJKDBSA-N 1 0 328.481 4.023 20 30 EIEDRO C=C(Br)CN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180565029 1022719555 /nfs/dbraw/zinc/71/95/55/1022719555.db2.gz PFLYPJIXQFCQOA-NSHDSACASA-N 1 0 326.131 4.317 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000186712899 1022738647 /nfs/dbraw/zinc/73/86/47/1022738647.db2.gz UPGAZXFIRABTAY-NOZJJQNGSA-N 1 0 341.295 4.312 20 30 EIEDRO Cc1csc(N2CCC([NH2+][C@H](CCC#N)c3ccccc3)CC2)n1 ZINC000090665118 1022748206 /nfs/dbraw/zinc/74/82/06/1022748206.db2.gz XEVDKLOAFSFFGN-GOSISDBHSA-N 1 0 340.496 4.055 20 30 EIEDRO CCCC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000581039702 1022808289 /nfs/dbraw/zinc/80/82/89/1022808289.db2.gz VSSNKZYXVOPNDZ-OAQYLSRUSA-N 1 0 325.500 4.476 20 30 EIEDRO C[C@H](NCc1cccc(C#N)c1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000363819913 1022815820 /nfs/dbraw/zinc/81/58/20/1022815820.db2.gz NPXYHKKUYAGONY-AWEZNQCLSA-N 1 0 344.443 4.404 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)s1 ZINC000176948550 1022852495 /nfs/dbraw/zinc/85/24/95/1022852495.db2.gz FKJQOULDMQOJES-UHFFFAOYSA-N 1 0 334.444 4.489 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccnc(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000378510733 1022852812 /nfs/dbraw/zinc/85/28/12/1022852812.db2.gz IPOHGIGNTUCUQI-CQSZACIVSA-N 1 0 332.382 4.005 20 30 EIEDRO CC(C)Oc1ccccc1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000236677658 1022874708 /nfs/dbraw/zinc/87/47/08/1022874708.db2.gz PJBLYKVNVQAPSD-UHFFFAOYSA-N 1 0 337.467 4.113 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(F)c1 ZINC000181065996 1022886766 /nfs/dbraw/zinc/88/67/66/1022886766.db2.gz AYUCGVAWNVVWLK-MRXNPFEDSA-N 1 0 345.443 4.074 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Br)cc1 ZINC000181113383 1022890645 /nfs/dbraw/zinc/89/06/45/1022890645.db2.gz SJCKJMKIIIHCTM-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO CC(C)(C#N)CCCN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376539429 1022921335 /nfs/dbraw/zinc/92/13/35/1022921335.db2.gz HWEMPYMAIJFBKT-LBPRGKRZSA-N 1 0 344.381 4.031 20 30 EIEDRO CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCOCCC#N ZINC000549718168 1033093263 /nfs/dbraw/zinc/09/32/63/1033093263.db2.gz ZCQOJXJECZWBSS-INIZCTEOSA-N 1 0 342.405 4.182 20 30 EIEDRO Cc1cccc2nc(C3CC[NH+](Cc4cc(C#N)cs4)CC3)oc21 ZINC000188885086 1022953742 /nfs/dbraw/zinc/95/37/42/1022953742.db2.gz NJLXXYRDBZBAEK-UHFFFAOYSA-N 1 0 337.448 4.449 20 30 EIEDRO Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1N[C@@H](C)c1cccc(C#N)c1 ZINC001167707492 1022968097 /nfs/dbraw/zinc/96/80/97/1022968097.db2.gz YVRCVQPHSVNNNN-AWEZNQCLSA-N 1 0 336.439 4.419 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000162278351 1022979768 /nfs/dbraw/zinc/97/97/68/1022979768.db2.gz DEIGHYAJHUXESQ-CABCVRRESA-N 1 0 327.399 4.258 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCCC(F)(F)CC2)ccc1OC ZINC000628421956 1022987543 /nfs/dbraw/zinc/98/75/43/1022987543.db2.gz GTBRLTMMNJHTNH-UHFFFAOYSA-N 1 0 325.399 4.271 20 30 EIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000340959607 1023013385 /nfs/dbraw/zinc/01/33/85/1023013385.db2.gz RAGNMQSVODGSQV-GOSISDBHSA-N 1 0 348.425 4.020 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000510394518 1023056255 /nfs/dbraw/zinc/05/62/55/1023056255.db2.gz HFEOBBQJMNYEKW-LJQANCHMSA-N 1 0 344.462 4.284 20 30 EIEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2Cl)C1 ZINC000463206672 1023086260 /nfs/dbraw/zinc/08/62/60/1023086260.db2.gz YVEOEJVGIYGSMS-JRJVTICQSA-N 1 0 346.902 4.363 20 30 EIEDRO C[C@H](Nc1c[nH+]c2cc(Br)ccn12)c1cccc(C#N)c1 ZINC001167710818 1023145675 /nfs/dbraw/zinc/14/56/75/1023145675.db2.gz QYRYQOXHTURWIZ-NSHDSACASA-N 1 0 341.212 4.142 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364065994 1023235747 /nfs/dbraw/zinc/23/57/47/1023235747.db2.gz LRWZNPVCGPSJOO-ICSRJNTNSA-N 1 0 328.500 4.102 20 30 EIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)COCc1ccccc1 ZINC000181606730 1023244669 /nfs/dbraw/zinc/24/46/69/1023244669.db2.gz YJQQRAXANSOMGC-ROUUACIJSA-N 1 0 338.451 4.092 20 30 EIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cccnc1 ZINC000414565235 1023254531 /nfs/dbraw/zinc/25/45/31/1023254531.db2.gz YPDOAHNATOPOHO-UHFFFAOYSA-N 1 0 333.357 4.039 20 30 EIEDRO CC(C)OCCC[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376843207 1023322905 /nfs/dbraw/zinc/32/29/05/1023322905.db2.gz OWWWKTNIMSVEOI-CQSZACIVSA-N 1 0 329.469 4.147 20 30 EIEDRO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376854272 1023325506 /nfs/dbraw/zinc/32/55/06/1023325506.db2.gz AJKWEDVCADWEIC-MGPQQGTHSA-N 1 0 341.480 4.288 20 30 EIEDRO C[C@@H](NC[C@@H](C#N)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376865898 1023327579 /nfs/dbraw/zinc/32/75/79/1023327579.db2.gz CHWCNOZWAFUMII-SJLPKXTDSA-N 1 0 328.419 4.319 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](CO)c3ccccc32)cc1Cl ZINC000376956940 1023341437 /nfs/dbraw/zinc/34/14/37/1023341437.db2.gz HYFOUEICDGZLMB-KXBFYZLASA-N 1 0 343.854 4.215 20 30 EIEDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(-c5ccccc5C#N)cc4)[C@H]1[C@H]3C2 ZINC000511638824 1023388149 /nfs/dbraw/zinc/38/81/49/1023388149.db2.gz CGDMRUVMFWVJDF-UUWFGAOWSA-N 1 0 344.458 4.080 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000341218223 1023389710 /nfs/dbraw/zinc/38/97/10/1023389710.db2.gz ITXUHBYMAQUYFB-ULRHQZHYSA-N 1 0 341.499 4.047 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000175911076 1023414587 /nfs/dbraw/zinc/41/45/87/1023414587.db2.gz FDAGEZYTDIAHIR-KGVIQGDOSA-N 1 0 333.479 4.262 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549173474 1023420801 /nfs/dbraw/zinc/42/08/01/1023420801.db2.gz XFRYTXMRHBXVIC-MRXNPFEDSA-N 1 0 338.373 4.121 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCSC[C@@H]2c2cccs2)cc1 ZINC000377249561 1023427217 /nfs/dbraw/zinc/42/72/17/1023427217.db2.gz KUZHAFFIZOWAEJ-RHSMWYFYSA-N 1 0 344.505 4.329 20 30 EIEDRO CC[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccsc1 ZINC000584511745 1023459132 /nfs/dbraw/zinc/45/91/32/1023459132.db2.gz PKAUJXKICQVQEK-ABHNRTSZSA-N 1 0 341.480 4.446 20 30 EIEDRO C=CCCCC[NH2+]Cc1c(Br)cncc1Br ZINC000390375351 1023493084 /nfs/dbraw/zinc/49/30/84/1023493084.db2.gz XKIQAHIYGVNFOR-UHFFFAOYSA-N 1 0 348.082 4.053 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@@H](C)CCC#N)cc(C)c1OCC(F)(F)F ZINC000472753716 1023500455 /nfs/dbraw/zinc/50/04/55/1023500455.db2.gz SXUVMICDDRLAIA-AWEZNQCLSA-N 1 0 328.378 4.369 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000276443134 1023542691 /nfs/dbraw/zinc/54/26/91/1023542691.db2.gz RVIMLKJQNVZXLT-UHFFFAOYSA-N 1 0 343.515 4.392 20 30 EIEDRO CCCn1c2ccccc2nc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000418137436 1023555064 /nfs/dbraw/zinc/55/50/64/1023555064.db2.gz BPTYAGCYWXGHBU-IBGZPJMESA-N 1 0 344.462 4.485 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(OCC#N)cc1 ZINC000276474388 1023573083 /nfs/dbraw/zinc/57/30/83/1023573083.db2.gz RYHJABRATAGVPQ-APWZRJJASA-N 1 0 328.456 4.121 20 30 EIEDRO CC1(C)SC[C@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000549267394 1023595240 /nfs/dbraw/zinc/59/52/40/1023595240.db2.gz HYYXIVBHUASMCJ-LJQANCHMSA-N 1 0 338.476 4.121 20 30 EIEDRO CC1(C)SC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000549267387 1023595370 /nfs/dbraw/zinc/59/53/70/1023595370.db2.gz HYYXIVBHUASMCJ-IBGZPJMESA-N 1 0 338.476 4.121 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](OC)c2cccc(Cl)c2)c1 ZINC000462758585 1023652236 /nfs/dbraw/zinc/65/22/36/1023652236.db2.gz VFENOFZAMDGPCE-LJQANCHMSA-N 1 0 331.843 4.382 20 30 EIEDRO CC[N@H+](CC(=O)c1c[nH]c2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000103468816 1023686208 /nfs/dbraw/zinc/68/62/08/1023686208.db2.gz DSEHRLLRXFTGDV-HNNXBMFYSA-N 1 0 331.419 4.305 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000415584451 1023708988 /nfs/dbraw/zinc/70/89/88/1023708988.db2.gz SMBFVHXWGCXZSC-RDJZCZTQSA-N 1 0 329.488 4.130 20 30 EIEDRO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]CCCCC1(C#N)CCC1 ZINC000933441773 1023709944 /nfs/dbraw/zinc/70/99/44/1023709944.db2.gz DPZIAVHKJOPMPI-SFHVURJKSA-N 1 0 334.891 4.087 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCc3sc(Br)cc32)cc1 ZINC000581824105 1023734098 /nfs/dbraw/zinc/73/40/98/1023734098.db2.gz XIVJFBUPYUNBEI-AWEZNQCLSA-N 1 0 347.281 4.354 20 30 EIEDRO C=CCOc1ccc(CN(C)C2CC[NH+](CCC)CC2)cc1Cl ZINC000510467759 1023764157 /nfs/dbraw/zinc/76/41/57/1023764157.db2.gz RMWUTISJRQWGKY-UHFFFAOYSA-N 1 0 336.907 4.211 20 30 EIEDRO Cc1ccc(-c2nc(CC[NH2+][C@@H](C)c3ccc(C#N)cc3)co2)cc1 ZINC000181652335 1023765511 /nfs/dbraw/zinc/76/55/11/1023765511.db2.gz NCOLAEHGCXNFQW-INIZCTEOSA-N 1 0 331.419 4.415 20 30 EIEDRO Cc1ccc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167487458 1023829943 /nfs/dbraw/zinc/82/99/43/1023829943.db2.gz MXQRPZUXFSSPKN-OAQYLSRUSA-N 1 0 347.462 4.423 20 30 EIEDRO C=CCC(C)(C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000432007656 1023832372 /nfs/dbraw/zinc/83/23/72/1023832372.db2.gz QXPLQSVAUBGAJZ-QGZVFWFLSA-N 1 0 334.891 4.195 20 30 EIEDRO C=CCc1cc(C[N@H+]([C@H](C)c2ccco2)C2CC2)cc(OC)c1O ZINC000511757544 1023864470 /nfs/dbraw/zinc/86/44/70/1023864470.db2.gz PGRGJNOOOLVACR-CQSZACIVSA-N 1 0 327.424 4.448 20 30 EIEDRO C=CCOc1ccccc1CNCc1ccsc1Br ZINC000388551129 1023893169 /nfs/dbraw/zinc/89/31/69/1023893169.db2.gz PFMXEEASQISIRS-UHFFFAOYSA-N 1 0 338.270 4.365 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000128498458 1023898132 /nfs/dbraw/zinc/89/81/32/1023898132.db2.gz HFDYALPNRUUUAU-OAHLLOKOSA-N 1 0 327.424 4.119 20 30 EIEDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000543873813 1024008781 /nfs/dbraw/zinc/00/87/81/1024008781.db2.gz JEKOCJKNVDYCGL-INIZCTEOSA-N 1 0 343.430 4.485 20 30 EIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430764473 1024019737 /nfs/dbraw/zinc/01/97/37/1024019737.db2.gz SELOFTRPTGUOKI-FQEVSTJZSA-N 1 0 338.426 4.402 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000661380673 1024078506 /nfs/dbraw/zinc/07/85/06/1024078506.db2.gz IJLGHKMRLFTIIE-AWEZNQCLSA-N 1 0 340.389 4.322 20 30 EIEDRO CCC[N@H+](CC(=O)c1c[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000109104293 1024150351 /nfs/dbraw/zinc/15/03/51/1024150351.db2.gz WXKLFUOABNSDFV-UHFFFAOYSA-N 1 0 331.419 4.134 20 30 EIEDRO C[C@H](CCc1c(F)cccc1F)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000510657772 1024189042 /nfs/dbraw/zinc/18/90/42/1024189042.db2.gz RACBEONAEHKYDM-CQSZACIVSA-N 1 0 326.390 4.436 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000661115353 1024242059 /nfs/dbraw/zinc/24/20/59/1024242059.db2.gz BROWWAQFGHYQHH-IUODEOHRSA-N 1 0 331.847 4.213 20 30 EIEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000341662329 1024242450 /nfs/dbraw/zinc/24/24/50/1024242450.db2.gz UJPQUGKAKBFCOQ-MRXNPFEDSA-N 1 0 326.440 4.286 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1Sc2ccccc2NC1=O ZINC000661116736 1024247072 /nfs/dbraw/zinc/24/70/72/1024247072.db2.gz ZRCUWSDPULRNRV-VKJFTORMSA-N 1 0 330.497 4.214 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1Sc2ccccc2NC1=O ZINC000661116734 1024248723 /nfs/dbraw/zinc/24/87/23/1024248723.db2.gz ZRCUWSDPULRNRV-RKVPGOIHSA-N 1 0 330.497 4.214 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3csc(CC)n3)CC2)C1 ZINC000651714100 1024248890 /nfs/dbraw/zinc/24/88/90/1024248890.db2.gz PNEIBZITPZDLLU-SJLPKXTDSA-N 1 0 347.572 4.252 20 30 EIEDRO C=CCCCC[NH2+][C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000471897707 1024338816 /nfs/dbraw/zinc/33/88/16/1024338816.db2.gz SXLXGAZUBLUVHS-HXUWFJFHSA-N 1 0 338.451 4.321 20 30 EIEDRO C[C@@H]([NH2+][C@H](CO)CCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000652306371 1024519330 /nfs/dbraw/zinc/51/93/30/1024519330.db2.gz URMVZGIKWSNRDF-PELKAZGASA-N 1 0 347.274 4.095 20 30 EIEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341755760 1024608130 /nfs/dbraw/zinc/60/81/30/1024608130.db2.gz ADTNAJAZGUJDHZ-VBKZILBWSA-N 1 0 336.435 4.304 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341758858 1024616498 /nfs/dbraw/zinc/61/64/98/1024616498.db2.gz DTUVMFIDNVOONG-IFXJQAMLSA-N 1 0 336.435 4.304 20 30 EIEDRO N#CC(CC[NH+]1CCC(F)(C#N)CC1)(c1ccccc1)c1ccccc1 ZINC000510873244 1024693151 /nfs/dbraw/zinc/69/31/51/1024693151.db2.gz SCTXJHRMCINTMA-UHFFFAOYSA-N 1 0 347.437 4.214 20 30 EIEDRO CCN(Cc1cc(OC)c(OC)cc1-c1ccccc1)C[C@@H](C)C#N ZINC000091982928 1024707566 /nfs/dbraw/zinc/70/75/66/1024707566.db2.gz VVJYRJRMGDYRPC-INIZCTEOSA-N 1 0 338.451 4.352 20 30 EIEDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000610719295 1024720095 /nfs/dbraw/zinc/72/00/95/1024720095.db2.gz WBNPXGRYXWXLJJ-MRXNPFEDSA-N 1 0 349.453 4.113 20 30 EIEDRO CCc1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000511926938 1024807158 /nfs/dbraw/zinc/80/71/58/1024807158.db2.gz NNFYPCUKHRQNHB-UHFFFAOYSA-N 1 0 327.431 4.472 20 30 EIEDRO C=C(C)[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccc(F)c(F)c1 ZINC000548487160 1024841203 /nfs/dbraw/zinc/84/12/03/1024841203.db2.gz XRKGOTOXPARDJQ-DSSZZKGTSA-N 1 0 349.343 4.408 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1cccc(Cl)c1Cl ZINC000662084475 1024850728 /nfs/dbraw/zinc/85/07/28/1024850728.db2.gz RTMDQZZIBDXWEV-TXEJJXNPSA-N 1 0 325.239 4.115 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1nc(-c2cccc(Cl)c2)no1 ZINC000662084862 1024851643 /nfs/dbraw/zinc/85/16/43/1024851643.db2.gz XOAQFKWLSFUDPX-IYBDPMFKSA-N 1 0 329.831 4.116 20 30 EIEDRO C=CCCC[C@@H](C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccccc1 ZINC001126192981 1024852983 /nfs/dbraw/zinc/85/29/83/1024852983.db2.gz FDCUSFJZGWROFA-LJQANCHMSA-N 1 0 346.434 4.346 20 30 EIEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000599351222 1024876693 /nfs/dbraw/zinc/87/66/93/1024876693.db2.gz ZLJKZLYQOJAGCA-NHCUHLMSSA-N 1 0 334.463 4.005 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000610813291 1025022863 /nfs/dbraw/zinc/02/28/63/1025022863.db2.gz CAGBOOJNCQWFCE-KRWDZBQOSA-N 1 0 339.405 4.124 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610829772 1025051677 /nfs/dbraw/zinc/05/16/77/1025051677.db2.gz JUWCTSRIPBGWEE-IAGOWNOFSA-N 1 0 335.451 4.243 20 30 EIEDRO C=CC[C@@]1(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)CCC[NH2+]1 ZINC000662521693 1025225371 /nfs/dbraw/zinc/22/53/71/1025225371.db2.gz NUIZAEWPGIQPND-JTSKRJEESA-N 1 0 349.478 4.497 20 30 EIEDRO C=CC[C@]1(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)CCC[NH2+]1 ZINC000662521694 1025225557 /nfs/dbraw/zinc/22/55/57/1025225557.db2.gz NUIZAEWPGIQPND-VGOFRKELSA-N 1 0 349.478 4.497 20 30 EIEDRO COc1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1C#N ZINC000610993797 1025230420 /nfs/dbraw/zinc/23/04/20/1025230420.db2.gz ISMYLLITJDLNEP-QGZVFWFLSA-N 1 0 338.476 4.181 20 30 EIEDRO CCCCCCCC[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001167803815 1025254917 /nfs/dbraw/zinc/25/49/17/1025254917.db2.gz DZJRATXTBUCHAU-KRWDZBQOSA-N 1 0 344.421 4.356 20 30 EIEDRO CC(C)(C#N)CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000548527650 1025367270 /nfs/dbraw/zinc/36/72/70/1025367270.db2.gz UESGYAMXHBTXPJ-GOSISDBHSA-N 1 0 349.469 4.410 20 30 EIEDRO C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(C#N)c(F)c1 ZINC000538507025 1025439611 /nfs/dbraw/zinc/43/96/11/1025439611.db2.gz XGKCTJKXUJZROO-SECBINFHSA-N 1 0 343.349 4.066 20 30 EIEDRO N#CCC[C@@H](NCc1nccn1Cc1ccccc1)c1ccccc1 ZINC000342226261 1025508329 /nfs/dbraw/zinc/50/83/29/1025508329.db2.gz PWMIJHAWMXRQIX-HXUWFJFHSA-N 1 0 330.435 4.066 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC)c2cccc(Cl)c2)CC1 ZINC000519282543 1025698882 /nfs/dbraw/zinc/69/88/82/1025698882.db2.gz CEOICKIUCWUZLD-GOSISDBHSA-N 1 0 349.906 4.131 20 30 EIEDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC(C)(C)CCC#N ZINC000342281966 1025769723 /nfs/dbraw/zinc/76/97/23/1025769723.db2.gz ONOXJDKBLPITDD-UHFFFAOYSA-N 1 0 338.499 4.276 20 30 EIEDRO N#CCSCCC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157060148 1025806022 /nfs/dbraw/zinc/80/60/22/1025806022.db2.gz SMRHLBBZMRNRPI-OAHLLOKOSA-N 1 0 338.904 4.078 20 30 EIEDRO Cc1cc(C(F)(F)F)c(C#N)c(SCC[C@H]2CCCC[N@H+]2C)n1 ZINC000585731389 1025810149 /nfs/dbraw/zinc/81/01/49/1025810149.db2.gz FGHHHQWEFAAGBO-GFCCVEGCSA-N 1 0 343.418 4.247 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](CC3CC3)c3ccccc3)CC2)nc1 ZINC000585794430 1025841034 /nfs/dbraw/zinc/84/10/34/1025841034.db2.gz UVJRKCZMLHZENE-NRFANRHFSA-N 1 0 346.478 4.053 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000157318322 1025846481 /nfs/dbraw/zinc/84/64/81/1025846481.db2.gz CGNXTKPACJUVGS-UNMCSNQZSA-N 1 0 349.478 4.046 20 30 EIEDRO N#CC1(CCC[N@H+]2CC=C(c3c(F)cccc3F)CC2)CCOCC1 ZINC000369198538 1025853422 /nfs/dbraw/zinc/85/34/22/1025853422.db2.gz OOQMCANABZDMBR-UHFFFAOYSA-N 1 0 346.421 4.154 20 30 EIEDRO COc1ccccc1-c1noc([C@H](C)[NH2+]CCCCC(C)(C)C#N)n1 ZINC000278950513 1025860595 /nfs/dbraw/zinc/86/05/95/1025860595.db2.gz YUVJYTHAFUDXDX-AWEZNQCLSA-N 1 0 342.443 4.116 20 30 EIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000278968990 1025874758 /nfs/dbraw/zinc/87/47/58/1025874758.db2.gz PVDALUMPQDIVFE-LJQANCHMSA-N 1 0 344.842 4.062 20 30 EIEDRO C=CCN(Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C#N)c1 ZINC000512081209 1025897197 /nfs/dbraw/zinc/89/71/97/1025897197.db2.gz ADGFAJSUEVMUMN-UHFFFAOYSA-N 1 0 328.419 4.137 20 30 EIEDRO N#Cc1cc(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)cs1 ZINC000894481493 1026025580 /nfs/dbraw/zinc/02/55/80/1026025580.db2.gz PRVUBNMAAJKBJV-HNNXBMFYSA-N 1 0 341.263 4.140 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2Br)cc1 ZINC000048819791 1026073287 /nfs/dbraw/zinc/07/32/87/1026073287.db2.gz SUHAVELRCPLCOI-UHFFFAOYSA-N 1 0 332.241 4.304 20 30 EIEDRO CCCCCCCC[NH2+]C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC001167849869 1026130209 /nfs/dbraw/zinc/13/02/09/1026130209.db2.gz HKRMBCBOZBFDLN-UHFFFAOYSA-N 1 0 346.515 4.250 20 30 EIEDRO C=CC[N@H+](CCc1nc(-c2ccccc2)no1)CCc1ccccc1 ZINC000303783331 1026193583 /nfs/dbraw/zinc/19/35/83/1026193583.db2.gz DEOUCGZARKKGGY-UHFFFAOYSA-N 1 0 333.435 4.010 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(Br)c2)ccc1C#N ZINC000234950180 1026214835 /nfs/dbraw/zinc/21/48/35/1026214835.db2.gz DFMDIBIZSHGBOQ-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000684767924 1026226178 /nfs/dbraw/zinc/22/61/78/1026226178.db2.gz VAEWXXLOPDXTLV-ABAIWWIYSA-N 1 0 331.790 4.012 20 30 EIEDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH+]1CCCCC#N ZINC000582145384 1026253563 /nfs/dbraw/zinc/25/35/63/1026253563.db2.gz DUJUULJERIQARF-HUUCEWRRSA-N 1 0 339.405 4.298 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1OCCCC#N ZINC000344355816 1026268841 /nfs/dbraw/zinc/26/88/41/1026268841.db2.gz SCNKNBFILIYGOO-GBESFXJTSA-N 1 0 342.483 4.436 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000926377731 1026289183 /nfs/dbraw/zinc/28/91/83/1026289183.db2.gz LWIHPSBYWWUEKP-NHYWBVRUSA-N 1 0 336.277 4.213 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(F)c(F)c1 ZINC000893668147 1026311396 /nfs/dbraw/zinc/31/13/96/1026311396.db2.gz IJUMEYIBNPKXPO-QGZVFWFLSA-N 1 0 349.377 4.095 20 30 EIEDRO N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@H](c4cccc(F)c4)C3)n2)cc1 ZINC000729468636 1026395310 /nfs/dbraw/zinc/39/53/10/1026395310.db2.gz CVEHZHMPKPUHLG-IBGZPJMESA-N 1 0 346.409 4.008 20 30 EIEDRO N#Cc1ccc(CC[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC001167983036 1026425319 /nfs/dbraw/zinc/42/53/19/1026425319.db2.gz JEYGUNQLYYVVRF-UHFFFAOYSA-N 1 0 332.403 4.102 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)c(-c2ccncc2)n1 ZINC000279464956 1026438804 /nfs/dbraw/zinc/43/88/04/1026438804.db2.gz UVRMVCYCWZMUDV-FQEVSTJZSA-N 1 0 349.482 4.013 20 30 EIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1Cl ZINC000611589139 1026487211 /nfs/dbraw/zinc/48/72/11/1026487211.db2.gz RIQSWMKMDAVYFW-KZULUSFZSA-N 1 0 332.806 4.389 20 30 EIEDRO C[C@H](C[NH2+]CC(C)(C)CCC#N)Oc1cccc(Br)c1 ZINC000344662240 1026520955 /nfs/dbraw/zinc/52/09/55/1026520955.db2.gz GIYJHTXBBZSBNW-CYBMUJFWSA-N 1 0 339.277 4.136 20 30 EIEDRO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1F ZINC000512313368 1026682944 /nfs/dbraw/zinc/68/29/44/1026682944.db2.gz IPYIMLBUPBYWHI-ZOBUZTSGSA-N 1 0 329.463 4.001 20 30 EIEDRO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(OC(F)F)cc1C ZINC000507242353 1026715046 /nfs/dbraw/zinc/71/50/46/1026715046.db2.gz FZNAIJVQYVUNOC-UHFFFAOYSA-N 1 0 330.378 4.409 20 30 EIEDRO CC(C)(C)SCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113335485 1026782887 /nfs/dbraw/zinc/78/28/87/1026782887.db2.gz RXUCSRXZTPUYJK-UHFFFAOYSA-N 1 0 342.512 4.085 20 30 EIEDRO CC(C)C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000500482675 1026784004 /nfs/dbraw/zinc/78/40/04/1026784004.db2.gz XBBNZCASCNSEAX-INIZCTEOSA-N 1 0 333.863 4.051 20 30 EIEDRO C=CCC[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000427230410 1026787263 /nfs/dbraw/zinc/78/72/63/1026787263.db2.gz FGQWXLKJEKDFPL-VQTJNVASSA-N 1 0 328.500 4.069 20 30 EIEDRO CO[C@]1(C)C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1(C)C ZINC000507612365 1026854368 /nfs/dbraw/zinc/85/43/68/1026854368.db2.gz BANMCFQPFHSUQM-JLMIFGBASA-N 1 0 326.484 4.184 20 30 EIEDRO C[C@H](Cc1cccc(O)c1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507639609 1026857907 /nfs/dbraw/zinc/85/79/07/1026857907.db2.gz XBCMANSHDATYLG-FEPNQTLGSA-N 1 0 334.463 4.317 20 30 EIEDRO COCc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507635092 1026859845 /nfs/dbraw/zinc/85/98/45/1026859845.db2.gz HGDFDZXFGJSFCL-UHFFFAOYSA-N 1 0 334.463 4.327 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000280795422 1026892819 /nfs/dbraw/zinc/89/28/19/1026892819.db2.gz JXAVTNCQPADFJQ-QRTARXTBSA-N 1 0 343.496 4.145 20 30 EIEDRO C=C1CCC(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000889015283 1026901326 /nfs/dbraw/zinc/90/13/26/1026901326.db2.gz DOKWJSSHYALGFR-KRWDZBQOSA-N 1 0 326.484 4.075 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000519749039 1026975851 /nfs/dbraw/zinc/97/58/51/1026975851.db2.gz CWQVTQBTRHTBMV-TZIWHRDSSA-N 1 0 347.462 4.155 20 30 EIEDRO C[C@H](Cc1cccs1)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC001167608063 1027098316 /nfs/dbraw/zinc/09/83/16/1027098316.db2.gz IQFRDMMBBKAHMP-GFCCVEGCSA-N 1 0 349.297 4.445 20 30 EIEDRO C=CCC[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000157006667 1027161895 /nfs/dbraw/zinc/16/18/95/1027161895.db2.gz RPCGIEADQSWXBS-IBGZPJMESA-N 1 0 343.515 4.256 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC3(CCOCC3)CC2)ccc1OC ZINC000342844036 1027259412 /nfs/dbraw/zinc/25/94/12/1027259412.db2.gz WUULLXOXQWKDNF-UHFFFAOYSA-N 1 0 345.483 4.043 20 30 EIEDRO COc1ccccc1OCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520173887 1027276876 /nfs/dbraw/zinc/27/68/76/1027276876.db2.gz GSABLZSTZRWSAG-UHFFFAOYSA-N 1 0 338.451 4.104 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cs2)cc1OCC ZINC000342859872 1027325326 /nfs/dbraw/zinc/32/53/26/1027325326.db2.gz IDRVWSCSWWBCCC-ZDUSSCGKSA-N 1 0 330.453 4.268 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000520213378 1027326513 /nfs/dbraw/zinc/32/65/13/1027326513.db2.gz AICDZVAPRUTNMK-NQIIRXRSSA-N 1 0 336.479 4.177 20 30 EIEDRO C=CCSc1ccccc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000474625974 1027327321 /nfs/dbraw/zinc/32/73/21/1027327321.db2.gz BCMIAAANGHWKFJ-UHFFFAOYSA-N 1 0 340.492 4.321 20 30 EIEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000441251838 1027384853 /nfs/dbraw/zinc/38/48/53/1027384853.db2.gz DJFKTYNRAWMVKK-FGZHOGPDSA-N 1 0 348.490 4.434 20 30 EIEDRO C=CCCC1(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000474692878 1027410767 /nfs/dbraw/zinc/41/07/67/1027410767.db2.gz USWVKTDTBMPYKR-UHFFFAOYSA-N 1 0 340.511 4.281 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000474725603 1027445231 /nfs/dbraw/zinc/44/52/31/1027445231.db2.gz CLLSEMAXWASIQV-UHFFFAOYSA-N 1 0 333.435 4.035 20 30 EIEDRO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)n1 ZINC000897301417 1027457369 /nfs/dbraw/zinc/45/73/69/1027457369.db2.gz IXPYMTJOAAOOMG-KRWDZBQOSA-N 1 0 337.492 4.071 20 30 EIEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000441353372 1027472120 /nfs/dbraw/zinc/47/21/20/1027472120.db2.gz VPGKEDDSSJNWBH-UHFFFAOYSA-N 1 0 338.451 4.381 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428355364 1027494064 /nfs/dbraw/zinc/49/40/64/1027494064.db2.gz OZZLCOHOAIFNQY-XIKOKIGWSA-N 1 0 332.806 4.217 20 30 EIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2nc3ccccc3n2C)cc1 ZINC000262271811 1027553809 /nfs/dbraw/zinc/55/38/09/1027553809.db2.gz KNPLTMFKKRMJLA-AWEZNQCLSA-N 1 0 335.455 4.014 20 30 EIEDRO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000329163527 1027618720 /nfs/dbraw/zinc/61/87/20/1027618720.db2.gz GIINVCDABWQQHE-IEBWSBKVSA-N 1 0 343.471 4.068 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc(Cl)c1OC ZINC000078878098 1027700996 /nfs/dbraw/zinc/70/09/96/1027700996.db2.gz GDFDIXOBNPWHPU-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc(Cl)c1OC ZINC000078878107 1027702058 /nfs/dbraw/zinc/70/20/58/1027702058.db2.gz GDFDIXOBNPWHPU-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000329343168 1027741529 /nfs/dbraw/zinc/74/15/29/1027741529.db2.gz SYIOFMXLYGNTLT-UHFFFAOYSA-N 1 0 348.516 4.167 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000329371615 1027754304 /nfs/dbraw/zinc/75/43/04/1027754304.db2.gz JASHPXPYIYHUQN-QFBILLFUSA-N 1 0 338.455 4.275 20 30 EIEDRO CC(C)Oc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000262532293 1027755607 /nfs/dbraw/zinc/75/56/07/1027755607.db2.gz ODRAOKHEOPLACA-RHSMWYFYSA-N 1 0 345.393 4.035 20 30 EIEDRO C=CCCC[C@H](C)[NH+]1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000091509676 1027771296 /nfs/dbraw/zinc/77/12/96/1027771296.db2.gz ZGTADLSMVGRGFN-INIZCTEOSA-N 1 0 333.472 4.292 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328683452 1027796645 /nfs/dbraw/zinc/79/66/45/1027796645.db2.gz DLKHHQVLKNOFLL-IUODEOHRSA-N 1 0 349.862 4.256 20 30 EIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428307489 1027897780 /nfs/dbraw/zinc/89/77/80/1027897780.db2.gz VBBBBXLSARJUOA-QGZVFWFLSA-N 1 0 348.425 4.020 20 30 EIEDRO C=CCn1c(Cc2ccccc2)nn(CN(C)CC(C)(C)C)c1=S ZINC000738090405 1027921789 /nfs/dbraw/zinc/92/17/89/1027921789.db2.gz RPZFGEHMBDVNNR-UHFFFAOYSA-N 1 0 344.528 4.126 20 30 EIEDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444660651 1027930608 /nfs/dbraw/zinc/93/06/08/1027930608.db2.gz KADUHJNXDPNTFL-UGKGYDQZSA-N 1 0 348.490 4.122 20 30 EIEDRO C#CCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000278073594 1027976437 /nfs/dbraw/zinc/97/64/37/1027976437.db2.gz GPGAMSUXHIGRPE-OAHLLOKOSA-N 1 0 326.465 4.021 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)C1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000439594683 1028084108 /nfs/dbraw/zinc/08/41/08/1028084108.db2.gz XGFJMCCPNXHJLW-CHWSQXEVSA-N 1 0 333.863 4.097 20 30 EIEDRO CCCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000523450495 1028103925 /nfs/dbraw/zinc/10/39/25/1028103925.db2.gz YHBULZWNXBOMTR-GOSISDBHSA-N 1 0 349.478 4.038 20 30 EIEDRO C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1nc(-c2ccncc2)cs1 ZINC000329891663 1028148417 /nfs/dbraw/zinc/14/84/17/1028148417.db2.gz IEKSRUQYJGETPQ-MJBXVCDLSA-N 1 0 344.484 4.095 20 30 EIEDRO C[N@H+](CCNC(=O)[C@H]1CCCc2c(O)cccc21)C1CCCCC1 ZINC000330013675 1028185110 /nfs/dbraw/zinc/18/51/10/1028185110.db2.gz MJIZMITWICKSRI-SFHVURJKSA-N 1 0 330.472 4.033 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)c1 ZINC000657742422 1028254155 /nfs/dbraw/zinc/25/41/55/1028254155.db2.gz RCLOJAMXBXSXKN-RTWAWAEBSA-N 1 0 325.452 4.099 20 30 EIEDRO C=CC[N@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccc(OC)cc1 ZINC000346155815 1028287015 /nfs/dbraw/zinc/28/70/15/1028287015.db2.gz RRUQNKUXECXLCK-UHFFFAOYSA-N 1 0 339.464 4.131 20 30 EIEDRO CC[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccc(C#N)cc1 ZINC000278150404 1028315138 /nfs/dbraw/zinc/31/51/38/1028315138.db2.gz ACLWALRQDHKBLT-SFHVURJKSA-N 1 0 348.475 4.360 20 30 EIEDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001307481238 1028476012 /nfs/dbraw/zinc/47/60/12/1028476012.db2.gz ZZHDXJPKZMSEJS-SUYBPPKGSA-N 1 0 333.273 4.474 20 30 EIEDRO C=CC[C@H](C)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000523936078 1028476183 /nfs/dbraw/zinc/47/61/83/1028476183.db2.gz SMMKVNXIUMLCPV-LBPRGKRZSA-N 1 0 348.288 4.306 20 30 EIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000523938036 1028476247 /nfs/dbraw/zinc/47/62/47/1028476247.db2.gz SYZXPSNGCSMPCP-OAHLLOKOSA-N 1 0 325.412 4.417 20 30 EIEDRO N#CC1(CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)CCOCC1 ZINC000281294689 1028510847 /nfs/dbraw/zinc/51/08/47/1028510847.db2.gz JMMVLMGAAHEBQM-VQTJNVASSA-N 1 0 326.484 4.088 20 30 EIEDRO CC(C)(C)C1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000161676171 1028595988 /nfs/dbraw/zinc/59/59/88/1028595988.db2.gz SAVHJPLLOGYIHT-UHFFFAOYSA-N 1 0 340.515 4.117 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000346723127 1028610022 /nfs/dbraw/zinc/61/00/22/1028610022.db2.gz SHULVXRMXSAFNW-INIZCTEOSA-N 1 0 329.488 4.096 20 30 EIEDRO Cc1cccnc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000281497677 1028653463 /nfs/dbraw/zinc/65/34/63/1028653463.db2.gz GQBVHHLRFNYLKT-OALUTQOASA-N 1 0 335.451 4.108 20 30 EIEDRO Cc1ccc(C#N)c(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000346832381 1028778674 /nfs/dbraw/zinc/77/86/74/1028778674.db2.gz NESVADJDPKAYEG-KRWDZBQOSA-N 1 0 334.467 4.248 20 30 EIEDRO N#Cc1cc(Br)cc(Nc2ccc(-c3ncc[nH]3)cc2)c1 ZINC001213088737 1028814925 /nfs/dbraw/zinc/81/49/25/1028814925.db2.gz AUYKDMYKKWKJOT-UHFFFAOYSA-N 1 0 339.196 4.454 20 30 EIEDRO COC1CC[NH+](C2(CNc3ccc(C#N)c(Cl)c3)CCCC2)CC1 ZINC000347149056 1028889634 /nfs/dbraw/zinc/88/96/34/1028889634.db2.gz MXCTVDIJVDBSNH-UHFFFAOYSA-N 1 0 347.890 4.047 20 30 EIEDRO CC(C)n1ncc2cc(C[NH2+]CC3CCC(C#N)CC3)c(Cl)nc21 ZINC000281854068 1028893462 /nfs/dbraw/zinc/89/34/62/1028893462.db2.gz ZKPLEXFKZSWAPK-UHFFFAOYSA-N 1 0 345.878 4.085 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000445994543 1029062149 /nfs/dbraw/zinc/06/21/49/1029062149.db2.gz WXTVQMDFVPFLLL-GVDBMIGSSA-N 1 0 327.390 4.258 20 30 EIEDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000444254147 1029113894 /nfs/dbraw/zinc/11/38/94/1029113894.db2.gz VTWUETOWGPQCRO-WBVHZDCISA-N 1 0 345.512 4.141 20 30 EIEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000444317011 1029207595 /nfs/dbraw/zinc/20/75/95/1029207595.db2.gz NNHNRWKPWMCWGO-KRWDZBQOSA-N 1 0 328.456 4.215 20 30 EIEDRO C[C@@H]1CC([N@@H+]2CCC[C@H](CC#N)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168058789 1029376615 /nfs/dbraw/zinc/37/66/15/1029376615.db2.gz CFNZOZZOPUYCDT-QWFCFKBJSA-N 1 0 325.500 4.054 20 30 EIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C12CCCCC2 ZINC000525127883 1029465521 /nfs/dbraw/zinc/46/55/21/1029465521.db2.gz QXBXILBZSWDVNV-MOPGFXCFSA-N 1 0 330.447 4.257 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)ccc1OC ZINC000475288007 1029501030 /nfs/dbraw/zinc/50/10/30/1029501030.db2.gz QHJDFKPSCQRLTC-HIFRSBDPSA-N 1 0 343.389 4.423 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)CCc2ccc(OC/C=C\C)cc2)CC1 ZINC000468366019 1029559800 /nfs/dbraw/zinc/55/98/00/1029559800.db2.gz CCAJFBWOSZDZGS-UTSMFGRCSA-N 1 0 342.527 4.203 20 30 EIEDRO Cc1cc(N[C@H]2CCC[C@@H](C#N)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000193352406 1029613925 /nfs/dbraw/zinc/61/39/25/1029613925.db2.gz RBNJKHOABSNZKG-MOPGFXCFSA-N 1 0 340.515 4.020 20 30 EIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000329681218 1029635025 /nfs/dbraw/zinc/63/50/25/1029635025.db2.gz YEHAJTDTYQUHFK-OCCSQVGLSA-N 1 0 343.496 4.207 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(OCC#N)cc1 ZINC000192914788 1029647080 /nfs/dbraw/zinc/64/70/80/1029647080.db2.gz KODKQXJKBKDMDO-ZDUSSCGKSA-N 1 0 334.341 4.459 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000657832431 1029653075 /nfs/dbraw/zinc/65/30/75/1029653075.db2.gz CWUVMRGZBOMPSX-UXHICEINSA-N 1 0 326.484 4.034 20 30 EIEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1c1ccccc1 ZINC000129752138 1029657309 /nfs/dbraw/zinc/65/73/09/1029657309.db2.gz PPORAFBTIHICAP-XLIONFOSSA-N 1 0 347.462 4.012 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000573152929 1029679348 /nfs/dbraw/zinc/67/93/48/1029679348.db2.gz BXQDTWMGBBYIIU-UHFFFAOYSA-N 1 0 347.418 4.179 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1 ZINC000348524512 1029688028 /nfs/dbraw/zinc/68/80/28/1029688028.db2.gz IHOPKYFUGAGEIL-UHFFFAOYSA-N 1 0 343.515 4.463 20 30 EIEDRO N#C[C@H]1CC[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690649 1029697151 /nfs/dbraw/zinc/69/71/51/1029697151.db2.gz SESKNVMRKYGSGJ-UGKGYDQZSA-N 1 0 345.490 4.086 20 30 EIEDRO CC(C)(C#N)c1ccccc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000135286734 1029725372 /nfs/dbraw/zinc/72/53/72/1029725372.db2.gz DAIQJRSYXUTJSU-GOSISDBHSA-N 1 0 326.465 4.123 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000657841734 1029750629 /nfs/dbraw/zinc/75/06/29/1029750629.db2.gz JGMYWFRQCKZZCP-UXHICEINSA-N 1 0 326.484 4.034 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000080959053 1029766406 /nfs/dbraw/zinc/76/64/06/1029766406.db2.gz HZJMAAFVMATPNN-FQEVSTJZSA-N 1 0 342.446 4.328 20 30 EIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc2c1CCOC2 ZINC000639643421 1029777838 /nfs/dbraw/zinc/77/78/38/1029777838.db2.gz HRPVLANUUHTNGO-UHFFFAOYSA-N 1 0 339.483 4.115 20 30 EIEDRO CC(C)([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(Cl)c1F ZINC000562847302 1029837467 /nfs/dbraw/zinc/83/74/67/1029837467.db2.gz IHVQRBHLBZXJQH-UHFFFAOYSA-N 1 0 342.805 4.023 20 30 EIEDRO C=C(C)COc1cccc(NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000183609014 1030028239 /nfs/dbraw/zinc/02/82/39/1030028239.db2.gz DLKQOTIUQZYYHK-UHFFFAOYSA-N 1 0 337.467 4.113 20 30 EIEDRO CC[N@H+](Cc1cncn1Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000525833002 1030052786 /nfs/dbraw/zinc/05/27/86/1030052786.db2.gz YKQQIOJLHVXBPZ-SFHVURJKSA-N 1 0 344.462 4.386 20 30 EIEDRO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1CCC(C)(C)C1 ZINC000361472493 1030073072 /nfs/dbraw/zinc/07/30/72/1030073072.db2.gz YAMASRVGYLMDLE-QGZVFWFLSA-N 1 0 347.890 4.097 20 30 EIEDRO C#CCCCCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000367383035 1030100538 /nfs/dbraw/zinc/10/05/38/1030100538.db2.gz AZGQXSDKDFYXOF-FXAWDEMLSA-N 1 0 346.902 4.033 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1 ZINC000447517367 1030115583 /nfs/dbraw/zinc/11/55/83/1030115583.db2.gz SATIVMKNCFSWEE-WOJBJXKFSA-N 1 0 337.467 4.419 20 30 EIEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000185192213 1030122542 /nfs/dbraw/zinc/12/25/42/1030122542.db2.gz UVWWJOAENLHOEA-WOJBJXKFSA-N 1 0 330.472 4.052 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000447530247 1030125166 /nfs/dbraw/zinc/12/51/66/1030125166.db2.gz NVVVYXBZYVSNCG-BEFAXECRSA-N 1 0 338.451 4.247 20 30 EIEDRO CC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000447544424 1030149272 /nfs/dbraw/zinc/14/92/72/1030149272.db2.gz OLIQEIGGCWOURV-KRWDZBQOSA-N 1 0 342.826 4.224 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N(CC)CC)c1ccc(C#N)cc1 ZINC000447545942 1030152130 /nfs/dbraw/zinc/15/21/30/1030152130.db2.gz ZIMYZYIPAFEYHC-RBUKOAKNSA-N 1 0 325.456 4.275 20 30 EIEDRO CC[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000447574799 1030161649 /nfs/dbraw/zinc/16/16/49/1030161649.db2.gz OPQMGSPCGQAVDS-IBGZPJMESA-N 1 0 336.435 4.003 20 30 EIEDRO CC[C@H]([NH2+]CCc1nccn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447562768 1030171327 /nfs/dbraw/zinc/17/13/27/1030171327.db2.gz MXJXAUFFUYJZCD-NRFANRHFSA-N 1 0 344.462 4.086 20 30 EIEDRO CC[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000447586301 1030189555 /nfs/dbraw/zinc/18/95/55/1030189555.db2.gz MCYHHQBLPOHEAS-ACBHZAAOSA-N 1 0 342.483 4.499 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000467521019 1030193249 /nfs/dbraw/zinc/19/32/49/1030193249.db2.gz WXKJHJGYKMBLLC-VQIMIIECSA-N 1 0 334.529 4.240 20 30 EIEDRO C=CCn1c(SCCC[NH+](CC)CC)nnc1-c1ccc(F)cc1 ZINC000526003139 1030209275 /nfs/dbraw/zinc/20/92/75/1030209275.db2.gz IZCYCBAYOPDMFL-UHFFFAOYSA-N 1 0 348.491 4.094 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000185799182 1030224710 /nfs/dbraw/zinc/22/47/10/1030224710.db2.gz LPNQVYMJJYUTNQ-JLJPHGGASA-N 1 0 326.419 4.053 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC([NH+]4CCCC4)CC3)c2c1 ZINC000447694593 1030278811 /nfs/dbraw/zinc/27/88/11/1030278811.db2.gz SCAFIWGEQVVVGD-UHFFFAOYSA-N 1 0 348.494 4.294 20 30 EIEDRO CC[N@H+](Cc1cnc2ccc(Cl)cn12)[C@H](C)c1ccc(C#N)cc1 ZINC000508606183 1030316853 /nfs/dbraw/zinc/31/68/53/1030316853.db2.gz UXFNGALUGSSTOI-CQSZACIVSA-N 1 0 338.842 4.442 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cccc(C#N)c4)C3)nc2c1 ZINC000179187236 1030326632 /nfs/dbraw/zinc/32/66/32/1030326632.db2.gz QLWVKICJEZOAHH-SFHVURJKSA-N 1 0 330.435 4.123 20 30 EIEDRO N#Cc1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000022781889 1030335637 /nfs/dbraw/zinc/33/56/37/1030335637.db2.gz IECHCCWVCPYSFL-UHFFFAOYSA-N 1 0 341.458 4.029 20 30 EIEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451331211 1030409315 /nfs/dbraw/zinc/40/93/15/1030409315.db2.gz NMIGTJXJYWFAGJ-IBGZPJMESA-N 1 0 342.870 4.307 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000188694295 1030417040 /nfs/dbraw/zinc/41/70/40/1030417040.db2.gz QMHQAOHNEYPBOF-OAHLLOKOSA-N 1 0 326.465 4.419 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000189487956 1030471838 /nfs/dbraw/zinc/47/18/38/1030471838.db2.gz HWHPGMIGOIMCLH-OAQYLSRUSA-N 1 0 340.511 4.071 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)c(Cl)c1 ZINC000527135314 1030520286 /nfs/dbraw/zinc/52/02/86/1030520286.db2.gz KAZWMIQNCIWDIW-UHFFFAOYSA-N 1 0 326.827 4.007 20 30 EIEDRO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000448032123 1030528504 /nfs/dbraw/zinc/52/85/04/1030528504.db2.gz WAWDKACRIDTSOI-DLBZAZTESA-N 1 0 336.483 4.169 20 30 EIEDRO CCOc1ccccc1[C@H](CC)[NH2+]CCCC1(C#N)CCOCC1 ZINC000282031523 1030557033 /nfs/dbraw/zinc/55/70/33/1030557033.db2.gz QCRGSVBJLKTFCH-SFHVURJKSA-N 1 0 330.472 4.227 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000191445737 1030626050 /nfs/dbraw/zinc/62/60/50/1030626050.db2.gz LIWNCSXCOIDIQB-WMZOPIPTSA-N 1 0 343.515 4.485 20 30 EIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cncn1Cc1ccccc1 ZINC000527324679 1030633259 /nfs/dbraw/zinc/63/32/59/1030633259.db2.gz BPRBGZRTTTYBMQ-UHFFFAOYSA-N 1 0 331.463 4.162 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccs1 ZINC000527349667 1030640593 /nfs/dbraw/zinc/64/05/93/1030640593.db2.gz BJYUDHIXJFFMLS-IUDNXUCKSA-N 1 0 327.453 4.056 20 30 EIEDRO CC[N@H+](Cc1ccnn1-c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000448334635 1030745911 /nfs/dbraw/zinc/74/59/11/1030745911.db2.gz JLVBBKFHEDKICP-QGZVFWFLSA-N 1 0 330.435 4.327 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000658013250 1030765520 /nfs/dbraw/zinc/76/55/20/1030765520.db2.gz GJOKYIMLXYNNTJ-BZUAXINKSA-N 1 0 346.437 4.044 20 30 EIEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)ccc3ccccc32)C1 ZINC001142388505 1030777783 /nfs/dbraw/zinc/77/77/83/1030777783.db2.gz YOOQHZFSSAGTFY-GOSISDBHSA-N 1 0 338.451 4.025 20 30 EIEDRO C[C@](CO)([NH2+]Cc1ccc(CC#N)cc1)c1cc(Cl)cc(Cl)c1 ZINC000451913559 1030781615 /nfs/dbraw/zinc/78/16/15/1030781615.db2.gz QLIFUXATELNERA-GOSISDBHSA-N 1 0 349.261 4.057 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000658061039 1030802144 /nfs/dbraw/zinc/80/21/44/1030802144.db2.gz RWTZIMCLCRDRJT-KYJSFNMBSA-N 1 0 330.472 4.439 20 30 EIEDRO C[N@H+](CCCCC(C)(C)C#N)C1CCN(CCC(F)(F)F)CC1 ZINC000452108708 1030844556 /nfs/dbraw/zinc/84/45/56/1030844556.db2.gz FKUHNUVZZIBBST-UHFFFAOYSA-N 1 0 333.442 4.055 20 30 EIEDRO CN(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000527811775 1030856226 /nfs/dbraw/zinc/85/62/26/1030856226.db2.gz SLNBCXLYBBHNIW-SFHVURJKSA-N 1 0 348.277 4.258 20 30 EIEDRO Cc1cccc(NCc2cccc(OCc3cccc(C#N)c3)c2)n1 ZINC000237751205 1030866627 /nfs/dbraw/zinc/86/66/27/1030866627.db2.gz LHDKXPNKSGQGNZ-UHFFFAOYSA-N 1 0 329.403 4.453 20 30 EIEDRO Cc1cccnc1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000237757467 1030867030 /nfs/dbraw/zinc/86/70/30/1030867030.db2.gz UZXXDLVYAYDKIT-UHFFFAOYSA-N 1 0 329.403 4.453 20 30 EIEDRO CC(C)([NH2+]Cc1cccc(C#N)c1)c1ccccc1Br ZINC000179329496 1030912504 /nfs/dbraw/zinc/91/25/04/1030912504.db2.gz FXCGIZUKNVIHRV-UHFFFAOYSA-N 1 0 329.241 4.346 20 30 EIEDRO C[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc(C#N)c(F)c1 ZINC000527941615 1030957843 /nfs/dbraw/zinc/95/78/43/1030957843.db2.gz GXSRNBZPTFYACD-RODVOCQOSA-N 1 0 326.802 4.340 20 30 EIEDRO C=CC[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000116927744 1030961534 /nfs/dbraw/zinc/96/15/34/1030961534.db2.gz NDCBZCWYRLWLDT-QGZVFWFLSA-N 1 0 332.451 4.048 20 30 EIEDRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000310056440 1031005773 /nfs/dbraw/zinc/00/57/73/1031005773.db2.gz LIOKEVMYILERAD-HZPDHXFCSA-N 1 0 337.508 4.132 20 30 EIEDRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC001126713063 1031044998 /nfs/dbraw/zinc/04/49/98/1031044998.db2.gz OEWSANAQZWTRRH-QGZVFWFLSA-N 1 0 348.446 4.462 20 30 EIEDRO CCC[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccccn1 ZINC000179465386 1031078290 /nfs/dbraw/zinc/07/82/90/1031078290.db2.gz DHKSYBRPQOWDDP-GOSISDBHSA-N 1 0 325.481 4.317 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000532449621 1031089133 /nfs/dbraw/zinc/08/91/33/1031089133.db2.gz GVHDZQSSKSJJBH-AWEZNQCLSA-N 1 0 341.842 4.027 20 30 EIEDRO C/C(=C\c1ccccc1)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000179561897 1031213544 /nfs/dbraw/zinc/21/35/44/1031213544.db2.gz XGDRFKZLMQPXMW-GHRIWEEISA-N 1 0 347.462 4.336 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000237547466 1031229683 /nfs/dbraw/zinc/22/96/83/1031229683.db2.gz NRMNDSUKQWJKPL-GOSISDBHSA-N 1 0 339.870 4.136 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)cc1OC ZINC000531444986 1031259306 /nfs/dbraw/zinc/25/93/06/1031259306.db2.gz SGIDUSLROLGXBQ-UHFFFAOYSA-N 1 0 327.399 4.178 20 30 EIEDRO COc1ccc(C[C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000545241699 1031363826 /nfs/dbraw/zinc/36/38/26/1031363826.db2.gz XBAKUGWVEBRQFN-OAHLLOKOSA-N 1 0 347.380 4.286 20 30 EIEDRO C#CCN(Cc1ccc(SCC)cc1Br)CC1CC1 ZINC001168233968 1031384848 /nfs/dbraw/zinc/38/48/48/1031384848.db2.gz ITVIFFQFSHMMED-UHFFFAOYSA-N 1 0 338.314 4.406 20 30 EIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000119999822 1031421022 /nfs/dbraw/zinc/42/10/22/1031421022.db2.gz GJTFFYIZNINYEI-NSHDSACASA-N 1 0 331.407 4.281 20 30 EIEDRO C[C@@H](NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000449073715 1031429798 /nfs/dbraw/zinc/42/97/98/1031429798.db2.gz NSJSLHVQQWPWIB-RBUKOAKNSA-N 1 0 347.506 4.304 20 30 EIEDRO CCCCOc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1OC ZINC000449080646 1031438859 /nfs/dbraw/zinc/43/88/59/1031438859.db2.gz XYSMUEONRKCNGH-UHFFFAOYSA-N 1 0 330.472 4.436 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCCc2nc(-c3ccncc3)cs2)CC1 ZINC000449138696 1031476086 /nfs/dbraw/zinc/47/60/86/1031476086.db2.gz IWXWXLOVGNVQHB-UHFFFAOYSA-N 1 0 340.496 4.200 20 30 EIEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000531702438 1031484335 /nfs/dbraw/zinc/48/43/35/1031484335.db2.gz VJIRQTXOPCSDGZ-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3ccccc3Br)CC2)c1 ZINC000236571030 1031509838 /nfs/dbraw/zinc/50/98/38/1031509838.db2.gz BPDMDLUVKRFSHI-UHFFFAOYSA-N 1 0 347.281 4.204 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccccc3Br)CC2)cc1 ZINC000236571063 1031512405 /nfs/dbraw/zinc/51/24/05/1031512405.db2.gz RYJFCZQOAMYKAG-UHFFFAOYSA-N 1 0 341.252 4.142 20 30 EIEDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000124225465 1031517050 /nfs/dbraw/zinc/51/70/50/1031517050.db2.gz BOKMYOZJDUHMFH-HRAATJIYSA-N 1 0 336.435 4.323 20 30 EIEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1cc(C#N)cs1 ZINC000236606137 1031533947 /nfs/dbraw/zinc/53/39/47/1031533947.db2.gz SUTVUOSSLPOGJI-QGZVFWFLSA-N 1 0 332.444 4.342 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000449214048 1031540562 /nfs/dbraw/zinc/54/05/62/1031540562.db2.gz LKAOHEUTQCUTIU-FVRSWCFKSA-N 1 0 335.854 4.120 20 30 EIEDRO CN1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000449212964 1031540630 /nfs/dbraw/zinc/54/06/30/1031540630.db2.gz JNHFQVYGFTXPLF-YBXZHIRMSA-N 1 0 331.891 4.147 20 30 EIEDRO C=CCOCC[N@@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC001168252744 1031546555 /nfs/dbraw/zinc/54/65/55/1031546555.db2.gz SBNJXRLTKLCFNP-UHFFFAOYSA-N 1 0 333.472 4.041 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](c1nccn1C)c1ccc(OC)cc1 ZINC000449218078 1031552698 /nfs/dbraw/zinc/55/26/98/1031552698.db2.gz FFTQCVAWSBLVPM-VQIMIIECSA-N 1 0 327.472 4.243 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+][C@H](c1nccn1C)c1ccc(OC)cc1 ZINC000449218076 1031553257 /nfs/dbraw/zinc/55/32/57/1031553257.db2.gz FFTQCVAWSBLVPM-LPHOPBHVSA-N 1 0 327.472 4.243 20 30 EIEDRO C[C@H]([NH2+]Cc1ccnc(C#N)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000612489836 1031579826 /nfs/dbraw/zinc/57/98/26/1031579826.db2.gz UCNYEGHKWCJINL-OLZOCXBDSA-N 1 0 333.357 4.254 20 30 EIEDRO Cn1cc(C[N@H+](Cc2ccccc2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179908009 1031597235 /nfs/dbraw/zinc/59/72/35/1031597235.db2.gz NRJPGCOJCPDIEB-UHFFFAOYSA-N 1 0 342.446 4.123 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)C2CCCCC2)ccc1OC ZINC000177332036 1031615823 /nfs/dbraw/zinc/61/58/23/1031615823.db2.gz SVYBKQMWCCVALN-MAUKXSAKSA-N 1 0 330.472 4.435 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000449323753 1031638277 /nfs/dbraw/zinc/63/82/77/1031638277.db2.gz WTNNPKDJEULMLN-BLDCVEFLSA-N 1 0 341.282 4.479 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000449345499 1031641816 /nfs/dbraw/zinc/64/18/16/1031641816.db2.gz WBXUHRJLEVSDKQ-ICXUMSERSA-N 1 0 326.419 4.134 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000065980724 1031653214 /nfs/dbraw/zinc/65/32/14/1031653214.db2.gz CFASBXKEHZGPKU-UHFFFAOYSA-N 1 0 334.847 4.374 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000532654502 1031678749 /nfs/dbraw/zinc/67/87/49/1031678749.db2.gz VARUVOZMZFTIBT-HXUWFJFHSA-N 1 0 348.446 4.098 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc(C(F)(F)F)n2)c1 ZINC000449399553 1031702666 /nfs/dbraw/zinc/70/26/66/1031702666.db2.gz BPPUUZPDJAQTQO-UHFFFAOYSA-N 1 0 349.356 4.073 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000449438290 1031758991 /nfs/dbraw/zinc/75/89/91/1031758991.db2.gz PKEGSXYADFSYTK-SFHVURJKSA-N 1 0 348.368 4.099 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000449478118 1031777035 /nfs/dbraw/zinc/77/70/35/1031777035.db2.gz JVFKGYBBPNTORC-CQSZACIVSA-N 1 0 338.373 4.016 20 30 EIEDRO C=CC(C)(C)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000449487149 1031797937 /nfs/dbraw/zinc/79/79/37/1031797937.db2.gz XFZGYBWRHMTKSF-UHFFFAOYSA-N 1 0 346.478 4.295 20 30 EIEDRO CC(C)[C@H]1C[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC000449500996 1031809239 /nfs/dbraw/zinc/80/92/39/1031809239.db2.gz VPMHGFRKMIOHOG-PMJAUZGISA-N 1 0 340.511 4.431 20 30 EIEDRO COc1cccc(C[C@H]2CCCCC[N@@H+]2Cc2nc(C#N)cs2)c1 ZINC000528752658 1031828160 /nfs/dbraw/zinc/82/81/60/1031828160.db2.gz YOUREXNNEHRASJ-QGZVFWFLSA-N 1 0 341.480 4.011 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000453348681 1031874811 /nfs/dbraw/zinc/87/48/11/1031874811.db2.gz HZHQCRVFRSIDLB-XKQJLSEDSA-N 1 0 328.481 4.421 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000453365238 1031905818 /nfs/dbraw/zinc/90/58/18/1031905818.db2.gz RFSXSDQFPLECHV-HZPDHXFCSA-N 1 0 346.471 4.243 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000453366575 1031909502 /nfs/dbraw/zinc/90/95/02/1031909502.db2.gz RMAODHGHQVEYRH-VYDXJSESSA-N 1 0 344.455 4.260 20 30 EIEDRO C=CCC1(C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)CCCC1 ZINC000453370241 1031915375 /nfs/dbraw/zinc/91/53/75/1031915375.db2.gz NFGIXUNRFNJVRE-HXUWFJFHSA-N 1 0 326.484 4.206 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)CCS2 ZINC000453371368 1031916976 /nfs/dbraw/zinc/91/69/76/1031916976.db2.gz GBENOBVDDWQHQK-QGZVFWFLSA-N 1 0 328.412 4.033 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000453371782 1031917980 /nfs/dbraw/zinc/91/79/80/1031917980.db2.gz UXUZBSQRDHLALB-BLLLJJGKSA-N 1 0 334.460 4.235 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)cc1F ZINC000453392052 1031956493 /nfs/dbraw/zinc/95/64/93/1031956493.db2.gz UFPOKAQEOUXQEZ-FOIQADDNSA-N 1 0 342.389 4.094 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000449732944 1031958827 /nfs/dbraw/zinc/95/88/27/1031958827.db2.gz MWLVEEYLAZJNCV-ZFWWWQNUSA-N 1 0 331.872 4.484 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1OCC(C)C ZINC000449733129 1031959061 /nfs/dbraw/zinc/95/90/61/1031959061.db2.gz GKOAOIDTWVTPJR-UHFFFAOYSA-N 1 0 342.414 4.031 20 30 EIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000453608330 1032043692 /nfs/dbraw/zinc/04/36/92/1032043692.db2.gz GQOUVWBFFVBPGZ-OAHLLOKOSA-N 1 0 336.277 4.311 20 30 EIEDRO CCCN(C)[C@H](C[NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000512574428 1033404346 /nfs/dbraw/zinc/40/43/46/1033404346.db2.gz RGQMCUHKAZPRBD-GOSISDBHSA-N 1 0 347.915 4.446 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)o1 ZINC000512572585 1033408727 /nfs/dbraw/zinc/40/87/27/1033408727.db2.gz IGZIQJLZRDJZPA-GOSISDBHSA-N 1 0 330.815 4.062 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000512636229 1033578317 /nfs/dbraw/zinc/57/83/17/1033578317.db2.gz KOEWESLLMQOORP-GOEBONIOSA-N 1 0 341.405 4.156 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512637195 1033581375 /nfs/dbraw/zinc/58/13/75/1033581375.db2.gz SMJPMMBYUTWENW-KXBFYZLASA-N 1 0 341.430 4.168 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@@H](CC)C2)ccc1OC ZINC000236947801 1033584034 /nfs/dbraw/zinc/58/40/34/1033584034.db2.gz LOMYRBLJEQCDII-NJAFHUGGSA-N 1 0 330.472 4.435 20 30 EIEDRO COC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(F)c(F)c1 ZINC000614178917 1033589304 /nfs/dbraw/zinc/58/93/04/1033589304.db2.gz IQDNAKQJLSKLFY-IBGZPJMESA-N 1 0 344.405 4.243 20 30 EIEDRO Cc1csc([C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C2CC2)n1 ZINC000614182647 1033623982 /nfs/dbraw/zinc/62/39/82/1033623982.db2.gz CPNCYDHPXDDEDJ-KRWDZBQOSA-N 1 0 325.481 4.494 20 30 EIEDRO Cc1csc([C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C2CC2)n1 ZINC000614182649 1033624307 /nfs/dbraw/zinc/62/43/07/1033624307.db2.gz CPNCYDHPXDDEDJ-QGZVFWFLSA-N 1 0 325.481 4.494 20 30 EIEDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614186055 1033638895 /nfs/dbraw/zinc/63/88/95/1033638895.db2.gz OSMDQKLFCHAUHD-GOSISDBHSA-N 1 0 342.483 4.041 20 30 EIEDRO C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512659357 1033645786 /nfs/dbraw/zinc/64/57/86/1033645786.db2.gz FZPGVLRNMMNLNE-MRXNPFEDSA-N 1 0 337.442 4.013 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(C#N)cc1F ZINC000512661369 1033652138 /nfs/dbraw/zinc/65/21/38/1033652138.db2.gz RODMIASVKRZSGF-LSDHHAIUSA-N 1 0 334.398 4.295 20 30 EIEDRO CC(C)N(C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000433017909 1033664973 /nfs/dbraw/zinc/66/49/73/1033664973.db2.gz BKPCVHCPYFDFLL-HXUWFJFHSA-N 1 0 341.499 4.191 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512672484 1033680620 /nfs/dbraw/zinc/68/06/20/1033680620.db2.gz KZJCKDHOVZQNPU-CABCVRRESA-N 1 0 326.415 4.378 20 30 EIEDRO COC(=O)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000433029564 1033695819 /nfs/dbraw/zinc/69/58/19/1033695819.db2.gz BXNVKSQFBPWMPL-INIZCTEOSA-N 1 0 328.437 4.059 20 30 EIEDRO CCc1oc(C(=O)OC)cc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433032757 1033704074 /nfs/dbraw/zinc/70/40/74/1033704074.db2.gz BYXZSKWAOYTPHF-QGZVFWFLSA-N 1 0 340.423 4.153 20 30 EIEDRO CCOc1ccccc1OCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000542317272 1033840766 /nfs/dbraw/zinc/84/07/66/1033840766.db2.gz VHIBHXMXKPLLLD-UHFFFAOYSA-N 1 0 336.435 4.000 20 30 EIEDRO C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCCC#N ZINC000178769537 1033953426 /nfs/dbraw/zinc/95/34/26/1033953426.db2.gz QSRDPHSXWRPHGY-IRXDYDNUSA-N 1 0 337.508 4.228 20 30 EIEDRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512797442 1033963552 /nfs/dbraw/zinc/96/35/52/1033963552.db2.gz OJDBKRXTKYEKCP-CQSZACIVSA-N 1 0 342.389 4.441 20 30 EIEDRO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1ccc(C#N)cc1 ZINC000500900573 1034002550 /nfs/dbraw/zinc/00/25/50/1034002550.db2.gz WZXGWCQAHCUXGC-QFIPXVFZSA-N 1 0 347.506 4.121 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000512913896 1034185460 /nfs/dbraw/zinc/18/54/60/1034185460.db2.gz UIXLYLOCSIOKGI-ROUUACIJSA-N 1 0 347.384 4.341 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000513040794 1034349161 /nfs/dbraw/zinc/34/91/61/1034349161.db2.gz LCDGRPLCONPYPL-KFKAGJAMSA-N 1 0 326.465 4.061 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000513059016 1034382273 /nfs/dbraw/zinc/38/22/73/1034382273.db2.gz VBIINWGHYOABGF-IOMROCGXSA-N 1 0 338.426 4.138 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000614401861 1034545243 /nfs/dbraw/zinc/54/52/43/1034545243.db2.gz KTLFJFSQEYIEJR-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)cc1OC ZINC000513101449 1034579505 /nfs/dbraw/zinc/57/95/05/1034579505.db2.gz RAJPMKJHGLJRDZ-UHFFFAOYSA-N 1 0 336.435 4.340 20 30 EIEDRO C(=[NH+]NCCCOc1ccccc1)c1ccc(N2CCCCC2)s1 ZINC000729148904 1034728230 /nfs/dbraw/zinc/72/82/30/1034728230.db2.gz FUGNMFPOZNLVGE-UHFFFAOYSA-N 1 0 343.496 4.131 20 30 EIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000729267404 1034768527 /nfs/dbraw/zinc/76/85/27/1034768527.db2.gz VEAFWAZNYVKOLU-NRFANRHFSA-N 1 0 336.435 4.325 20 30 EIEDRO N#CC1(c2ccc(Br)cc2)CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167938340 1034768733 /nfs/dbraw/zinc/76/87/33/1034768733.db2.gz DQGINQGZBRPBOT-XOIINTDNSA-N 1 0 345.284 4.105 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000513215547 1034839439 /nfs/dbraw/zinc/83/94/39/1034839439.db2.gz ORISOIMEDSDWSW-ZIAGYGMSSA-N 1 0 342.405 4.169 20 30 EIEDRO COc1ccc(C#N)cc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513354037 1034888813 /nfs/dbraw/zinc/88/88/13/1034888813.db2.gz YHKBTCHIOOGMQD-VQIMIIECSA-N 1 0 335.451 4.032 20 30 EIEDRO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000513404770 1034918792 /nfs/dbraw/zinc/91/87/92/1034918792.db2.gz ACEMBCZIKHHJGD-VQIMIIECSA-N 1 0 336.435 4.171 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000513501821 1034997939 /nfs/dbraw/zinc/99/79/39/1034997939.db2.gz VSSPHIAIOYUELQ-SFHVURJKSA-N 1 0 344.430 4.347 20 30 EIEDRO Cc1ccc(CNC2(c3cccc(C#N)c3)CC2)c(Br)c1 ZINC000513524378 1035005987 /nfs/dbraw/zinc/00/59/87/1035005987.db2.gz GGTIAKAJGBFMMA-UHFFFAOYSA-N 1 0 341.252 4.408 20 30 EIEDRO CCN(CCC#N)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000345299390 1035188572 /nfs/dbraw/zinc/18/85/72/1035188572.db2.gz IRDLAQJIPXJKLL-UHFFFAOYSA-N 1 0 330.453 4.071 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280168625 1035192007 /nfs/dbraw/zinc/19/20/07/1035192007.db2.gz FTKFHXMSXAHOMM-HCKVZZMMSA-N 1 0 346.780 4.064 20 30 EIEDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000280234316 1035209250 /nfs/dbraw/zinc/20/92/50/1035209250.db2.gz MRTPTWRJUGWANA-UHFFFAOYSA-N 1 0 348.425 4.193 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(C#N)cc1 ZINC000280235269 1035210250 /nfs/dbraw/zinc/21/02/50/1035210250.db2.gz VNCGKNYOIIBOFQ-RYUDHWBXSA-N 1 0 330.229 4.128 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000513702265 1035329811 /nfs/dbraw/zinc/32/98/11/1035329811.db2.gz GZFKHRLZZIXYLL-QFIPXVFZSA-N 1 0 331.463 4.268 20 30 EIEDRO N#Cc1csc(CSCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000419618619 1035387108 /nfs/dbraw/zinc/38/71/08/1035387108.db2.gz OWUDJBZPUNARSG-UHFFFAOYSA-N 1 0 343.521 4.434 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000513712390 1035422232 /nfs/dbraw/zinc/42/22/32/1035422232.db2.gz BTHAHXKIMVSJCX-HJZRJOMTSA-N 1 0 330.447 4.366 20 30 EIEDRO Cc1ccnc([C@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000513712977 1035440350 /nfs/dbraw/zinc/44/03/50/1035440350.db2.gz IKFHNQKAYFNCHW-IVMQYODDSA-N 1 0 335.451 4.303 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000501575345 1035471964 /nfs/dbraw/zinc/47/19/64/1035471964.db2.gz MOAOQBSIGCRWDL-UHFFFAOYSA-N 1 0 349.544 4.100 20 30 EIEDRO CCCc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000594985600 1035516744 /nfs/dbraw/zinc/51/67/44/1035516744.db2.gz ZOSMKMILOMTXTE-UHFFFAOYSA-N 1 0 334.463 4.306 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)C2CCC(F)CC2)cc1OCCCC#N ZINC000594990994 1035517746 /nfs/dbraw/zinc/51/77/46/1035517746.db2.gz WZTOQZCUOYFWAG-FAEJEUNOSA-N 1 0 348.462 4.384 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c(C(F)(F)F)c1 ZINC000594994495 1035519708 /nfs/dbraw/zinc/51/97/08/1035519708.db2.gz GSMDTZMMTULKSO-CGTJXYLNSA-N 1 0 346.327 4.144 20 30 EIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Br)c(Cl)c1 ZINC000595054812 1035536710 /nfs/dbraw/zinc/53/67/10/1035536710.db2.gz POWPWCWWFCYVAP-SNVBAGLBSA-N 1 0 327.653 4.447 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cncc(Br)c1)c1ccc(C#N)cc1 ZINC000595010546 1035535990 /nfs/dbraw/zinc/53/59/90/1035535990.db2.gz XZWGWZXCYKNGJZ-VXGBXAGGSA-N 1 0 330.229 4.128 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000237090956 1035581145 /nfs/dbraw/zinc/58/11/45/1035581145.db2.gz RAVMHFJXAURTCN-HNNXBMFYSA-N 1 0 326.465 4.148 20 30 EIEDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000595086321 1035594999 /nfs/dbraw/zinc/59/49/99/1035594999.db2.gz MOFOWDFALXMYTN-ILWGZMRPSA-N 1 0 348.494 4.060 20 30 EIEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000595092187 1035597280 /nfs/dbraw/zinc/59/72/80/1035597280.db2.gz YPXSYWJHONCGBU-AWEZNQCLSA-N 1 0 325.456 4.041 20 30 EIEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595091673 1035601283 /nfs/dbraw/zinc/60/12/83/1035601283.db2.gz TUCCWRBLQWXJTF-MRXNPFEDSA-N 1 0 327.472 4.030 20 30 EIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCc1ccc(C#N)cc1)CCC2 ZINC000595383469 1035669601 /nfs/dbraw/zinc/66/96/01/1035669601.db2.gz OOWXKSZLZLWLJD-KRWDZBQOSA-N 1 0 325.481 4.129 20 30 EIEDRO CCC[N@H+](CCc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000595482672 1035679080 /nfs/dbraw/zinc/67/90/80/1035679080.db2.gz UGJYSSGJTXPFQT-GOSISDBHSA-N 1 0 349.478 4.148 20 30 EIEDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595485935 1035684035 /nfs/dbraw/zinc/68/40/35/1035684035.db2.gz ZNCAEJPSSFPVOW-GJZGRUSLSA-N 1 0 328.403 4.341 20 30 EIEDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000595602881 1035744917 /nfs/dbraw/zinc/74/49/17/1035744917.db2.gz XMMNSDKBRABXNX-HUUCEWRRSA-N 1 0 333.501 4.140 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC4(CCCC4)CC3)o2)cc1 ZINC000595643328 1035753715 /nfs/dbraw/zinc/75/37/15/1035753715.db2.gz XPZLGJUAKCPEIT-UHFFFAOYSA-N 1 0 336.439 4.155 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595790208 1035791592 /nfs/dbraw/zinc/79/15/92/1035791592.db2.gz VBOZXQILEPVZBU-AZUAARDMSA-N 1 0 326.484 4.269 20 30 EIEDRO C=CCC1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000595779625 1035793396 /nfs/dbraw/zinc/79/33/96/1035793396.db2.gz CHKKCJPLORKHQK-UHFFFAOYSA-N 1 0 327.384 4.228 20 30 EIEDRO C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595889542 1035802530 /nfs/dbraw/zinc/80/25/30/1035802530.db2.gz JFKRUDKWQNRBMB-XJKSGUPXSA-N 1 0 340.389 4.029 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593126563 1035807046 /nfs/dbraw/zinc/80/70/46/1035807046.db2.gz WHNLRFVQUCGRMS-FKBYEOEOSA-N 1 0 332.447 4.361 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c1F ZINC000595877522 1035807214 /nfs/dbraw/zinc/80/72/14/1035807214.db2.gz IIMNKGSLMZMFMG-UHFFFAOYSA-N 1 0 334.394 4.138 20 30 EIEDRO CC(C)(C[NH2+]Cc1cccc(OCCCC#N)c1)CC(F)(F)F ZINC000596064596 1035817834 /nfs/dbraw/zinc/81/78/34/1035817834.db2.gz XPZVEUQSUGLAAZ-UHFFFAOYSA-N 1 0 328.378 4.437 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000596067346 1035818574 /nfs/dbraw/zinc/81/85/74/1035818574.db2.gz WUMYUHVFSFRYTR-DYVFJYSZSA-N 1 0 346.272 4.250 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000596067350 1035819714 /nfs/dbraw/zinc/81/97/14/1035819714.db2.gz WUMYUHVFSFRYTR-SUMWQHHRSA-N 1 0 346.272 4.250 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)ccn1 ZINC000586776381 1035834246 /nfs/dbraw/zinc/83/42/46/1035834246.db2.gz GPLZCPFOHWLIHH-ROUUACIJSA-N 1 0 345.368 4.398 20 30 EIEDRO C=CCSc1ccccc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000485461695 1035894535 /nfs/dbraw/zinc/89/45/35/1035894535.db2.gz FXPMOTCXJYFBSB-UHFFFAOYSA-N 1 0 326.465 4.279 20 30 EIEDRO Cc1ccccc1[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593184098 1035895583 /nfs/dbraw/zinc/89/55/83/1035895583.db2.gz VJAAFZKXVWMVRT-SFHVURJKSA-N 1 0 333.479 4.182 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1sccc1Br ZINC000570926774 1035895615 /nfs/dbraw/zinc/89/56/15/1035895615.db2.gz HWYFVKPGWVKLPL-LLVKDONJSA-N 1 0 335.270 4.427 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@H](SC)C2)ccc1OC ZINC000237150661 1035902904 /nfs/dbraw/zinc/90/29/04/1035902904.db2.gz GXNFFMVFERYMEM-SJORKVTESA-N 1 0 335.513 4.414 20 30 EIEDRO C=CCSc1ccccc1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000485477307 1035910410 /nfs/dbraw/zinc/91/04/10/1035910410.db2.gz GWMFNTUYIDFJEE-BRWVUGGUSA-N 1 0 346.540 4.061 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000420994709 1035925402 /nfs/dbraw/zinc/92/54/02/1035925402.db2.gz NMDPUZXKRYLXMK-FQEVSTJZSA-N 1 0 332.447 4.105 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000060372176 1036036412 /nfs/dbraw/zinc/03/64/12/1036036412.db2.gz NQLRFYUBQYTEFW-QGZVFWFLSA-N 1 0 328.847 4.102 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2ccccc2)cc1 ZINC000571490384 1036057104 /nfs/dbraw/zinc/05/71/04/1036057104.db2.gz ZDRLXOBGAIQKQP-FQEVSTJZSA-N 1 0 333.435 4.114 20 30 EIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000596995496 1036072144 /nfs/dbraw/zinc/07/21/44/1036072144.db2.gz IKJVYHBLYQRQNY-HXUWFJFHSA-N 1 0 330.472 4.006 20 30 EIEDRO N#CCC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000597083722 1036098538 /nfs/dbraw/zinc/09/85/38/1036098538.db2.gz VMIGVCJKAFECRE-UHFFFAOYSA-N 1 0 325.387 4.139 20 30 EIEDRO CCc1cccc2cc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)oc21 ZINC000597130896 1036113194 /nfs/dbraw/zinc/11/31/94/1036113194.db2.gz ISGCYIKHGNZKEP-UHFFFAOYSA-N 1 0 345.446 4.448 20 30 EIEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000597137695 1036119879 /nfs/dbraw/zinc/11/98/79/1036119879.db2.gz XLDVVQSXJTTZMO-IBGZPJMESA-N 1 0 340.854 4.061 20 30 EIEDRO N#CC1(c2ccc(C[NH+]3CCC(CCCn4ccnc4)CC3)cc2)CC1 ZINC000597126395 1036124512 /nfs/dbraw/zinc/12/45/12/1036124512.db2.gz BHSDAZXAZKZYOB-UHFFFAOYSA-N 1 0 348.494 4.131 20 30 EIEDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccs1 ZINC000597149489 1036128949 /nfs/dbraw/zinc/12/89/49/1036128949.db2.gz LHPUPDAPSSDXAJ-GOSISDBHSA-N 1 0 340.492 4.153 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CC(C)(C)CCC#N)Cc2ccccc21 ZINC000597174748 1036141881 /nfs/dbraw/zinc/14/18/81/1036141881.db2.gz UPGXTIMCEIWYIL-GOSISDBHSA-N 1 0 342.483 4.257 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000597176527 1036142338 /nfs/dbraw/zinc/14/23/38/1036142338.db2.gz IINLIBHIHTYEIA-CQSZACIVSA-N 1 0 348.372 4.017 20 30 EIEDRO CC(C)(C)OC(=O)[C@H]1C[N@H+](CC(C)(C)CCC#N)Cc2ccccc21 ZINC000597174750 1036143789 /nfs/dbraw/zinc/14/37/89/1036143789.db2.gz UPGXTIMCEIWYIL-SFHVURJKSA-N 1 0 342.483 4.257 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@@H](SC)C2)ccc1OC ZINC000237180281 1036179802 /nfs/dbraw/zinc/17/98/02/1036179802.db2.gz GXNFFMVFERYMEM-DLBZAZTESA-N 1 0 335.513 4.414 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2CC)c1 ZINC000502430115 1036192461 /nfs/dbraw/zinc/19/24/61/1036192461.db2.gz GBPOYNFHCUDEKO-SFHVURJKSA-N 1 0 345.487 4.028 20 30 EIEDRO C=CCN(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000502471288 1036231748 /nfs/dbraw/zinc/23/17/48/1036231748.db2.gz WAVXSMURRKRRIG-INIZCTEOSA-N 1 0 342.870 4.033 20 30 EIEDRO N#CC1(CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCCC1 ZINC000597464858 1036251337 /nfs/dbraw/zinc/25/13/37/1036251337.db2.gz WAWKSGWSBFJFEI-UHFFFAOYSA-N 1 0 339.483 4.128 20 30 EIEDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421325900 1036275933 /nfs/dbraw/zinc/27/59/33/1036275933.db2.gz MPIQVSMQOGAXNX-CQSZACIVSA-N 1 0 344.455 4.224 20 30 EIEDRO C=CCC1([NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CCOCC1 ZINC000668551514 1036290167 /nfs/dbraw/zinc/29/01/67/1036290167.db2.gz PGROJZWSILXKSO-AWEZNQCLSA-N 1 0 327.390 4.351 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000421347888 1036295196 /nfs/dbraw/zinc/29/51/96/1036295196.db2.gz DOXYXDRGBWUVBW-AWEZNQCLSA-N 1 0 341.480 4.250 20 30 EIEDRO N#CCCCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000588248589 1036302795 /nfs/dbraw/zinc/30/27/95/1036302795.db2.gz SPJFKVFTEORFTP-GOSISDBHSA-N 1 0 347.890 4.067 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000588232185 1036305320 /nfs/dbraw/zinc/30/53/20/1036305320.db2.gz RTDQOVHNOXBIQE-HNNXBMFYSA-N 1 0 339.252 4.495 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000502536707 1036309299 /nfs/dbraw/zinc/30/92/99/1036309299.db2.gz YQQNJLMHLAJNMD-FQEVSTJZSA-N 1 0 342.414 4.072 20 30 EIEDRO CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000906628113 1036363881 /nfs/dbraw/zinc/36/38/81/1036363881.db2.gz MJALTCQKTFTOFT-HOTGVXAUSA-N 1 0 345.512 4.141 20 30 EIEDRO CCc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)c2ccccc2[nH+]1 ZINC000761246112 1036388865 /nfs/dbraw/zinc/38/88/65/1036388865.db2.gz QPUDVCSQVVEEII-QFIPXVFZSA-N 1 0 343.430 4.247 20 30 EIEDRO CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@@H](C)CCC#N ZINC000602433578 1036449332 /nfs/dbraw/zinc/44/93/32/1036449332.db2.gz MYZKBYDHDTTYFZ-ZDUSSCGKSA-N 1 0 346.862 4.141 20 30 EIEDRO CCOc1ccc(Oc2cc(C[NH2+]C[C@H](C)CCC#N)ccn2)cc1 ZINC000602517267 1036474879 /nfs/dbraw/zinc/47/48/79/1036474879.db2.gz DWXGOYHGRZLZDZ-MRXNPFEDSA-N 1 0 339.439 4.302 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000602512478 1036485607 /nfs/dbraw/zinc/48/56/07/1036485607.db2.gz BRBBDRXCHQSTHO-KRWDZBQOSA-N 1 0 344.474 4.326 20 30 EIEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]C1CCC(C#N)CC1 ZINC000602530784 1036493712 /nfs/dbraw/zinc/49/37/12/1036493712.db2.gz SQPKTCGWYRRKOT-KTAKPFMOSA-N 1 0 335.289 4.442 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(C#N)CC2)c(OC2CCCC2)c1 ZINC000602563914 1036495925 /nfs/dbraw/zinc/49/59/25/1036495925.db2.gz IANMURMTOHSBIL-UHFFFAOYSA-N 1 0 328.456 4.189 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000602572817 1036500869 /nfs/dbraw/zinc/50/08/69/1036500869.db2.gz TXKPFEJAWRNQTO-PBHICJAKSA-N 1 0 346.446 4.116 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000602574725 1036506496 /nfs/dbraw/zinc/50/64/96/1036506496.db2.gz YTTZDSZKBKULEM-RYUDHWBXSA-N 1 0 327.241 4.049 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)Cc1cc(Br)ccc1F ZINC000602581332 1036509185 /nfs/dbraw/zinc/50/91/85/1036509185.db2.gz IBQSOWQQXBJVCR-RYUDHWBXSA-N 1 0 327.241 4.049 20 30 EIEDRO CN1CC[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000602578937 1036510015 /nfs/dbraw/zinc/51/00/15/1036510015.db2.gz PWXKAITYDHMZPM-WMRSZRGNSA-N 1 0 349.881 4.144 20 30 EIEDRO C[C@@H]([NH2+]C1CC(n2cccn2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000602603312 1036523378 /nfs/dbraw/zinc/52/33/78/1036523378.db2.gz XRTGDCGBCGJVHY-NYYVNYEXSA-N 1 0 342.446 4.476 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCCCc1ccc(F)cc1 ZINC000602622634 1036524666 /nfs/dbraw/zinc/52/46/66/1036524666.db2.gz BFAQNIFENHZVAE-QGZVFWFLSA-N 1 0 332.463 4.227 20 30 EIEDRO Cc1cc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)oc1C ZINC000502706250 1036530208 /nfs/dbraw/zinc/53/02/08/1036530208.db2.gz FRPPTYFZIHTPMC-YOEHRIQHSA-N 1 0 341.430 4.227 20 30 EIEDRO C[C@H](CCC#N)C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000602643358 1036537473 /nfs/dbraw/zinc/53/74/73/1036537473.db2.gz PWGVGUPKFZHXMC-OAHLLOKOSA-N 1 0 330.863 4.016 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)n1 ZINC000602651140 1036544323 /nfs/dbraw/zinc/54/43/23/1036544323.db2.gz PNJRSMAQONNECY-LJQANCHMSA-N 1 0 327.378 4.015 20 30 EIEDRO COC(=O)c1csc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000602672602 1036548804 /nfs/dbraw/zinc/54/88/04/1036548804.db2.gz ZHJIXNXIBWSIBM-KRWDZBQOSA-N 1 0 328.437 4.059 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)NCC2(C#N)CCCCC2)cc1)C(C)C ZINC000598309018 1036575409 /nfs/dbraw/zinc/57/54/09/1036575409.db2.gz UUYGKKCTCDNMFY-UHFFFAOYSA-N 1 0 341.499 4.121 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000502727887 1036582736 /nfs/dbraw/zinc/58/27/36/1036582736.db2.gz SDYIYYXTMVPPMQ-OAHLLOKOSA-N 1 0 326.444 4.261 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000602723064 1036595887 /nfs/dbraw/zinc/59/58/87/1036595887.db2.gz LLVFVSVQICGWGY-CYBMUJFWSA-N 1 0 332.831 4.275 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000588960029 1036622344 /nfs/dbraw/zinc/62/23/44/1036622344.db2.gz XVJKYQNSHINYAD-BAGYTPMASA-N 1 0 332.447 4.446 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602884075 1036659853 /nfs/dbraw/zinc/65/98/53/1036659853.db2.gz BJDOVPUVTQYXAU-BEFAXECRSA-N 1 0 328.419 4.052 20 30 EIEDRO CC1=Nc2ccccc2C12CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000602866077 1036660407 /nfs/dbraw/zinc/66/04/07/1036660407.db2.gz SUASVSBFXSIEKF-UHFFFAOYSA-N 1 0 333.410 4.337 20 30 EIEDRO CC1=Nc2ccccc2C12CC[NH+](Cc1ccc(CC#N)cc1)CC2 ZINC000602867539 1036661340 /nfs/dbraw/zinc/66/13/40/1036661340.db2.gz ZVPUQYOBKNJZEL-UHFFFAOYSA-N 1 0 329.447 4.392 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)nc1 ZINC000602909257 1036664244 /nfs/dbraw/zinc/66/42/44/1036664244.db2.gz KTQBACZDLHNKBX-UHFFFAOYSA-N 1 0 346.409 4.020 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502795577 1036667618 /nfs/dbraw/zinc/66/76/18/1036667618.db2.gz YAYUTOUTVHXBCS-UHFFFAOYSA-N 1 0 349.563 4.417 20 30 EIEDRO CC[C@@](C)([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000602927537 1036672921 /nfs/dbraw/zinc/67/29/21/1036672921.db2.gz UJGJITKROHVGDD-GOSISDBHSA-N 1 0 345.443 4.002 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979158 1036687660 /nfs/dbraw/zinc/68/76/60/1036687660.db2.gz ANAPWIYPMYIMHP-WIYYLYMNSA-N 1 0 347.462 4.306 20 30 EIEDRO CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000598586055 1036706672 /nfs/dbraw/zinc/70/66/72/1036706672.db2.gz CTMMPPUDLYWDME-CZUORRHYSA-N 1 0 342.405 4.389 20 30 EIEDRO CC(C)OCCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000060959504 1036710271 /nfs/dbraw/zinc/71/02/71/1036710271.db2.gz WRHKKWOKKXBYFN-UHFFFAOYSA-N 1 0 338.451 4.042 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000598615995 1036714246 /nfs/dbraw/zinc/71/42/46/1036714246.db2.gz IQHWXGRMOIIRGP-MLGOLLRUSA-N 1 0 341.282 4.335 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000598622862 1036717245 /nfs/dbraw/zinc/71/72/45/1036717245.db2.gz SKDTYYHRKBQYEE-RBUKOAKNSA-N 1 0 326.484 4.295 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCSCc1ccccc1F)CC2 ZINC000589337150 1036738780 /nfs/dbraw/zinc/73/87/80/1036738780.db2.gz KJBOLCUOQHOEGT-LJQANCHMSA-N 1 0 326.440 4.208 20 30 EIEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000589343664 1036741877 /nfs/dbraw/zinc/74/18/77/1036741877.db2.gz JIYHOBUEECUGGA-FQEVSTJZSA-N 1 0 348.446 4.291 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)ccc1C#N ZINC000589345460 1036742779 /nfs/dbraw/zinc/74/27/79/1036742779.db2.gz CGZGGMPKMWOVSN-ZDUSSCGKSA-N 1 0 348.368 4.306 20 30 EIEDRO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1occc1C ZINC000414552344 1036744777 /nfs/dbraw/zinc/74/47/77/1036744777.db2.gz QXROHNIETILOGE-UHFFFAOYSA-N 1 0 348.450 4.387 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1OC ZINC000668627926 1036748718 /nfs/dbraw/zinc/74/87/18/1036748718.db2.gz NRUOAKVVJJZHML-RTBURBONSA-N 1 0 345.483 4.041 20 30 EIEDRO CC[C@@H](CC(F)F)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000659935691 1036752996 /nfs/dbraw/zinc/75/29/96/1036752996.db2.gz LAYOBCDSCRYMEZ-QMMMGPOBSA-N 1 0 327.259 4.485 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC(C)(C)c1c(Cl)cccc1Cl ZINC000598718412 1036759532 /nfs/dbraw/zinc/75/95/32/1036759532.db2.gz AYIKWKFICPEECI-LBPRGKRZSA-N 1 0 343.298 4.161 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000598728866 1036764813 /nfs/dbraw/zinc/76/48/13/1036764813.db2.gz XGBAKBWKIZDXJA-JQHSSLGASA-N 1 0 334.891 4.257 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000598728859 1036764975 /nfs/dbraw/zinc/76/49/75/1036764975.db2.gz XAYJFQJQTAYEIL-NJAFHUGGSA-N 1 0 334.891 4.257 20 30 EIEDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000593620081 1036785516 /nfs/dbraw/zinc/78/55/16/1036785516.db2.gz FKOGMAQGGLNPOK-JOCHJYFZSA-N 1 0 342.446 4.138 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000589504205 1036804281 /nfs/dbraw/zinc/80/42/81/1036804281.db2.gz PNRFQCDRBQDLHZ-LLVKDONJSA-N 1 0 348.324 4.157 20 30 EIEDRO CCOc1cc(Cl)ccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000572651828 1036805789 /nfs/dbraw/zinc/80/57/89/1036805789.db2.gz URZQOQBCHXCTNG-GOSISDBHSA-N 1 0 326.827 4.387 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+]C3(c4ccccc4Cl)CCC3)n2c1 ZINC000593648397 1036826427 /nfs/dbraw/zinc/82/64/27/1036826427.db2.gz KNMANBDMZHEMIV-UHFFFAOYSA-N 1 0 336.826 4.028 20 30 EIEDRO N#CCN1CCC([NH2+]Cc2ccc(-c3ccccc3)c(Cl)c2)CC1 ZINC000598959833 1036827977 /nfs/dbraw/zinc/82/79/77/1036827977.db2.gz GZQMRUWPBFZVGP-UHFFFAOYSA-N 1 0 339.870 4.085 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc(C(F)(F)F)c1 ZINC000598963629 1036829339 /nfs/dbraw/zinc/82/93/39/1036829339.db2.gz AISHRCCEASWHKU-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000421882332 1036831662 /nfs/dbraw/zinc/83/16/62/1036831662.db2.gz PNMCSCAICKROGZ-QGZVFWFLSA-N 1 0 327.409 4.085 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ccccc3)C3CCC3)CC2)nc1 ZINC000603433600 1036839215 /nfs/dbraw/zinc/83/92/15/1036839215.db2.gz UGGCQGPGLJIRJK-QFIPXVFZSA-N 1 0 346.478 4.053 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000598980322 1036839826 /nfs/dbraw/zinc/83/98/26/1036839826.db2.gz STVFWSLHTBKSJN-UHFFFAOYSA-N 1 0 344.352 4.186 20 30 EIEDRO CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000486783709 1036852810 /nfs/dbraw/zinc/85/28/10/1036852810.db2.gz ZZHAEWNZAAAROV-MRXNPFEDSA-N 1 0 333.863 4.051 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C2CC2)cn1 ZINC000599019997 1036853616 /nfs/dbraw/zinc/85/36/16/1036853616.db2.gz LCQZHJZMOQNKFC-FQEVSTJZSA-N 1 0 335.451 4.132 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000589743006 1036869667 /nfs/dbraw/zinc/86/96/67/1036869667.db2.gz WSJIQCNGGHRYKI-CGRMTHRGSA-N 1 0 326.484 4.018 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000503028777 1036878721 /nfs/dbraw/zinc/87/87/21/1036878721.db2.gz YGCSKGGRRHHEFH-HKUYNNGSSA-N 1 0 329.365 4.450 20 30 EIEDRO CCC1CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000593689009 1036894222 /nfs/dbraw/zinc/89/42/22/1036894222.db2.gz ZXNLSASYSLHQKC-UHFFFAOYSA-N 1 0 325.500 4.081 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCC34CCCC4)CC2)c1 ZINC000593695100 1036898746 /nfs/dbraw/zinc/89/87/46/1036898746.db2.gz IEMNGHBOZHUGFV-NRFANRHFSA-N 1 0 337.511 4.225 20 30 EIEDRO CC(C)=CCC[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593702731 1036907702 /nfs/dbraw/zinc/90/77/02/1036907702.db2.gz NLAXTJATZSNYTJ-GOSISDBHSA-N 1 0 325.500 4.247 20 30 EIEDRO Cc1ccccc1C[N@@H+]1CCCN(c2cccc(Cl)c2C#N)CC1 ZINC000603628964 1036908786 /nfs/dbraw/zinc/90/87/86/1036908786.db2.gz AVCHKSJTJWHWHP-UHFFFAOYSA-N 1 0 339.870 4.232 20 30 EIEDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1C#N ZINC000599276960 1036934436 /nfs/dbraw/zinc/93/44/36/1036934436.db2.gz HALUILSWXKOWQS-UNMCSNQZSA-N 1 0 334.463 4.466 20 30 EIEDRO COC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000599356611 1036968044 /nfs/dbraw/zinc/96/80/44/1036968044.db2.gz NKUODDLRVCLJHD-SFHVURJKSA-N 1 0 348.368 4.363 20 30 EIEDRO N#CC1(C[C@H](O)C[NH2+][C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000599351221 1036969162 /nfs/dbraw/zinc/96/91/62/1036969162.db2.gz ZLJKZLYQOJAGCA-LEWJYISDSA-N 1 0 334.463 4.005 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000590123867 1036980046 /nfs/dbraw/zinc/98/00/46/1036980046.db2.gz JINUCNQDWXKOCC-NRFANRHFSA-N 1 0 348.490 4.481 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)[C@H]1CC[C@@H](C#N)C1 ZINC000590157703 1036994130 /nfs/dbraw/zinc/99/41/30/1036994130.db2.gz DEWJPPGAFSHOKT-PBHICJAKSA-N 1 0 327.403 4.037 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000590254362 1037022092 /nfs/dbraw/zinc/02/20/92/1037022092.db2.gz KZVANBXESWNAAP-WOJBJXKFSA-N 1 0 334.419 4.073 20 30 EIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000271841547 1037031699 /nfs/dbraw/zinc/03/16/99/1037031699.db2.gz ZMEWWMVFXLGUGA-FQEVSTJZSA-N 1 0 338.451 4.475 20 30 EIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000271918292 1037053465 /nfs/dbraw/zinc/05/34/65/1037053465.db2.gz ZHYKRAGNCNEQGB-AUUYWEPGSA-N 1 0 344.842 4.281 20 30 EIEDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1F ZINC000603869734 1037065415 /nfs/dbraw/zinc/06/54/15/1037065415.db2.gz FGSQGUOTBLITAU-UHFFFAOYSA-N 1 0 332.806 4.252 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000603882512 1037073217 /nfs/dbraw/zinc/07/32/17/1037073217.db2.gz APIKCCYOSVWEQS-UHFFFAOYSA-N 1 0 342.446 4.427 20 30 EIEDRO C=CCn1c(SCC[C@H]2CCCC[N@H+]2C)nnc1-c1ccccc1 ZINC000057508381 1037076667 /nfs/dbraw/zinc/07/66/67/1037076667.db2.gz ZIDIRZBZSLEKGA-QGZVFWFLSA-N 1 0 342.512 4.098 20 30 EIEDRO Cc1cc(Cl)ccc1C1=CC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000599619653 1037091956 /nfs/dbraw/zinc/09/19/56/1037091956.db2.gz MYESLLIVNZTIMZ-KRWDZBQOSA-N 1 0 332.875 4.038 20 30 EIEDRO CSc1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000599631516 1037102216 /nfs/dbraw/zinc/10/22/16/1037102216.db2.gz XLFVZIXPZJTNMW-UHFFFAOYSA-N 1 0 338.476 4.076 20 30 EIEDRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000599653302 1037117544 /nfs/dbraw/zinc/11/75/44/1037117544.db2.gz TUSIXQOEKZTQCE-RMRKRWHISA-N 1 0 333.273 4.319 20 30 EIEDRO C[C@@H](CC[N@@H+]1CCc2c(CC#N)cccc2C1)OCc1ccccc1 ZINC000599678502 1037130338 /nfs/dbraw/zinc/13/03/38/1037130338.db2.gz RXHZQPLPPKDUOF-SFHVURJKSA-N 1 0 334.463 4.106 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000590643654 1037131151 /nfs/dbraw/zinc/13/11/51/1037131151.db2.gz AUNDMIBKPUACNP-UHFFFAOYSA-N 1 0 335.451 4.223 20 30 EIEDRO CC[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)ccc1OC ZINC000590662694 1037136043 /nfs/dbraw/zinc/13/60/43/1037136043.db2.gz WIGPGZNTIPRMRX-CQSZACIVSA-N 1 0 342.414 4.173 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000590779093 1037163794 /nfs/dbraw/zinc/16/37/94/1037163794.db2.gz LINPHMFJYBHTKY-MRXNPFEDSA-N 1 0 331.341 4.139 20 30 EIEDRO COc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1OC(F)F ZINC000487869492 1037272081 /nfs/dbraw/zinc/27/20/81/1037272081.db2.gz LIHWDYVXZGZGQI-CYBMUJFWSA-N 1 0 346.377 4.361 20 30 EIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000604435354 1037389704 /nfs/dbraw/zinc/38/97/04/1037389704.db2.gz OKRIMXMHJYYITL-HXUWFJFHSA-N 1 0 333.435 4.032 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCSc2ccc(F)cc2)C2CC2)cc1 ZINC000604501261 1037410388 /nfs/dbraw/zinc/41/03/88/1037410388.db2.gz SWHSXZDFWYPVSO-UHFFFAOYSA-N 1 0 326.440 4.454 20 30 EIEDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2cc(N)ccc2O1 ZINC000591579374 1037506075 /nfs/dbraw/zinc/50/60/75/1037506075.db2.gz SWYVTUKQRQQEQI-VQTJNVASSA-N 1 0 347.462 4.410 20 30 EIEDRO C=CC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000604885272 1037574940 /nfs/dbraw/zinc/57/49/40/1037574940.db2.gz WPLGVEQXPHKNOC-ROUUACIJSA-N 1 0 347.466 4.015 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1Cl ZINC000894270870 1037581926 /nfs/dbraw/zinc/58/19/26/1037581926.db2.gz LELAPQKBKJUNMS-UHFFFAOYSA-N 1 0 345.777 4.063 20 30 EIEDRO C=CCCCCC[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000488456051 1037597716 /nfs/dbraw/zinc/59/77/16/1037597716.db2.gz GCVIQCKWLHVCNB-UHFFFAOYSA-N 1 0 328.500 4.070 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)cc1Cl ZINC000171768966 1037659617 /nfs/dbraw/zinc/65/96/17/1037659617.db2.gz DJHFOZNBJCKNLM-UHFFFAOYSA-N 1 0 342.826 4.097 20 30 EIEDRO Cc1cc(N2CCC(C)(C#N)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000503318450 1037692570 /nfs/dbraw/zinc/69/25/70/1037692570.db2.gz PZIGCKOXFFMXHE-UHFFFAOYSA-N 1 0 331.366 4.275 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(CC#N)c3)cc2)C1 ZINC000046156346 1037713463 /nfs/dbraw/zinc/71/34/63/1037713463.db2.gz YDTFRCFUEWKZAP-KRWDZBQOSA-N 1 0 347.462 4.237 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503375641 1037729526 /nfs/dbraw/zinc/72/95/26/1037729526.db2.gz JAVOVQVUIXMFIW-DJJJIMSYSA-N 1 0 326.827 4.245 20 30 EIEDRO C=CCCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132987 1037741054 /nfs/dbraw/zinc/74/10/54/1037741054.db2.gz QSWISUVZUUZNJF-IYARVYRRSA-N 1 0 332.444 4.057 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592177138 1037743829 /nfs/dbraw/zinc/74/38/29/1037743829.db2.gz LLAPHMRMJRBCQC-IBGZPJMESA-N 1 0 326.484 4.366 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157401 1037765814 /nfs/dbraw/zinc/76/58/14/1037765814.db2.gz WULXPJJZMJCYMU-OAHLLOKOSA-N 1 0 328.456 4.063 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(C)c1C)C(C)C ZINC000503442692 1037768300 /nfs/dbraw/zinc/76/83/00/1037768300.db2.gz SYAIKTWTPSUSJH-IBGZPJMESA-N 1 0 329.488 4.124 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592176668 1037770289 /nfs/dbraw/zinc/77/02/89/1037770289.db2.gz BJVWWACWQCBUSR-OAQYLSRUSA-N 1 0 332.447 4.026 20 30 EIEDRO N#CCCC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000592517264 1037824364 /nfs/dbraw/zinc/82/43/64/1037824364.db2.gz OVTBHYWIBKJLDG-UHFFFAOYSA-N 1 0 331.891 4.456 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3cc(F)ccc3C2)c(C(F)(F)F)c1 ZINC001168421127 1037893518 /nfs/dbraw/zinc/89/35/18/1037893518.db2.gz OMLTZEREOIEKGX-KRWDZBQOSA-N 1 0 348.343 4.363 20 30 EIEDRO C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000574226310 1037957356 /nfs/dbraw/zinc/95/73/56/1037957356.db2.gz ZRDNCUQYYLVUOU-CQSZACIVSA-N 1 0 339.405 4.238 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@](C)(O)CCC(C)C)cc1Cl ZINC000607168366 1037976920 /nfs/dbraw/zinc/97/69/20/1037976920.db2.gz HVJDVICNJGFIOQ-GOSISDBHSA-N 1 0 325.880 4.182 20 30 EIEDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075747029 1038066124 /nfs/dbraw/zinc/06/61/24/1038066124.db2.gz LHRQYEXCENLANL-KRWDZBQOSA-N 1 0 338.455 4.256 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1nc2c(cccc2F)n1CC ZINC000489544592 1038103480 /nfs/dbraw/zinc/10/34/80/1038103480.db2.gz CUALQJCBMVPEDL-UHFFFAOYSA-N 1 0 337.442 4.426 20 30 EIEDRO COc1cc(OC)c(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1F ZINC000593630613 1038113874 /nfs/dbraw/zinc/11/38/74/1038113874.db2.gz XMIUKADVTINBMO-GOSISDBHSA-N 1 0 342.414 4.368 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000593692664 1038154881 /nfs/dbraw/zinc/15/48/81/1038154881.db2.gz YRANEJQHZKDSIW-RGCFKVTRSA-N 1 0 340.467 4.229 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019979 1038210882 /nfs/dbraw/zinc/21/08/82/1038210882.db2.gz UBIAGGCYSATTCH-MRXNPFEDSA-N 1 0 342.446 4.442 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032974 1038242593 /nfs/dbraw/zinc/24/25/93/1038242593.db2.gz UBFSYAQSQKJCNV-UHFFFAOYSA-N 1 0 347.462 4.289 20 30 EIEDRO CC[NH+](CC)[C@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000912777443 1038290511 /nfs/dbraw/zinc/29/05/11/1038290511.db2.gz DKKGWRWJAICFSK-CPOKCXMASA-N 1 0 347.462 4.442 20 30 EIEDRO CC(C)(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594434007 1038334563 /nfs/dbraw/zinc/33/45/63/1038334563.db2.gz WHVKGCPBMBGCTK-IRXDYDNUSA-N 1 0 349.906 4.345 20 30 EIEDRO COCc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)ccc1F ZINC000594501394 1038348704 /nfs/dbraw/zinc/34/87/04/1038348704.db2.gz ZUQOIEKDIDKMLC-UHFFFAOYSA-N 1 0 326.415 4.063 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)CCC2 ZINC000594503612 1038351733 /nfs/dbraw/zinc/35/17/33/1038351733.db2.gz ZXHTWEQZXMCZEW-SFTDATJTSA-N 1 0 348.446 4.485 20 30 EIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000594516734 1038357547 /nfs/dbraw/zinc/35/75/47/1038357547.db2.gz FCHOXOOMISLTBL-ZDUSSCGKSA-N 1 0 333.391 4.135 20 30 EIEDRO CC(C)(C)c1ncc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594521916 1038359698 /nfs/dbraw/zinc/35/96/98/1038359698.db2.gz VUUKWBMILBWQQY-UHFFFAOYSA-N 1 0 325.481 4.481 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594519237 1038360418 /nfs/dbraw/zinc/36/04/18/1038360418.db2.gz FLWWBRXITGNRCZ-YFUGFCHXSA-N 1 0 348.531 4.441 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594519487 1038360625 /nfs/dbraw/zinc/36/06/25/1038360625.db2.gz LETUCOPUWKIWQM-UHFFFAOYSA-N 1 0 348.446 4.301 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594519757 1038360999 /nfs/dbraw/zinc/36/09/99/1038360999.db2.gz USYICFDVQVXJMU-JCGIZDLHSA-N 1 0 342.483 4.040 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Br)o3)CCC2)cc1 ZINC000594517425 1038361314 /nfs/dbraw/zinc/36/13/14/1038361314.db2.gz CEHJDRUSAHWUQZ-UHFFFAOYSA-N 1 0 331.213 4.083 20 30 EIEDRO CC(C)[C@@H]1[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC12CCOCC2 ZINC000594605893 1038381077 /nfs/dbraw/zinc/38/10/77/1038381077.db2.gz FQFBQLOBCGWAGI-IBGZPJMESA-N 1 0 326.484 4.125 20 30 EIEDRO C#CCCCCCC[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001168405091 1038383293 /nfs/dbraw/zinc/38/32/93/1038383293.db2.gz WTYJBYIJZCQKOH-OTWHNJEPSA-N 1 0 348.531 4.195 20 30 EIEDRO N#Cc1cc(F)c(NCc2ccccc2C[NH+]2CCCCC2)c(F)c1 ZINC000063508256 1038411062 /nfs/dbraw/zinc/41/10/62/1038411062.db2.gz CBTCEOKAZIZQGI-UHFFFAOYSA-N 1 0 341.405 4.434 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594917727 1038424493 /nfs/dbraw/zinc/42/44/93/1038424493.db2.gz MRPUAILVYABCCP-KRWDZBQOSA-N 1 0 334.463 4.361 20 30 EIEDRO COC(=O)CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594922362 1038424923 /nfs/dbraw/zinc/42/49/23/1038424923.db2.gz SRTGWDBTZRWKEB-FQEVSTJZSA-N 1 0 348.446 4.026 20 30 EIEDRO COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594918786 1038425880 /nfs/dbraw/zinc/42/58/80/1038425880.db2.gz SJAIYPJLTUCLMF-UHFFFAOYSA-N 1 0 326.827 4.194 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CCCO[C@H]3c3ccccc3)cc2)CC1 ZINC000594918678 1038427237 /nfs/dbraw/zinc/42/72/37/1038427237.db2.gz RJARSSKUPRUPPY-UNMCSNQZSA-N 1 0 346.474 4.499 20 30 EIEDRO C[C@H]1CCC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000574814796 1038459640 /nfs/dbraw/zinc/45/96/40/1038459640.db2.gz JZGISHNQOSTAMD-BBRMVZONSA-N 1 0 333.863 4.051 20 30 EIEDRO CSCC1(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000594973619 1038480711 /nfs/dbraw/zinc/48/07/11/1038480711.db2.gz GWFFUVZXIQUSSZ-UHFFFAOYSA-N 1 0 328.403 4.200 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)cc1 ZINC000594972092 1038482046 /nfs/dbraw/zinc/48/20/46/1038482046.db2.gz YDFOCEZOAGYUAK-UHFFFAOYSA-N 1 0 338.426 4.458 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)cc1 ZINC000608069915 1038489471 /nfs/dbraw/zinc/48/94/71/1038489471.db2.gz YCCDYAISXQEUCY-UHFFFAOYSA-N 1 0 341.426 4.186 20 30 EIEDRO CSc1cccc(F)c1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594941442 1038500017 /nfs/dbraw/zinc/50/00/17/1038500017.db2.gz TTZQZNYGHKWZFW-UHFFFAOYSA-N 1 0 326.440 4.393 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000594938954 1038509000 /nfs/dbraw/zinc/50/90/00/1038509000.db2.gz XWUJETOAOPURJN-UHFFFAOYSA-N 1 0 339.414 4.433 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1OCCc2sccc21 ZINC000594945751 1038510948 /nfs/dbraw/zinc/51/09/48/1038510948.db2.gz WUCRANJESXXHPP-IFXJQAMLSA-N 1 0 338.476 4.095 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2OCc2ccc(F)cc2F)C1 ZINC000594950431 1038512612 /nfs/dbraw/zinc/51/26/12/1038512612.db2.gz LCGORNQJFPKZJL-KBXCAEBGSA-N 1 0 342.389 4.326 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(OC2CC2)c1F ZINC000594950464 1038514698 /nfs/dbraw/zinc/51/46/98/1038514698.db2.gz LWXBHLOTEMZNQN-LJQANCHMSA-N 1 0 336.410 4.406 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594948737 1038516112 /nfs/dbraw/zinc/51/61/12/1038516112.db2.gz APMOMMKBAUPMTN-OAQYLSRUSA-N 1 0 327.431 4.281 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H](c1ccccc1)N(C)C ZINC000594948208 1038519763 /nfs/dbraw/zinc/51/97/63/1038519763.db2.gz WZADWRZGWCZHME-LAUBAEHRSA-N 1 0 333.479 4.023 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCCOc4c(F)cccc43)cc2)CC1 ZINC000594945241 1038519969 /nfs/dbraw/zinc/51/99/69/1038519969.db2.gz WRWDXSRDAMWRIK-LJQANCHMSA-N 1 0 336.410 4.384 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000424170257 1038722294 /nfs/dbraw/zinc/72/22/94/1038722294.db2.gz JBEHTJBEZYCNKR-UWJYYQICSA-N 1 0 341.426 4.085 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000424203628 1038736703 /nfs/dbraw/zinc/73/67/03/1038736703.db2.gz ULQBQZVTGYJCLO-APWZRJJASA-N 1 0 334.467 4.007 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000424300663 1038774910 /nfs/dbraw/zinc/77/49/10/1038774910.db2.gz YJZQRYWYIASZBY-VUCTXSBTSA-N 1 0 336.273 4.007 20 30 EIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1ccc2c(c1)COC2)C(C)C ZINC000480759740 1038800509 /nfs/dbraw/zinc/80/05/09/1038800509.db2.gz PZCFTEWGTMOISN-DYESRHJHSA-N 1 0 328.500 4.066 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000424324830 1038805831 /nfs/dbraw/zinc/80/58/31/1038805831.db2.gz KGAXDMXAIUQDAC-XGWLTEMNSA-N 1 0 333.273 4.052 20 30 EIEDRO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000461901665 1038806791 /nfs/dbraw/zinc/80/67/91/1038806791.db2.gz VRCZSEFSTARLQJ-QGZVFWFLSA-N 1 0 347.462 4.286 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 ZINC000461903414 1038808215 /nfs/dbraw/zinc/80/82/15/1038808215.db2.gz SXNISUFALKPUMW-MRXNPFEDSA-N 1 0 335.451 4.142 20 30 EIEDRO CSC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000424336665 1038810443 /nfs/dbraw/zinc/81/04/43/1038810443.db2.gz YDXMNSRSDNBUKX-GLQYFDAESA-N 1 0 328.403 4.391 20 30 EIEDRO Cc1ccc([C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)N2CCCC2)cc1 ZINC000554987957 1038812782 /nfs/dbraw/zinc/81/27/82/1038812782.db2.gz OFARDJXDMFWNRP-DHIUTWEWSA-N 1 0 345.490 4.281 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000174131889 1038847375 /nfs/dbraw/zinc/84/73/75/1038847375.db2.gz CQAYQEBBAMANOG-SJORKVTESA-N 1 0 346.434 4.014 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CCSCc2ccccc2C#N)ccc1F ZINC000504927906 1038857051 /nfs/dbraw/zinc/85/70/51/1038857051.db2.gz WECWKTFFQDRYMX-AWEZNQCLSA-N 1 0 344.455 4.290 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000505001033 1038877291 /nfs/dbraw/zinc/87/72/91/1038877291.db2.gz NNEAFPJBDVICNX-GOSISDBHSA-N 1 0 343.515 4.295 20 30 EIEDRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000462067518 1038883967 /nfs/dbraw/zinc/88/39/67/1038883967.db2.gz MJWHRYXGOKTCAA-DJIMGWMZSA-N 1 0 335.289 4.442 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)ccc1OC(C)C ZINC000539253146 1038895931 /nfs/dbraw/zinc/89/59/31/1038895931.db2.gz RDLKQQCCQQUVFI-CQSZACIVSA-N 1 0 342.414 4.344 20 30 EIEDRO CC[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000539252507 1038896566 /nfs/dbraw/zinc/89/65/66/1038896566.db2.gz LFTGORZICHEMRB-KRWDZBQOSA-N 1 0 346.377 4.279 20 30 EIEDRO Cc1c(C#N)cccc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000480955861 1038898167 /nfs/dbraw/zinc/89/81/67/1038898167.db2.gz NXHIFLFWCFHKSZ-UHFFFAOYSA-N 1 0 342.487 4.033 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000505034628 1038905849 /nfs/dbraw/zinc/90/58/49/1038905849.db2.gz FMFFGYYBUCMWDN-AEFFLSMTSA-N 1 0 329.488 4.142 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000505036835 1038910569 /nfs/dbraw/zinc/91/05/69/1038910569.db2.gz ZYOBIAUWLAXFNB-DLBZAZTESA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000505039713 1038916612 /nfs/dbraw/zinc/91/66/12/1038916612.db2.gz PPANIQZUUGPPSG-UHFFFAOYSA-N 1 0 329.488 4.145 20 30 EIEDRO CC[NH+](CC)CCSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000462111278 1038930551 /nfs/dbraw/zinc/93/05/51/1038930551.db2.gz ILRFSXGKAIMWSI-UHFFFAOYSA-N 1 0 338.480 4.102 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1OC ZINC000539296491 1038945885 /nfs/dbraw/zinc/94/58/85/1038945885.db2.gz BMNXZCMOCPIICT-OAHLLOKOSA-N 1 0 343.854 4.368 20 30 EIEDRO CC[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CC[C@H]1c1ccccc1 ZINC000537619934 1038955852 /nfs/dbraw/zinc/95/58/52/1038955852.db2.gz NJZVXIIREPACDR-GHTZIAJQSA-N 1 0 344.462 4.222 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000174587793 1038998812 /nfs/dbraw/zinc/99/88/12/1038998812.db2.gz NCYHKFZMUQBTRN-HUUCEWRRSA-N 1 0 344.842 4.188 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)Sc1ccccc1 ZINC000174607903 1039009597 /nfs/dbraw/zinc/00/95/97/1039009597.db2.gz YZZYBCNOMCTKQQ-QGZVFWFLSA-N 1 0 339.508 4.307 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424689658 1039014857 /nfs/dbraw/zinc/01/48/57/1039014857.db2.gz XGKXTSUHQTUYCX-IEBWSBKVSA-N 1 0 328.500 4.100 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2F)cc1OC ZINC000119924611 1039014804 /nfs/dbraw/zinc/01/48/04/1039014804.db2.gz LRBFRJYOFNGHAI-CYBMUJFWSA-N 1 0 333.378 4.389 20 30 EIEDRO C=C(C)C[N@@H+](CC)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000058013807 1039029276 /nfs/dbraw/zinc/02/92/76/1039029276.db2.gz JSADNKYAJCNBQP-UHFFFAOYSA-N 1 0 336.479 4.132 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000539380225 1039039330 /nfs/dbraw/zinc/03/93/30/1039039330.db2.gz NMCFVMNTONZVGF-GFCCVEGCSA-N 1 0 348.805 4.089 20 30 EIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc(C#N)ccc3Cl)ccc21 ZINC000456297522 1039242581 /nfs/dbraw/zinc/24/25/81/1039242581.db2.gz DEBRZHAVKOECQT-SFHVURJKSA-N 1 0 339.826 4.013 20 30 EIEDRO C=CCOc1c(Cl)cc(CN(C[C@H](C)C#N)C2CC2)cc1OC ZINC000600121968 1039310892 /nfs/dbraw/zinc/31/08/92/1039310892.db2.gz YYAIDZNBFVUUFR-CYBMUJFWSA-N 1 0 334.847 4.037 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+]([C@H]3C=CCCCCC3)CC2)c(F)c1 ZINC000555524808 1039324569 /nfs/dbraw/zinc/32/45/69/1039324569.db2.gz PEGUUUAMRXQVTK-KRWDZBQOSA-N 1 0 328.431 4.429 20 30 EIEDRO Cc1cccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1C ZINC000552252302 1039334512 /nfs/dbraw/zinc/33/45/12/1039334512.db2.gz IBMHJOBOGKCAJD-SFHVURJKSA-N 1 0 333.479 4.495 20 30 EIEDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC1CC1 ZINC000600167785 1039339715 /nfs/dbraw/zinc/33/97/15/1039339715.db2.gz XWIHKHLYNUVBJA-OAHLLOKOSA-N 1 0 336.435 4.301 20 30 EIEDRO C=CCOc1c(Cl)cc(CN2CCC[C@@H](CC#N)C2)cc1OC ZINC000600178801 1039354280 /nfs/dbraw/zinc/35/42/80/1039354280.db2.gz POINQMIXLBDDLP-AWEZNQCLSA-N 1 0 334.847 4.039 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC000550818666 1039373667 /nfs/dbraw/zinc/37/36/67/1039373667.db2.gz PNTUEPLNCYNSKY-IRLDBZIGSA-N 1 0 336.479 4.177 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(C)(C)CCC#N ZINC000092078514 1039461204 /nfs/dbraw/zinc/46/12/04/1039461204.db2.gz CAIKCBPPIFZREL-UHFFFAOYSA-N 1 0 342.462 4.410 20 30 EIEDRO CCOc1ccc(Cl)cc1CC[NH2+]Cc1ccc(C#N)cc1F ZINC000534464430 1039472935 /nfs/dbraw/zinc/47/29/35/1039472935.db2.gz JNZRXPUJPGJNQT-UHFFFAOYSA-N 1 0 332.806 4.082 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000092643286 1039570363 /nfs/dbraw/zinc/57/03/63/1039570363.db2.gz NDXSDAQCLQVKBD-GOSISDBHSA-N 1 0 349.478 4.078 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000092757851 1039580700 /nfs/dbraw/zinc/58/07/00/1039580700.db2.gz CQGSLHNVCAQSQG-HXUWFJFHSA-N 1 0 335.451 4.056 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)cc1OCCCC#N ZINC000092781231 1039585290 /nfs/dbraw/zinc/58/52/90/1039585290.db2.gz HSSXACTZEWMEKQ-SFHVURJKSA-N 1 0 328.456 4.142 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000550844317 1039586730 /nfs/dbraw/zinc/58/67/30/1039586730.db2.gz OOZLOZIYZDYOKL-QHCPKHFHSA-N 1 0 345.490 4.310 20 30 EIEDRO C=CCC1(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)CCC1 ZINC000478272613 1039598897 /nfs/dbraw/zinc/59/88/97/1039598897.db2.gz ANCAJHJINADKTP-QGZVFWFLSA-N 1 0 346.540 4.384 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000481593040 1039609510 /nfs/dbraw/zinc/60/95/10/1039609510.db2.gz PFYZQDGDLFJIGS-GOSISDBHSA-N 1 0 348.349 4.159 20 30 EIEDRO CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@H]1CCCCc3cc(C#N)ccc31)CC2 ZINC000481675783 1039726751 /nfs/dbraw/zinc/72/67/51/1039726751.db2.gz IKCZVPJMKDESLG-FPOVZHCZSA-N 1 0 348.494 4.250 20 30 EIEDRO CC1(C)CC[N@H+](Cc2cc(C#N)ccc2Br)CCS1 ZINC000434705245 1039818120 /nfs/dbraw/zinc/81/81/20/1039818120.db2.gz HXYXHPZSQZMJQK-UHFFFAOYSA-N 1 0 339.302 4.038 20 30 EIEDRO Cc1oc(NC(=O)CN(C)[C@H](C)c2ccc(C)cc2C)c(C#N)c1C ZINC000434706861 1039818706 /nfs/dbraw/zinc/81/87/06/1039818706.db2.gz OMXAHFHNAJNCTJ-OAHLLOKOSA-N 1 0 339.439 4.016 20 30 EIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000534903900 1039847241 /nfs/dbraw/zinc/84/72/41/1039847241.db2.gz HWXHXSZVKVIEKL-HNNXBMFYSA-N 1 0 326.415 4.017 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000282372091 1039990632 /nfs/dbraw/zinc/99/06/32/1039990632.db2.gz NYBCZCZGCMQAAM-UHFFFAOYSA-N 1 0 329.444 4.369 20 30 EIEDRO C=C[C@H](CC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000535339819 1040204425 /nfs/dbraw/zinc/20/44/25/1040204425.db2.gz JFUZCLIQJSWLFW-HUUJSLGLSA-N 1 0 340.511 4.210 20 30 EIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000548160153 1040211675 /nfs/dbraw/zinc/21/16/75/1040211675.db2.gz ZOFYOIMCELXFCS-ZBFHGGJFSA-N 1 0 333.501 4.124 20 30 EIEDRO C=C(C[NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000479257729 1040229220 /nfs/dbraw/zinc/22/92/20/1040229220.db2.gz ZWRNGZUSAUQGKZ-IBGZPJMESA-N 1 0 325.452 4.328 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000425369216 1040355847 /nfs/dbraw/zinc/35/58/47/1040355847.db2.gz ZIXWUEOMZRFIOK-AWEZNQCLSA-N 1 0 336.464 4.213 20 30 EIEDRO C[C@@H](CCC(C)(C)C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000551522154 1040375873 /nfs/dbraw/zinc/37/58/73/1040375873.db2.gz ZVLKWTZBANEYFK-ZLPCBKJTSA-N 1 0 329.488 4.448 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000477295871 1040388247 /nfs/dbraw/zinc/38/82/47/1040388247.db2.gz GIRRPJCNYMHCGJ-LBPRGKRZSA-N 1 0 329.787 4.013 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000539467199 1040460890 /nfs/dbraw/zinc/46/08/90/1040460890.db2.gz VOIPUUVBWNGNNU-OTWHNJEPSA-N 1 0 335.536 4.027 20 30 EIEDRO COc1ccc(C[N@H+](CC2(C#N)CC2)C2CCCCC2)cc1OC ZINC000539491028 1040476106 /nfs/dbraw/zinc/47/61/06/1040476106.db2.gz ZBLFEOZGLUJELY-UHFFFAOYSA-N 1 0 328.456 4.142 20 30 EIEDRO COC1CCC(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000515096303 1040479558 /nfs/dbraw/zinc/47/95/58/1040479558.db2.gz HSLXXDDADCLAIJ-UHFFFAOYSA-N 1 0 340.389 4.262 20 30 EIEDRO CC[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000539499148 1040492031 /nfs/dbraw/zinc/49/20/31/1040492031.db2.gz ANPVBMAODQKLEK-VGSWGCGISA-N 1 0 333.479 4.046 20 30 EIEDRO C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)c1cccc(C#N)c1 ZINC000539510265 1040503300 /nfs/dbraw/zinc/50/33/00/1040503300.db2.gz TYCGPYLZJIUXPP-ZDUSSCGKSA-N 1 0 340.377 4.196 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000435674379 1040538600 /nfs/dbraw/zinc/53/86/00/1040538600.db2.gz YQICKYTUDMYAAE-XPKDYRNWSA-N 1 0 329.362 4.217 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000435732507 1040587465 /nfs/dbraw/zinc/58/74/65/1040587465.db2.gz PIZQOPPIKABSAG-UTKZUKDTSA-N 1 0 339.483 4.067 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000435752235 1040587563 /nfs/dbraw/zinc/58/75/63/1040587563.db2.gz WXZOQNRPKNLHMV-ABAIWWIYSA-N 1 0 331.790 4.012 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OCCC(C)C)c1 ZINC000435735490 1040589408 /nfs/dbraw/zinc/58/94/08/1040589408.db2.gz NJVBBERCPQBZCO-NQIIRXRSSA-N 1 0 347.499 4.191 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000553864462 1040595153 /nfs/dbraw/zinc/59/51/53/1040595153.db2.gz ZQKLSKRCQSREJG-HXUWFJFHSA-N 1 0 342.870 4.026 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000553864461 1040595651 /nfs/dbraw/zinc/59/56/51/1040595651.db2.gz ZQKLSKRCQSREJG-FQEVSTJZSA-N 1 0 342.870 4.026 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000539608464 1040604877 /nfs/dbraw/zinc/60/48/77/1040604877.db2.gz MKEXKLLPQZTQND-LLVKDONJSA-N 1 0 338.304 4.447 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccsc1 ZINC000539610126 1040609896 /nfs/dbraw/zinc/60/98/96/1040609896.db2.gz QOKPKJRUGADJEE-KUHUBIRLSA-N 1 0 345.487 4.493 20 30 EIEDRO C=CCC[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccccc1 ZINC000435758806 1040613334 /nfs/dbraw/zinc/61/33/34/1040613334.db2.gz FUHUFSYDYDOCLS-HXUWFJFHSA-N 1 0 343.515 4.210 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000249255911 1040637803 /nfs/dbraw/zinc/63/78/03/1040637803.db2.gz GKOXGXKDCULORC-CZUORRHYSA-N 1 0 348.372 4.172 20 30 EIEDRO Cn1cc(C[N@H+](CCc2ccc(F)cc2)C2CCCC2)cc1C#N ZINC000483157767 1040746791 /nfs/dbraw/zinc/74/67/91/1040746791.db2.gz MTJZJRMMGBEOPZ-UHFFFAOYSA-N 1 0 325.431 4.023 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000483239420 1040779927 /nfs/dbraw/zinc/77/99/27/1040779927.db2.gz SLWHZIXVPMVSFF-AWEZNQCLSA-N 1 0 329.271 4.336 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000479913139 1040789365 /nfs/dbraw/zinc/78/93/65/1040789365.db2.gz HPBMMUFWQMEZEK-HFSMHLIXSA-N 1 0 348.494 4.407 20 30 EIEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2cc(C#N)ccc2OC)cc1 ZINC000483286753 1040806437 /nfs/dbraw/zinc/80/64/37/1040806437.db2.gz PGALVOZDYUENEX-UHFFFAOYSA-N 1 0 338.451 4.381 20 30 EIEDRO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000537762369 1040811682 /nfs/dbraw/zinc/81/16/82/1040811682.db2.gz JUDBDWAWVRYCDJ-HXUWFJFHSA-N 1 0 336.435 4.209 20 30 EIEDRO Cn1cc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2cccs2)cc1C#N ZINC000483307341 1040812850 /nfs/dbraw/zinc/81/28/50/1040812850.db2.gz HDGIVWBKUFNENP-KBOKABMXSA-N 1 0 325.481 4.416 20 30 EIEDRO Cn1cc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2cccs2)cc1C#N ZINC000483307342 1040813089 /nfs/dbraw/zinc/81/30/89/1040813089.db2.gz HDGIVWBKUFNENP-XZVRFQMRSA-N 1 0 325.481 4.416 20 30 EIEDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1cc(C#N)ccc1F ZINC000515503001 1040825041 /nfs/dbraw/zinc/82/50/41/1040825041.db2.gz WCKJSEGIJFYTOC-UHFFFAOYSA-N 1 0 332.806 4.252 20 30 EIEDRO C=CC[N@@H+](CCOC)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000483435193 1040859117 /nfs/dbraw/zinc/85/91/17/1040859117.db2.gz WZKLKYDVKVFJCN-UHFFFAOYSA-N 1 0 328.437 4.191 20 30 EIEDRO CC[C@@H](c1ccncc1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000539887430 1040868485 /nfs/dbraw/zinc/86/84/85/1040868485.db2.gz PFNRDYVZSHLFRN-SFHVURJKSA-N 1 0 348.368 4.415 20 30 EIEDRO C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000480020835 1040868789 /nfs/dbraw/zinc/86/87/89/1040868789.db2.gz OFZORPKVJKMACR-QGZVFWFLSA-N 1 0 344.462 4.242 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000436283763 1041029513 /nfs/dbraw/zinc/02/95/13/1041029513.db2.gz KTOQVDHNNXQIBX-HSMVNMDESA-N 1 0 342.252 4.220 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000436289300 1041051805 /nfs/dbraw/zinc/05/18/05/1041051805.db2.gz MMHFVHLQCAMAJZ-DCGLDWPTSA-N 1 0 328.283 4.495 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000483888025 1041060017 /nfs/dbraw/zinc/06/00/17/1041060017.db2.gz SUJAKDBREILVSD-IBGZPJMESA-N 1 0 349.563 4.419 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000436306159 1041075252 /nfs/dbraw/zinc/07/52/52/1041075252.db2.gz JOJDNQXECJNLFI-KHYOSLBOSA-N 1 0 329.440 4.382 20 30 EIEDRO C[C@H]1SCCN(Cc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1 ZINC000483982945 1041082064 /nfs/dbraw/zinc/08/20/64/1041082064.db2.gz VYGCTSNCKSDAIU-KUHUBIRLSA-N 1 0 326.440 4.376 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000462910437 1041090206 /nfs/dbraw/zinc/09/02/06/1041090206.db2.gz QWWLZCVHEGDPTO-QGZVFWFLSA-N 1 0 340.442 4.007 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000484080908 1041111539 /nfs/dbraw/zinc/11/15/39/1041111539.db2.gz NEFGHYNUVBCTTL-CQSZACIVSA-N 1 0 344.455 4.287 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000538198276 1041167302 /nfs/dbraw/zinc/16/73/02/1041167302.db2.gz PVYCIFLCTYRESQ-BBRMVZONSA-N 1 0 346.471 4.101 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c(C)c1 ZINC000540161373 1041193304 /nfs/dbraw/zinc/19/33/04/1041193304.db2.gz XXWFCTWKGQVRRK-UHFFFAOYSA-N 1 0 334.463 4.497 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000538210908 1041193666 /nfs/dbraw/zinc/19/36/66/1041193666.db2.gz OPDUOEHHKIIXFW-UHFFFAOYSA-N 1 0 344.842 4.124 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000540151752 1041198583 /nfs/dbraw/zinc/19/85/83/1041198583.db2.gz UFAITNYAHVPBKI-QGZVKYPTSA-N 1 0 326.488 4.145 20 30 EIEDRO COc1ccccc1[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000540177111 1041222307 /nfs/dbraw/zinc/22/23/07/1041222307.db2.gz XWJDDNKHUCSCJU-HNNXBMFYSA-N 1 0 326.465 4.151 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000538288927 1041225256 /nfs/dbraw/zinc/22/52/56/1041225256.db2.gz ULEIEGLTNAGLCK-ROUUACIJSA-N 1 0 343.515 4.256 20 30 EIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(C3CCC3)cc2)CC1 ZINC000554565365 1041248971 /nfs/dbraw/zinc/24/89/71/1041248971.db2.gz SAJUQXWHQYIWIS-UHFFFAOYSA-N 1 0 331.463 4.406 20 30 EIEDRO Cn1cc(C[NH2+]C(C)(C)Cc2ccc(Cl)cc2Cl)cc1C#N ZINC000480376290 1041261721 /nfs/dbraw/zinc/26/17/21/1041261721.db2.gz KDYMBKFIKABOCD-UHFFFAOYSA-N 1 0 336.266 4.314 20 30 EIEDRO Cn1nc(CCC[N@H+](C)CCC(C)(C)C#N)cc1-c1ccc(F)cc1 ZINC000538465421 1041369072 /nfs/dbraw/zinc/36/90/72/1041369072.db2.gz XINXOSPVRXGYBB-UHFFFAOYSA-N 1 0 342.462 4.030 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000538507301 1041394862 /nfs/dbraw/zinc/39/48/62/1041394862.db2.gz UTOPPFCBVHEJPQ-XKQJLSEDSA-N 1 0 327.390 4.116 20 30 EIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)Oc1cccc(F)c1 ZINC000538509771 1041397219 /nfs/dbraw/zinc/39/72/19/1041397219.db2.gz QNOAFSUENVVZJA-GUYCJALGSA-N 1 0 330.378 4.345 20 30 EIEDRO C=C(C)C[N@@H+](CC)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000505858142 1041408950 /nfs/dbraw/zinc/40/89/50/1041408950.db2.gz BILKWDGIQUXMBN-UHFFFAOYSA-N 1 0 338.451 4.346 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)C1CC1 ZINC000538556244 1041419573 /nfs/dbraw/zinc/41/95/73/1041419573.db2.gz IJRQDOAPJVFMGM-HOTGVXAUSA-N 1 0 336.426 4.201 20 30 EIEDRO Cc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c1C ZINC000540389545 1041423792 /nfs/dbraw/zinc/42/37/92/1041423792.db2.gz NTWSKNXCRKUIGA-CQSZACIVSA-N 1 0 341.842 4.118 20 30 EIEDRO CC1CCC(C)(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000463234823 1041443824 /nfs/dbraw/zinc/44/38/24/1041443824.db2.gz ASCGIUPYRAUACT-UHFFFAOYSA-N 1 0 339.527 4.329 20 30 EIEDRO C[N@H+](Cc1ccc(OCc2ccncc2)cc1)Cc1cccc(C#N)c1 ZINC000139229693 1041448421 /nfs/dbraw/zinc/44/84/21/1041448421.db2.gz MPHSVPFGMPJDKM-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000463244913 1041451742 /nfs/dbraw/zinc/45/17/42/1041451742.db2.gz ZYRHASMDUVROOA-MGPQQGTHSA-N 1 0 338.282 4.244 20 30 EIEDRO Cc1cc(Br)cc2c1C[N@H+](CCCC(C)(C)C#N)CC2 ZINC000540426016 1041451786 /nfs/dbraw/zinc/45/17/86/1041451786.db2.gz QUMCQCULZFJRTH-UHFFFAOYSA-N 1 0 335.289 4.446 20 30 EIEDRO N#Cc1ccc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1Cl ZINC000461452718 1041459627 /nfs/dbraw/zinc/45/96/27/1041459627.db2.gz WASIUOYYVJIEEP-IBGZPJMESA-N 1 0 325.843 4.461 20 30 EIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463281520 1041471168 /nfs/dbraw/zinc/47/11/68/1041471168.db2.gz KZSLWKGLBNLQCS-KMFMINBZSA-N 1 0 335.289 4.442 20 30 EIEDRO COC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(F)cc1 ZINC000540477179 1041480887 /nfs/dbraw/zinc/48/08/87/1041480887.db2.gz PBOFRVCMNAYUHU-IBGZPJMESA-N 1 0 326.415 4.104 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1Cl ZINC000463295801 1041482340 /nfs/dbraw/zinc/48/23/40/1041482340.db2.gz PLVOSPFIHCNVIE-GPMSIDNRSA-N 1 0 333.907 4.395 20 30 EIEDRO CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000463299945 1041483450 /nfs/dbraw/zinc/48/34/50/1041483450.db2.gz IANCUBBZRXDJQS-HMXCVIKNSA-N 1 0 325.500 4.132 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000904446294 1041488510 /nfs/dbraw/zinc/48/85/10/1041488510.db2.gz YBVIAJSACLXQGN-DYESRHJHSA-N 1 0 341.499 4.274 20 30 EIEDRO C=CC(C)(C)Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000904445045 1041488668 /nfs/dbraw/zinc/48/86/68/1041488668.db2.gz YICZJQYCHPEXLW-UHFFFAOYSA-N 1 0 325.456 4.477 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480713400 1041492144 /nfs/dbraw/zinc/49/21/44/1041492144.db2.gz LYECUFXONWUJRX-ZRGWGRIASA-N 1 0 331.891 4.049 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCCC2)o1 ZINC000540591036 1041548118 /nfs/dbraw/zinc/54/81/18/1041548118.db2.gz DIOKXKTUQLAFLG-UHFFFAOYSA-N 1 0 345.240 4.473 20 30 EIEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540591063 1041548470 /nfs/dbraw/zinc/54/84/70/1041548470.db2.gz FFZIVOYRINLVMC-FGZHOGPDSA-N 1 0 339.527 4.327 20 30 EIEDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1(C)C ZINC000540609754 1041562983 /nfs/dbraw/zinc/56/29/83/1041562983.db2.gz ZHIWDEUDQKYIDG-VLLOUAPCSA-N 1 0 326.484 4.040 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)c(F)c1 ZINC000540707835 1041607797 /nfs/dbraw/zinc/60/77/97/1041607797.db2.gz AQYMNIGWBQOXIC-DYVFJYSZSA-N 1 0 343.833 4.280 20 30 EIEDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c(Cl)c1 ZINC000540708511 1041608022 /nfs/dbraw/zinc/60/80/22/1041608022.db2.gz XNQCLGKHVVWUFW-GFCCVEGCSA-N 1 0 332.806 4.253 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000539019880 1041611005 /nfs/dbraw/zinc/61/10/05/1041611005.db2.gz FAQUMVIUUZRGLA-UHFFFAOYSA-N 1 0 335.407 4.089 20 30 EIEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437089731 1041637209 /nfs/dbraw/zinc/63/72/09/1041637209.db2.gz HPIDSJIRCYZXNC-UANBCIQASA-N 1 0 327.472 4.058 20 30 EIEDRO CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000437088560 1041637422 /nfs/dbraw/zinc/63/74/22/1041637422.db2.gz YYMHFVGQDZYAOU-HNNXBMFYSA-N 1 0 325.431 4.393 20 30 EIEDRO CC1(C)CCC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000437092485 1041638254 /nfs/dbraw/zinc/63/82/54/1041638254.db2.gz DULRURTZVKYFNC-UHFFFAOYSA-N 1 0 327.472 4.202 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000437096060 1041642901 /nfs/dbraw/zinc/64/29/01/1041642901.db2.gz MMVNNNYKMLIEBC-GHBBCFCZSA-N 1 0 339.483 4.202 20 30 EIEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437108573 1041650908 /nfs/dbraw/zinc/65/09/08/1041650908.db2.gz UAXHNWTYQZWZMX-CSODTCANSA-N 1 0 327.472 4.058 20 30 EIEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437108572 1041651811 /nfs/dbraw/zinc/65/18/11/1041651811.db2.gz UAXHNWTYQZWZMX-BTRQGYIVSA-N 1 0 327.472 4.058 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437108880 1041652492 /nfs/dbraw/zinc/65/24/92/1041652492.db2.gz OZYFDEYMSOPGPU-VIQWUECVSA-N 1 0 327.472 4.368 20 30 EIEDRO CC[C@@H](CC#N)N[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000516782345 1041751654 /nfs/dbraw/zinc/75/16/54/1041751654.db2.gz OLTJDGLZWQDKRD-HOTGVXAUSA-N 1 0 337.423 4.088 20 30 EIEDRO C=CCSCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000540977025 1041760649 /nfs/dbraw/zinc/76/06/49/1041760649.db2.gz XIEOXAACFHZBNZ-AWEZNQCLSA-N 1 0 330.266 4.084 20 30 EIEDRO CCCOc1ccc(C[NH+]2CCC(CC#N)CC2)c(OCCC)c1 ZINC000540995637 1041764601 /nfs/dbraw/zinc/76/46/01/1041764601.db2.gz WMJVRQKLEBPSNU-UHFFFAOYSA-N 1 0 330.472 4.390 20 30 EIEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000460351009 1041785714 /nfs/dbraw/zinc/78/57/14/1041785714.db2.gz LXMYPVYVHOXMNA-XJKSGUPXSA-N 1 0 333.863 4.099 20 30 EIEDRO CC[N@H+](CCCCOc1ccccc1C(F)(F)F)C[C@@H](C)C#N ZINC000506055792 1041819571 /nfs/dbraw/zinc/81/95/71/1041819571.db2.gz HIYIFDBAQOUKPJ-AWEZNQCLSA-N 1 0 328.378 4.346 20 30 EIEDRO Cc1cc(CNc2cc(Cl)ccc2C#N)cc(N2CCCC2)n1 ZINC000517208276 1041907214 /nfs/dbraw/zinc/90/72/14/1041907214.db2.gz CBCBVBYNHFUFRE-UHFFFAOYSA-N 1 0 326.831 4.127 20 30 EIEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437894210 1041952835 /nfs/dbraw/zinc/95/28/35/1041952835.db2.gz HHQCTMAUSXETQV-HUUCEWRRSA-N 1 0 340.439 4.266 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000517417273 1042011778 /nfs/dbraw/zinc/01/17/78/1042011778.db2.gz KDRZJSDTGCJEBX-IRXDYDNUSA-N 1 0 345.487 4.026 20 30 EIEDRO C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCCC#N ZINC000541569827 1042019194 /nfs/dbraw/zinc/01/91/94/1042019194.db2.gz AKZZRAJAUYEGOG-ZDUSSCGKSA-N 1 0 347.256 4.263 20 30 EIEDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000541613990 1042037123 /nfs/dbraw/zinc/03/71/23/1042037123.db2.gz WGIALBRDMIUPAV-HIFRSBDPSA-N 1 0 344.503 4.054 20 30 EIEDRO CC(C)(C#N)CCC[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464587138 1042076603 /nfs/dbraw/zinc/07/66/03/1042076603.db2.gz KNHIFPUYAUMQQQ-UHFFFAOYSA-N 1 0 344.499 4.266 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000464651366 1042106752 /nfs/dbraw/zinc/10/67/52/1042106752.db2.gz RPFSXVCVNAXRJB-GOSISDBHSA-N 1 0 328.500 4.137 20 30 EIEDRO CC(C)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000438341857 1042145300 /nfs/dbraw/zinc/14/53/00/1042145300.db2.gz PQDBVXMQUQUROS-LJQANCHMSA-N 1 0 336.483 4.332 20 30 EIEDRO N#Cc1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)c(F)c1 ZINC000426005126 1042181750 /nfs/dbraw/zinc/18/17/50/1042181750.db2.gz WUZZTACNDYXAFY-UHFFFAOYSA-N 1 0 326.337 4.442 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438478156 1042200633 /nfs/dbraw/zinc/20/06/33/1042200633.db2.gz VNKNLDTVXCMGLH-BJMVHTGZSA-N 1 0 327.472 4.059 20 30 EIEDRO Cc1sc(NC(=O)C[N@@H+](C)C2CCC(C)(C)CC2)c(C#N)c1C ZINC000438494123 1042210239 /nfs/dbraw/zinc/21/02/39/1042210239.db2.gz SBMYDQKOAHWUPA-UHFFFAOYSA-N 1 0 333.501 4.076 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000517889591 1042241040 /nfs/dbraw/zinc/24/10/40/1042241040.db2.gz YSMJHWMNFGVNEO-UZLBHIALSA-N 1 0 334.463 4.409 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000506312610 1042297847 /nfs/dbraw/zinc/29/78/47/1042297847.db2.gz NXWQUHUXJMATTD-UHFFFAOYSA-N 1 0 337.463 4.433 20 30 EIEDRO N#CC1(CCC[N@@H+](Cc2ccc(F)cc2F)C2CC2)CCOCC1 ZINC000282099444 1042355555 /nfs/dbraw/zinc/35/55/55/1042355555.db2.gz VZHAZVQUOXZACD-UHFFFAOYSA-N 1 0 334.410 4.030 20 30 EIEDRO C=CCc1cc(C[N@@H+](CC)[C@@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000509558488 1042379177 /nfs/dbraw/zinc/37/91/77/1042379177.db2.gz PQOKUPSPVRAYEK-HNNXBMFYSA-N 1 0 341.451 4.418 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OC(F)F)c(OC)c1 ZINC000491342850 1042416297 /nfs/dbraw/zinc/41/62/97/1042416297.db2.gz LCYSCHDBIINWAZ-UHFFFAOYSA-N 1 0 337.366 4.120 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCOC1)C1CC1 ZINC000438981007 1042450964 /nfs/dbraw/zinc/45/09/64/1042450964.db2.gz TVZLDXFUXYQUJV-PXNSSMCTSA-N 1 0 329.484 4.245 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H](c1ccccc1OC)N1CCCC1)C1CC1 ZINC000439075746 1042487053 /nfs/dbraw/zinc/48/70/53/1042487053.db2.gz HHLSMUNMOVSKNA-VQTJNVASSA-N 1 0 328.500 4.167 20 30 EIEDRO CCCOCc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271915111 1042517695 /nfs/dbraw/zinc/51/76/95/1042517695.db2.gz GGNLFMIYDGTGKB-OAHLLOKOSA-N 1 0 326.415 4.475 20 30 EIEDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271919009 1042519125 /nfs/dbraw/zinc/51/91/25/1042519125.db2.gz HCYHHFYTODTJBB-CQSZACIVSA-N 1 0 339.414 4.287 20 30 EIEDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271919008 1042519504 /nfs/dbraw/zinc/51/95/04/1042519504.db2.gz HCYHHFYTODTJBB-AWEZNQCLSA-N 1 0 339.414 4.287 20 30 EIEDRO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000271930939 1042520402 /nfs/dbraw/zinc/52/04/02/1042520402.db2.gz IEJYXGAZQQCMGO-HNNXBMFYSA-N 1 0 329.463 4.145 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3ccccc3Br)CCC2)C1 ZINC000426326998 1042559892 /nfs/dbraw/zinc/55/98/92/1042559892.db2.gz OMDPJMMVFKNDQP-KBPBESRZSA-N 1 0 333.273 4.153 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)/C=C\c1ccc(C#N)cc1 ZINC000492213997 1042576574 /nfs/dbraw/zinc/57/65/74/1042576574.db2.gz MGYGMMOQQMDNHD-KHPPLWFESA-N 1 0 345.446 4.114 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCCc3sc(Cl)cc32)ccc1C#N ZINC000492258158 1042590527 /nfs/dbraw/zinc/59/05/27/1042590527.db2.gz MEFINAFPRIQEFE-AWEZNQCLSA-N 1 0 332.856 4.449 20 30 EIEDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271984609 1042611217 /nfs/dbraw/zinc/61/12/17/1042611217.db2.gz ZWFPADOTVCWWHT-AWEZNQCLSA-N 1 0 336.414 4.096 20 30 EIEDRO Cn1cccc1[C@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426374823 1042611907 /nfs/dbraw/zinc/61/19/07/1042611907.db2.gz ZCBVVMZXVYKFNW-GOSISDBHSA-N 1 0 332.369 4.233 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1-n1cccn1 ZINC000439448605 1042633704 /nfs/dbraw/zinc/63/37/04/1042633704.db2.gz HEOXMGGUXGBDNM-CQSZACIVSA-N 1 0 336.826 4.248 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccc(C#N)c(F)c1 ZINC000272028147 1042668236 /nfs/dbraw/zinc/66/82/36/1042668236.db2.gz OHYNYLKBVPHSCG-KPZWWZAWSA-N 1 0 328.362 4.401 20 30 EIEDRO Cc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)o1 ZINC000518762130 1042670435 /nfs/dbraw/zinc/67/04/35/1042670435.db2.gz AGSWEBMCCURION-UHFFFAOYSA-N 1 0 346.430 4.371 20 30 EIEDRO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H](C)C(C)C ZINC000174863821 1042717271 /nfs/dbraw/zinc/71/72/71/1042717271.db2.gz OYUZJNQKIZLDPE-INIZCTEOSA-N 1 0 325.456 4.104 20 30 EIEDRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443993209 1042724207 /nfs/dbraw/zinc/72/42/07/1042724207.db2.gz KPEJKCIUHMROGM-FCHUYYIVSA-N 1 0 334.463 4.433 20 30 EIEDRO Cc1cccc(OCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000519036447 1042799070 /nfs/dbraw/zinc/79/90/70/1042799070.db2.gz ZAGDNJYWXFQSRE-UHFFFAOYSA-N 1 0 334.341 4.054 20 30 EIEDRO CC[C@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000507767878 1042860036 /nfs/dbraw/zinc/86/00/36/1042860036.db2.gz QBAYNJHYLIHFJX-WEOZKBJRSA-N 1 0 327.472 4.202 20 30 EIEDRO Cc1ccc(C)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000507768835 1042861705 /nfs/dbraw/zinc/86/17/05/1042861705.db2.gz UKELHUHVZHTTOD-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000067401001 1042882605 /nfs/dbraw/zinc/88/26/05/1042882605.db2.gz DPNXMBAIXNGJGE-FQEVSTJZSA-N 1 0 340.854 4.157 20 30 EIEDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000574814802 1042977794 /nfs/dbraw/zinc/97/77/94/1042977794.db2.gz JZGISHNQOSTAMD-CZUORRHYSA-N 1 0 333.863 4.051 20 30 EIEDRO C=CCn1c(C)cc(C(=O)CN(C)Cc2cccc3[nH]ccc32)c1C ZINC000494100724 1043017841 /nfs/dbraw/zinc/01/78/41/1043017841.db2.gz YZHHSXHADFQYHY-UHFFFAOYSA-N 1 0 335.451 4.087 20 30 EIEDRO C=CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000427645189 1043106721 /nfs/dbraw/zinc/10/67/21/1043106721.db2.gz MHFJYHRHDXTBPV-BDTNDASRSA-N 1 0 348.490 4.298 20 30 EIEDRO C=CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000427659544 1043148056 /nfs/dbraw/zinc/14/80/56/1043148056.db2.gz JZXNGCOHWHWONT-FPOVZHCZSA-N 1 0 342.527 4.221 20 30 EIEDRO CC(C)[N@@H+]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000507849376 1043152723 /nfs/dbraw/zinc/15/27/23/1043152723.db2.gz YZZZMXKMKFANJY-UHFFFAOYSA-N 1 0 333.479 4.141 20 30 EIEDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000554971953 1043196931 /nfs/dbraw/zinc/19/69/31/1043196931.db2.gz FHHTWUZMLLZBFZ-CVEARBPZSA-N 1 0 340.389 4.260 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCc2ccc(Br)cc2F)C1 ZINC000185828990 1043224864 /nfs/dbraw/zinc/22/48/64/1043224864.db2.gz LIYIWIWUBDHPNT-WFASDCNBSA-N 1 0 339.252 4.193 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c(OC2CCCC2)c1 ZINC000185850760 1043225858 /nfs/dbraw/zinc/22/58/58/1043225858.db2.gz HFTBHPIEZUSRGH-DOTOQJQBSA-N 1 0 328.456 4.189 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1Br ZINC000030912874 1043235040 /nfs/dbraw/zinc/23/50/40/1043235040.db2.gz CDMMQMAONULWDJ-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO C=CCC[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000427922035 1043264072 /nfs/dbraw/zinc/26/40/72/1043264072.db2.gz ACGGOUPGNBSYAS-AZUAARDMSA-N 1 0 328.500 4.117 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000467432745 1043270287 /nfs/dbraw/zinc/27/02/87/1043270287.db2.gz MUUUVSMRVXEIIT-SFHVURJKSA-N 1 0 346.352 4.276 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC001168751099 1043272498 /nfs/dbraw/zinc/27/24/98/1043272498.db2.gz PHNKFEBTLIBXFG-QGZVFWFLSA-N 1 0 330.435 4.212 20 30 EIEDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543557715 1043318273 /nfs/dbraw/zinc/31/82/73/1043318273.db2.gz GLIJHRCIZRKLGB-LEWJYISDSA-N 1 0 341.401 4.168 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000187371365 1043346341 /nfs/dbraw/zinc/34/63/41/1043346341.db2.gz GVDDYGLSCCZDMQ-IBGZPJMESA-N 1 0 331.362 4.143 20 30 EIEDRO C=CCC[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000188911052 1043385844 /nfs/dbraw/zinc/38/58/44/1043385844.db2.gz FOZMYURKUDSJPI-ROUUACIJSA-N 1 0 342.508 4.217 20 30 EIEDRO CC(C)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000499605208 1043404697 /nfs/dbraw/zinc/40/46/97/1043404697.db2.gz ICWPWGIZPWCUPL-SFHVURJKSA-N 1 0 336.426 4.352 20 30 EIEDRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000494294108 1043410728 /nfs/dbraw/zinc/41/07/28/1043410728.db2.gz WHTSLTCUJKFKKI-MRXNPFEDSA-N 1 0 345.240 4.327 20 30 EIEDRO N#Cc1ccc(F)c(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000609194916 1043448603 /nfs/dbraw/zinc/44/86/03/1043448603.db2.gz QQMFXZIVFLJDNH-UHFFFAOYSA-N 1 0 330.353 4.355 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CCCCC)c2ccccc2)CC1 ZINC000730128491 1043449623 /nfs/dbraw/zinc/44/96/23/1043449623.db2.gz QFMJPPGMSBUUAN-HXUWFJFHSA-N 1 0 343.515 4.258 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2c(C)noc2C)ccc1OC ZINC000113957736 1043463445 /nfs/dbraw/zinc/46/34/45/1043463445.db2.gz JMGYXDCDVMUFQZ-ZDUSSCGKSA-N 1 0 330.428 4.106 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000494445926 1043490044 /nfs/dbraw/zinc/49/00/44/1043490044.db2.gz SQMFZUGKLNVLJZ-RBUKOAKNSA-N 1 0 346.257 4.465 20 30 EIEDRO C[C@H](CNc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000521085449 1043520926 /nfs/dbraw/zinc/52/09/26/1043520926.db2.gz XKZMISCHHORMBC-GFCCVEGCSA-N 1 0 331.872 4.132 20 30 EIEDRO COc1ccc(O)c(/C=N\Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000730548359 1043554220 /nfs/dbraw/zinc/55/42/20/1043554220.db2.gz JANPYFPMLNIEDO-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO CCOc1ccc(O)c(/C=N\Cc2ccccc2C[NH+]2CCCC2)c1 ZINC000730550481 1043554358 /nfs/dbraw/zinc/55/43/58/1043554358.db2.gz VRPWABQMUCGXDZ-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CCCC[NH+]1CCCC1 ZINC000731025897 1043679877 /nfs/dbraw/zinc/67/98/77/1043679877.db2.gz PXSPNUIVWZSGDZ-INIZCTEOSA-N 1 0 345.512 4.143 20 30 EIEDRO CC(C)(C)[NH+]1CCC(Nc2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000171819204 1043681647 /nfs/dbraw/zinc/68/16/47/1043681647.db2.gz PIZBHONRYREKGH-UHFFFAOYSA-N 1 0 344.409 4.059 20 30 EIEDRO C[N@H+](CCc1cccc2ccccc21)Cc1ccc(OCC#N)cc1 ZINC000731212917 1043714680 /nfs/dbraw/zinc/71/46/80/1043714680.db2.gz XANBXOPFGHPBPQ-UHFFFAOYSA-N 1 0 330.431 4.417 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2cccs2)n1 ZINC000731658045 1043809725 /nfs/dbraw/zinc/80/97/25/1043809725.db2.gz DSLSQQNVECROFJ-UHFFFAOYSA-N 1 0 336.464 4.353 20 30 EIEDRO C[C@@H](CCc1ccccc1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000543097694 1043814664 /nfs/dbraw/zinc/81/46/64/1043814664.db2.gz UYTSCMIGPKYPHY-RPCJCACASA-N 1 0 349.478 4.254 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442825937 1043848617 /nfs/dbraw/zinc/84/86/17/1043848617.db2.gz NKTFKFRMHLMQTO-JLJPHGGASA-N 1 0 327.390 4.116 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442825939 1043849288 /nfs/dbraw/zinc/84/92/88/1043849288.db2.gz NKTFKFRMHLMQTO-QRTARXTBSA-N 1 0 327.390 4.116 20 30 EIEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000439055676 1043856624 /nfs/dbraw/zinc/85/66/24/1043856624.db2.gz JNEQIABOAFLFHQ-KRWDZBQOSA-N 1 0 347.462 4.493 20 30 EIEDRO CCC(CC)(C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000442836667 1043861110 /nfs/dbraw/zinc/86/11/10/1043861110.db2.gz OJDKLDNMNDROAU-RDJZCZTQSA-N 1 0 330.472 4.043 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442863454 1043867844 /nfs/dbraw/zinc/86/78/44/1043867844.db2.gz RBIWVXISWRAZAU-FHERZECASA-N 1 0 347.890 4.285 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000442865612 1043868826 /nfs/dbraw/zinc/86/88/26/1043868826.db2.gz INSSQXXQGSBJHM-PYJNHQTQSA-N 1 0 337.236 4.116 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000442874234 1043873644 /nfs/dbraw/zinc/87/36/44/1043873644.db2.gz STPXLAMLYCBMOZ-NODKNVJMSA-N 1 0 341.405 4.369 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000487422083 1043951712 /nfs/dbraw/zinc/95/17/12/1043951712.db2.gz RDBTZDLYHBGBDA-UWJYYQICSA-N 1 0 334.463 4.450 20 30 EIEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000543139991 1043956007 /nfs/dbraw/zinc/95/60/07/1043956007.db2.gz HFADVWJKUWMFQL-HXUWFJFHSA-N 1 0 336.435 4.107 20 30 EIEDRO COc1cc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)ccc1C#N ZINC000443071282 1043988622 /nfs/dbraw/zinc/98/86/22/1043988622.db2.gz PQKKJMWPLKYOKY-UHFFFAOYSA-N 1 0 338.373 4.312 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCc2ccco2)c1 ZINC000521823145 1044012110 /nfs/dbraw/zinc/01/21/10/1044012110.db2.gz LEJMGIKMTNJLQQ-UHFFFAOYSA-N 1 0 332.403 4.063 20 30 EIEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000390708476 1044057628 /nfs/dbraw/zinc/05/76/28/1044057628.db2.gz VZMDZFPRWWYROD-LJQANCHMSA-N 1 0 339.508 4.010 20 30 EIEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000732987229 1044063502 /nfs/dbraw/zinc/06/35/02/1044063502.db2.gz RKLVERFUHLHDNY-LJQANCHMSA-N 1 0 328.362 4.052 20 30 EIEDRO CCOc1ccc(C2=CC[N@H+](Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000543187771 1044066255 /nfs/dbraw/zinc/06/62/55/1044066255.db2.gz IXJBZKBAHIFWCK-UHFFFAOYSA-N 1 0 332.447 4.441 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000067978612 1044089122 /nfs/dbraw/zinc/08/91/22/1044089122.db2.gz FSXSBLANWGDYOO-CYBMUJFWSA-N 1 0 334.341 4.350 20 30 EIEDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000543206845 1044133051 /nfs/dbraw/zinc/13/30/51/1044133051.db2.gz DGLLTXWFZQXVIR-CVDCTZTESA-N 1 0 347.506 4.238 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000733328602 1044193268 /nfs/dbraw/zinc/19/32/68/1044193268.db2.gz VZVCJSVOWJBCEK-UGKGYDQZSA-N 1 0 348.490 4.014 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CC(C)(C)c2ccc(OC)cc2)cc1 ZINC000733328205 1044194275 /nfs/dbraw/zinc/19/42/75/1044194275.db2.gz KZGISWPJMBHWCE-UHFFFAOYSA-N 1 0 337.463 4.165 20 30 EIEDRO Cc1ccccc1CN1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000173949491 1044196743 /nfs/dbraw/zinc/19/67/43/1044196743.db2.gz ZHHXMNVIMQPPBG-GOSISDBHSA-N 1 0 333.479 4.182 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246277303 1044289085 /nfs/dbraw/zinc/28/90/85/1044289085.db2.gz BXFICCDEXYYJSG-UYAOXDASSA-N 1 0 325.500 4.063 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(N=Nc3ncnc4sccc43)CC2)C1 ZINC000733744252 1044297188 /nfs/dbraw/zinc/29/71/88/1044297188.db2.gz FJBFTGWKTUNPEK-DZGCQCFKSA-N 1 0 343.500 4.134 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C/C=C\c2ccccc2OC)c1 ZINC000733801401 1044311923 /nfs/dbraw/zinc/31/19/23/1044311923.db2.gz ZFCLOJUAIQVUCR-JNLAIUADSA-N 1 0 336.435 4.179 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cc1F ZINC000237252033 1044323788 /nfs/dbraw/zinc/32/37/88/1044323788.db2.gz VQRIBDJCRWIIIT-HNNXBMFYSA-N 1 0 342.414 4.368 20 30 EIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000246755153 1044358717 /nfs/dbraw/zinc/35/87/17/1044358717.db2.gz NNERYMQZMGLDMQ-FUHIMQAGSA-N 1 0 347.462 4.011 20 30 EIEDRO N#Cc1cccc([C@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)c1 ZINC000761758495 1044443629 /nfs/dbraw/zinc/44/36/29/1044443629.db2.gz ZKBCQGZNKCZKTM-JOCHJYFZSA-N 1 0 328.415 4.285 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N/CC[N@@H+]1CCc2ccccc2C1 ZINC000914556715 1044477743 /nfs/dbraw/zinc/47/77/43/1044477743.db2.gz FPQATGKZHHUSBR-HZHRSRAPSA-N 1 0 330.431 4.023 20 30 EIEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474096876 1044478164 /nfs/dbraw/zinc/47/81/64/1044478164.db2.gz KLIUEWJOLPZWHF-BXUZGUMPSA-N 1 0 327.255 4.043 20 30 EIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2nc(C3CC3)cs2)cc1 ZINC000153227582 1044503391 /nfs/dbraw/zinc/50/33/91/1044503391.db2.gz YAHGNGBMEAQBHL-GFCCVEGCSA-N 1 0 328.485 4.461 20 30 EIEDRO Cc1cc(C(F)(F)F)c(C#N)c(SCCC[NH+]2CCCCC2)n1 ZINC000466452641 1044519712 /nfs/dbraw/zinc/51/97/12/1044519712.db2.gz DBCNAVPMPOTCJQ-UHFFFAOYSA-N 1 0 343.418 4.249 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCSC2)cc1 ZINC000494936954 1044535309 /nfs/dbraw/zinc/53/53/09/1044535309.db2.gz CZDPXMVSQABZSC-IBGZPJMESA-N 1 0 340.467 4.453 20 30 EIEDRO CCOc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000494971050 1044551470 /nfs/dbraw/zinc/55/14/70/1044551470.db2.gz DWVPMHRPZJRNRU-UHFFFAOYSA-N 1 0 336.410 4.385 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1C#N ZINC000466471088 1044573179 /nfs/dbraw/zinc/57/31/79/1044573179.db2.gz AYZDCRCTPNUNDW-HDJSIYSDSA-N 1 0 334.250 4.239 20 30 EIEDRO C[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H](C)C1 ZINC000443644951 1044602169 /nfs/dbraw/zinc/60/21/69/1044602169.db2.gz ZOVRZXRHSUDYJB-SJORKVTESA-N 1 0 337.467 4.106 20 30 EIEDRO C=CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000495049218 1044614374 /nfs/dbraw/zinc/61/43/74/1044614374.db2.gz QZBUYRIFGKSAPV-YADHBBJMSA-N 1 0 348.490 4.127 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495066558 1044634061 /nfs/dbraw/zinc/63/40/61/1044634061.db2.gz MAIIFCXQMSVYOY-YOEHRIQHSA-N 1 0 335.900 4.460 20 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/nfs/dbraw/zinc/72/08/52/1044720852.db2.gz RLEPPEQGRBHKCD-PZJWPPBQSA-N 1 0 334.467 4.134 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3ccc4ncccc4c3)cc2)CC1 ZINC000922475309 1044757873 /nfs/dbraw/zinc/75/78/73/1044757873.db2.gz ISOLZRCTCOJJIV-UHFFFAOYSA-N 1 0 327.431 4.122 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(COC)cc2)c(O)c1 ZINC000914773474 1044763229 /nfs/dbraw/zinc/76/32/29/1044763229.db2.gz IUMKYWIQEGFYMY-STZFKDTASA-N 1 0 326.440 4.004 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1 ZINC000428865695 1044768275 /nfs/dbraw/zinc/76/82/75/1044768275.db2.gz WZUKUEYBAXFYAY-OAHLLOKOSA-N 1 0 341.480 4.420 20 30 EIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735306496 1044782871 /nfs/dbraw/zinc/78/28/71/1044782871.db2.gz OIIFWTXMMSDNQE-CQSZACIVSA-N 1 0 344.842 4.444 20 30 EIEDRO COc1ccc([C@H](C)[N@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735306494 1044784735 /nfs/dbraw/zinc/78/47/35/1044784735.db2.gz OIIFWTXMMSDNQE-AWEZNQCLSA-N 1 0 344.842 4.444 20 30 EIEDRO CCCO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309772 1044797654 /nfs/dbraw/zinc/79/76/54/1044797654.db2.gz TYINZDAZLMZNAE-KRWDZBQOSA-N 1 0 336.863 4.023 20 30 EIEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCc2ccccc2C1 ZINC000735311183 1044800856 /nfs/dbraw/zinc/80/08/56/1044800856.db2.gz LWCRESYEAPFRLJ-IBGZPJMESA-N 1 0 340.854 4.232 20 30 EIEDRO CC[N@H+](Cc1ccoc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000092935788 1044809779 /nfs/dbraw/zinc/80/97/79/1044809779.db2.gz MXXRJFSKZYXJBH-UHFFFAOYSA-N 1 0 334.423 4.079 20 30 EIEDRO Clc1ccccc1C#CCN1CCC2(CC1)OCc1ccccc12 ZINC000676716048 1044826752 /nfs/dbraw/zinc/82/67/52/1044826752.db2.gz YYEHACNSDTYRGD-UHFFFAOYSA-N 1 0 337.850 4.213 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC001168484252 1044857846 /nfs/dbraw/zinc/85/78/46/1044857846.db2.gz AQHMVFCVGXFCRH-SFTDATJTSA-N 1 0 339.479 4.340 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@@]3(c4ccccc4)CCCO3)cc2)CC1 ZINC000922962631 1044881674 /nfs/dbraw/zinc/88/16/74/1044881674.db2.gz ISGIOLYIDJLLCG-JOCHJYFZSA-N 1 0 332.447 4.037 20 30 EIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000922761033 1044930677 /nfs/dbraw/zinc/93/06/77/1044930677.db2.gz DYWKTXRKOJNCFO-UHFFFAOYSA-N 1 0 344.462 4.018 20 30 EIEDRO Cc1oc(NC(=O)C[N@@H+](C)[C@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000155800578 1044956545 /nfs/dbraw/zinc/95/65/45/1044956545.db2.gz HTLIKRCBDWGWSY-IBGZPJMESA-N 1 0 339.439 4.036 20 30 EIEDRO C[NH+](C)CC[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccnc1 ZINC000895893646 1044966912 /nfs/dbraw/zinc/96/69/12/1044966912.db2.gz YOXQEFRNLRMJJQ-KRWDZBQOSA-N 1 0 348.372 4.077 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000303282286 1044975831 /nfs/dbraw/zinc/97/58/31/1044975831.db2.gz FPHBUCFBDQEFIV-LJQANCHMSA-N 1 0 343.515 4.114 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000542557766 1045131456 /nfs/dbraw/zinc/13/14/56/1045131456.db2.gz ZUVAZECQWZVADK-AWEZNQCLSA-N 1 0 347.871 4.343 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161918966 1045183788 /nfs/dbraw/zinc/18/37/88/1045183788.db2.gz XWTRLTQJZWPBKM-ACJLOTCBSA-N 1 0 349.400 4.030 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccncc1 ZINC000766017333 1045184500 /nfs/dbraw/zinc/18/45/00/1045184500.db2.gz ABJQTJHIXMESHP-LAUBAEHRSA-N 1 0 332.451 4.294 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000766018915 1045201079 /nfs/dbraw/zinc/20/10/79/1045201079.db2.gz JRFOMBQIYAUZKB-BWAGFHJFSA-N 1 0 335.495 4.342 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccncc1 ZINC000766020551 1045224257 /nfs/dbraw/zinc/22/42/57/1045224257.db2.gz QIHYSZUYMSTCGP-HNAYVOBHSA-N 1 0 337.423 4.006 20 30 EIEDRO CCC[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC000740888615 1045238379 /nfs/dbraw/zinc/23/83/79/1045238379.db2.gz RYVWGKCBTUSZKU-OALUTQOASA-N 1 0 330.472 4.005 20 30 EIEDRO COc1ncc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1Cl ZINC000611032723 1045246956 /nfs/dbraw/zinc/24/69/56/1045246956.db2.gz OUSBYPTZWQNQAY-UHFFFAOYSA-N 1 0 329.831 4.026 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000429120894 1045249614 /nfs/dbraw/zinc/24/96/14/1045249614.db2.gz IVXFFGZKDQULFP-ACJLOTCBSA-N 1 0 331.868 4.045 20 30 EIEDRO N#Cc1cc(C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)ccn1 ZINC000611243806 1045266452 /nfs/dbraw/zinc/26/64/52/1045266452.db2.gz VOQLVOZGWJMAJP-UHFFFAOYSA-N 1 0 340.430 4.180 20 30 EIEDRO COc1ccccc1C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)C(C)C ZINC000542563598 1045277210 /nfs/dbraw/zinc/27/72/10/1045277210.db2.gz OPAMFYTXONIFSR-IBGZPJMESA-N 1 0 326.415 4.063 20 30 EIEDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000611335890 1045281088 /nfs/dbraw/zinc/28/10/88/1045281088.db2.gz LJVZCGSQWIQVOO-NNFZLKSESA-N 1 0 348.490 4.145 20 30 EIEDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000611335887 1045281266 /nfs/dbraw/zinc/28/12/66/1045281266.db2.gz LJVZCGSQWIQVOO-CCKJBCASSA-N 1 0 348.490 4.145 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000611385898 1045295460 /nfs/dbraw/zinc/29/54/60/1045295460.db2.gz HVGOFAXCFRSXDJ-KRWDZBQOSA-N 1 0 333.357 4.459 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccccc1Br)c1cccc(C#N)c1 ZINC000611386068 1045295861 /nfs/dbraw/zinc/29/58/61/1045295861.db2.gz BTHZZVYIMNCMFM-CYBMUJFWSA-N 1 0 345.240 4.050 20 30 EIEDRO Cc1csc(CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611392460 1045296743 /nfs/dbraw/zinc/29/67/43/1045296743.db2.gz WCLAXTRXPKZSSO-SFHVURJKSA-N 1 0 325.481 4.313 20 30 EIEDRO CC(C)(C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000611376691 1045297745 /nfs/dbraw/zinc/29/77/45/1045297745.db2.gz GRRNREHPVKSSBE-UHFFFAOYSA-N 1 0 349.478 4.211 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000611393277 1045299027 /nfs/dbraw/zinc/29/90/27/1045299027.db2.gz BANLPHPAJYKRJA-BAGYTPMASA-N 1 0 332.447 4.303 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000611390321 1045301942 /nfs/dbraw/zinc/30/19/42/1045301942.db2.gz SCIXXFCYKTVQOG-LEWJYISDSA-N 1 0 349.478 4.345 20 30 EIEDRO CCC(=O)Nc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390878 1045302768 /nfs/dbraw/zinc/30/27/68/1045302768.db2.gz IPCRDMHIJTUGOG-FQEVSTJZSA-N 1 0 333.435 4.074 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000611438297 1045307928 /nfs/dbraw/zinc/30/79/28/1045307928.db2.gz IHAMXRWSNTVYBU-JOCHJYFZSA-N 1 0 339.527 4.471 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)C1CCCCC1 ZINC000611433735 1045308223 /nfs/dbraw/zinc/30/82/23/1045308223.db2.gz OMZJOCYHNWVTLZ-INIZCTEOSA-N 1 0 333.501 4.124 20 30 EIEDRO COc1c(Br)cccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611438702 1045308333 /nfs/dbraw/zinc/30/83/33/1045308333.db2.gz LIISRPZMUKNHAN-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611439458 1045308590 /nfs/dbraw/zinc/30/85/90/1045308590.db2.gz OXKAKXHFXOZQIN-OREJSRFESA-N 1 0 338.426 4.441 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)ccc1OC ZINC000237262435 1045379707 /nfs/dbraw/zinc/37/97/07/1045379707.db2.gz IPUJGQASCKMSLJ-INIZCTEOSA-N 1 0 341.451 4.077 20 30 EIEDRO CC[N@H+](Cc1cc(F)cc2c1OCOC2)[C@H](C)c1ccc(C#N)cc1 ZINC000193759605 1045462580 /nfs/dbraw/zinc/46/25/80/1045462580.db2.gz BQPAEAUELFEZCA-CQSZACIVSA-N 1 0 340.398 4.147 20 30 EIEDRO Cc1cc(CNC2CC[NH+](CC3CCCCC3)CC2)ccc1C#N ZINC000767693802 1045598375 /nfs/dbraw/zinc/59/83/75/1045598375.db2.gz OTKYGZFXIYGXMF-UHFFFAOYSA-N 1 0 325.500 4.001 20 30 EIEDRO Cc1cc(C[NH2+][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)ccc1C#N ZINC000767688371 1045612673 /nfs/dbraw/zinc/61/26/73/1045612673.db2.gz CVDGUGWWEZPDNM-KZULUSFZSA-N 1 0 349.261 4.385 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCCC(C)(C)C2)ccc1OC ZINC000767916714 1045671499 /nfs/dbraw/zinc/67/14/99/1045671499.db2.gz KPXBHQKZZBBRAM-IRXDYDNUSA-N 1 0 330.472 4.435 20 30 EIEDRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1ccc(C#N)cc1 ZINC000533638697 1045675714 /nfs/dbraw/zinc/67/57/14/1045675714.db2.gz LRSRRNJJOWPFNH-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000768168941 1045732463 /nfs/dbraw/zinc/73/24/63/1045732463.db2.gz AGOALGHNZPMQBS-UHFFFAOYSA-N 1 0 327.859 4.322 20 30 EIEDRO C[C@H]1CC[C@@H]([NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)C1 ZINC001170154349 1045736393 /nfs/dbraw/zinc/73/63/93/1045736393.db2.gz XWFLDNHEADZXJQ-WMLDXEAASA-N 1 0 347.300 4.495 20 30 EIEDRO CCC[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000194410759 1045747585 /nfs/dbraw/zinc/74/75/85/1045747585.db2.gz VYASZHAVWCHZRA-INIZCTEOSA-N 1 0 327.453 4.079 20 30 EIEDRO CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763236753 1045787548 /nfs/dbraw/zinc/78/75/48/1045787548.db2.gz SRBUFOUQUJZXSL-JOCHJYFZSA-N 1 0 330.431 4.267 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000768329483 1045788993 /nfs/dbraw/zinc/78/89/93/1045788993.db2.gz FWEYVVUMAFWSEY-IBGZPJMESA-N 1 0 325.481 4.435 20 30 EIEDRO Cc1ccccc1[C@H](O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768402576 1045802508 /nfs/dbraw/zinc/80/25/08/1045802508.db2.gz MGRJRUCIKVGBSX-NJEKYYFSSA-N 1 0 334.463 4.022 20 30 EIEDRO C[C@H](COc1ccccc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768400941 1045802865 /nfs/dbraw/zinc/80/28/65/1045802865.db2.gz IKVAAATZKHGFBT-HOHBBMLPSA-N 1 0 334.463 4.448 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1ccccc1 ZINC000743472755 1045816391 /nfs/dbraw/zinc/81/63/91/1045816391.db2.gz IXUZILLTKPENSD-RXVVDRJESA-N 1 0 349.478 4.371 20 30 EIEDRO CC[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1OC ZINC000609239551 1045822816 /nfs/dbraw/zinc/82/28/16/1045822816.db2.gz RUJAMKYAGDOMBU-CQSZACIVSA-N 1 0 342.414 4.173 20 30 EIEDRO C=CCCCN(C)Cc1c(Br)cncc1Br ZINC000560364305 1045850327 /nfs/dbraw/zinc/85/03/27/1045850327.db2.gz UBVOLPNXWRWMSP-UHFFFAOYSA-N 1 0 348.082 4.005 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(COC)c2)c(O)c1 ZINC000915979350 1045851624 /nfs/dbraw/zinc/85/16/24/1045851624.db2.gz NZKUXIXGNHWJOX-STZFKDTASA-N 1 0 326.440 4.004 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)c(F)c1 ZINC000792206265 1045878226 /nfs/dbraw/zinc/87/82/26/1045878226.db2.gz IQCJJRSDIWDPCZ-UHFFFAOYSA-N 1 0 325.431 4.174 20 30 EIEDRO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248908987 1045887479 /nfs/dbraw/zinc/88/74/79/1045887479.db2.gz VCPOSFVPXKZVOR-NVQRDWNXSA-N 1 0 349.881 4.144 20 30 EIEDRO C=CCCC[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000496295597 1045901825 /nfs/dbraw/zinc/90/18/25/1045901825.db2.gz RNHFBTFWIJJTCG-CQSZACIVSA-N 1 0 333.476 4.032 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000249826506 1045904591 /nfs/dbraw/zinc/90/45/91/1045904591.db2.gz QORGCQRFTBIJKO-FGZHOGPDSA-N 1 0 349.478 4.046 20 30 EIEDRO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496350399 1045912110 /nfs/dbraw/zinc/91/21/10/1045912110.db2.gz WIZUBKGQVPBMKQ-SJORKVTESA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496350396 1045913512 /nfs/dbraw/zinc/91/35/12/1045913512.db2.gz WIZUBKGQVPBMKQ-IAGOWNOFSA-N 1 0 349.519 4.086 20 30 EIEDRO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000769318054 1045919484 /nfs/dbraw/zinc/91/94/84/1045919484.db2.gz HIXSKXCOONLOHC-WIYYLYMNSA-N 1 0 334.463 4.493 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C2CC2)cc1 ZINC000237362162 1045921463 /nfs/dbraw/zinc/92/14/63/1045921463.db2.gz PXCGCZULPJFUJE-YCRPNKLZSA-N 1 0 336.435 4.227 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000496380710 1045924141 /nfs/dbraw/zinc/92/41/41/1045924141.db2.gz RJCFGFYVDUJXFY-BBWFWOEESA-N 1 0 349.519 4.084 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000769388672 1045947052 /nfs/dbraw/zinc/94/70/52/1045947052.db2.gz XDVNFIMQGUJKJD-UHFFFAOYSA-N 1 0 339.870 4.248 20 30 EIEDRO C#CCCOc1ccc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)cc1 ZINC000769471697 1045984661 /nfs/dbraw/zinc/98/46/61/1045984661.db2.gz BTXDFNCKYWLPKJ-IBGZPJMESA-N 1 0 335.447 4.087 20 30 EIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)Cc1ccccc1Cl)C2 ZINC001170285184 1045987300 /nfs/dbraw/zinc/98/73/00/1045987300.db2.gz RCNHXYDYWYUFTJ-IMFGXOCKSA-N 1 0 349.902 4.097 20 30 EIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001170289863 1045990702 /nfs/dbraw/zinc/99/07/02/1045990702.db2.gz AJKRXBVSXMUIQG-VQTJNVASSA-N 1 0 340.854 4.472 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC001170289861 1045991240 /nfs/dbraw/zinc/99/12/40/1045991240.db2.gz AJKRXBVSXMUIQG-PMACEKPBSA-N 1 0 340.854 4.472 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)ccn1 ZINC000614997199 1045997803 /nfs/dbraw/zinc/99/78/03/1045997803.db2.gz BOHAFKACWMVGOU-SJLPKXTDSA-N 1 0 345.368 4.398 20 30 EIEDRO C[NH+](C)CC[C@H](c1ccc(NCC(C)(C)S)cc1)c1ccccn1 ZINC001170307397 1046005777 /nfs/dbraw/zinc/00/57/77/1046005777.db2.gz YPKDJYGIPIJDPQ-GOSISDBHSA-N 1 0 343.540 4.286 20 30 EIEDRO CCCCN(CC)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170360257 1046013422 /nfs/dbraw/zinc/01/34/22/1046013422.db2.gz UWAVRMVNZFSCFF-UHFFFAOYSA-N 1 0 327.516 4.102 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2CCC3(COC3)CC2)CC1 ZINC001170362308 1046014991 /nfs/dbraw/zinc/01/49/91/1046014991.db2.gz WCJPEJXJYQMNNH-UHFFFAOYSA-N 1 0 338.495 4.187 20 30 EIEDRO CCOc1cccc(C=Nc2cccc(CC[NH+]3CCCC3)c2)c1O ZINC000769549074 1046015397 /nfs/dbraw/zinc/01/53/97/1046015397.db2.gz MQTQDZRKBBQXHC-UHFFFAOYSA-N 1 0 338.451 4.180 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2nc(CC[NH3+])c3ccccc32)CC1 ZINC001170366984 1046018490 /nfs/dbraw/zinc/01/84/90/1046018490.db2.gz CXIFWJSNSLAZTL-UHFFFAOYSA-N 1 0 344.462 4.114 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001170387435 1046026176 /nfs/dbraw/zinc/02/61/76/1046026176.db2.gz UOZWMPAXIFMOKQ-JSRJAPPDSA-N 1 0 331.463 4.275 20 30 EIEDRO COCC[C@@H]1CCCC[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170386766 1046026904 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349.519 4.086 20 30 EIEDRO Cc1cc(C)cc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)c1 ZINC000769845312 1046091377 /nfs/dbraw/zinc/09/13/77/1046091377.db2.gz HEYZHGDRMMDGAW-UHFFFAOYSA-N 1 0 328.843 4.491 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC12CC[NH+](CCCCC(C)(C)C#N)CC2 ZINC000496873273 1046094446 /nfs/dbraw/zinc/09/44/46/1046094446.db2.gz SKGXERAACPHPQI-UHFFFAOYSA-N 1 0 349.519 4.182 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2sccc2OC)c1 ZINC000769961299 1046110243 /nfs/dbraw/zinc/11/02/43/1046110243.db2.gz DTEWIVAJQQHXNS-ZFWWWQNUSA-N 1 0 330.453 4.288 20 30 EIEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763399037 1046126924 /nfs/dbraw/zinc/12/69/24/1046126924.db2.gz ZTVDQWAEVGOGMB-ACJLOTCBSA-N 1 0 348.368 4.303 20 30 EIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000770292253 1046173912 /nfs/dbraw/zinc/17/39/12/1046173912.db2.gz NZBBCYYFLRSRFZ-QZTJIDSGSA-N 1 0 343.492 4.401 20 30 EIEDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770302828 1046176237 /nfs/dbraw/zinc/17/62/37/1046176237.db2.gz CSLGGRWKZWYICW-PXNSSMCTSA-N 1 0 349.478 4.208 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000793521198 1046262386 /nfs/dbraw/zinc/26/23/86/1046262386.db2.gz VSCSNJOJFOSORJ-CYBMUJFWSA-N 1 0 340.393 4.363 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000793521199 1046263764 /nfs/dbraw/zinc/26/37/64/1046263764.db2.gz VSCSNJOJFOSORJ-ZDUSSCGKSA-N 1 0 340.393 4.363 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)cc1 ZINC000770741573 1046267662 /nfs/dbraw/zinc/26/76/62/1046267662.db2.gz MMEAJTQQFPDNRE-INIZCTEOSA-N 1 0 338.426 4.229 20 30 EIEDRO C=CC[C@@H]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000628486588 1046273194 /nfs/dbraw/zinc/27/31/94/1046273194.db2.gz LZHWGOCWDTXCAW-LJQANCHMSA-N 1 0 348.490 4.357 20 30 EIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)c1 ZINC000282061268 1046312688 /nfs/dbraw/zinc/31/26/88/1046312688.db2.gz SEQWPJYOVYKWAJ-QGZVFWFLSA-N 1 0 330.472 4.225 20 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/nfs/dbraw/zinc/57/67/39/1046576739.db2.gz HTHRRAALCOAJCV-JOCHJYFZSA-N 1 0 342.527 4.472 20 30 EIEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000772162222 1046583977 /nfs/dbraw/zinc/58/39/77/1046583977.db2.gz QDOAKDPKSCQJOM-OXQOHEQNSA-N 1 0 349.478 4.447 20 30 EIEDRO C=CCN(Cc1cccc(C#N)c1)Cc1cnc(-c2ccccc2)nc1 ZINC000536655746 1046600992 /nfs/dbraw/zinc/60/09/92/1046600992.db2.gz XWUUPJSSMWARIZ-UHFFFAOYSA-N 1 0 340.430 4.203 20 30 EIEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000127161473 1046622376 /nfs/dbraw/zinc/62/23/76/1046622376.db2.gz NJALFRJSXFJEAN-QGZVFWFLSA-N 1 0 348.450 4.025 20 30 EIEDRO C=CC[N@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C(C)C ZINC000917069509 1046645305 /nfs/dbraw/zinc/64/53/05/1046645305.db2.gz QLCNLTIDZJWJOC-NRFANRHFSA-N 1 0 339.479 4.050 20 30 EIEDRO C=CCc1cc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc(OC)c1O ZINC000536681652 1046646858 /nfs/dbraw/zinc/64/68/58/1046646858.db2.gz PJIAFMDOTIJDEV-IBGZPJMESA-N 1 0 345.483 4.053 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(C)(C)CCCO)cc1 ZINC000772483857 1046648833 /nfs/dbraw/zinc/64/88/33/1046648833.db2.gz WEWHOHBPDDVVIS-HNNXBMFYSA-N 1 0 325.880 4.267 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000785617851 1046729432 /nfs/dbraw/zinc/72/94/32/1046729432.db2.gz WVYLLXJPJCLULE-SFHVURJKSA-N 1 0 341.252 4.406 20 30 EIEDRO Cc1cc(NC(=N)c2ccc(Br)cc2F)ccc1CC#N ZINC001170462861 1046751176 /nfs/dbraw/zinc/75/11/76/1046751176.db2.gz MHQQNDPQMIQEPU-UHFFFAOYSA-N 1 0 346.203 4.400 20 30 EIEDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000459646530 1046833972 /nfs/dbraw/zinc/83/39/72/1046833972.db2.gz ITDLXOQQHYZPQW-CQSZACIVSA-N 1 0 347.384 4.473 20 30 EIEDRO CC(C)[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(F)cn1 ZINC000497524453 1046840761 /nfs/dbraw/zinc/84/07/61/1046840761.db2.gz XUEUHTLUKMGENO-IBGZPJMESA-N 1 0 343.471 4.312 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)cc1 ZINC000787029425 1046894744 /nfs/dbraw/zinc/89/47/44/1046894744.db2.gz YENSJKAAVNUKOO-ROUUACIJSA-N 1 0 332.806 4.125 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cnn(-c2ccccc2)c1 ZINC000787029449 1046894862 /nfs/dbraw/zinc/89/48/62/1046894862.db2.gz XEXIEDOHPMRGPH-QVKFZJNVSA-N 1 0 328.419 4.082 20 30 EIEDRO CCN(C(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1)C1CCCCC1 ZINC000497618239 1046895201 /nfs/dbraw/zinc/89/52/01/1046895201.db2.gz LURLMWAEFOECMV-QGZVFWFLSA-N 1 0 341.499 4.122 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000537030089 1046906819 /nfs/dbraw/zinc/90/68/19/1046906819.db2.gz YYLZBWOSCMDZRF-RHSMWYFYSA-N 1 0 347.890 4.112 20 30 EIEDRO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3csc(Cl)c3)cc2)CC1 ZINC000787185896 1046937606 /nfs/dbraw/zinc/93/76/06/1046937606.db2.gz JSONTENZRGAKHV-QPJJXVBHSA-N 1 0 346.883 4.049 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000537107810 1046958702 /nfs/dbraw/zinc/95/87/02/1046958702.db2.gz QCTZDDNYNYZRFZ-VQTJNVASSA-N 1 0 331.406 4.165 20 30 EIEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000746665508 1046976336 /nfs/dbraw/zinc/97/63/36/1046976336.db2.gz CKCNJFPZQXYMCE-JKSUJKDBSA-N 1 0 337.508 4.084 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000537141344 1046980137 /nfs/dbraw/zinc/98/01/37/1046980137.db2.gz SHFMNTLQJMIBSC-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000537178970 1047010502 /nfs/dbraw/zinc/01/05/02/1047010502.db2.gz JXZYFXUCNKDJJI-CQSZACIVSA-N 1 0 328.799 4.259 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000537203668 1047037104 /nfs/dbraw/zinc/03/71/04/1047037104.db2.gz JZGJPHGRZCABPU-GCJKJVERSA-N 1 0 349.478 4.302 20 30 EIEDRO Cc1cccc2nc(Cl)c(C#N)c(NCC(C)(C)C[NH+](C)C)c12 ZINC001157948957 1047042538 /nfs/dbraw/zinc/04/25/38/1047042538.db2.gz RIYZTELXSMIGME-UHFFFAOYSA-N 1 0 330.863 4.068 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)OCC(C)(C)CCC#N)cc1)C(C)C ZINC000805948928 1047059805 /nfs/dbraw/zinc/05/98/05/1047059805.db2.gz KWJRHBNWLWCQEG-UHFFFAOYSA-N 1 0 330.472 4.404 20 30 EIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)CCCCCC#N ZINC000805947273 1047060810 /nfs/dbraw/zinc/06/08/10/1047060810.db2.gz LFGRGCOVZSYUJT-IBGZPJMESA-N 1 0 342.483 4.304 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1CNc1nc(Cl)c(C#N)s1 ZINC000787895537 1047071273 /nfs/dbraw/zinc/07/12/73/1047071273.db2.gz ZVYLPRSDBNQFQX-UHFFFAOYSA-N 1 0 334.876 4.122 20 30 EIEDRO C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000537297023 1047077400 /nfs/dbraw/zinc/07/74/00/1047077400.db2.gz LQHDAFDHCDIXOW-GOSISDBHSA-N 1 0 339.527 4.329 20 30 EIEDRO C#C[C@H](CCC)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000806134752 1047127468 /nfs/dbraw/zinc/12/74/68/1047127468.db2.gz BPIUBJIVSUYVQE-GOSISDBHSA-N 1 0 341.499 4.375 20 30 EIEDRO C#CCC1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCCCC1 ZINC000788219054 1047135145 /nfs/dbraw/zinc/13/51/45/1047135145.db2.gz ZSDJEBTUKXJKAS-WOJBJXKFSA-N 1 0 344.543 4.073 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806146305 1047171230 /nfs/dbraw/zinc/17/12/30/1047171230.db2.gz MWVQTFOVUOWNHN-RHSMWYFYSA-N 1 0 341.842 4.193 20 30 EIEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788692770 1047266516 /nfs/dbraw/zinc/26/65/16/1047266516.db2.gz PWKLNKAWQYKUOS-ZWKOTPCHSA-N 1 0 330.472 4.374 20 30 EIEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000918064487 1047311357 /nfs/dbraw/zinc/31/13/57/1047311357.db2.gz SDZBJLGOZYNGOA-GOSISDBHSA-N 1 0 343.515 4.025 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746815818 1047426853 /nfs/dbraw/zinc/42/68/53/1047426853.db2.gz NMELCKOCKGZWGH-UMUMUWHJSA-N 1 0 346.858 4.166 20 30 EIEDRO FC(F)(F)C1(C(F)(F)F)CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000556124904 1047465262 /nfs/dbraw/zinc/46/52/62/1047465262.db2.gz DIELKQMRYLHEPK-QMMMGPOBSA-N 1 0 325.243 4.239 20 30 EIEDRO C=C(C)CN(C)C(=O)NCc1cccc(C[N@@H+](CC)CCCC)c1 ZINC000498293740 1047508774 /nfs/dbraw/zinc/50/87/74/1047508774.db2.gz WQEPXQOHEAFHCK-UHFFFAOYSA-N 1 0 331.504 4.026 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000556220880 1047594999 /nfs/dbraw/zinc/59/49/99/1047594999.db2.gz CONLQHNROBNBRA-GJYPPUQNSA-N 1 0 332.463 4.212 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000154822184 1047661019 /nfs/dbraw/zinc/66/10/19/1047661019.db2.gz QHWVABHNEARNAM-QZTJIDSGSA-N 1 0 345.446 4.296 20 30 EIEDRO C=C[C@H](CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919626 1047692650 /nfs/dbraw/zinc/69/26/50/1047692650.db2.gz SGWCZGGVRZPUKD-KNKQGSTJSA-N 1 0 348.490 4.298 20 30 EIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)Cc1ccc(F)c(F)c1 ZINC000130455095 1047712071 /nfs/dbraw/zinc/71/20/71/1047712071.db2.gz JPQRTWFAUCVPMM-UHFFFAOYSA-N 1 0 330.378 4.279 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCOc2ccccc2Cl)c1 ZINC000130642225 1047756458 /nfs/dbraw/zinc/75/64/58/1047756458.db2.gz UZLLYIRMJMNXIR-UHFFFAOYSA-N 1 0 344.842 4.191 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556532479 1047811027 /nfs/dbraw/zinc/81/10/27/1047811027.db2.gz SXDAMWGIFXRRRT-HNNXBMFYSA-N 1 0 341.405 4.110 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)nc1 ZINC000556574797 1047827868 /nfs/dbraw/zinc/82/78/68/1047827868.db2.gz SDIWPGAMRBYTEX-ROUUACIJSA-N 1 0 345.368 4.398 20 30 EIEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@H]3C[C@@H]4[C@H](C3)C4(C)C)cc(C#N)c21 ZINC001170728556 1047863691 /nfs/dbraw/zinc/86/36/91/1047863691.db2.gz VKNMPZREHREZDU-NWTFUFRBSA-N 1 0 349.478 4.128 20 30 EIEDRO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CC(C)(C)CCC#N ZINC000808429256 1047895039 /nfs/dbraw/zinc/89/50/39/1047895039.db2.gz GPSHFGNFCOQXIO-UHFFFAOYSA-N 1 0 348.853 4.393 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1C#N ZINC000824654310 1047896364 /nfs/dbraw/zinc/89/63/64/1047896364.db2.gz MSRZJUQNAPANKN-ZFWWWQNUSA-N 1 0 326.362 4.168 20 30 EIEDRO N#Cc1cccc2c1CC[C@H]2Nc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001171062511 1047898998 /nfs/dbraw/zinc/89/89/98/1047898998.db2.gz FQRHKOAETMDZDQ-JOCHJYFZSA-N 1 0 343.474 4.225 20 30 EIEDRO Cc1cc(F)ccc1[C@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000814656819 1048104657 /nfs/dbraw/zinc/10/46/57/1048104657.db2.gz ABJGXGZAMXFRCD-VQTJNVASSA-N 1 0 326.415 4.192 20 30 EIEDRO CC(=NN=C(C(=O)c1ccccc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000814693140 1048135291 /nfs/dbraw/zinc/13/52/91/1048135291.db2.gz YJUMYEKSDQDAFL-UHFFFAOYSA-N 1 0 347.462 4.076 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001143726402 1048176947 /nfs/dbraw/zinc/17/69/47/1048176947.db2.gz PFFMGXMRJOYAGI-INIZCTEOSA-N 1 0 339.870 4.090 20 30 EIEDRO N#Cc1cccc(OCCC[NH2+][C@H]2CCc3cc(Cl)ccc3C2)c1 ZINC001171104882 1048196074 /nfs/dbraw/zinc/19/60/74/1048196074.db2.gz KBANTXPEKSPCIK-IBGZPJMESA-N 1 0 340.854 4.128 20 30 EIEDRO COc1cc(NN=C(C)c2cccc(C[NH+](C)C)c2)ccc1Cl ZINC000814919791 1048261323 /nfs/dbraw/zinc/26/13/23/1048261323.db2.gz PWCZBFYRTSQYRQ-UHFFFAOYSA-N 1 0 331.847 4.246 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@@H](O)c1ccccc1 ZINC000844326510 1048294988 /nfs/dbraw/zinc/29/49/88/1048294988.db2.gz GQNIWRQEMYJKDX-MOPGFXCFSA-N 1 0 328.843 4.059 20 30 EIEDRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000815060905 1048313326 /nfs/dbraw/zinc/31/33/26/1048313326.db2.gz FSAZULNJMMFKMH-PMPSAXMXSA-N 1 0 334.895 4.330 20 30 EIEDRO CCCCN(CCC#N)Cc1ccc(OC)cc1OC(F)(F)F ZINC001144051661 1048383225 /nfs/dbraw/zinc/38/32/25/1048383225.db2.gz RIKIYUHVVGQUIH-UHFFFAOYSA-N 1 0 330.350 4.110 20 30 EIEDRO CC#CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000499208470 1048410718 /nfs/dbraw/zinc/41/07/18/1048410718.db2.gz BTNJDXJAVNUYNB-UHFFFAOYSA-N 1 0 335.476 4.163 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)cc1 ZINC000809605868 1048413288 /nfs/dbraw/zinc/41/32/88/1048413288.db2.gz QRNGJUSPWPYXKO-UHFFFAOYSA-N 1 0 332.378 4.284 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccnc(Oc3ccc(OC)cc3)c2)cc1 ZINC000809606794 1048416844 /nfs/dbraw/zinc/41/68/44/1048416844.db2.gz FDUPBDPTFQTCAM-UHFFFAOYSA-N 1 0 344.414 4.154 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(N(CC)CC)cc1 ZINC000809701446 1048465511 /nfs/dbraw/zinc/46/55/11/1048465511.db2.gz FSOVHGRIYNZSJH-UHFFFAOYSA-N 1 0 342.483 4.196 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(C)CCC(C)=C(C)C1)C(C)C ZINC001144203891 1048508932 /nfs/dbraw/zinc/50/89/32/1048508932.db2.gz GEZDHUBJUCVECE-FPOVZHCZSA-N 1 0 332.532 4.328 20 30 EIEDRO Cc1cc(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000809754168 1048520394 /nfs/dbraw/zinc/52/03/94/1048520394.db2.gz DVPRAJKLYPRERK-GOSISDBHSA-N 1 0 349.261 4.387 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809757390 1048521948 /nfs/dbraw/zinc/52/19/48/1048521948.db2.gz RORZCHLZPOICFH-OAHLLOKOSA-N 1 0 329.271 4.336 20 30 EIEDRO C#CCCC1(CC[NH2+][C@H]2CCc3cc(Cl)c(Cl)cc3C2)N=N1 ZINC001171151711 1048522297 /nfs/dbraw/zinc/52/22/97/1048522297.db2.gz YEWNTIGRBAZIIY-AWEZNQCLSA-N 1 0 336.266 4.406 20 30 EIEDRO CN(C)[C@H](C[NH2+]C#C[Si](C)(C)C)c1ccc(Cl)cc1Cl ZINC001170587489 1048538078 /nfs/dbraw/zinc/53/80/78/1048538078.db2.gz FHYLCCJTOBZMDQ-OAHLLOKOSA-N 1 0 329.347 4.024 20 30 EIEDRO C[C@@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc(OCC#N)cc1 ZINC000844922908 1048548168 /nfs/dbraw/zinc/54/81/68/1048548168.db2.gz DAEOFDDVCAVHJF-VQIMIIECSA-N 1 0 335.451 4.057 20 30 EIEDRO C[C@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc(OCC#N)cc1 ZINC000844922906 1048549075 /nfs/dbraw/zinc/54/90/75/1048549075.db2.gz DAEOFDDVCAVHJF-LPHOPBHVSA-N 1 0 335.451 4.057 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N/CC[N@@H+]1CCc2sccc2C1 ZINC000920173070 1048572901 /nfs/dbraw/zinc/57/29/01/1048572901.db2.gz OERIGKGHPRZLFN-FYJGNVAPSA-N 1 0 336.460 4.084 20 30 EIEDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]Cc1ccc(C#N)cc1 ZINC000810131374 1048640459 /nfs/dbraw/zinc/64/04/59/1048640459.db2.gz XHEKCZAGPHKBCP-UVTDQMKNSA-N 1 0 328.362 4.353 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(SC)s2)c1 ZINC000810144656 1048647751 /nfs/dbraw/zinc/64/77/51/1048647751.db2.gz DKEHFFDMVZNOEZ-AWEZNQCLSA-N 1 0 332.494 4.441 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2C(C)(C)CC)CC1 ZINC001144417563 1048650943 /nfs/dbraw/zinc/65/09/43/1048650943.db2.gz BUSJOXKLAYCBFZ-UHFFFAOYSA-N 1 0 328.500 4.145 20 30 EIEDRO FC(F)(F)c1cccnc1N=NC1CC[NH+](C2CCCCC2)CC1 ZINC000920372449 1048656259 /nfs/dbraw/zinc/65/62/59/1048656259.db2.gz LWIGOSWUOGFTAI-UHFFFAOYSA-N 1 0 340.393 4.297 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC001171178726 1048660745 /nfs/dbraw/zinc/66/07/45/1048660745.db2.gz KGQPUBJFIYWVER-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2cccc(F)c2)c1C ZINC000920386202 1048663253 /nfs/dbraw/zinc/66/32/53/1048663253.db2.gz TYWOAUOYYGAXGO-HXUWFJFHSA-N 1 0 342.462 4.174 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(N2CCCCC2)c1 ZINC001171180680 1048666756 /nfs/dbraw/zinc/66/67/56/1048666756.db2.gz CCCIUTQMEYBEBJ-SFHVURJKSA-N 1 0 333.479 4.269 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1Br ZINC001171182521 1048673747 /nfs/dbraw/zinc/67/37/47/1048673747.db2.gz WYLXMYIAPDDRKZ-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO CC(=O)Nc1cc(C)c(C)cc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171182375 1048673920 /nfs/dbraw/zinc/67/39/20/1048673920.db2.gz LCTRNUBOGNHGCV-UHFFFAOYSA-N 1 0 347.418 4.158 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccc3ccccc3c1)CC2 ZINC000810216838 1048686063 /nfs/dbraw/zinc/68/60/63/1048686063.db2.gz PTIULPQHUHIQCA-FGZHOGPDSA-N 1 0 328.415 4.022 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccc3ccccc3c1)CC2 ZINC000810216839 1048686797 /nfs/dbraw/zinc/68/67/97/1048686797.db2.gz PTIULPQHUHIQCA-VXKWHMMOSA-N 1 0 328.415 4.022 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Br)nc1 ZINC000810221538 1048689644 /nfs/dbraw/zinc/68/96/44/1048689644.db2.gz QMXRVZLUYJKQOQ-VXGBXAGGSA-N 1 0 330.229 4.128 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](CO)c1ccc(Cl)cc1Cl ZINC001171190333 1048693047 /nfs/dbraw/zinc/69/30/47/1048693047.db2.gz SDKHEODUTMQDHE-KZULUSFZSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC(=O)c1ccc(Cl)c(Cl)c1 ZINC001171190274 1048693414 /nfs/dbraw/zinc/69/34/14/1048693414.db2.gz RFECAUXHVLHLJG-GFCCVEGCSA-N 1 0 347.245 4.269 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccnc(Cl)c1)C1CC1 ZINC001171190578 1048693635 /nfs/dbraw/zinc/69/36/35/1048693635.db2.gz WCSXNORCHZVRBJ-ORAYPTAESA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001171193674 1048697562 /nfs/dbraw/zinc/69/75/62/1048697562.db2.gz YCUXUJUEHVHUCA-CVEARBPZSA-N 1 0 330.435 4.245 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)nc1)c1ccccc1 ZINC000810229570 1048698128 /nfs/dbraw/zinc/69/81/28/1048698128.db2.gz YWJBXTRKYDEQTC-XJKSGUPXSA-N 1 0 329.241 4.259 20 30 EIEDRO COc1cccc(CC2([NH2+][C@@H](C)Cc3cccc(C#N)c3)CCC2)c1 ZINC001171197739 1048719313 /nfs/dbraw/zinc/71/93/13/1048719313.db2.gz BVYJAPJPRQTVNG-KRWDZBQOSA-N 1 0 334.463 4.253 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(CC2CCC2)CCOCC1 ZINC001171198174 1048720645 /nfs/dbraw/zinc/72/06/45/1048720645.db2.gz IFNMLFUKPVNPIB-QGZVFWFLSA-N 1 0 326.484 4.066 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(Br)s1 ZINC001171201926 1048755767 /nfs/dbraw/zinc/75/57/67/1048755767.db2.gz TWFDRPZFDBLBJD-LBPRGKRZSA-N 1 0 349.297 4.146 20 30 EIEDRO C=CC[C@@H]1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000845948388 1048761594 /nfs/dbraw/zinc/76/15/94/1048761594.db2.gz DZJWJLPQVQDQDQ-MJGOQNOKSA-N 1 0 327.516 4.374 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)cc1 ZINC000845937649 1048767693 /nfs/dbraw/zinc/76/76/93/1048767693.db2.gz CWLPUDZAOKLMEC-INIZCTEOSA-N 1 0 330.790 4.159 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)cc1 ZINC000845937657 1048767933 /nfs/dbraw/zinc/76/79/33/1048767933.db2.gz CWLPUDZAOKLMEC-MRXNPFEDSA-N 1 0 330.790 4.159 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)C1 ZINC000845978912 1048772082 /nfs/dbraw/zinc/77/20/82/1048772082.db2.gz YTQWYRGRKUBJFJ-JZXOWHBKSA-N 1 0 327.472 4.002 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000846059173 1048798455 /nfs/dbraw/zinc/79/84/55/1048798455.db2.gz ZTHTWOKNUFMICL-UHFFFAOYSA-N 1 0 330.815 4.018 20 30 EIEDRO CC[NH+](CC)[C@@H](C/N=C\c1cccc(O)c1O)c1ccccc1Cl ZINC000920943916 1048818096 /nfs/dbraw/zinc/81/80/96/1048818096.db2.gz LOOZHHHVMQYKTE-WCEBZYJUSA-N 1 0 346.858 4.253 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@H](c2ccc(CC)cc2)[NH+](C)C)c1 ZINC000920944777 1048819544 /nfs/dbraw/zinc/81/95/44/1048819544.db2.gz KFDZLZLLNNUXDP-IDCRMVTHSA-N 1 0 340.467 4.075 20 30 EIEDRO C=CCSCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000236688005 1048833392 /nfs/dbraw/zinc/83/33/92/1048833392.db2.gz IGCQHVWGCJQYPB-UHFFFAOYSA-N 1 0 341.524 4.234 20 30 EIEDRO C[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc(OCC#N)cc1 ZINC000846217263 1048842847 /nfs/dbraw/zinc/84/28/47/1048842847.db2.gz YHIJOBQMYPANCL-OCCSQVGLSA-N 1 0 327.255 4.214 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)N1Cc2cccc(Br)c2C1 ZINC001171221841 1048857296 /nfs/dbraw/zinc/85/72/96/1048857296.db2.gz VYGJPABJFHAEGG-CYBMUJFWSA-N 1 0 341.252 4.268 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC001171224588 1048862984 /nfs/dbraw/zinc/86/29/84/1048862984.db2.gz TYRJESGZFGAMPX-GOSISDBHSA-N 1 0 346.474 4.053 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001171229997 1048871434 /nfs/dbraw/zinc/87/14/34/1048871434.db2.gz ADKOSGWMGQMDQG-IBGZPJMESA-N 1 0 328.459 4.253 20 30 EIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171231677 1048871458 /nfs/dbraw/zinc/87/14/58/1048871458.db2.gz KRFGOUQVAOMVIN-GCJKJVERSA-N 1 0 348.490 4.453 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001171232446 1048878179 /nfs/dbraw/zinc/87/81/79/1048878179.db2.gz SKXJIXPQAPSSEX-AUSIDOKSSA-N 1 0 347.506 4.086 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)Cc2ccsc2)cc(OC)c1OC ZINC000772946586 1048885965 /nfs/dbraw/zinc/88/59/65/1048885965.db2.gz NSQVAOOOKWGPQN-CQSZACIVSA-N 1 0 331.481 4.215 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2C)cc(OC)c1OC ZINC000772951336 1048888793 /nfs/dbraw/zinc/88/87/93/1048888793.db2.gz CRJYOWVCRWCYAL-YCRPNKLZSA-N 1 0 337.463 4.455 20 30 EIEDRO Cc1cccc(O[C@@H](C)C[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000237376456 1048931213 /nfs/dbraw/zinc/93/12/13/1048931213.db2.gz CWMUGFMTKSJSMV-SFHVURJKSA-N 1 0 338.451 4.235 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001170860486 1048932316 /nfs/dbraw/zinc/93/23/16/1048932316.db2.gz IVJNVHHEYCHQSA-VQTJNVASSA-N 1 0 338.426 4.375 20 30 EIEDRO CC(=[NH+]N[C@@H]1CCC[C@H]1O)c1ccc2c(c1)Nc1ccccc1S2 ZINC000817331803 1048947189 /nfs/dbraw/zinc/94/71/89/1048947189.db2.gz XNDJHYDAYMYHHS-RHSMWYFYSA-N 1 0 339.464 4.122 20 30 EIEDRO Cc1cccc(O[C@H](C)C[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000237551018 1048960233 /nfs/dbraw/zinc/96/02/33/1048960233.db2.gz CWMUGFMTKSJSMV-GOSISDBHSA-N 1 0 338.451 4.235 20 30 EIEDRO N#CCC1([NH2+][C@H]2CCc3ccc(Br)cc3C2)CCCC1 ZINC001170867597 1048963682 /nfs/dbraw/zinc/96/36/82/1048963682.db2.gz JDRDJVPGQAZJKT-INIZCTEOSA-N 1 0 333.273 4.122 20 30 EIEDRO Cc1ccc2c(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)cc(=O)oc2c1 ZINC000847054272 1048994659 /nfs/dbraw/zinc/99/46/59/1048994659.db2.gz QBQYKZYYWZXDND-UHFFFAOYSA-N 1 0 344.414 4.142 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817585432 1049013849 /nfs/dbraw/zinc/01/38/49/1049013849.db2.gz MDYKGHCXHVDVSK-GAFUQQFSSA-N 1 0 340.290 4.029 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001136034091 1049049863 /nfs/dbraw/zinc/04/98/63/1049049863.db2.gz OVHHFFLSWKFBNX-KRWDZBQOSA-N 1 0 336.907 4.441 20 30 EIEDRO C=C[C@H](CC)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001136038012 1049051149 /nfs/dbraw/zinc/05/11/49/1049051149.db2.gz XSSPQKNSUMVKSX-QAPCUYQASA-N 1 0 336.907 4.441 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/CCCOC2CCCCC2)c(O)c1 ZINC000747713207 1049058953 /nfs/dbraw/zinc/05/89/53/1049058953.db2.gz QIVFGOJAECBZGY-LTGZKZEYSA-N 1 0 332.488 4.397 20 30 EIEDRO C=CCC1(C(=O)NC[C@@H](Cc2ccccc2)[NH+](CC)CC)CCCC1 ZINC001136080759 1049081113 /nfs/dbraw/zinc/08/11/13/1049081113.db2.gz JLURWKNAEVWPRM-HXUWFJFHSA-N 1 0 342.527 4.192 20 30 EIEDRO N#Cc1ccc(OCC[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000609541441 1049144715 /nfs/dbraw/zinc/14/47/15/1049144715.db2.gz PFIPOFJRCLUPMZ-KRWDZBQOSA-N 1 0 326.827 4.080 20 30 EIEDRO CC(=[NH+]NC[C@H]1CCSC1)c1ccc(N2CCCCCC2)cc1 ZINC000811659936 1049199048 /nfs/dbraw/zinc/19/90/48/1049199048.db2.gz BXKKHSAQQJTOHB-QGZVFWFLSA-N 1 0 331.529 4.134 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000772983177 1049201806 /nfs/dbraw/zinc/20/18/06/1049201806.db2.gz JURGMVPINLAHSZ-FXAWDEMLSA-N 1 0 336.435 4.371 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000772983180 1049202002 /nfs/dbraw/zinc/20/20/02/1049202002.db2.gz JURGMVPINLAHSZ-YLJYHZDGSA-N 1 0 336.435 4.371 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)Cc2cccc(F)c2)c1 ZINC000772985746 1049218892 /nfs/dbraw/zinc/21/88/92/1049218892.db2.gz XZGPBKNWTVXEJF-KXBFYZLASA-N 1 0 326.415 4.227 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1ccccc1 ZINC000819329234 1049299498 /nfs/dbraw/zinc/29/94/98/1049299498.db2.gz HVPJHDXORSJCAO-RBUKOAKNSA-N 1 0 330.378 4.023 20 30 EIEDRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000819370858 1049309976 /nfs/dbraw/zinc/30/99/76/1049309976.db2.gz WQQIFQDSPAUPKG-HAFPXEGZSA-N 1 0 334.463 4.154 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000819362943 1049310353 /nfs/dbraw/zinc/31/03/53/1049310353.db2.gz ZNEGYKJEDNFNOT-DFQSSKMNSA-N 1 0 340.854 4.171 20 30 EIEDRO Cc1cc([NH+]2CCCCCC2)ccc1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819481117 1049328650 /nfs/dbraw/zinc/32/86/50/1049328650.db2.gz HYYPIHQNRVHTQR-JOCHJYFZSA-N 1 0 349.478 4.393 20 30 EIEDRO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000609826104 1049345858 /nfs/dbraw/zinc/34/58/58/1049345858.db2.gz RVNKSWBGZLRPDT-QGZVFWFLSA-N 1 0 334.341 4.054 20 30 EIEDRO C[C@@H]([NH3+])CCNc1nc(-c2ccccc2)c(-c2ccccc2)cc1C#N ZINC001159780162 1049363613 /nfs/dbraw/zinc/36/36/13/1049363613.db2.gz SDXQDZVXSPNLQN-MRXNPFEDSA-N 1 0 342.446 4.436 20 30 EIEDRO CCc1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)s1 ZINC000064614020 1049371445 /nfs/dbraw/zinc/37/14/45/1049371445.db2.gz UAFFGAXWDVKGSV-UHFFFAOYSA-N 1 0 344.480 4.291 20 30 EIEDRO C[C@H](NN=C1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccncc1 ZINC000819818472 1049374978 /nfs/dbraw/zinc/37/49/78/1049374978.db2.gz MQOFMYBKSABSNY-HRAATJIYSA-N 1 0 334.467 4.088 20 30 EIEDRO C[C@@H](CNc1cc(Cl)ccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000609891680 1049382670 /nfs/dbraw/zinc/38/26/70/1049382670.db2.gz YXRAOOKAPDRMLL-AWEZNQCLSA-N 1 0 325.843 4.070 20 30 EIEDRO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359139 1049507670 /nfs/dbraw/zinc/50/76/70/1049507670.db2.gz AZKFKHQQDLIFCS-SFHVURJKSA-N 1 0 326.390 4.238 20 30 EIEDRO [NH2+]=C(N[C@H]1CCc2cccc(F)c2C1)c1ccc(C(F)(F)F)cc1 ZINC001170947809 1049512568 /nfs/dbraw/zinc/51/25/68/1049512568.db2.gz BLTKZJYWWWPDTB-AWEZNQCLSA-N 1 0 336.332 4.107 20 30 EIEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1nc(C(C)(C)C)ccc1C#N ZINC001170681683 1049518249 /nfs/dbraw/zinc/51/82/49/1049518249.db2.gz VBTYOYMPAQSYKC-AWEZNQCLSA-N 1 0 345.450 4.123 20 30 EIEDRO Cc1cc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)ccc1Cl ZINC000812738418 1049558150 /nfs/dbraw/zinc/55/81/50/1049558150.db2.gz RQEPTIOCLUCARX-HNNXBMFYSA-N 1 0 328.843 4.444 20 30 EIEDRO CC(C)c1nccnc1N=NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000773077966 1049566447 /nfs/dbraw/zinc/56/64/47/1049566447.db2.gz KHSFQLIMVZJVJN-WBVHZDCISA-N 1 0 329.492 4.042 20 30 EIEDRO C=CCOCc1cccc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c1 ZINC001170686467 1049577609 /nfs/dbraw/zinc/57/76/09/1049577609.db2.gz SFBHRGUNDAQQJY-INIZCTEOSA-N 1 0 333.435 4.262 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000773107484 1049585648 /nfs/dbraw/zinc/58/56/48/1049585648.db2.gz PQYAVZKDXAUVSX-AVRDEDQJSA-N 1 0 329.447 4.347 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000773106178 1049586037 /nfs/dbraw/zinc/58/60/37/1049586037.db2.gz KNMOAADIHBAMIW-RYRKJORJSA-N 1 0 330.472 4.032 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000773115693 1049586060 /nfs/dbraw/zinc/58/60/60/1049586060.db2.gz OENTVBMBRDTOCX-PTUXOGIPSA-N 1 0 332.491 4.394 20 30 EIEDRO C=C[C@@H](CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001136405707 1049587360 /nfs/dbraw/zinc/58/73/60/1049587360.db2.gz WPWMYQGBQYRLGL-OTWHNJEPSA-N 1 0 342.527 4.219 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C)c1ccc(F)cc1 ZINC000812793434 1049589164 /nfs/dbraw/zinc/58/91/64/1049589164.db2.gz TZTDFTPVGMMTAE-LPHOPBHVSA-N 1 0 338.426 4.124 20 30 EIEDRO CCOc1cc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)ccc1OC ZINC000821023022 1049589563 /nfs/dbraw/zinc/58/95/63/1049589563.db2.gz XALHEKLZHOQPRO-LUAWRHEFSA-N 1 0 339.435 4.052 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCO[C@H](C)c2ccccc2)cc1 ZINC000237568309 1049625004 /nfs/dbraw/zinc/62/50/04/1049625004.db2.gz ABUSNIFONZEMPO-QZTJIDSGSA-N 1 0 338.451 4.235 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCc2cccc3ccccc32)cc1 ZINC000237594123 1049638082 /nfs/dbraw/zinc/63/80/82/1049638082.db2.gz VECNWJVOWXTQBV-QGZVFWFLSA-N 1 0 330.431 4.463 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCn2ccc3ccccc32)cc1 ZINC000237593525 1049638485 /nfs/dbraw/zinc/63/84/85/1049638485.db2.gz CYZUIAZPNZVMRZ-QGZVFWFLSA-N 1 0 333.435 4.112 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCOc2cccc3ccccc32)cc1 ZINC000237593728 1049639087 /nfs/dbraw/zinc/63/90/87/1049639087.db2.gz OVLPEYBUZUVFGP-QGZVFWFLSA-N 1 0 346.430 4.299 20 30 EIEDRO C=CCCC[C@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001136451500 1049647747 /nfs/dbraw/zinc/64/77/47/1049647747.db2.gz YNTSNPKKOPTXKI-CTNGQTDRSA-N 1 0 342.527 4.363 20 30 EIEDRO C=CCSCC[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000237601717 1049650163 /nfs/dbraw/zinc/65/01/63/1049650163.db2.gz DDRFHUQSRSKJKC-UHFFFAOYSA-N 1 0 342.508 4.286 20 30 EIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000037000072 1049654577 /nfs/dbraw/zinc/65/45/77/1049654577.db2.gz AYELFSHRFSMATK-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO C#CCCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000773207271 1049661849 /nfs/dbraw/zinc/66/18/49/1049661849.db2.gz DNCOVPRVUKDUNO-SFHVURJKSA-N 1 0 334.891 4.033 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001136480060 1049673839 /nfs/dbraw/zinc/67/38/39/1049673839.db2.gz AHSDIZOQHWCSMA-OAQYLSRUSA-N 1 0 328.500 4.281 20 30 EIEDRO N#CCOc1cccc(N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000716715921 1049703700 /nfs/dbraw/zinc/70/37/00/1049703700.db2.gz YORCSKXGOJYHCO-TYPHKJRUSA-N 1 0 347.462 4.054 20 30 EIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC001171489518 1049718297 /nfs/dbraw/zinc/71/82/97/1049718297.db2.gz HILLDDIDSNQLDA-QGZVFWFLSA-N 1 0 337.463 4.460 20 30 EIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC001171489986 1049719140 /nfs/dbraw/zinc/71/91/40/1049719140.db2.gz LPYZTBJZMDRRNR-CQSZACIVSA-N 1 0 343.268 4.233 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747844337 1049723851 /nfs/dbraw/zinc/72/38/51/1049723851.db2.gz SDKALZVTQVYEGF-HNNXBMFYSA-N 1 0 345.487 4.102 20 30 EIEDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1 ZINC000179727560 1049732080 /nfs/dbraw/zinc/73/20/80/1049732080.db2.gz IXYXARYCQVHKHQ-LHSJRXKWSA-N 1 0 334.419 4.131 20 30 EIEDRO C=CCCCCC[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001171544991 1049736602 /nfs/dbraw/zinc/73/66/02/1049736602.db2.gz NEQCGGOERAERPX-IBGZPJMESA-N 1 0 346.490 4.290 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(C#N)CCC2)C[C@@H]1C(C)(C)C ZINC001171584588 1049750541 /nfs/dbraw/zinc/75/05/41/1049750541.db2.gz IRJZXBLJYQLVHT-JKSUJKDBSA-N 1 0 349.519 4.084 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171592094 1049752022 /nfs/dbraw/zinc/75/20/22/1049752022.db2.gz YYGUUWKKIOCHEZ-RZQQEMMASA-N 1 0 336.520 4.192 20 30 EIEDRO Cc1cccc2c1CC[C@H](NC(=[NH2+])c1ccc3cc(O)ccc3c1)C2 ZINC001171559897 1049755015 /nfs/dbraw/zinc/75/50/15/1049755015.db2.gz OYMWMLITRFHZNV-IBGZPJMESA-N 1 0 330.431 4.117 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)C1 ZINC001171615492 1049766112 /nfs/dbraw/zinc/76/61/12/1049766112.db2.gz WTCDKXMODDDRCO-KURKYZTESA-N 1 0 348.531 4.146 20 30 EIEDRO CC(C)[C@@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC001171623515 1049767925 /nfs/dbraw/zinc/76/79/25/1049767925.db2.gz AYEBWASKILITGB-LJQANCHMSA-N 1 0 327.516 4.496 20 30 EIEDRO N#CC1(C[NH2+]C2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC001171645537 1049769016 /nfs/dbraw/zinc/76/90/16/1049769016.db2.gz QAMVKCIOKKBRML-UHFFFAOYSA-N 1 0 333.273 4.369 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000237837522 1049780703 /nfs/dbraw/zinc/78/07/03/1049780703.db2.gz VUKBWHDWRMZTNK-UHFFFAOYSA-N 1 0 332.447 4.415 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000179879236 1049787055 /nfs/dbraw/zinc/78/70/55/1049787055.db2.gz CYMJXRVBWJFJMK-UHFFFAOYSA-N 1 0 347.458 4.184 20 30 EIEDRO C=C(C)C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000130813176 1049792071 /nfs/dbraw/zinc/79/20/71/1049792071.db2.gz HPZIGYVODPPKIK-KRWDZBQOSA-N 1 0 331.257 4.294 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2ccccc2Cl)c1 ZINC000237875804 1049797311 /nfs/dbraw/zinc/79/73/11/1049797311.db2.gz VUWSLZYSMQFLNA-UHFFFAOYSA-N 1 0 328.843 4.355 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1F ZINC001171827390 1049802978 /nfs/dbraw/zinc/80/29/78/1049802978.db2.gz OAPPSWKBQQSCOF-LIRRHRJNSA-N 1 0 339.414 4.011 20 30 EIEDRO Fc1cccc2c1C[C@@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C2 ZINC001171790377 1049805063 /nfs/dbraw/zinc/80/50/63/1049805063.db2.gz JYDMQRSZVPBZBV-VIFPVBQESA-N 1 0 329.259 4.013 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC001171847277 1049812661 /nfs/dbraw/zinc/81/26/61/1049812661.db2.gz KWTPAPQTMFHBJQ-CHWSQXEVSA-N 1 0 347.459 4.051 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC23CCC(C(C)(C)CC)CC3)CC1 ZINC001136669732 1049821907 /nfs/dbraw/zinc/82/19/07/1049821907.db2.gz MVZBOSASIPDTDU-IMYXXEESSA-N 1 0 346.559 4.386 20 30 EIEDRO C=C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001136677411 1049822892 /nfs/dbraw/zinc/82/28/92/1049822892.db2.gz QKAUWJOMKHOEBH-NRFANRHFSA-N 1 0 348.490 4.079 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000813884839 1049831340 /nfs/dbraw/zinc/83/13/40/1049831340.db2.gz LSTRWOKNYOONBX-MDOVXXIYSA-N 1 0 341.476 4.113 20 30 EIEDRO CCC[C@@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071522 1049844176 /nfs/dbraw/zinc/84/41/76/1049844176.db2.gz XGPCYWWDTDBPJF-WOZUAGRISA-N 1 0 325.500 4.244 20 30 EIEDRO C(#Cc1ccccc1)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077177 1049846753 /nfs/dbraw/zinc/84/67/53/1049846753.db2.gz PERDOVVELQULJH-JOZNFPNDSA-N 1 0 344.502 4.213 20 30 EIEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(CC#N)CCCC1)C2 ZINC001172091337 1049848835 /nfs/dbraw/zinc/84/88/35/1049848835.db2.gz TVOBLFOMQHIPKZ-BJWYYQGGSA-N 1 0 347.503 4.123 20 30 EIEDRO CC(C)C[C@H](C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066789 1049851235 /nfs/dbraw/zinc/85/12/35/1049851235.db2.gz BHJQUCWYVZLLJF-NCYKPQTJSA-N 1 0 325.500 4.100 20 30 EIEDRO CC1(C#N)CCC(Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000823529099 1049854906 /nfs/dbraw/zinc/85/49/06/1049854906.db2.gz DJSCQESXUHSQHR-UHFFFAOYSA-N 1 0 341.499 4.436 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172210591 1049865938 /nfs/dbraw/zinc/86/59/38/1049865938.db2.gz YISZQHHGDQTVNF-HXUWFJFHSA-N 1 0 334.488 4.455 20 30 EIEDRO [NH2+]=C(NCC1(c2ccc(Cl)cc2Cl)CCC1)Nc1ccccn1 ZINC000180278449 1049871812 /nfs/dbraw/zinc/87/18/12/1049871812.db2.gz RWYNRJSNWMYILZ-UHFFFAOYSA-N 1 0 349.265 4.237 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC001172301422 1049872962 /nfs/dbraw/zinc/87/29/62/1049872962.db2.gz OHEYGSDXQFMCPX-AWEZNQCLSA-N 1 0 348.368 4.220 20 30 EIEDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1C(F)(F)F ZINC001172302097 1049873373 /nfs/dbraw/zinc/87/33/73/1049873373.db2.gz DFDOAEMAIKSVPF-ZDUSSCGKSA-N 1 0 348.368 4.306 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1cc(CC[NH3+])c2c1cccc2Cl ZINC001172305852 1049873663 /nfs/dbraw/zinc/87/36/63/1049873663.db2.gz VIHFGEZPOKCQAK-CQSZACIVSA-N 1 0 337.854 4.471 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC001172305132 1049873751 /nfs/dbraw/zinc/87/37/51/1049873751.db2.gz QRNMRGICVZYLIO-ZUOKHONESA-N 1 0 326.390 4.435 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ncccc1Cl)C1CC1 ZINC001172304020 1049873953 /nfs/dbraw/zinc/87/39/53/1049873953.db2.gz GZQVTVMFCPYWPP-FZKQIMNGSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccsc1Br ZINC001172309012 1049874450 /nfs/dbraw/zinc/87/44/50/1049874450.db2.gz PCWTZTSFZSYYJA-GFCCVEGCSA-N 1 0 349.297 4.146 20 30 EIEDRO COc1cccc([C@H]2CCC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172313566 1049875551 /nfs/dbraw/zinc/87/55/51/1049875551.db2.gz ZRWPWLPFLLBUJY-UTKZUKDTSA-N 1 0 334.463 4.377 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001172318745 1049876519 /nfs/dbraw/zinc/87/65/19/1049876519.db2.gz IAFGRDWPNDPAJO-AVRDEDQJSA-N 1 0 334.463 4.170 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001172320604 1049877742 /nfs/dbraw/zinc/87/77/42/1049877742.db2.gz WRVPEYMVIBQPGT-MGPUTAFESA-N 1 0 340.467 4.418 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001172320603 1049877752 /nfs/dbraw/zinc/87/77/52/1049877752.db2.gz WRVPEYMVIBQPGT-FOIQADDNSA-N 1 0 340.467 4.418 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCc1cncc(C(F)(F)F)c1 ZINC001172290655 1049880599 /nfs/dbraw/zinc/88/05/99/1049880599.db2.gz DTBVRYISOXAPOP-CQSZACIVSA-N 1 0 347.384 4.125 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001172289880 1049880646 /nfs/dbraw/zinc/88/06/46/1049880646.db2.gz JMCMSCNBFFBQOI-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001172294201 1049881979 /nfs/dbraw/zinc/88/19/79/1049881979.db2.gz GOFRHEKETQXTQY-DNVFCKCGSA-N 1 0 347.506 4.132 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)ccc1Br ZINC001172298001 1049883060 /nfs/dbraw/zinc/88/30/60/1049883060.db2.gz SRJHZJDLBGGEHW-AWEZNQCLSA-N 1 0 343.268 4.350 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000823949841 1049886171 /nfs/dbraw/zinc/88/61/71/1049886171.db2.gz WNQSOGGRAOHTJE-LWQVOYCESA-N 1 0 341.282 4.477 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC001172349828 1049891274 /nfs/dbraw/zinc/89/12/74/1049891274.db2.gz GTFJLHBPWYUYOA-ROUUACIJSA-N 1 0 327.509 4.073 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001172350152 1049891428 /nfs/dbraw/zinc/89/14/28/1049891428.db2.gz KDSMLIAGVMJZMR-ZWKOTPCHSA-N 1 0 331.504 4.025 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]CC1CCN(c2ncccn2)CC1 ZINC001172349448 1049891454 /nfs/dbraw/zinc/89/14/54/1049891454.db2.gz CALWRFDHIIDCNZ-LJQANCHMSA-N 1 0 332.536 4.422 20 30 EIEDRO CCCCCCC[C@H](CC)[N@@H+]1CCCn2nnc(COCC)c2C1 ZINC001172354099 1049893502 /nfs/dbraw/zinc/89/35/02/1049893502.db2.gz FGYJHBQCZCYNJU-KRWDZBQOSA-N 1 0 336.524 4.159 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccnc(OC2CCOCC2)n1 ZINC001172356271 1049894380 /nfs/dbraw/zinc/89/43/80/1049894380.db2.gz HZMNQLYLEXMDMU-KRWDZBQOSA-N 1 0 349.519 4.263 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001172357118 1049894769 /nfs/dbraw/zinc/89/47/69/1049894769.db2.gz BNQNKUGLKAVAFJ-LJQANCHMSA-N 1 0 337.552 4.395 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000180445295 1049901696 /nfs/dbraw/zinc/90/16/96/1049901696.db2.gz BNOCBMYQKGLIJG-HXUWFJFHSA-N 1 0 339.410 4.231 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000824176102 1049903817 /nfs/dbraw/zinc/90/38/17/1049903817.db2.gz ITWGMVURRDONNB-ATKRNPRHSA-N 1 0 334.463 4.449 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H](C)c1ccc(I)cc1 ZINC001172480597 1049910331 /nfs/dbraw/zinc/91/03/31/1049910331.db2.gz VUIAMBCRWYWUCV-VXGBXAGGSA-N 1 0 342.224 4.024 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172483797 1049911595 /nfs/dbraw/zinc/91/15/95/1049911595.db2.gz UJSKNEWIUWIOEC-ZRZPHAQCSA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172483780 1049911629 /nfs/dbraw/zinc/91/16/29/1049911629.db2.gz UEYWOMZHVDPSNR-FUHIMQAGSA-N 1 0 349.519 4.228 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000616750713 1049916696 /nfs/dbraw/zinc/91/66/96/1049916696.db2.gz KAHKIJHFUCDCKB-CTNGQTDRSA-N 1 0 338.426 4.297 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CC1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001172491856 1049921025 /nfs/dbraw/zinc/92/10/25/1049921025.db2.gz KCZPJJUKLDCEAO-INIZCTEOSA-N 1 0 335.442 4.492 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001172496312 1049921437 /nfs/dbraw/zinc/92/14/37/1049921437.db2.gz LYFDZOMGWDACOJ-PXNSSMCTSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172495504 1049921786 /nfs/dbraw/zinc/92/17/86/1049921786.db2.gz FILPZMAGUIVZSM-XLIONFOSSA-N 1 0 349.519 4.182 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2)CC1 ZINC001172494003 1049921925 /nfs/dbraw/zinc/92/19/25/1049921925.db2.gz XDWABJUJVJFYBO-ZTFGCOKTSA-N 1 0 347.890 4.053 20 30 EIEDRO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@@H](C)CCCC#N ZINC001172498312 1049922084 /nfs/dbraw/zinc/92/20/84/1049922084.db2.gz LKZGEJPLBYHBFV-HNNXBMFYSA-N 1 0 325.456 4.372 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+][C@H]1CCc2c(ccc(=O)n2C)C1 ZINC001172506239 1049924391 /nfs/dbraw/zinc/92/43/91/1049924391.db2.gz QHKNZWBJLRNMNK-OALUTQOASA-N 1 0 332.532 4.361 20 30 EIEDRO CCCCCCC[C@H](CCC)[N@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172509084 1049925089 /nfs/dbraw/zinc/92/50/89/1049925089.db2.gz SEZMIFDKNXBIND-OALUTQOASA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC001172508747 1049925313 /nfs/dbraw/zinc/92/53/13/1049925313.db2.gz NNPLTARKDHOOOH-QGZVFWFLSA-N 1 0 325.541 4.251 20 30 EIEDRO CCCCCCC[C@H](CCC)NC1(C(=O)OCC)CC[NH+](C)CC1 ZINC001172509341 1049925417 /nfs/dbraw/zinc/92/54/17/1049925417.db2.gz WIASPAFUKKKMQO-SFHVURJKSA-N 1 0 340.552 4.133 20 30 EIEDRO CCCCCCC[C@@H](CCC)[N@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172510479 1049926825 /nfs/dbraw/zinc/92/68/25/1049926825.db2.gz CWGBHOMJYNSMBJ-ZWKOTPCHSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCCCCCCC[C@@H](C)[NH2+]C1(C(N)=O)CCOCC1 ZINC001172564522 1049934342 /nfs/dbraw/zinc/93/43/42/1049934342.db2.gz IBFYAIGQVVZGKD-GOSISDBHSA-N 1 0 340.552 4.310 20 30 EIEDRO CCCCCCCCCCCC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)[O-] ZINC001172565862 1049935458 /nfs/dbraw/zinc/93/54/58/1049935458.db2.gz PNPKJYYNKXLBCH-ROUUACIJSA-N 1 0 328.541 4.468 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000617038596 1049944443 /nfs/dbraw/zinc/94/44/43/1049944443.db2.gz ZEBGFGLIFFUPMJ-TZIWHRDSSA-N 1 0 340.511 4.150 20 30 EIEDRO C=CCOCc1nn([C@@H]2CCC[C@@H](c3ccccc3)C2)c2c1C[NH2+]C2 ZINC001172540554 1049944867 /nfs/dbraw/zinc/94/48/67/1049944867.db2.gz IUOWRKOYTITROZ-QZTJIDSGSA-N 1 0 337.467 4.088 20 30 EIEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172729081 1049967902 /nfs/dbraw/zinc/96/79/02/1049967902.db2.gz PAERWZDUDXNIMQ-TZIWHRDSSA-N 1 0 333.516 4.316 20 30 EIEDRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000248326049 1050049182 /nfs/dbraw/zinc/04/91/82/1050049182.db2.gz BQOBZOZFKZJPKZ-JKSUJKDBSA-N 1 0 347.528 4.245 20 30 EIEDRO C=CC[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000249586376 1050102186 /nfs/dbraw/zinc/10/21/86/1050102186.db2.gz TWUHJJQEVWIHED-UYAOXDASSA-N 1 0 328.500 4.117 20 30 EIEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N2CCCC2)cc1 ZINC000181407926 1050116754 /nfs/dbraw/zinc/11/67/54/1050116754.db2.gz LYZPUJZXYIIEMZ-HTAPYJJXSA-N 1 0 349.478 4.055 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000181429517 1050122252 /nfs/dbraw/zinc/12/22/52/1050122252.db2.gz ZPIDFQYIKJLAAW-QHCPKHFHSA-N 1 0 345.490 4.264 20 30 EIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000774925496 1050154907 /nfs/dbraw/zinc/15/49/07/1050154907.db2.gz KNPPUYDQLKILAS-AWEZNQCLSA-N 1 0 346.377 4.279 20 30 EIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1ccc(F)c2cccnc12)C(C)C ZINC001177222694 1050168789 /nfs/dbraw/zinc/16/87/89/1050168789.db2.gz MIKYRTNCWGXLAU-HXUWFJFHSA-N 1 0 341.474 4.162 20 30 EIEDRO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001172848103 1050186529 /nfs/dbraw/zinc/18/65/29/1050186529.db2.gz RQQPSDCFNPAFAL-ZDUSSCGKSA-N 1 0 328.818 4.340 20 30 EIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCCOc1ccccc1C#N ZINC001172850759 1050188582 /nfs/dbraw/zinc/18/85/82/1050188582.db2.gz AZOIJPUDDOCPCK-AWEZNQCLSA-N 1 0 346.833 4.340 20 30 EIEDRO C[C@@H](Cc1c(F)cccc1Cl)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001172852105 1050189922 /nfs/dbraw/zinc/18/99/22/1050189922.db2.gz OOQDCDOLYBGPRX-LBPRGKRZSA-N 1 0 341.817 4.364 20 30 EIEDRO N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001185913986 1050193366 /nfs/dbraw/zinc/19/33/66/1050193366.db2.gz GLDUZGKCUFBQOI-SFGWALBWSA-N 1 0 349.453 4.410 20 30 EIEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665230 1050198253 /nfs/dbraw/zinc/19/82/53/1050198253.db2.gz QQFVXLYPVHMCKR-PXNSSMCTSA-N 1 0 335.451 4.347 20 30 EIEDRO N#Cc1ccc(CC2CC[NH+](Cc3cccc(F)c3F)CC2)cc1 ZINC001204198314 1050234961 /nfs/dbraw/zinc/23/49/61/1050234961.db2.gz PEVDDYZWBBVSMF-UHFFFAOYSA-N 1 0 326.390 4.291 20 30 EIEDRO CCCCC1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172988013 1050254479 /nfs/dbraw/zinc/25/44/79/1050254479.db2.gz IJWBXPHNXOQDFS-ROUUACIJSA-N 1 0 349.519 4.180 20 30 EIEDRO CCCCCCCC[NH2+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172997308 1050260880 /nfs/dbraw/zinc/26/08/80/1050260880.db2.gz ZEOHGWYQZNHUAM-UHFFFAOYSA-N 1 0 334.479 4.380 20 30 EIEDRO C=CC[N@H+](C1CCCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173005345 1050263913 /nfs/dbraw/zinc/26/39/13/1050263913.db2.gz NNLJMSMKIUHCCT-UHFFFAOYSA-N 1 0 344.474 4.251 20 30 EIEDRO C=CC[N@H+](C1CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172994413 1050266741 /nfs/dbraw/zinc/26/67/41/1050266741.db2.gz UYYHTMSPXBFXLZ-ROUUACIJSA-N 1 0 347.503 4.099 20 30 EIEDRO CCCOC1CCC(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)CC1 ZINC001173090706 1050283160 /nfs/dbraw/zinc/28/31/60/1050283160.db2.gz GKXCDLSIQZNKED-UHFFFAOYSA-N 1 0 328.378 4.149 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC001173085797 1050298876 /nfs/dbraw/zinc/29/88/76/1050298876.db2.gz GHMGBPIHZAUIPJ-CYBMUJFWSA-N 1 0 326.362 4.142 20 30 EIEDRO Cc1cc(C[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)ccc1C#N ZINC000618192023 1050304187 /nfs/dbraw/zinc/30/41/87/1050304187.db2.gz XNRDROYPBKDSBU-QGZVFWFLSA-N 1 0 339.870 4.136 20 30 EIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177833587 1050310757 /nfs/dbraw/zinc/31/07/57/1050310757.db2.gz AVCBTHYGMGVCNW-SFHVURJKSA-N 1 0 341.543 4.478 20 30 EIEDRO Cc1cc(F)c(C#N)c(N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC001186380795 1050315464 /nfs/dbraw/zinc/31/54/64/1050315464.db2.gz NAWJUDBHKZIAHY-YWZLYKJASA-N 1 0 325.431 4.418 20 30 EIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000069709038 1050315830 /nfs/dbraw/zinc/31/58/30/1050315830.db2.gz XELISVGLZKTVJS-UHFFFAOYSA-N 1 0 330.435 4.157 20 30 EIEDRO C=CC[C@@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1C)c1ccncc1 ZINC001177885383 1050319074 /nfs/dbraw/zinc/31/90/74/1050319074.db2.gz PVNSCFNJHRMHLY-OAQYLSRUSA-N 1 0 332.451 4.291 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)cs1 ZINC001177924998 1050328465 /nfs/dbraw/zinc/32/84/65/1050328465.db2.gz UTJJLEXCMCSUAX-CQSZACIVSA-N 1 0 331.872 4.032 20 30 EIEDRO Cc1cc(C#N)cc(Cl)c1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212713804 1050352066 /nfs/dbraw/zinc/35/20/66/1050352066.db2.gz KUHOANXBGQNHKE-UHFFFAOYSA-N 1 0 340.858 4.016 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219608 1050352406 /nfs/dbraw/zinc/35/24/06/1050352406.db2.gz OFBRUGAXVWUANB-CVEARBPZSA-N 1 0 340.423 4.441 20 30 EIEDRO N#Cc1ccc(F)cc1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001186639440 1050380731 /nfs/dbraw/zinc/38/07/31/1050380731.db2.gz FISPYNMBBUGMSJ-SFHVURJKSA-N 1 0 337.442 4.412 20 30 EIEDRO CCCCCCCC[C@H](CCC)[NH2+]Cc1nc(C(=O)OCC)no1 ZINC001173308974 1050403536 /nfs/dbraw/zinc/40/35/36/1050403536.db2.gz DNKIUMOXFMEVLM-HNNXBMFYSA-N 1 0 339.480 4.255 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC001173308989 1050403744 /nfs/dbraw/zinc/40/37/44/1050403744.db2.gz QVDKLUDRJSVUQQ-UHFFFAOYSA-N 1 0 329.362 4.189 20 30 EIEDRO CCCCCCCC[C@H](CCC)[NH2+]Cc1nnc(C(=O)OCC)o1 ZINC001173309244 1050404178 /nfs/dbraw/zinc/40/41/78/1050404178.db2.gz GMRHKJPJZHCQQJ-HNNXBMFYSA-N 1 0 339.480 4.255 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CC[C@@H](Sc3ccccc3OC)C2)CC1 ZINC001173322756 1050414658 /nfs/dbraw/zinc/41/46/58/1050414658.db2.gz LEKFDWMWUCAHPC-DAWZGUTISA-N 1 0 347.524 4.375 20 30 EIEDRO C=CCOC1CCC([N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC1 ZINC001173321706 1050415443 /nfs/dbraw/zinc/41/54/43/1050415443.db2.gz SCIVKFYSJWDYQX-FEKWIAJESA-N 1 0 333.516 4.027 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(C#N)cc1 ZINC000618568129 1050416735 /nfs/dbraw/zinc/41/67/35/1050416735.db2.gz SFSPEFAKJJNYQN-MJGOQNOKSA-N 1 0 341.405 4.156 20 30 EIEDRO CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173325200 1050417699 /nfs/dbraw/zinc/41/76/99/1050417699.db2.gz DFMQEHVCZFCWOK-QXINMDOSSA-N 1 0 349.519 4.132 20 30 EIEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173324509 1050418013 /nfs/dbraw/zinc/41/80/13/1050418013.db2.gz OQJIOQCEMKEZQK-AQEOSJORSA-N 1 0 349.519 4.084 20 30 EIEDRO COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2C1CCC(CC#N)CC1 ZINC001173328189 1050420605 /nfs/dbraw/zinc/42/06/05/1050420605.db2.gz RATCIEPQWXMTND-HPUBIQBYSA-N 1 0 325.456 4.185 20 30 EIEDRO CC(C)[NH2+][C@H]1CCCN(c2c(C#N)cnc3ccc(C(C)C)cc32)C1 ZINC000618583287 1050421008 /nfs/dbraw/zinc/42/10/08/1050421008.db2.gz JREUDFISKKPPLA-SFHVURJKSA-N 1 0 336.483 4.197 20 30 EIEDRO Cc1ccc(F)cc1CN1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173333339 1050421880 /nfs/dbraw/zinc/42/18/80/1050421880.db2.gz HBSHCVDVELFWTI-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO N#CCC1CCC([NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001173331648 1050422160 /nfs/dbraw/zinc/42/21/60/1050422160.db2.gz RLHWOISHOXJIHX-UHFFFAOYSA-N 1 0 328.431 4.193 20 30 EIEDRO N#CCC1CCC([NH2+][C@H]2CC[C@H](NC(=O)C3CCCCC3)CC2)CC1 ZINC001173334772 1050424366 /nfs/dbraw/zinc/42/43/66/1050424366.db2.gz XCGDEFCKOVRFFM-JNXHAIIESA-N 1 0 345.531 4.056 20 30 EIEDRO N#CCC1CCC([N@@H+]2CCc3c(Br)cccc3C2)CC1 ZINC001173337260 1050424960 /nfs/dbraw/zinc/42/49/60/1050424960.db2.gz DLFHXYSRUKQNDJ-UHFFFAOYSA-N 1 0 333.273 4.280 20 30 EIEDRO CCOC(=O)C[N@H+]([C@H](C)c1ccccc1)C1CCC(CC#N)CC1 ZINC001173336818 1050425371 /nfs/dbraw/zinc/42/53/71/1050425371.db2.gz NASDLEWJQWSCNR-LRYGQEGESA-N 1 0 328.456 4.085 20 30 EIEDRO CC[N@H+](C1CCC(CC#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173337043 1050425766 /nfs/dbraw/zinc/42/57/66/1050425766.db2.gz WSUKYAQAHSPWLN-DAWZGUTISA-N 1 0 349.519 4.180 20 30 EIEDRO CCN(C(=O)OC(C)(C)C)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173339072 1050428267 /nfs/dbraw/zinc/42/82/67/1050428267.db2.gz KXHJDKSETDCQPF-UHFFFAOYSA-N 1 0 349.519 4.180 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cc(F)ccc2C(F)(F)F)CC1 ZINC001173315670 1050438163 /nfs/dbraw/zinc/43/81/63/1050438163.db2.gz OYBUZFRGSSYRMD-UHFFFAOYSA-N 1 0 331.353 4.448 20 30 EIEDRO C=CCOC1CCC([N@H+](C)Cc2ncccc2C(F)(F)F)CC1 ZINC001173320159 1050441298 /nfs/dbraw/zinc/44/12/98/1050441298.db2.gz BVQOJMUVLSZWIT-UHFFFAOYSA-N 1 0 328.378 4.046 20 30 EIEDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)n(-c2ccccc2)n1 ZINC000182046509 1050444953 /nfs/dbraw/zinc/44/49/53/1050444953.db2.gz WWEAINOGGATHJP-FUHWJXTLSA-N 1 0 344.462 4.334 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC001178374572 1050449474 /nfs/dbraw/zinc/44/94/74/1050449474.db2.gz STBDXCFWPLEVBQ-KRWDZBQOSA-N 1 0 336.479 4.465 20 30 EIEDRO CCCCCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173424697 1050454838 /nfs/dbraw/zinc/45/48/38/1050454838.db2.gz DVVGMGROSXVVMR-KRWDZBQOSA-N 1 0 341.499 4.111 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001173586668 1050492200 /nfs/dbraw/zinc/49/22/00/1050492200.db2.gz DKTAWWZOQZHLBW-UHFFFAOYSA-N 1 0 339.527 4.003 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001173584803 1050492340 /nfs/dbraw/zinc/49/23/40/1050492340.db2.gz NDZODSWGNDATGR-UHFFFAOYSA-N 1 0 331.769 4.316 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc2cnccc2c1 ZINC000618717528 1050493084 /nfs/dbraw/zinc/49/30/84/1050493084.db2.gz HYYMXVKMKLGDDQ-UHFFFAOYSA-N 1 0 333.460 4.129 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cn(Cc3cccc(Cl)c3)cn2)CC1 ZINC001173591533 1050494714 /nfs/dbraw/zinc/49/47/14/1050494714.db2.gz TXYQQPJASGCSKA-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO CN(C[C@H]1CCC[N@@H+](C2CCC(C)(C#N)CC2)C1)C(=O)OC(C)(C)C ZINC001173592147 1050496560 /nfs/dbraw/zinc/49/65/60/1050496560.db2.gz IADVNIIYJFTWPP-ZRZPHAQCSA-N 1 0 349.519 4.038 20 30 EIEDRO COc1ccccc1OC1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173598919 1050498930 /nfs/dbraw/zinc/49/89/30/1050498930.db2.gz VOPPRTSAQJTAIN-UHFFFAOYSA-N 1 0 328.456 4.011 20 30 EIEDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173597010 1050499916 /nfs/dbraw/zinc/49/99/16/1050499916.db2.gz JWZHWYKUIHLOOO-FDYSRKEFSA-N 1 0 326.440 4.083 20 30 EIEDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173597013 1050500469 /nfs/dbraw/zinc/50/04/69/1050500469.db2.gz JWZHWYKUIHLOOO-QPIRBTGLSA-N 1 0 326.440 4.083 20 30 EIEDRO CCOc1cc2c(cc1OCC)C[N@@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173601450 1050501784 /nfs/dbraw/zinc/50/17/84/1050501784.db2.gz UPEMXYDVRPOLOJ-UHFFFAOYSA-N 1 0 342.483 4.315 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173600607 1050502461 /nfs/dbraw/zinc/50/24/61/1050502461.db2.gz GNDQFIWEYRJRPW-BBOORHDQSA-N 1 0 346.515 4.434 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000618802759 1050519309 /nfs/dbraw/zinc/51/93/09/1050519309.db2.gz FPWCDPSCXDGGLT-LIRRHRJNSA-N 1 0 334.419 4.058 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(OC(F)F)cc1 ZINC000618802263 1050519349 /nfs/dbraw/zinc/51/93/49/1050519349.db2.gz HRAAKQSLBXTAJM-KPZWWZAWSA-N 1 0 328.362 4.498 20 30 EIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c1C ZINC000618802377 1050522637 /nfs/dbraw/zinc/52/26/37/1050522637.db2.gz DNQIFLHQHWFGSD-BTYIYWSLSA-N 1 0 347.462 4.169 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cnn(Cc2ccccc2)c1 ZINC000618807758 1050535176 /nfs/dbraw/zinc/53/51/76/1050535176.db2.gz WHWDLKQUPOHPRG-OPAMFIHVSA-N 1 0 342.446 4.141 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cnn(Cc2ccccc2)c1 ZINC000618807759 1050536774 /nfs/dbraw/zinc/53/67/74/1050536774.db2.gz WHWDLKQUPOHPRG-ZHRRBRCNSA-N 1 0 342.446 4.141 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cnn(Cc2ccccc2)c1 ZINC000618807757 1050536867 /nfs/dbraw/zinc/53/68/67/1050536867.db2.gz WHWDLKQUPOHPRG-KSFYIVLOSA-N 1 0 342.446 4.141 20 30 EIEDRO C=CCC1(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CCCC1 ZINC001178709223 1050536997 /nfs/dbraw/zinc/53/69/97/1050536997.db2.gz DGRAZBQOGUJPCJ-UHFFFAOYSA-N 1 0 339.382 4.243 20 30 EIEDRO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711579 1050553554 /nfs/dbraw/zinc/55/35/54/1050553554.db2.gz FLLINOLJTJIUBX-FYYLOGMGSA-N 1 0 346.474 4.358 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC001178852776 1050572188 /nfs/dbraw/zinc/57/21/88/1050572188.db2.gz YJBKFUGJZXUIDQ-QFUCXCTJSA-N 1 0 330.516 4.411 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(Br)c(C#N)c1 ZINC001173931946 1050652611 /nfs/dbraw/zinc/65/26/11/1050652611.db2.gz NWJWETAMLBAJKK-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO C#CCC[C@@H](O)C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC001179488912 1050702901 /nfs/dbraw/zinc/70/29/01/1050702901.db2.gz ADRGWDGHDQMIER-CYBMUJFWSA-N 1 0 338.234 4.117 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC001179506735 1050713652 /nfs/dbraw/zinc/71/36/52/1050713652.db2.gz IMQCDFCMMAJUAW-WJYNOGRTSA-N 1 0 346.268 4.007 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC001179506642 1050713873 /nfs/dbraw/zinc/71/38/73/1050713873.db2.gz DJYHSDKDDIYSIY-WKILWMFISA-N 1 0 348.893 4.225 20 30 EIEDRO C=CCc1cc(C[NH2+]CCc2ccc3ncccc3c2)cc(OC)c1O ZINC001179593869 1050726253 /nfs/dbraw/zinc/72/62/53/1050726253.db2.gz WIGVJFGVTBEWBH-UHFFFAOYSA-N 1 0 348.446 4.010 20 30 EIEDRO CC1(c2ccc(Cl)cc2)CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000619281540 1050739232 /nfs/dbraw/zinc/73/92/32/1050739232.db2.gz MIIRCBVEOOCCAY-UHFFFAOYSA-N 1 0 325.843 4.160 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2c(C)nc3ccccn32)cc1Cl ZINC001179758566 1050775311 /nfs/dbraw/zinc/77/53/11/1050775311.db2.gz JLZLVQMNHQPODV-UHFFFAOYSA-N 1 0 341.842 4.151 20 30 EIEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000619426041 1050785637 /nfs/dbraw/zinc/78/56/37/1050785637.db2.gz OOMQSTIGWIENDP-FXAWDEMLSA-N 1 0 340.515 4.117 20 30 EIEDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001179863211 1050809510 /nfs/dbraw/zinc/80/95/10/1050809510.db2.gz MCLOLWSNGOFUSY-UHFFFAOYSA-N 1 0 328.843 4.469 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc(C#N)cc1 ZINC000070693819 1050814249 /nfs/dbraw/zinc/81/42/49/1050814249.db2.gz UALRTSYJNQZSRI-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@H](NCc1cc(Cl)ccc1OCC#N)c1cccc([N+](=O)[O-])c1 ZINC000775187618 1050822384 /nfs/dbraw/zinc/82/23/84/1050822384.db2.gz QZEXYXJJIBYSOV-LBPRGKRZSA-N 1 0 345.786 4.001 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]CCCCC#N)cc1C[NH+]1CCCCC1 ZINC000182812740 1050840919 /nfs/dbraw/zinc/84/09/19/1050840919.db2.gz PEFIMDQHBNIOTG-QGZVFWFLSA-N 1 0 329.488 4.026 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)C1 ZINC000619672585 1050849900 /nfs/dbraw/zinc/84/99/00/1050849900.db2.gz ALVTVZQVFGCBGL-ZTNFWEORSA-N 1 0 348.425 4.199 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCN(c2ccccc2)C1 ZINC001179966822 1050851112 /nfs/dbraw/zinc/85/11/12/1050851112.db2.gz URRVGERLPYKIJA-HXUWFJFHSA-N 1 0 336.479 4.210 20 30 EIEDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754533 1050883697 /nfs/dbraw/zinc/88/36/97/1050883697.db2.gz CMBCCVNKDFVRRU-SFHVURJKSA-N 1 0 346.833 4.088 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccnn1-c1ccccc1 ZINC000619754771 1050883963 /nfs/dbraw/zinc/88/39/63/1050883963.db2.gz KHRRZDBAEFCRQO-CQSZACIVSA-N 1 0 336.826 4.248 20 30 EIEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748628 1050893800 /nfs/dbraw/zinc/89/38/00/1050893800.db2.gz KGSVRNFTDCXHKP-UHFFFAOYSA-N 1 0 330.863 4.070 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc1Cl ZINC000619748801 1050893831 /nfs/dbraw/zinc/89/38/31/1050893831.db2.gz PIHLCEFBHBISPI-UHFFFAOYSA-N 1 0 340.732 4.400 20 30 EIEDRO CCOc1cccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)c1 ZINC000775215817 1050894751 /nfs/dbraw/zinc/89/47/51/1050894751.db2.gz XSXOTTUKAVSLTN-AWEZNQCLSA-N 1 0 344.842 4.492 20 30 EIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)c1cccc(Cl)c1 ZINC001180183257 1050895531 /nfs/dbraw/zinc/89/55/31/1050895531.db2.gz AJPNLYBNBGZCFW-INIZCTEOSA-N 1 0 342.870 4.464 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000153014232 1050931778 /nfs/dbraw/zinc/93/17/78/1050931778.db2.gz ADVOLMLLWLIVAM-CQSZACIVSA-N 1 0 326.406 4.397 20 30 EIEDRO C=CCO[C@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001180317531 1050950566 /nfs/dbraw/zinc/95/05/66/1050950566.db2.gz IDELUVCLMYNLEL-QHCPKHFHSA-N 1 0 335.491 4.365 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC001180280945 1050953418 /nfs/dbraw/zinc/95/34/18/1050953418.db2.gz RHQZOYFRAGBLMQ-UHFFFAOYSA-N 1 0 331.843 4.285 20 30 EIEDRO CO[C@H](C)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000183105809 1050980209 /nfs/dbraw/zinc/98/02/09/1050980209.db2.gz HZCHDGKZNJJGSC-QGZVFWFLSA-N 1 0 349.478 4.342 20 30 EIEDRO C=CC[C@H]([NH2+]Cc1cccc(Br)c1OC)c1ccncc1 ZINC000775309810 1051056080 /nfs/dbraw/zinc/05/60/80/1051056080.db2.gz FBYAQQQCIVJSKK-INIZCTEOSA-N 1 0 347.256 4.260 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620193462 1051056809 /nfs/dbraw/zinc/05/68/09/1051056809.db2.gz HSDXSBXTHINPTE-FPOVZHCZSA-N 1 0 340.511 4.007 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001180950371 1051118476 /nfs/dbraw/zinc/11/84/76/1051118476.db2.gz AQFGEWBPZZWZOI-UKRRQHHQSA-N 1 0 340.389 4.145 20 30 EIEDRO C=C(C)Cc1ccc(C(=O)N[C@H]2CC[C@@H]([NH+](CC)CC)CC2)cc1 ZINC001190238630 1051138101 /nfs/dbraw/zinc/13/81/01/1051138101.db2.gz DKOJOKHZBNCAPY-BGYRXZFFSA-N 1 0 328.500 4.188 20 30 EIEDRO CCCCCCC[C@@H](C)C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181132777 1051162199 /nfs/dbraw/zinc/16/21/99/1051162199.db2.gz IOXSPPUWOLNAKG-KZNAEPCWSA-N 1 0 346.519 4.076 20 30 EIEDRO Cc1cccc(OCC[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC001190390155 1051164035 /nfs/dbraw/zinc/16/40/35/1051164035.db2.gz CBWIFUTVWAJVTA-UHFFFAOYSA-N 1 0 348.368 4.396 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC001181144255 1051165997 /nfs/dbraw/zinc/16/59/97/1051165997.db2.gz AYZSWHDPUSYREY-CZUORRHYSA-N 1 0 326.278 4.207 20 30 EIEDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000775377413 1051168860 /nfs/dbraw/zinc/16/88/60/1051168860.db2.gz WTSUIOHISVTHQN-HXUWFJFHSA-N 1 0 336.479 4.414 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000775386856 1051180804 /nfs/dbraw/zinc/18/08/04/1051180804.db2.gz GXPGSGFNVVQOGR-PKTZIBPZSA-N 1 0 342.442 4.412 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001190458209 1051192464 /nfs/dbraw/zinc/19/24/64/1051192464.db2.gz YWIZUAVYHPJFDV-IBGZPJMESA-N 1 0 349.833 4.209 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC000080877188 1051192681 /nfs/dbraw/zinc/19/26/81/1051192681.db2.gz NAFOMKSIAHCNGQ-LEWJYISDSA-N 1 0 347.462 4.142 20 30 EIEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC001181360960 1051210579 /nfs/dbraw/zinc/21/05/79/1051210579.db2.gz KRUOONWREPGGKH-UYAOXDASSA-N 1 0 330.516 4.435 20 30 EIEDRO C=C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000153861549 1051238002 /nfs/dbraw/zinc/23/80/02/1051238002.db2.gz ZWAHHOWGJSUHEO-RBUKOAKNSA-N 1 0 328.500 4.117 20 30 EIEDRO C#CC[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775401429 1051238801 /nfs/dbraw/zinc/23/88/01/1051238801.db2.gz UFJZJCSXIAXXQQ-ROUUACIJSA-N 1 0 333.353 4.093 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)C1CCC(F)CC1 ZINC001174934377 1051259513 /nfs/dbraw/zinc/25/95/13/1051259513.db2.gz UNFVYJRJTDYANU-ZOODHJKOSA-N 1 0 339.252 4.327 20 30 EIEDRO CC1(C)C[N@H+](CCCSCC#N)C(C)(C)CN1Cc1ccccc1 ZINC001174942631 1051262826 /nfs/dbraw/zinc/26/28/26/1051262826.db2.gz ZWTYHNCLIIATLE-UHFFFAOYSA-N 1 0 345.556 4.008 20 30 EIEDRO C=C(C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C)c1ccccc1 ZINC000620756491 1051273798 /nfs/dbraw/zinc/27/37/98/1051273798.db2.gz FCBYRDNQDVPJOV-UHFFFAOYSA-N 1 0 335.426 4.431 20 30 EIEDRO COc1ccc(C2([NH2+]Cc3cc(Cl)ccc3OCC#N)CC2)cc1 ZINC000775411716 1051276133 /nfs/dbraw/zinc/27/61/33/1051276133.db2.gz HTWIQYDICUHENI-UHFFFAOYSA-N 1 0 342.826 4.030 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000775411896 1051277600 /nfs/dbraw/zinc/27/76/00/1051277600.db2.gz YCGZRACCJJJDSD-GOSISDBHSA-N 1 0 341.838 4.356 20 30 EIEDRO C[C@@H]1CCC[C@@H](CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001190818740 1051284199 /nfs/dbraw/zinc/28/41/99/1051284199.db2.gz NOSGHUZALHWQNF-MOPGFXCFSA-N 1 0 325.500 4.287 20 30 EIEDRO CCC[N@H+](CC1CCC(C#N)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001190895232 1051300239 /nfs/dbraw/zinc/30/02/39/1051300239.db2.gz QABODSWTQMBZRY-DAWZGUTISA-N 1 0 349.519 4.038 20 30 EIEDRO C=CC[C@@H](C)[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001190993807 1051321975 /nfs/dbraw/zinc/32/19/75/1051321975.db2.gz DBAJEAYZTUVRJV-HUUCEWRRSA-N 1 0 337.305 4.092 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)Cc2ccccc2SC)cc1 ZINC001181919915 1051352204 /nfs/dbraw/zinc/35/22/04/1051352204.db2.gz LIUQUXHTINEMAG-INIZCTEOSA-N 1 0 325.477 4.141 20 30 EIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191156575 1051366131 /nfs/dbraw/zinc/36/61/31/1051366131.db2.gz LXGHIXWUZFUSRH-QAPCUYQASA-N 1 0 335.407 4.153 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1C#N ZINC001191173734 1051374199 /nfs/dbraw/zinc/37/41/99/1051374199.db2.gz IHCWLLCGRIHFAC-GOSISDBHSA-N 1 0 336.410 4.101 20 30 EIEDRO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001191182132 1051390852 /nfs/dbraw/zinc/39/08/52/1051390852.db2.gz PFYZEJJWVKKELB-INIZCTEOSA-N 1 0 326.827 4.210 20 30 EIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001191232122 1051404436 /nfs/dbraw/zinc/40/44/36/1051404436.db2.gz GFZPXHNFXUQYQH-RTWAWAEBSA-N 1 0 347.462 4.155 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC001191416920 1051451548 /nfs/dbraw/zinc/45/15/48/1051451548.db2.gz LBDPROQPQLKBLR-NRFANRHFSA-N 1 0 333.479 4.276 20 30 EIEDRO COCC#CC[N@H+](C)[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001191443548 1051458950 /nfs/dbraw/zinc/45/89/50/1051458950.db2.gz BXXQFBUXFBXFRR-IBGZPJMESA-N 1 0 331.818 4.150 20 30 EIEDRO N#C[C@H](c1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001191520523 1051473197 /nfs/dbraw/zinc/47/31/97/1051473197.db2.gz HTOOGRNCFLTXDB-XPWALMASSA-N 1 0 345.490 4.238 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(OC(C)C)c1)c1ccc(C#N)cc1 ZINC000774204228 1051500335 /nfs/dbraw/zinc/50/03/35/1051500335.db2.gz QOOVYHROKLMKLH-SFTDATJTSA-N 1 0 338.451 4.120 20 30 EIEDRO Cc1cc(C[NH+](C)C)cc(NCc2cccc(OCCCC#N)c2)c1 ZINC000156419302 1051531708 /nfs/dbraw/zinc/53/17/08/1051531708.db2.gz CDQNHIAKYZUJQO-UHFFFAOYSA-N 1 0 337.467 4.351 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC001175332065 1051536044 /nfs/dbraw/zinc/53/60/44/1051536044.db2.gz BKNHLYGBXFVMBQ-UXHICEINSA-N 1 0 340.854 4.448 20 30 EIEDRO N#Cc1cc2cccnc2nc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175361696 1051550077 /nfs/dbraw/zinc/55/00/77/1051550077.db2.gz UTGQDDNIVJXNFN-UHFFFAOYSA-N 1 0 343.434 4.231 20 30 EIEDRO N#Cc1nc(Cl)ccc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175361762 1051550333 /nfs/dbraw/zinc/55/03/33/1051550333.db2.gz XOGOXBWEAFOGQH-UHFFFAOYSA-N 1 0 326.831 4.336 20 30 EIEDRO C=CCC1([NH2+]C[C@@H](O)c2ccccc2Br)CCCCC1 ZINC001175371703 1051558953 /nfs/dbraw/zinc/55/89/53/1051558953.db2.gz JQZQURRCNRYCTD-MRXNPFEDSA-N 1 0 338.289 4.351 20 30 EIEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(Cl)cc(C#N)c1)CCC2 ZINC001191861878 1051560073 /nfs/dbraw/zinc/56/00/73/1051560073.db2.gz NPEMHTCURYJPQH-INIZCTEOSA-N 1 0 331.872 4.486 20 30 EIEDRO C=CCCCCCN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000156779622 1051563771 /nfs/dbraw/zinc/56/37/71/1051563771.db2.gz GZSOSUDDLTWZDB-UHFFFAOYSA-N 1 0 328.456 4.313 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000774382155 1051568337 /nfs/dbraw/zinc/56/83/37/1051568337.db2.gz SDULGOHWICFWEA-JTNHKYCSSA-N 1 0 325.239 4.489 20 30 EIEDRO CC[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000774355955 1051573833 /nfs/dbraw/zinc/57/38/33/1051573833.db2.gz GPJIRPZYMKPQLO-ATKRNPRHSA-N 1 0 334.463 4.429 20 30 EIEDRO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001182523134 1051631114 /nfs/dbraw/zinc/63/11/14/1051631114.db2.gz ZDSLVILPBCFFQW-LJQANCHMSA-N 1 0 327.468 4.015 20 30 EIEDRO C#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001182545023 1051635763 /nfs/dbraw/zinc/63/57/63/1051635763.db2.gz UBAJXKUZOYRQGQ-ZDUSSCGKSA-N 1 0 332.419 4.324 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001182603947 1051656374 /nfs/dbraw/zinc/65/63/74/1051656374.db2.gz BUMFILOFUQZLEH-SJORKVTESA-N 1 0 336.520 4.051 20 30 EIEDRO C[C@H](C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1 ZINC001182793076 1051697918 /nfs/dbraw/zinc/69/79/18/1051697918.db2.gz JWYYWHHSKKEHEV-INIZCTEOSA-N 1 0 347.462 4.110 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC001182796832 1051698852 /nfs/dbraw/zinc/69/88/52/1051698852.db2.gz ZKPKPZCTZLIJAA-UHFFFAOYSA-N 1 0 345.273 4.297 20 30 EIEDRO CC#CCCCCCCCC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001182769601 1051706969 /nfs/dbraw/zinc/70/69/69/1051706969.db2.gz MVTZUVBJUQASAA-UHFFFAOYSA-N 1 0 332.532 4.075 20 30 EIEDRO C=CCCSCC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC001182783116 1051710893 /nfs/dbraw/zinc/71/08/93/1051710893.db2.gz TZQWERWIHFYNBF-AWEZNQCLSA-N 1 0 340.330 4.205 20 30 EIEDRO C[C@@H](c1ccccc1)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC001192388984 1051713197 /nfs/dbraw/zinc/71/31/97/1051713197.db2.gz GEKGFUHLOHZQGT-INIZCTEOSA-N 1 0 347.380 4.112 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)COc1ccc(CCOC)cc1 ZINC001182843719 1051714749 /nfs/dbraw/zinc/71/47/49/1051714749.db2.gz GHFWYPGZDMQGJV-FBBABVLZSA-N 1 0 331.500 4.367 20 30 EIEDRO C=CC[NH+](CC=C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000158144365 1051719234 /nfs/dbraw/zinc/71/92/34/1051719234.db2.gz XCNGRWMKVRCUED-UHFFFAOYSA-N 1 0 330.435 4.108 20 30 EIEDRO C=CCCC1(C[NH2+]Cc2[nH]cc(C(=O)OC)c2C2CC2)CCCC1 ZINC001182864168 1051726181 /nfs/dbraw/zinc/72/61/81/1051726181.db2.gz ASXCLKJMJMKTPT-UHFFFAOYSA-N 1 0 330.472 4.295 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](CO)c2cccc(F)c2)cc1 ZINC001192470632 1051731009 /nfs/dbraw/zinc/73/10/09/1051731009.db2.gz DWTJHANTJDOIMK-QFIPXVFZSA-N 1 0 346.405 4.188 20 30 EIEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccc(-c2ccccc2)cc1)C1CCOCC1 ZINC001182990422 1051756874 /nfs/dbraw/zinc/75/68/74/1051756874.db2.gz QRNAZPCIHCUNIN-WZONZLPQSA-N 1 0 333.475 4.303 20 30 EIEDRO CC(C)([NH2+]CCc1ccc(C#N)cc1)c1ccccc1Br ZINC001192575885 1051767479 /nfs/dbraw/zinc/76/74/79/1051767479.db2.gz XHWFRKNEISSCGD-UHFFFAOYSA-N 1 0 343.268 4.388 20 30 EIEDRO C=CCN1CC[C@H]([NH2+]C2(c3ccc(C(C)(C)C)cc3)CCCC2)C1=O ZINC001192585573 1051770483 /nfs/dbraw/zinc/77/04/83/1051770483.db2.gz WTGXUZNHKPCZEC-IBGZPJMESA-N 1 0 340.511 4.130 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000158961036 1051801321 /nfs/dbraw/zinc/80/13/21/1051801321.db2.gz KWGHNVCCHJVTNM-HSZRJFAPSA-N 1 0 346.474 4.162 20 30 EIEDRO COc1cccc2c(C[N@@H+]3CCc4c(CC#N)cccc4C3)cccc12 ZINC001183181786 1051802083 /nfs/dbraw/zinc/80/20/83/1051802083.db2.gz YIPSTMDLFNLCNQ-UHFFFAOYSA-N 1 0 342.442 4.473 20 30 EIEDRO C#CC[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001192792047 1051817355 /nfs/dbraw/zinc/81/73/55/1051817355.db2.gz OTFVQZISNNSZDC-SFHVURJKSA-N 1 0 333.353 4.482 20 30 EIEDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001192919501 1051833532 /nfs/dbraw/zinc/83/35/32/1051833532.db2.gz VABALRIJMVTPMI-ZWKOTPCHSA-N 1 0 333.479 4.140 20 30 EIEDRO N#Cc1cc(Br)c(Cl)cc1Nc1ccc(C[NH3+])cc1 ZINC001175970489 1051854583 /nfs/dbraw/zinc/85/45/83/1051854583.db2.gz DQVXCIJMXWDXLG-UHFFFAOYSA-N 1 0 336.620 4.176 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1)[C@H]1CCCO1 ZINC000775574574 1051871134 /nfs/dbraw/zinc/87/11/34/1051871134.db2.gz RAXDHNFHIDQDSV-QGCDCVKKSA-N 1 0 335.447 4.194 20 30 EIEDRO C#CCCCCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001193226198 1051892533 /nfs/dbraw/zinc/89/25/33/1051892533.db2.gz VBEJESARBIYTSE-MSOLQXFVSA-N 1 0 336.520 4.195 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001176114084 1051918074 /nfs/dbraw/zinc/91/80/74/1051918074.db2.gz OSAWPKBAVIOHCM-CQSZACIVSA-N 1 0 340.309 4.389 20 30 EIEDRO C#CC[N@@H+](C[C@@H](C)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176130425 1051925940 /nfs/dbraw/zinc/92/59/40/1051925940.db2.gz VIZOOONBYGFEND-MRXNPFEDSA-N 1 0 336.520 4.003 20 30 EIEDRO CC#CCN(C)Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC001184115348 1051956991 /nfs/dbraw/zinc/95/69/91/1051956991.db2.gz DKIPNVHHVVJJDN-UHFFFAOYSA-N 1 0 329.875 4.278 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001193662836 1051969901 /nfs/dbraw/zinc/96/99/01/1051969901.db2.gz PBAHKEXHZXGHAN-PAJWEWNKSA-N 1 0 347.547 4.110 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2cc(C#N)c(F)cc2Br)cc1 ZINC001176292802 1051981587 /nfs/dbraw/zinc/98/15/87/1051981587.db2.gz VWYKFLUZEBQSKW-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO CCc1ccc([C@H](CNc2ncc(Cl)c(C)c2C#N)[NH+](C)C)cc1 ZINC001184490946 1052013180 /nfs/dbraw/zinc/01/31/80/1052013180.db2.gz DNNXIGGVDLUUER-SFHVURJKSA-N 1 0 342.874 4.192 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc4cc(O)ccc4c3)sc2C1 ZINC001176386576 1052029919 /nfs/dbraw/zinc/02/99/19/1052029919.db2.gz NXNKBIREMZAWBA-UHFFFAOYSA-N 1 0 335.432 4.210 20 30 EIEDRO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001194019250 1052050639 /nfs/dbraw/zinc/05/06/39/1052050639.db2.gz CBJGPYALIHPMFR-QGZVFWFLSA-N 1 0 329.463 4.200 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC001194051277 1052062131 /nfs/dbraw/zinc/06/21/31/1052062131.db2.gz ASWHLHBBHGMDIT-FQEVSTJZSA-N 1 0 329.484 4.041 20 30 EIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1OC ZINC001194093740 1052084294 /nfs/dbraw/zinc/08/42/94/1052084294.db2.gz WPGVZLYWGNBKQM-HZPDHXFCSA-N 1 0 340.389 4.260 20 30 EIEDRO C=C1CC(C)(C(=O)Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)C1 ZINC001184791591 1052106930 /nfs/dbraw/zinc/10/69/30/1052106930.db2.gz KTARQGIHNGTMFY-FQEVSTJZSA-N 1 0 338.495 4.325 20 30 EIEDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001194222270 1052110195 /nfs/dbraw/zinc/11/01/95/1052110195.db2.gz QPHYNKZAGJIDJZ-UTKZUKDTSA-N 1 0 347.462 4.360 20 30 EIEDRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001194222268 1052111280 /nfs/dbraw/zinc/11/12/80/1052111280.db2.gz QPHYNKZAGJIDJZ-LAUBAEHRSA-N 1 0 347.462 4.360 20 30 EIEDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001184864327 1052120764 /nfs/dbraw/zinc/12/07/64/1052120764.db2.gz HHSQWKGVVBDEJP-HOTGVXAUSA-N 1 0 328.504 4.031 20 30 EIEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001184864329 1052121090 /nfs/dbraw/zinc/12/10/90/1052121090.db2.gz HHSQWKGVVBDEJP-HZPDHXFCSA-N 1 0 328.504 4.031 20 30 EIEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC001194505818 1052161571 /nfs/dbraw/zinc/16/15/71/1052161571.db2.gz VLYUXGJXUOUPSP-QFIPXVFZSA-N 1 0 348.446 4.037 20 30 EIEDRO C=C(C)COc1cc(CNCC[N@H+](C)C2CCCCC2)ccc1OC ZINC000622266610 1052169766 /nfs/dbraw/zinc/16/97/66/1052169766.db2.gz NXOIFGHLVYWZCV-UHFFFAOYSA-N 1 0 346.515 4.004 20 30 EIEDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001176663287 1052172795 /nfs/dbraw/zinc/17/27/95/1052172795.db2.gz DTLZELLAPKQHMY-IBGZPJMESA-N 1 0 326.465 4.248 20 30 EIEDRO CCC[C@](C)([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC001176891606 1052201430 /nfs/dbraw/zinc/20/14/30/1052201430.db2.gz KCKLTMKBNBANKK-FQEVSTJZSA-N 1 0 339.439 4.012 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+]Cc1csc(C#N)c1)c1ccccc1Cl ZINC001177117509 1052227838 /nfs/dbraw/zinc/22/78/38/1052227838.db2.gz XGKDOUHUSGLREF-SFHVURJKSA-N 1 0 347.915 4.446 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1Cl ZINC000671193382 1052228164 /nfs/dbraw/zinc/22/81/64/1052228164.db2.gz LTJLFQVHNBSZTN-UHFFFAOYSA-N 1 0 341.842 4.113 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cccc2ncccc12 ZINC001177132675 1052233634 /nfs/dbraw/zinc/23/36/34/1052233634.db2.gz LNSSTOXXZOHMPM-UHFFFAOYSA-N 1 0 333.460 4.129 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H](C)C1CCCCC1 ZINC000185512633 1052620274 /nfs/dbraw/zinc/62/02/74/1052620274.db2.gz HXQGMFQJBIIUHJ-UONOGXRCSA-N 1 0 333.501 4.143 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)c1 ZINC000073012562 1052672750 /nfs/dbraw/zinc/67/27/50/1052672750.db2.gz PGXHVRTYBFSGPX-IBGZPJMESA-N 1 0 346.434 4.047 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)Cc2ccccn2)cc1OC ZINC000623561785 1052680464 /nfs/dbraw/zinc/68/04/64/1052680464.db2.gz YUEUNAYPGLVYBN-AWEZNQCLSA-N 1 0 346.858 4.029 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC[C@@H]2CC2(F)F)cc1OC ZINC000623575725 1052683265 /nfs/dbraw/zinc/68/32/65/1052683265.db2.gz MTMAHGHNCFJBEN-GFCCVEGCSA-N 1 0 331.790 4.048 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1ccccc1 ZINC000180047568 1052776142 /nfs/dbraw/zinc/77/61/42/1052776142.db2.gz MBUIEJSIDPDNHV-DOTOQJQBSA-N 1 0 328.481 4.222 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](C)c2cc(Br)ccc2C)CC1 ZINC000623889170 1052833430 /nfs/dbraw/zinc/83/34/30/1052833430.db2.gz GGTVKNBIYXNEJD-CQSZACIVSA-N 1 0 337.305 4.059 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000182332691 1052927170 /nfs/dbraw/zinc/92/71/70/1052927170.db2.gz UBDVLCPRSWPHJP-LJQANCHMSA-N 1 0 349.478 4.209 20 30 EIEDRO C=CCC[C@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1CC1 ZINC000183076429 1052962833 /nfs/dbraw/zinc/96/28/33/1052962833.db2.gz JFYKJVSSFGYAMR-NRFANRHFSA-N 1 0 328.500 4.048 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184351227 1052997548 /nfs/dbraw/zinc/99/75/48/1052997548.db2.gz LDHBJFNCZMJJAV-MLGOLLRUSA-N 1 0 334.460 4.235 20 30 EIEDRO C=CCOc1cccc(CNCc2nc3ccccc3n2C2CC2)c1 ZINC000184784555 1053006428 /nfs/dbraw/zinc/00/64/28/1053006428.db2.gz HIRYFPIHFDETNN-UHFFFAOYSA-N 1 0 333.435 4.226 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc3ccc(C)cc3[nH]2)c1 ZINC000850137840 1053078105 /nfs/dbraw/zinc/07/81/05/1053078105.db2.gz XGHWFHRXUWXCTE-LJQANCHMSA-N 1 0 333.435 4.447 20 30 EIEDRO CCCCCCCCOC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001194752234 1053081020 /nfs/dbraw/zinc/08/10/20/1053081020.db2.gz GIRQZZHXKXTCIF-UHFFFAOYSA-N 1 0 333.476 4.137 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C3CCC(O)(c4ccccc4)CC3)cc2)CC1 ZINC000850246167 1053096363 /nfs/dbraw/zinc/09/63/63/1053096363.db2.gz GRZODQMOWFKYIW-UHFFFAOYSA-N 1 0 346.474 4.162 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN(CC[NH+]1CCCCCC1)C1CCC1 ZINC001194806454 1053109193 /nfs/dbraw/zinc/10/91/93/1053109193.db2.gz LJRLBWOPPJZLPS-UHFFFAOYSA-N 1 0 345.918 4.442 20 30 EIEDRO CCCCCCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764466356 1053121007 /nfs/dbraw/zinc/12/10/07/1053121007.db2.gz JJGXYWBUKCXXLB-SFTDATJTSA-N 1 0 337.596 4.085 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)cc1 ZINC000850387919 1053160255 /nfs/dbraw/zinc/16/02/55/1053160255.db2.gz CTTKPPATYZSOHC-ATZDWAIDSA-N 1 0 342.483 4.193 20 30 EIEDRO CC[N@@H+](c1ccc(NCc2cc(C#N)ccc2N(C)C)cc1)C(C)C ZINC000864026081 1053163514 /nfs/dbraw/zinc/16/35/14/1053163514.db2.gz YSHPPMNROGUUEM-UHFFFAOYSA-N 1 0 336.483 4.471 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850412167 1053179125 /nfs/dbraw/zinc/17/91/25/1053179125.db2.gz BCOMJHHFVQKYIO-SJORKVTESA-N 1 0 334.872 4.121 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000764563645 1053200339 /nfs/dbraw/zinc/20/03/39/1053200339.db2.gz JXZTWEIDQDKLOT-QAPCUYQASA-N 1 0 348.874 4.364 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]C3CC(CF)(CF)C3)c2)s1 ZINC000850437702 1053209601 /nfs/dbraw/zinc/20/96/01/1053209601.db2.gz SAOLBKFFIOLATN-UHFFFAOYSA-N 1 0 332.419 4.464 20 30 EIEDRO N#C[C@H]1CCCN(Cc2cc(Cl)ccc2Br)CC1 ZINC001137526421 1053211197 /nfs/dbraw/zinc/21/11/97/1053211197.db2.gz OIJKKRYCJLRQQW-NSHDSACASA-N 1 0 327.653 4.228 20 30 EIEDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C12CCC2 ZINC001194982561 1053214426 /nfs/dbraw/zinc/21/44/26/1053214426.db2.gz ABDDHSWGJJAUTL-SFTDATJTSA-N 1 0 332.447 4.272 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc3cnccc3o2)c1 ZINC000850442167 1053215895 /nfs/dbraw/zinc/21/58/95/1053215895.db2.gz BPAFRSGIENKJKY-WMLDXEAASA-N 1 0 335.407 4.360 20 30 EIEDRO C#CC[NH2+][C@@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000764598244 1053221338 /nfs/dbraw/zinc/22/13/38/1053221338.db2.gz FNMDKXZLPKHWAF-JTQLQIEISA-N 1 0 335.270 4.165 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)C(C)(C)C(F)F)ccc1OC ZINC000850444233 1053221254 /nfs/dbraw/zinc/22/12/54/1053221254.db2.gz VQQUEMOQFCYKSE-JSGCOSHPSA-N 1 0 340.414 4.146 20 30 EIEDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000850484830 1053256013 /nfs/dbraw/zinc/25/60/13/1053256013.db2.gz RCMNLVMPLVMUAS-BEFAXECRSA-N 1 0 326.415 4.400 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000850534640 1053297247 /nfs/dbraw/zinc/29/72/47/1053297247.db2.gz LHOFLSKPRWHEDN-AWEZNQCLSA-N 1 0 345.874 4.280 20 30 EIEDRO C[C@H]([NH2+]CCOCCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000339070153 1053318987 /nfs/dbraw/zinc/31/89/87/1053318987.db2.gz WYKXTXRTSQKQRI-HNNXBMFYSA-N 1 0 328.387 4.199 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccnc2OCC)cc1 ZINC000764860139 1053338920 /nfs/dbraw/zinc/33/89/20/1053338920.db2.gz IAXQQFOFMGEEGL-HNNXBMFYSA-N 1 0 346.858 4.462 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)cc1 ZINC000776498134 1053374369 /nfs/dbraw/zinc/37/43/69/1053374369.db2.gz GVUVPBOWOANLMC-HRAATJIYSA-N 1 0 341.426 4.094 20 30 EIEDRO CC[C@@H]1[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC[N@@H+]1C ZINC000864862201 1053374690 /nfs/dbraw/zinc/37/46/90/1053374690.db2.gz BZSILLMRNOWGAI-PWRODBHTSA-N 1 0 347.462 4.011 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)cc1 ZINC000776498135 1053375267 /nfs/dbraw/zinc/37/52/67/1053375267.db2.gz GVUVPBOWOANLMC-IERDGZPVSA-N 1 0 341.426 4.094 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001195367268 1053383868 /nfs/dbraw/zinc/38/38/68/1053383868.db2.gz HAZGDXWZASWCOU-LBPRGKRZSA-N 1 0 329.787 4.313 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)cc1 ZINC000765084716 1053434672 /nfs/dbraw/zinc/43/46/72/1053434672.db2.gz XLMJOZWXYMQUAR-LSDHHAIUSA-N 1 0 327.399 4.258 20 30 EIEDRO CC(C)(C)OC(=O)CC1([NH2+]Cc2cccc(C#N)c2F)CCCCC1 ZINC001195569451 1053438510 /nfs/dbraw/zinc/43/85/10/1053438510.db2.gz ZYXJIXBNTAGGIF-UHFFFAOYSA-N 1 0 346.446 4.222 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cc(C(=O)OC)c(CC)o1)c1ccccc1 ZINC000338934538 1053454969 /nfs/dbraw/zinc/45/49/69/1053454969.db2.gz ACSPOUSBQBAYAP-SFHVURJKSA-N 1 0 327.424 4.426 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1C#N ZINC000765283017 1053491890 /nfs/dbraw/zinc/49/18/90/1053491890.db2.gz YIIZTJDBTNAUSW-KRWDZBQOSA-N 1 0 340.398 4.098 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000925487497 1053509627 /nfs/dbraw/zinc/50/96/27/1053509627.db2.gz WOKPMFGMZADPAV-HFAKWTLXSA-N 1 0 329.271 4.333 20 30 EIEDRO CC(C)[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1F ZINC001195927100 1053530445 /nfs/dbraw/zinc/53/04/45/1053530445.db2.gz DDPKSWOAITZEDJ-FQEVSTJZSA-N 1 0 326.415 4.453 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000776581002 1053563712 /nfs/dbraw/zinc/56/37/12/1053563712.db2.gz BRQQNONUAYMGGV-IAGOWNOFSA-N 1 0 349.519 4.038 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCC(=O)Nc1ccccc1C(C)=O ZINC001196058046 1053567227 /nfs/dbraw/zinc/56/72/27/1053567227.db2.gz WHSGZTRGZPDKQK-PKOBYXMFSA-N 1 0 342.483 4.332 20 30 EIEDRO N#CC[C@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000852319998 1053567789 /nfs/dbraw/zinc/56/77/89/1053567789.db2.gz UPNYPWGOXOCKRG-OAHLLOKOSA-N 1 0 336.464 4.188 20 30 EIEDRO CC(C)([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000852353868 1053573125 /nfs/dbraw/zinc/57/31/25/1053573125.db2.gz QDPNDHVKTALMEF-KRWDZBQOSA-N 1 0 348.368 4.135 20 30 EIEDRO CC(C)(C#N)CC[N@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000776592055 1053574784 /nfs/dbraw/zinc/57/47/84/1053574784.db2.gz XPCUFFNMBTUMNG-QHCPKHFHSA-N 1 0 348.490 4.262 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@]12C[C@H]1CCCC2 ZINC000865704451 1053576902 /nfs/dbraw/zinc/57/69/02/1053576902.db2.gz UBGKIQUTJGTBGI-WEYGHZABSA-N 1 0 337.511 4.081 20 30 EIEDRO CCC(CC)(C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C(F)(F)F ZINC000865756481 1053586042 /nfs/dbraw/zinc/58/60/42/1053586042.db2.gz PKYCNDYZGLTAOC-CYBMUJFWSA-N 1 0 328.378 4.436 20 30 EIEDRO C[C@@H](COc1cccc(F)c1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000338950863 1053599506 /nfs/dbraw/zinc/59/95/06/1053599506.db2.gz GESVWBRQGCPUMU-INIZCTEOSA-N 1 0 342.414 4.065 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000865834186 1053604001 /nfs/dbraw/zinc/60/40/01/1053604001.db2.gz LNQMIPYXBSOZCF-OWCLPIDISA-N 1 0 333.273 4.007 20 30 EIEDRO CC[N@H+](Cc1ccc(Br)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000171972147 1053630332 /nfs/dbraw/zinc/63/03/32/1053630332.db2.gz JCAMYAZOANMPLT-CYBMUJFWSA-N 1 0 344.256 4.299 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cn1 ZINC000171972366 1053630432 /nfs/dbraw/zinc/63/04/32/1053630432.db2.gz XDKHPTXJRFHAGZ-UHFFFAOYSA-N 1 0 344.256 4.126 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccsc2)n1 ZINC000111219426 1053664184 /nfs/dbraw/zinc/66/41/84/1053664184.db2.gz TYYXSLZCABAGMJ-UHFFFAOYSA-N 1 0 336.464 4.351 20 30 EIEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000866294757 1053680689 /nfs/dbraw/zinc/68/06/89/1053680689.db2.gz MKZKJUVHLJMZNX-KRWDZBQOSA-N 1 0 345.446 4.248 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](c2ccccn2)C(C)C)cc(OC)c1OC ZINC000866292388 1053681427 /nfs/dbraw/zinc/68/14/27/1053681427.db2.gz LUXRLDZQJOJSCV-FQEVSTJZSA-N 1 0 340.467 4.314 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1csc(C#N)c1 ZINC000921535796 1053728050 /nfs/dbraw/zinc/72/80/50/1053728050.db2.gz MARGOUXGGMNAQA-MRXNPFEDSA-N 1 0 339.508 4.284 20 30 EIEDRO C[C@@H](CSC(C)(C)C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866449298 1053732991 /nfs/dbraw/zinc/73/29/91/1053732991.db2.gz UCBWJSHMFPAHDX-HNNXBMFYSA-N 1 0 331.529 4.037 20 30 EIEDRO C[C@H](CSC(C)(C)C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866449299 1053733443 /nfs/dbraw/zinc/73/34/43/1053733443.db2.gz UCBWJSHMFPAHDX-OAHLLOKOSA-N 1 0 331.529 4.037 20 30 EIEDRO CCCCCCCC[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854078789 1053751013 /nfs/dbraw/zinc/75/10/13/1053751013.db2.gz HDULZZIBLJPQSC-UHFFFAOYSA-N 1 0 328.460 4.065 20 30 EIEDRO C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC001196827879 1053783605 /nfs/dbraw/zinc/78/36/05/1053783605.db2.gz BTMYPFPNOIOVRY-YOEHRIQHSA-N 1 0 340.389 4.488 20 30 EIEDRO C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC001196827875 1053784647 /nfs/dbraw/zinc/78/46/47/1053784647.db2.gz BTMYPFPNOIOVRY-RHSMWYFYSA-N 1 0 340.389 4.488 20 30 EIEDRO CC1CC[NH+](CC[C@@H]2CCCN2CC#Cc2cccc(Cl)c2)CC1 ZINC001196935445 1053809247 /nfs/dbraw/zinc/80/92/47/1053809247.db2.gz JDLMVNPXRRPRDV-NRFANRHFSA-N 1 0 344.930 4.278 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000866632898 1053811633 /nfs/dbraw/zinc/81/16/33/1053811633.db2.gz PVODJXIDYXUBCD-RHSMWYFYSA-N 1 0 331.847 4.200 20 30 EIEDRO C=CCC1([NH2+]Cc2ncc(Br)cc2F)CCCCC1 ZINC001196952649 1053812137 /nfs/dbraw/zinc/81/21/37/1053812137.db2.gz JMCBNSODDQMQPL-UHFFFAOYSA-N 1 0 327.241 4.352 20 30 EIEDRO C=CCC1([NH2+]CC(=O)NCCc2c(C)cc(C)cc2C)CCCCC1 ZINC001196952180 1053812230 /nfs/dbraw/zinc/81/22/30/1053812230.db2.gz DISOSOLOILZZKA-UHFFFAOYSA-N 1 0 342.527 4.139 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(F)cc2)cc(OC)c1OC ZINC000112538668 1053839184 /nfs/dbraw/zinc/83/91/84/1053839184.db2.gz XPUMNBISLWVPDC-CQSZACIVSA-N 1 0 329.415 4.422 20 30 EIEDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552275030 1053846036 /nfs/dbraw/zinc/84/60/36/1053846036.db2.gz IUOSMWSNGSRNHJ-UZUQRXQVSA-N 1 0 345.490 4.440 20 30 EIEDRO N#Cc1ccc(F)c(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000121803095 1053848961 /nfs/dbraw/zinc/84/89/61/1053848961.db2.gz ATMTXDCDIFNJMQ-PKOBYXMFSA-N 1 0 342.414 4.159 20 30 EIEDRO N#Cc1ccc(F)c(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000121803249 1053849323 /nfs/dbraw/zinc/84/93/23/1053849323.db2.gz ATMTXDCDIFNJMQ-HKUYNNGSSA-N 1 0 342.414 4.159 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000776790131 1053876658 /nfs/dbraw/zinc/87/66/58/1053876658.db2.gz OKLMKAKFYXWGHA-UHFFFAOYSA-N 1 0 333.479 4.489 20 30 EIEDRO CCC1(CC)CCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001197514971 1053923153 /nfs/dbraw/zinc/92/31/53/1053923153.db2.gz VMXWKYZHNUDDKI-UHFFFAOYSA-N 1 0 341.499 4.205 20 30 EIEDRO CCc1ccc(C[NH2+]Cc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc1 ZINC000113348171 1053923322 /nfs/dbraw/zinc/92/33/22/1053923322.db2.gz OBMQMMCBVJDHNO-LJQANCHMSA-N 1 0 338.451 4.228 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)ccc2C)ccc1OC ZINC000113347636 1053924813 /nfs/dbraw/zinc/92/48/13/1053924813.db2.gz XKEUGFLTXRTVGA-IBGZPJMESA-N 1 0 338.451 4.283 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000122482905 1053982645 /nfs/dbraw/zinc/98/26/45/1053982645.db2.gz YVEAJAHFCRUSIO-SFHVURJKSA-N 1 0 349.478 4.228 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)cc1 ZINC000776849483 1054006954 /nfs/dbraw/zinc/00/69/54/1054006954.db2.gz LALLGLZSHCQQLQ-SSGKUCQKSA-N 1 0 346.474 4.250 20 30 EIEDRO Fc1cccc2c1CC[C@H]2[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC001197892353 1054014861 /nfs/dbraw/zinc/01/48/61/1054014861.db2.gz VOLNRAPFKBEEGA-GOSISDBHSA-N 1 0 333.328 4.473 20 30 EIEDRO C[C@@H]1c2cccc(Br)c2CC[N@H+]1CCCSCC#N ZINC000509490432 1054043900 /nfs/dbraw/zinc/04/39/00/1054043900.db2.gz YYTJUACFBRVCMD-GFCCVEGCSA-N 1 0 339.302 4.015 20 30 EIEDRO CCCCCCC[N@@H+]1CCCN(Cc2ccccc2)CCOCC1 ZINC001198140121 1054079067 /nfs/dbraw/zinc/07/90/67/1054079067.db2.gz BBZVKIANPMBQRG-UHFFFAOYSA-N 1 0 332.532 4.181 20 30 EIEDRO CC1(C)CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC001198202830 1054095203 /nfs/dbraw/zinc/09/52/03/1054095203.db2.gz ROPZTJHMDLHNSS-NHCUHLMSSA-N 1 0 334.463 4.107 20 30 EIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)cc1 ZINC001198243417 1054110040 /nfs/dbraw/zinc/11/00/40/1054110040.db2.gz VDXQRJLSQBCUHP-QFIPXVFZSA-N 1 0 333.406 4.118 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccccc4C#N)C3)nc2c1 ZINC000130775198 1054139684 /nfs/dbraw/zinc/13/96/84/1054139684.db2.gz JTYPIOOXKIIPID-GOSISDBHSA-N 1 0 330.435 4.123 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[NH2+][C@@H](c2ccncc2)C2CC2)cc1 ZINC001198498580 1054167772 /nfs/dbraw/zinc/16/77/72/1054167772.db2.gz KMHMNQLESSDQBZ-GOSISDBHSA-N 1 0 346.352 4.073 20 30 EIEDRO C[C@H]1CC[C@](CO)([NH2+]CCCCC2(C#N)CCC2)c2ccccc21 ZINC001198696712 1054228655 /nfs/dbraw/zinc/22/86/55/1054228655.db2.gz VWMBUFSDWBESAH-LAUBAEHRSA-N 1 0 326.484 4.225 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000857556002 1054309301 /nfs/dbraw/zinc/30/93/01/1054309301.db2.gz KOTSFUUBEQQAMG-CGBFIWBNSA-N 1 0 341.499 4.045 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023831 1054403944 /nfs/dbraw/zinc/40/39/44/1054403944.db2.gz RDKYKXBKCXPMFJ-NRFANRHFSA-N 1 0 347.462 4.183 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052183 1054410472 /nfs/dbraw/zinc/41/04/72/1054410472.db2.gz UYTXJPFFSGZINQ-QRWLVFNGSA-N 1 0 333.435 4.045 20 30 EIEDRO C[NH+](C)C1(C)CCC(N=Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000872372447 1054440280 /nfs/dbraw/zinc/44/02/80/1054440280.db2.gz ZDTQBNAPOGUMAH-UHFFFAOYSA-N 1 0 338.377 4.239 20 30 EIEDRO C[N@H+](Cc1ccccc1)C1CCC(=NNC[C@@H]2CCCC2(F)F)CC1 ZINC000872405823 1054442471 /nfs/dbraw/zinc/44/24/71/1054442471.db2.gz DMPPIBLSQDUWDV-KKFHFHRHSA-N 1 0 349.469 4.442 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(C#N)cc1 ZINC000552881377 1054484613 /nfs/dbraw/zinc/48/46/13/1054484613.db2.gz VAFXEWRBLKCDSP-KGLIPLIRSA-N 1 0 333.435 4.200 20 30 EIEDRO Cc1ccc(Br)c(F)c1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000873130299 1054490462 /nfs/dbraw/zinc/49/04/62/1054490462.db2.gz AFRVOYADERFLOT-RYUDHWBXSA-N 1 0 325.225 4.069 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)cc1 ZINC000873186531 1054508239 /nfs/dbraw/zinc/50/82/39/1054508239.db2.gz QIPNXNDKKFSELJ-STQMWFEESA-N 1 0 349.356 4.242 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCCCC[NH3+] ZINC000873311631 1054525695 /nfs/dbraw/zinc/52/56/95/1054525695.db2.gz ZRHRPAFSQZWYMC-HNNXBMFYSA-N 1 0 348.516 4.064 20 30 EIEDRO C#CCCc1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)n1 ZINC000858688431 1054549347 /nfs/dbraw/zinc/54/93/47/1054549347.db2.gz DIEZBFJNPSCRRS-VQTJNVASSA-N 1 0 349.478 4.041 20 30 EIEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)cc1F)Oc1cccc(Cl)c1 ZINC001200980738 1054594156 /nfs/dbraw/zinc/59/41/56/1054594156.db2.gz PMFXYLHVEPIFSL-MRXNPFEDSA-N 1 0 332.806 4.298 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416725 1054672914 /nfs/dbraw/zinc/67/29/14/1054672914.db2.gz UHLPAOWQQPZDRH-KRWDZBQOSA-N 1 0 342.389 4.247 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(OCC#N)cc1)c1nc2ccccc2s1 ZINC000859469001 1054684265 /nfs/dbraw/zinc/68/42/65/1054684265.db2.gz HZCVIDDTZBXRIA-UHFFFAOYSA-N 1 0 337.448 4.224 20 30 EIEDRO N#CCOc1ccc(CN2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC000859909192 1054746773 /nfs/dbraw/zinc/74/67/73/1054746773.db2.gz KCZPZGNMISOSOO-UHFFFAOYSA-N 1 0 346.352 4.166 20 30 EIEDRO CCN(CC[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1C ZINC000776153234 1054750342 /nfs/dbraw/zinc/75/03/42/1054750342.db2.gz AAOSVHARVFEYGI-GOSISDBHSA-N 1 0 337.467 4.075 20 30 EIEDRO C[C@H]([NH2+]CCCSc1ccccc1)c1ccc(OCC#N)cc1 ZINC000776154055 1054754724 /nfs/dbraw/zinc/75/47/24/1054754724.db2.gz MVNUJKUAGGTBBG-INIZCTEOSA-N 1 0 326.465 4.422 20 30 EIEDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1(C)C ZINC000776162141 1054772912 /nfs/dbraw/zinc/77/29/12/1054772912.db2.gz BZJHKYJWGUZQJC-KFKAGJAMSA-N 1 0 330.472 4.223 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C12CCCCC2 ZINC000776162048 1054773818 /nfs/dbraw/zinc/77/38/18/1054773818.db2.gz BVKGTTFPVGVTNL-PWIZWCRZSA-N 1 0 342.483 4.367 20 30 EIEDRO C#CCCCC[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC001201408481 1054779301 /nfs/dbraw/zinc/77/93/01/1054779301.db2.gz ULKJBXWZCUSOAE-UHFFFAOYSA-N 1 0 334.179 4.361 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1(CC)CC ZINC000776162874 1054787275 /nfs/dbraw/zinc/78/72/75/1054787275.db2.gz NDHIGDHWFHWAMD-ZYSHUDEJSA-N 1 0 330.472 4.223 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H](O)c1c(F)cccc1Cl ZINC000776167809 1054798463 /nfs/dbraw/zinc/79/84/63/1054798463.db2.gz HMQOYJWEOHEISH-IUUKEHGRSA-N 1 0 332.806 4.123 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000776170915 1054800829 /nfs/dbraw/zinc/80/08/29/1054800829.db2.gz QWHCMPWMCPDKHL-OAVHHTNSSA-N 1 0 332.806 4.123 20 30 EIEDRO CC(C)(C)C[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001201440597 1054808845 /nfs/dbraw/zinc/80/88/45/1054808845.db2.gz WALJIXQYFKXFIR-UHFFFAOYSA-N 1 0 335.289 4.352 20 30 EIEDRO COc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C#N ZINC001201475536 1054828597 /nfs/dbraw/zinc/82/85/97/1054828597.db2.gz VPKPQZAHXMBJDC-RTWAWAEBSA-N 1 0 345.446 4.300 20 30 EIEDRO C#CCOc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001201478166 1054830964 /nfs/dbraw/zinc/83/09/64/1054830964.db2.gz ZCNQYRPMLAXAGR-YADHBBJMSA-N 1 0 344.458 4.431 20 30 EIEDRO CCCCCCC[N@@H+]1CCO[C@H]2[C@H](OCc3cccc(C)n3)CC[C@@H]21 ZINC001201762463 1054900763 /nfs/dbraw/zinc/90/07/63/1054900763.db2.gz MAIKZKNKPUKCLA-PWRODBHTSA-N 1 0 346.515 4.109 20 30 EIEDRO CCCCCCC[NH+]1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001201797738 1054908632 /nfs/dbraw/zinc/90/86/32/1054908632.db2.gz DTMYAPBMFUJCHI-UHFFFAOYSA-N 1 0 330.472 4.380 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@@]2(CCN(Cc3cccc(C)c3)C2=O)C1 ZINC001201776680 1054915842 /nfs/dbraw/zinc/91/58/42/1054915842.db2.gz HWKNULZLXZAAJM-JOCHJYFZSA-N 1 0 342.527 4.390 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001201825730 1054925213 /nfs/dbraw/zinc/92/52/13/1054925213.db2.gz DZEORESBECUJOK-UHFFFAOYSA-N 1 0 342.527 4.302 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 ZINC001201839380 1054931575 /nfs/dbraw/zinc/93/15/75/1054931575.db2.gz MLWKVGQHIOGCLA-KZNAEPCWSA-N 1 0 335.492 4.423 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001201839682 1054932229 /nfs/dbraw/zinc/93/22/29/1054932229.db2.gz GZSXWYZDXOGDBT-OAHLLOKOSA-N 1 0 328.298 4.253 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000876600956 1054934382 /nfs/dbraw/zinc/93/43/82/1054934382.db2.gz WETOAQCQLXQGBR-ZBFHGGJFSA-N 1 0 348.899 4.308 20 30 EIEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CC[C@H](C)CCC=C(C)C)C2)C1=O ZINC001201977664 1054954949 /nfs/dbraw/zinc/95/49/49/1054954949.db2.gz VRWDTBLMPTYFIB-TZIWHRDSSA-N 1 0 332.532 4.260 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NCc2cc(C#N)cnc2Cl)c1 ZINC000876822937 1054965602 /nfs/dbraw/zinc/96/56/02/1054965602.db2.gz RVQZWLFDXQLVRZ-UHFFFAOYSA-N 1 0 328.847 4.061 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1cc(C#N)cnc1Cl ZINC000876870109 1054976826 /nfs/dbraw/zinc/97/68/26/1054976826.db2.gz KBAHOJGKYIAIMN-UHFFFAOYSA-N 1 0 340.858 4.123 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000876940033 1054985603 /nfs/dbraw/zinc/98/56/03/1054985603.db2.gz OOISSKXFDAXLSJ-IRLDBZIGSA-N 1 0 331.463 4.016 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877008853 1055000282 /nfs/dbraw/zinc/00/02/82/1055000282.db2.gz ASRUERXNSLWNAF-UHFFFAOYSA-N 1 0 335.904 4.080 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000877080310 1055013496 /nfs/dbraw/zinc/01/34/96/1055013496.db2.gz AZDKZSGZLWCPDQ-GWCFXTLKSA-N 1 0 331.769 4.065 20 30 EIEDRO N#CC1CCC([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877526385 1055070270 /nfs/dbraw/zinc/07/02/70/1055070270.db2.gz BHEBAOARYMSQFS-TZDAIYRESA-N 1 0 327.255 4.089 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000862528581 1055077172 /nfs/dbraw/zinc/07/71/72/1055077172.db2.gz ATACOLXAKBYSOA-JJJJLYANSA-N 1 0 332.447 4.213 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2CC(C)(c3ccccc3)C2)cc1OC ZINC001202203025 1055083479 /nfs/dbraw/zinc/08/34/79/1055083479.db2.gz IWSKOZVOGSTFTC-UHFFFAOYSA-N 1 0 337.463 4.470 20 30 EIEDRO COc1ccc([C@@H]2C[C@H]([NH2+]C3(c4ccc(C#N)cc4)CC3)CCO2)cc1 ZINC001168599492 1055098284 /nfs/dbraw/zinc/09/82/84/1055098284.db2.gz HCJFUARTSSNWHX-CTNGQTDRSA-N 1 0 348.446 4.066 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000877657314 1055101460 /nfs/dbraw/zinc/10/14/60/1055101460.db2.gz IQEWFHCLLFJBRF-CQSZACIVSA-N 1 0 347.409 4.225 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC001202259316 1055101616 /nfs/dbraw/zinc/10/16/16/1055101616.db2.gz PWBFQMLBWXVELW-PXNSSMCTSA-N 1 0 337.442 4.189 20 30 EIEDRO C=CCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC001202380681 1055157898 /nfs/dbraw/zinc/15/78/98/1055157898.db2.gz GMGOFPITSMVUBO-UHFFFAOYSA-N 1 0 340.370 4.422 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878000420 1055171193 /nfs/dbraw/zinc/17/11/93/1055171193.db2.gz CEXWYMVFZWVSSM-HSZRJFAPSA-N 1 0 346.474 4.158 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000878044466 1055178494 /nfs/dbraw/zinc/17/84/94/1055178494.db2.gz PFISORDNKOJTSL-GCJKJVERSA-N 1 0 334.463 4.163 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)C[C@H](C)c1ccccc1)c1ccccc1 ZINC000878044467 1055179549 /nfs/dbraw/zinc/17/95/49/1055179549.db2.gz PFISORDNKOJTSL-PGRDOPGGSA-N 1 0 334.463 4.163 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(SC(F)F)cc2)cc1 ZINC001202466232 1055181355 /nfs/dbraw/zinc/18/13/55/1055181355.db2.gz KWMRSFFIQLNQDX-UHFFFAOYSA-N 1 0 333.403 4.303 20 30 EIEDRO CCS[C@@H]1CCCC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098683 1055187836 /nfs/dbraw/zinc/18/78/36/1055187836.db2.gz ZVINPORAKGYRIH-UXHICEINSA-N 1 0 344.524 4.035 20 30 EIEDRO CCS[C@H]1CCCC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098684 1055187884 /nfs/dbraw/zinc/18/78/84/1055187884.db2.gz ZVINPORAKGYRIH-VQTJNVASSA-N 1 0 344.524 4.035 20 30 EIEDRO CCS[C@H]1CCCC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098680 1055188045 /nfs/dbraw/zinc/18/80/45/1055188045.db2.gz ZVINPORAKGYRIH-PMACEKPBSA-N 1 0 344.524 4.035 20 30 EIEDRO CCCCCCCC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000126964142 1055207572 /nfs/dbraw/zinc/20/75/72/1055207572.db2.gz YUSYQPXHHDSYOY-UHFFFAOYSA-N 1 0 346.515 4.190 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000112515241 1055232691 /nfs/dbraw/zinc/23/26/91/1055232691.db2.gz BGYPESRPBYKHOF-JKSUJKDBSA-N 1 0 328.481 4.002 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1ccccc1 ZINC000878368266 1055275474 /nfs/dbraw/zinc/27/54/74/1055275474.db2.gz IMGZOTBLGNDMTI-KRWDZBQOSA-N 1 0 338.480 4.341 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2nnc(-c3cccc(O)c3)o2)CCCC1(C)C ZINC000878515838 1055331937 /nfs/dbraw/zinc/33/19/37/1055331937.db2.gz JBRMIRCTYYUGLR-INIZCTEOSA-N 1 0 327.428 4.009 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC(C)=C(c2ccco2)C1)c1ccccc1 ZINC000878566804 1055345764 /nfs/dbraw/zinc/34/57/64/1055345764.db2.gz PMWVHMIXQBFMDL-QFIPXVFZSA-N 1 0 348.446 4.199 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCc2ccccc2[C@H](C)C1)c1ccccc1 ZINC000878807441 1055402334 /nfs/dbraw/zinc/40/23/34/1055402334.db2.gz BJORPAUXSYZRHX-WZONZLPQSA-N 1 0 346.474 4.089 20 30 EIEDRO C[C@](O)(C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1Cl ZINC000765807507 1055417067 /nfs/dbraw/zinc/41/70/67/1055417067.db2.gz DPVNYQGONJDXKO-PMACEKPBSA-N 1 0 340.854 4.086 20 30 EIEDRO C[C@](O)(C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 ZINC000765820382 1055577916 /nfs/dbraw/zinc/57/79/16/1055577916.db2.gz WWXLCKOSQKXMKU-UXHICEINSA-N 1 0 340.854 4.086 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000054397145 1055594096 /nfs/dbraw/zinc/59/40/96/1055594096.db2.gz UWFLQGZVGCHTSK-KRWDZBQOSA-N 1 0 341.480 4.325 20 30 EIEDRO CC[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(C#N)cc1 ZINC000618562569 1055778371 /nfs/dbraw/zinc/77/83/71/1055778371.db2.gz JJOBSQYREMNMKV-NRFANRHFSA-N 1 0 334.463 4.347 20 30 EIEDRO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273422262 1055806512 /nfs/dbraw/zinc/80/65/12/1055806512.db2.gz KAMJHKHLKNDGPZ-WOJBJXKFSA-N 1 0 342.389 4.189 20 30 EIEDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000542703510 1055850355 /nfs/dbraw/zinc/85/03/55/1055850355.db2.gz UKNLORTWBONMDB-UXHICEINSA-N 1 0 335.407 4.175 20 30 EIEDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000542703512 1055850745 /nfs/dbraw/zinc/85/07/45/1055850745.db2.gz UKNLORTWBONMDB-WOJBJXKFSA-N 1 0 335.407 4.175 20 30 EIEDRO CC(C)C[NH+]1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301344289 1055924149 /nfs/dbraw/zinc/92/41/49/1055924149.db2.gz JWVVSHFSRUUNOA-UHFFFAOYSA-N 1 0 342.874 4.292 20 30 EIEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC1CC[NH+](C(C)(C)C)CC1 ZINC000301340935 1055924699 /nfs/dbraw/zinc/92/46/99/1055924699.db2.gz FOBBCBCMRGNFTH-UHFFFAOYSA-N 1 0 340.446 4.229 20 30 EIEDRO C[C@H](CNc1c(C#N)cnc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000301365490 1055926629 /nfs/dbraw/zinc/92/66/29/1055926629.db2.gz SCLZGQMMGLFUMV-CQSZACIVSA-N 1 0 348.475 4.027 20 30 EIEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000553988194 1055963905 /nfs/dbraw/zinc/96/39/05/1055963905.db2.gz YOGOPEPVIUPIBV-RHSMWYFYSA-N 1 0 338.455 4.255 20 30 EIEDRO C[N@@H+]1CC[C@H](Nc2ccc(Cl)c(C#N)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000301868070 1055995962 /nfs/dbraw/zinc/99/59/62/1055995962.db2.gz IPGOWSKKRPZTDG-YOEHRIQHSA-N 1 0 347.249 4.117 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000302061519 1056012157 /nfs/dbraw/zinc/01/21/57/1056012157.db2.gz RHUWWILXFWBYEY-MSOLQXFVSA-N 1 0 348.494 4.197 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000302087996 1056014529 /nfs/dbraw/zinc/01/45/29/1056014529.db2.gz ZUCAUICHPULNNJ-CVEARBPZSA-N 1 0 331.891 4.302 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000302088229 1056017306 /nfs/dbraw/zinc/01/73/06/1056017306.db2.gz FSJAZJCDTWNHKR-LJQANCHMSA-N 1 0 341.842 4.129 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000302095352 1056017561 /nfs/dbraw/zinc/01/75/61/1056017561.db2.gz IUDLIMWNABZRPR-NRFANRHFSA-N 1 0 333.435 4.010 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1NCc1ccccc1-n1ccnc1 ZINC000302708839 1056064681 /nfs/dbraw/zinc/06/46/81/1056064681.db2.gz YXPGJFGUGREHAX-UHFFFAOYSA-N 1 0 342.324 4.375 20 30 EIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)cc1 ZINC000302733430 1056070886 /nfs/dbraw/zinc/07/08/86/1056070886.db2.gz AFPOXHGVLZNUMT-NRFANRHFSA-N 1 0 336.435 4.173 20 30 EIEDRO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302840023 1056078554 /nfs/dbraw/zinc/07/85/54/1056078554.db2.gz ZVFZHTJZXFPCDF-MSOLQXFVSA-N 1 0 347.796 4.347 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2ccc(C)nc2)cc1 ZINC000765909042 1056169352 /nfs/dbraw/zinc/16/93/52/1056169352.db2.gz RYRCHEBSHFDKPO-INIZCTEOSA-N 1 0 330.859 4.415 20 30 EIEDRO C[C@@H]([NH2+]Cc1cnn(-c2cccc(Cl)c2)c1)c1cccc(C#N)c1 ZINC000360052737 1056178992 /nfs/dbraw/zinc/17/89/92/1056178992.db2.gz BSFGIUIETFYDCH-CQSZACIVSA-N 1 0 336.826 4.248 20 30 EIEDRO C[C@H](CCc1ccsc1)[NH2+]CCSCc1ccccc1C#N ZINC000462790336 1056350388 /nfs/dbraw/zinc/35/03/88/1056350388.db2.gz VAMYKDGALFVNJN-OAHLLOKOSA-N 1 0 330.522 4.464 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC001203447987 1056729199 /nfs/dbraw/zinc/72/91/99/1056729199.db2.gz UTBWCRSIDZHXIX-UXHICEINSA-N 1 0 325.839 4.331 20 30 EIEDRO CN(Cc1cscn1)Cc1cccc(NCc2ccc(C#N)cc2)c1 ZINC000111191411 1056769376 /nfs/dbraw/zinc/76/93/76/1056769376.db2.gz NCJSXUKUTLGGEO-UHFFFAOYSA-N 1 0 348.475 4.259 20 30 EIEDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934374 1056799048 /nfs/dbraw/zinc/79/90/48/1056799048.db2.gz IQGSSIKRLIRQNA-BBWFWOEESA-N 1 0 349.478 4.179 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCc2cccc(C#N)c2)cc1 ZINC000741336264 1058202928 /nfs/dbraw/zinc/20/29/28/1058202928.db2.gz UYHFQHJLBNDEBK-UHFFFAOYSA-N 1 0 336.435 4.147 20 30 EIEDRO COc1ccc(C[NH2+]CC(c2ccccc2)c2ccccc2)cc1C#N ZINC000742366220 1058576779 /nfs/dbraw/zinc/57/67/79/1058576779.db2.gz PEKTZMNTGCGQIZ-UHFFFAOYSA-N 1 0 342.442 4.489 20 30 EIEDRO COc1ccc(C[NH2+]CC(C)(C)c2ccc(Cl)cc2)cc1C#N ZINC000742368002 1058578418 /nfs/dbraw/zinc/57/84/18/1058578418.db2.gz PEPTWDBXLCPNPT-UHFFFAOYSA-N 1 0 328.843 4.288 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cn4ccccc4n3)c2)s1 ZINC000742372023 1058597074 /nfs/dbraw/zinc/59/70/74/1058597074.db2.gz NAANMBXNUGPGDJ-UHFFFAOYSA-N 1 0 344.443 4.224 20 30 EIEDRO CCCCCCCC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000742964095 1058822510 /nfs/dbraw/zinc/82/25/10/1058822510.db2.gz XHLJZPSGEYAULX-IBGZPJMESA-N 1 0 330.516 4.470 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743260817 1058901078 /nfs/dbraw/zinc/90/10/78/1058901078.db2.gz JURPHLPYMRDQSC-IBGZPJMESA-N 1 0 328.843 4.157 20 30 EIEDRO CC(N=Nc1cccc(Cl)c1F)c1cccc(OCC[NH+](C)C)c1 ZINC000743531218 1059037917 /nfs/dbraw/zinc/03/79/17/1059037917.db2.gz KZGPXGQTZVQEJO-UHFFFAOYSA-N 1 0 349.837 4.256 20 30 EIEDRO C=CCOc1cccc(CNC2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000744269512 1059361637 /nfs/dbraw/zinc/36/16/37/1059361637.db2.gz AGGQNAQWKPAOSA-UHFFFAOYSA-N 1 0 342.527 4.386 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1O)CCC2 ZINC000746056099 1059999320 /nfs/dbraw/zinc/99/93/20/1059999320.db2.gz SRXGHTXOYSXHFI-UHFFFAOYSA-N 1 0 334.463 4.411 20 30 EIEDRO CC(C)Oc1cccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000746362641 1060247685 /nfs/dbraw/zinc/24/76/85/1060247685.db2.gz YMKADNMMHCVVHW-UHFFFAOYSA-N 1 0 349.478 4.104 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000766598889 1060649595 /nfs/dbraw/zinc/64/95/95/1060649595.db2.gz HMXSVJWGCDKLBT-WQANXHIZSA-N 1 0 335.875 4.426 20 30 EIEDRO C=CCC[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001169175245 1060687534 /nfs/dbraw/zinc/68/75/34/1060687534.db2.gz BWHJXPXJHUCJBD-INIZCTEOSA-N 1 0 327.390 4.391 20 30 EIEDRO C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001169177552 1060687669 /nfs/dbraw/zinc/68/76/69/1060687669.db2.gz LTKNQPNOXSPBJN-HNNXBMFYSA-N 1 0 329.403 4.177 20 30 EIEDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3cccc(OCCCC#N)c3)c21 ZINC000103172998 1060774074 /nfs/dbraw/zinc/77/40/74/1060774074.db2.gz AWTXSNPEZAKKRN-UHFFFAOYSA-N 1 0 347.462 4.491 20 30 EIEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001169364729 1060781057 /nfs/dbraw/zinc/78/10/57/1060781057.db2.gz FFOPBEBCXQSFDL-AYBZRNKSSA-N 1 0 327.472 4.080 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1c(F)c(F)c(C#N)c(F)c1F ZINC001169690987 1060902728 /nfs/dbraw/zinc/90/27/28/1060902728.db2.gz OJFWSYHWWQWVNN-GFCCVEGCSA-N 1 0 349.331 4.355 20 30 EIEDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC001169853697 1061001618 /nfs/dbraw/zinc/00/16/18/1061001618.db2.gz HHCGKDCDMYJKIU-YLJYHZDGSA-N 1 0 347.462 4.073 20 30 EIEDRO C=CCC1(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CCCC1 ZINC000449877478 1032093431 /nfs/dbraw/zinc/09/34/31/1032093431.db2.gz QTDAKGJASRCZPJ-GOSISDBHSA-N 1 0 340.511 4.465 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1OCCCC#N ZINC000237150511 1032225053 /nfs/dbraw/zinc/22/50/53/1032225053.db2.gz JIWNTBWHPZGELY-XYJFISCASA-N 1 0 330.472 4.292 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000237501570 1032230414 /nfs/dbraw/zinc/23/04/14/1032230414.db2.gz AHJLZTCDHNFIGR-JTSKRJEESA-N 1 0 343.430 4.252 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000475701959 1032299360 /nfs/dbraw/zinc/29/93/60/1032299360.db2.gz NGBDSEQMIQDBFM-UONOGXRCSA-N 1 0 332.419 4.036 20 30 EIEDRO CC[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C(C)C ZINC000532925282 1032391231 /nfs/dbraw/zinc/39/12/31/1032391231.db2.gz SZSHLWMLVWFWSN-UHFFFAOYSA-N 1 0 338.451 4.376 20 30 EIEDRO Cn1cc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)cc1C#N ZINC000190810984 1032403952 /nfs/dbraw/zinc/40/39/52/1032403952.db2.gz RHUMAXHSCIIRPK-QFIPXVFZSA-N 1 0 329.447 4.360 20 30 EIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000532973257 1032428989 /nfs/dbraw/zinc/42/89/89/1032428989.db2.gz RCQWJUPBPRLXII-SFHVURJKSA-N 1 0 327.472 4.178 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000532987206 1032429004 /nfs/dbraw/zinc/42/90/04/1032429004.db2.gz ZREIOLRNIJASLB-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)cc1 ZINC000450352161 1032448551 /nfs/dbraw/zinc/44/85/51/1032448551.db2.gz BBSUBXXVFMEBBL-INIZCTEOSA-N 1 0 334.410 4.227 20 30 EIEDRO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1)CCC2 ZINC000245749888 1032460003 /nfs/dbraw/zinc/46/00/03/1032460003.db2.gz NOSRDWFKAONKPL-ACJLOTCBSA-N 1 0 341.480 4.252 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000533288561 1032600448 /nfs/dbraw/zinc/60/04/48/1032600448.db2.gz OPRQJBMBLRPQRY-DLBZAZTESA-N 1 0 334.529 4.478 20 30 EIEDRO COc1ccccc1C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C ZINC000533309871 1032618108 /nfs/dbraw/zinc/61/81/08/1032618108.db2.gz VSACSDWOGZRJNU-LJQANCHMSA-N 1 0 326.415 4.063 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](OC)c1ccc(Cl)cc1 ZINC000512411051 1032708065 /nfs/dbraw/zinc/70/80/65/1032708065.db2.gz WSUGTBATCRPUJF-IBGZPJMESA-N 1 0 349.858 4.191 20 30 EIEDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000432775345 1032768423 /nfs/dbraw/zinc/76/84/23/1032768423.db2.gz UMRCLIDEPXPWJA-HNNXBMFYSA-N 1 0 347.418 4.326 20 30 EIEDRO CC1CCC(OC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000533463250 1032781204 /nfs/dbraw/zinc/78/12/04/1032781204.db2.gz SZLQWAVACZFIER-UHFFFAOYSA-N 1 0 329.459 4.237 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000577580167 1018861552 /nfs/dbraw/zinc/86/15/52/1018861552.db2.gz LXLRCTMUXSQVFZ-BVSLBCMMSA-N 1 0 347.462 4.231 20 30 EIEDRO C=CCC(CC=C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510074325 1019070627 /nfs/dbraw/zinc/07/06/27/1019070627.db2.gz UWWQJXVIGUSOER-ICSRJNTNSA-N 1 0 340.511 4.172 20 30 EIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC001167070771 1019409220 /nfs/dbraw/zinc/40/92/20/1019409220.db2.gz IXFMSQDLGGVKJG-NRFANRHFSA-N 1 0 334.463 4.424 20 30 EIEDRO COc1ccc2cc(C[N@H+](C)CCOc3ccc(C#N)cc3)ccc2c1 ZINC000015370349 1032837578 /nfs/dbraw/zinc/83/75/78/1032837578.db2.gz IDLRYECGWHCXKO-UHFFFAOYSA-N 1 0 346.430 4.231 20 30 EIEDRO CC[NH+](CC)Cc1ccc(CNc2snc(Cl)c2C#N)cc1 ZINC000051453491 1032840933 /nfs/dbraw/zinc/84/09/33/1032840933.db2.gz SAIQIBSMYYRZTM-UHFFFAOYSA-N 1 0 334.876 4.122 20 30 EIEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000274807090 1019680785 /nfs/dbraw/zinc/68/07/85/1019680785.db2.gz SEXKXDSUOYQVRV-KGLIPLIRSA-N 1 0 333.501 4.186 20 30 EIEDRO COc1ccccc1/C=C/C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535840939 1019706317 /nfs/dbraw/zinc/70/63/17/1019706317.db2.gz NCRBKWXODRCBBE-GQCTYLIASA-N 1 0 330.431 4.369 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182853052 1019736463 /nfs/dbraw/zinc/73/64/63/1019736463.db2.gz VZFLAUAVHNOAGJ-MSOLQXFVSA-N 1 0 335.536 4.027 20 30 EIEDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)cc1OCCCC#N ZINC000237183403 1032850628 /nfs/dbraw/zinc/85/06/28/1032850628.db2.gz BSZLQSVKTUMXGH-WMZOPIPTSA-N 1 0 330.472 4.294 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000467983000 1019767441 /nfs/dbraw/zinc/76/74/41/1019767441.db2.gz KKIRLGPHIFJGAJ-VXKWHMMOSA-N 1 0 340.511 4.103 20 30 EIEDRO N#Cc1ccc(CC[NH+]2CCC(c3noc4ccc(F)cc43)CC2)cc1 ZINC001208926035 1019849177 /nfs/dbraw/zinc/84/91/77/1019849177.db2.gz FWRUYZRDFRWBGQ-UHFFFAOYSA-N 1 0 349.409 4.261 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCO[C@@H](C)c2ccccc2)cc1 ZINC000237568275 1032872116 /nfs/dbraw/zinc/87/21/16/1032872116.db2.gz ABUSNIFONZEMPO-MSOLQXFVSA-N 1 0 338.451 4.235 20 30 EIEDRO C=CCCC[NH+]1CCC(C(=O)c2ccc(Br)cc2)CC1 ZINC001209160425 1020067468 /nfs/dbraw/zinc/06/74/68/1020067468.db2.gz ZAWALPKZACERKN-UHFFFAOYSA-N 1 0 336.273 4.310 20 30 EIEDRO C=CCCCCCCCC[NH+]1C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001209443921 1020354337 /nfs/dbraw/zinc/35/43/37/1020354337.db2.gz IFOWFFXITKWPBX-RTBURBONSA-N 1 0 344.499 4.200 20 30 EIEDRO CCCCCCCCC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000155250231 1020397808 /nfs/dbraw/zinc/39/78/08/1020397808.db2.gz OXMQBZVDXGYQOL-GOSISDBHSA-N 1 0 345.531 4.474 20 30 EIEDRO C=CCC1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCC1 ZINC001125366399 1020857703 /nfs/dbraw/zinc/85/77/03/1020857703.db2.gz DSGRWAKBQUXSFM-UHFFFAOYSA-N 1 0 326.484 4.400 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(OC)c2OC(C)C)cc1 ZINC000512501039 1032938409 /nfs/dbraw/zinc/93/84/09/1032938409.db2.gz CJGMRKCSMRYSAF-UHFFFAOYSA-N 1 0 341.451 4.337 20 30 EIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176979497 1020943086 /nfs/dbraw/zinc/94/30/86/1020943086.db2.gz GHOFCFKNSZMCJS-APWZRJJASA-N 1 0 326.465 4.186 20 30 EIEDRO CC(C)C[C@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001167298286 1020954411 /nfs/dbraw/zinc/95/44/11/1020954411.db2.gz KGGRPTYGMDOAPJ-MRXNPFEDSA-N 1 0 325.374 4.447 20 30 EIEDRO N#CC1(CCC[N@@H+]2CCC[C@@H]2/C=C/c2cccs2)CCOCC1 ZINC000375622559 1020998353 /nfs/dbraw/zinc/99/83/53/1020998353.db2.gz BMCUAMZDBBDCPY-DKRLNXSXSA-N 1 0 330.497 4.326 20 30 EIEDRO CC(C)(C)C(=O)N1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000340428880 1021010887 /nfs/dbraw/zinc/01/08/87/1021010887.db2.gz BLBOTQACVWSXCO-LJQANCHMSA-N 1 0 341.499 4.048 20 30 EIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000340445515 1021040783 /nfs/dbraw/zinc/04/07/83/1021040783.db2.gz DZARQSAYNQYYOW-LAUBAEHRSA-N 1 0 345.450 4.353 20 30 EIEDRO N#CCCC[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000340449737 1021045911 /nfs/dbraw/zinc/04/59/11/1021045911.db2.gz WPAFJIQGQTZTBB-HRCADAONSA-N 1 0 326.362 4.121 20 30 EIEDRO N#Cc1c(Cl)cccc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000610303957 1021079818 /nfs/dbraw/zinc/07/98/18/1021079818.db2.gz KJZSXSXIRLFZRV-QGZVFWFLSA-N 1 0 329.831 4.444 20 30 EIEDRO CC(N=Nc1cccc(Cl)c1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000748133520 1021303381 /nfs/dbraw/zinc/30/33/81/1021303381.db2.gz NHYKGWPUBZQYRF-UHFFFAOYSA-N 1 0 349.837 4.256 20 30 EIEDRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610343758 1021336067 /nfs/dbraw/zinc/33/60/67/1021336067.db2.gz RZUVFARIDRABEW-KBPBESRZSA-N 1 0 341.842 4.198 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000610345125 1021341051 /nfs/dbraw/zinc/34/10/51/1021341051.db2.gz SPHYLPYCOFRBRD-MRXNPFEDSA-N 1 0 336.435 4.373 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000610345272 1021341619 /nfs/dbraw/zinc/34/16/19/1021341619.db2.gz ZAJUCGYKSZTOLB-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001266555710 1021366259 /nfs/dbraw/zinc/36/62/59/1021366259.db2.gz RKNCSYGFMKJRDV-SLFFLAALSA-N 1 0 340.511 4.006 20 30 EIEDRO COCC[N@H+](CCCCC(C)(C)C#N)[C@@H]1CCCc2cccnc21 ZINC000376098282 1021442436 /nfs/dbraw/zinc/44/24/36/1021442436.db2.gz PRINMMUMICXJFU-GOSISDBHSA-N 1 0 329.488 4.127 20 30 EIEDRO C[C@H](CNc1ccc(Cl)cc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000511417347 1021661671 /nfs/dbraw/zinc/66/16/71/1021661671.db2.gz WBXNCJKNIWGKDP-GFCCVEGCSA-N 1 0 331.872 4.132 20 30 EIEDRO CC[C@@]1(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)OCCc2ccccc21 ZINC000580060139 1021708547 /nfs/dbraw/zinc/70/85/47/1021708547.db2.gz RPFKUVDQAHJGEE-BTYIYWSLSA-N 1 0 338.426 4.226 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccccc2C)cc1OCCCC#N ZINC000160527483 1021832286 /nfs/dbraw/zinc/83/22/86/1021832286.db2.gz FQDMONZEOFEHTO-UHFFFAOYSA-N 1 0 338.451 4.318 20 30 EIEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000581580049 1021862389 /nfs/dbraw/zinc/86/23/89/1021862389.db2.gz DQIHDOHWGVRROV-IAGOWNOFSA-N 1 0 340.389 4.260 20 30 EIEDRO C#CCCC[NH2+][C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000178058388 1021881936 /nfs/dbraw/zinc/88/19/36/1021881936.db2.gz XMCKAKJQTLTYKS-INIZCTEOSA-N 1 0 326.465 4.199 20 30 EIEDRO CC(C)(C)c1csc(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)n1 ZINC000581973617 1021893238 /nfs/dbraw/zinc/89/32/38/1021893238.db2.gz WLTZUTAEHKQWCX-INIZCTEOSA-N 1 0 325.481 4.132 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000582479366 1021946632 /nfs/dbraw/zinc/94/66/32/1021946632.db2.gz UZUUAKJKNSNLCL-FUHWJXTLSA-N 1 0 330.353 4.298 20 30 EIEDRO CCO[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000582455721 1021954889 /nfs/dbraw/zinc/95/48/89/1021954889.db2.gz ITERUAQGRCQCPH-SFHVURJKSA-N 1 0 348.368 4.444 20 30 EIEDRO C[N@@H+]1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@@H]1c1ccccc1 ZINC000613430900 1022012432 /nfs/dbraw/zinc/01/24/32/1022012432.db2.gz HXOBHTQIGOWVSS-HKUYNNGSSA-N 1 0 334.467 4.108 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(OC)cc1 ZINC000341068972 1022019232 /nfs/dbraw/zinc/01/92/32/1022019232.db2.gz ZPNWAIBEAJERAZ-QGZVFWFLSA-N 1 0 346.377 4.409 20 30 EIEDRO COc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000548096884 1022025188 /nfs/dbraw/zinc/02/51/88/1022025188.db2.gz RTXHMNDNJXFZND-IYBDPMFKSA-N 1 0 336.435 4.129 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000377833420 1022038936 /nfs/dbraw/zinc/03/89/36/1022038936.db2.gz DOQZXTNNPOQXPX-UYAOXDASSA-N 1 0 342.483 4.008 20 30 EIEDRO COC1(C[NH2+]Cc2ccc(C#N)s2)CCC(c2ccccc2)CC1 ZINC000582569262 1022073985 /nfs/dbraw/zinc/07/39/85/1022073985.db2.gz SOEADEDSMONGBU-UHFFFAOYSA-N 1 0 340.492 4.452 20 30 EIEDRO C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(C#N)cc1Cl ZINC000580501951 1022122077 /nfs/dbraw/zinc/12/20/77/1022122077.db2.gz WOWDQZDWDFPTIN-KPZWWZAWSA-N 1 0 346.883 4.412 20 30 EIEDRO Cn1cc(C(=O)NCC[N@H+](C)C2CCCCC2)c(C2CCCCC2)n1 ZINC000328743860 1022146795 /nfs/dbraw/zinc/14/67/95/1022146795.db2.gz KEKFEZCIGGCZTB-UHFFFAOYSA-N 1 0 346.519 4.037 20 30 EIEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000471588648 1022162137 /nfs/dbraw/zinc/16/21/37/1022162137.db2.gz MMMZYKJOGVSACA-INIZCTEOSA-N 1 0 335.513 4.410 20 30 EIEDRO C=CC[C@H]1N(C(=O)Nc2ccccc2C[NH2+]CC)CCCC1(C)C ZINC000415928930 1022249067 /nfs/dbraw/zinc/24/90/67/1022249067.db2.gz GZHVEUNSIVAPQR-GOSISDBHSA-N 1 0 329.488 4.395 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415951804 1022286067 /nfs/dbraw/zinc/28/60/67/1022286067.db2.gz JKSSBHUJVUCSIP-NSHDSACASA-N 1 0 329.366 4.030 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2)C1 ZINC000414246994 1022298580 /nfs/dbraw/zinc/29/85/80/1022298580.db2.gz SUIDNFFBIRCURK-QMTHXVAHSA-N 1 0 327.653 4.274 20 30 EIEDRO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000180221675 1022312068 /nfs/dbraw/zinc/31/20/68/1022312068.db2.gz XQMWTSNDFXJKRS-OAHLLOKOSA-N 1 0 330.435 4.118 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000188899473 1022334101 /nfs/dbraw/zinc/33/41/01/1022334101.db2.gz HQWJKCNSUINZPN-UHFFFAOYSA-N 1 0 334.341 4.482 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000414294780 1022425625 /nfs/dbraw/zinc/42/56/25/1022425625.db2.gz DUXWWYVHWAGIPP-VQIMIIECSA-N 1 0 334.467 4.184 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC ZINC000180207581 1022450751 /nfs/dbraw/zinc/45/07/51/1022450751.db2.gz VNGNJZCFKSSVLF-SFHVURJKSA-N 1 0 342.414 4.114 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(F)cc3OCC#N)CC2)C1 ZINC000180321981 1022469489 /nfs/dbraw/zinc/46/94/89/1022469489.db2.gz FJYGEAARYNUBME-MAUKXSAKSA-N 1 0 345.462 4.183 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000160622228 1022471381 /nfs/dbraw/zinc/47/13/81/1022471381.db2.gz JQYPPMHAZAZVTM-CQSZACIVSA-N 1 0 346.377 4.211 20 30 EIEDRO Cc1nc2c(s1)[C@H]([NH2+]CCSCc1ccccc1C#N)CCC2 ZINC000177822709 1022535752 /nfs/dbraw/zinc/53/57/52/1022535752.db2.gz QKEWAVWXWHRDJD-MRXNPFEDSA-N 1 0 343.521 4.224 20 30 EIEDRO CC(C)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccnc1 ZINC000414325493 1022557566 /nfs/dbraw/zinc/55/75/66/1022557566.db2.gz CXNDOAKBTFVLIS-UHFFFAOYSA-N 1 0 333.479 4.353 20 30 EIEDRO COC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cccc(Cl)c1 ZINC000580885473 1022651449 /nfs/dbraw/zinc/65/14/49/1022651449.db2.gz MULDIVSUYNFYDH-MOPGFXCFSA-N 1 0 326.827 4.176 20 30 EIEDRO C[NH+](C)[C@@H](CC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000416246009 1022657457 /nfs/dbraw/zinc/65/74/57/1022657457.db2.gz ZBYXHOFHDPXRSZ-SFTDATJTSA-N 1 0 349.478 4.231 20 30 EIEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181570327 1022680329 /nfs/dbraw/zinc/68/03/29/1022680329.db2.gz LAGBXOVSDBRSJC-MSOLQXFVSA-N 1 0 338.451 4.324 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000186713651 1022738049 /nfs/dbraw/zinc/73/80/49/1022738049.db2.gz CGVNROBFWHHNHB-CABCVRRESA-N 1 0 348.899 4.368 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000564302124 1022739885 /nfs/dbraw/zinc/73/98/85/1022739885.db2.gz LYVQTGJCCBSMMR-FVKWTLKZSA-N 1 0 333.273 4.356 20 30 EIEDRO Cc1cc(C#N)cc(C)c1CN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001167443160 1022804572 /nfs/dbraw/zinc/80/45/72/1022804572.db2.gz NWZAMWCSLIUKKR-FQEVSTJZSA-N 1 0 347.506 4.272 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC001167447060 1022838959 /nfs/dbraw/zinc/83/89/59/1022838959.db2.gz GZXXHDJQNSTOJL-GOSISDBHSA-N 1 0 330.472 4.236 20 30 EIEDRO CCOc1ccc(CCC2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000581144178 1022854437 /nfs/dbraw/zinc/85/44/37/1022854437.db2.gz FFZJMPRDMUGYQG-PMACEKPBSA-N 1 0 326.484 4.422 20 30 EIEDRO C=CCCC[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000581198792 1022868361 /nfs/dbraw/zinc/86/83/61/1022868361.db2.gz XVRORNJBDGQBMX-XAUMDUMWSA-N 1 0 329.488 4.120 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC000343855483 1022893432 /nfs/dbraw/zinc/89/34/32/1022893432.db2.gz SDXRLXUSNFZYKY-MRXNPFEDSA-N 1 0 334.391 4.388 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181285041 1022916765 /nfs/dbraw/zinc/91/67/65/1022916765.db2.gz LQBJXGKCAABOPD-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO CC[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(C#N)cc1 ZINC000278808049 1023162840 /nfs/dbraw/zinc/16/28/40/1023162840.db2.gz RUFWTNPYXIOVFR-MRXNPFEDSA-N 1 0 338.842 4.339 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000135172296 1023175199 /nfs/dbraw/zinc/17/51/99/1023175199.db2.gz OLAFYXNKHZSTKG-INIZCTEOSA-N 1 0 347.418 4.088 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000584702755 1023210398 /nfs/dbraw/zinc/21/03/98/1023210398.db2.gz LWKCGDPPQYMCBN-HXUWFJFHSA-N 1 0 333.435 4.114 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CS1 ZINC000414498319 1023244336 /nfs/dbraw/zinc/24/43/36/1023244336.db2.gz IDURYCPXXTXSHA-DNVCBOLYSA-N 1 0 338.476 4.121 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000417353671 1023279890 /nfs/dbraw/zinc/27/98/90/1023279890.db2.gz XWSXLCJCYZFLTN-LJQANCHMSA-N 1 0 339.370 4.163 20 30 EIEDRO N#CC[C@H](CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccccc1 ZINC000377088172 1023367461 /nfs/dbraw/zinc/36/74/61/1023367461.db2.gz APSZDTUMYJJSRX-QGZVFWFLSA-N 1 0 345.446 4.191 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000181535015 1023383062 /nfs/dbraw/zinc/38/30/62/1023383062.db2.gz BBKNTMBUPRCJAP-INIZCTEOSA-N 1 0 337.442 4.013 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341221246 1023398962 /nfs/dbraw/zinc/39/89/62/1023398962.db2.gz UIQQPBBFLOZUFA-PXNSSMCTSA-N 1 0 335.451 4.063 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCSC[C@H]2c2cccs2)cc1 ZINC000377249563 1023428058 /nfs/dbraw/zinc/42/80/58/1023428058.db2.gz KUZHAFFIZOWAEJ-YOEHRIQHSA-N 1 0 344.505 4.329 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(C#N)cc1 ZINC000377261010 1023442777 /nfs/dbraw/zinc/44/27/77/1023442777.db2.gz GUSWINVOZXBYMZ-GOSISDBHSA-N 1 0 325.481 4.329 20 30 EIEDRO C=CCC[C@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000417909175 1023450341 /nfs/dbraw/zinc/45/03/41/1023450341.db2.gz IBPDEUBHDGAWOW-JXFKEZNVSA-N 1 0 337.467 4.213 20 30 EIEDRO C[N@H+](CC1CCC(C#N)CC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000930998831 1023461685 /nfs/dbraw/zinc/46/16/85/1023461685.db2.gz REGKBDUAOMNDCA-SEEARECTSA-N 1 0 341.282 4.289 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132725 1023470707 /nfs/dbraw/zinc/47/07/07/1023470707.db2.gz OEWIEAYMBBLSJE-PZJWPPBQSA-N 1 0 338.426 4.297 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCCc4sc(Cl)cc43)n2c1 ZINC000377397243 1023508398 /nfs/dbraw/zinc/50/83/98/1023508398.db2.gz FYKLZYHFUDHLDQ-AWEZNQCLSA-N 1 0 342.855 4.088 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C(C)(C)CC)cc2)CC1 ZINC000510444307 1023509156 /nfs/dbraw/zinc/50/91/56/1023509156.db2.gz ROIBTBQJPPMBGX-UHFFFAOYSA-N 1 0 328.500 4.145 20 30 EIEDRO C=CCc1cc(C[NH2+]CCSc2ccc(C)cc2)cc(OC)c1O ZINC000500129403 1023526030 /nfs/dbraw/zinc/52/60/30/1023526030.db2.gz GRYKHHIAKKAUSI-UHFFFAOYSA-N 1 0 343.492 4.320 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000625702476 1023531888 /nfs/dbraw/zinc/53/18/88/1023531888.db2.gz YQHUHJRWUXWXGA-LLVKDONJSA-N 1 0 338.238 4.441 20 30 EIEDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CC3 ZINC000123139051 1023544837 /nfs/dbraw/zinc/54/48/37/1023544837.db2.gz XLPCQWQICPSJER-WMLDXEAASA-N 1 0 345.446 4.256 20 30 EIEDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000174579594 1023551437 /nfs/dbraw/zinc/55/14/37/1023551437.db2.gz CYRVAJNNWVTHLI-KRWDZBQOSA-N 1 0 345.487 4.172 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000418138318 1023554351 /nfs/dbraw/zinc/55/43/51/1023554351.db2.gz CODKYIPGJZXPMY-GOSISDBHSA-N 1 0 336.826 4.027 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000418146118 1023563347 /nfs/dbraw/zinc/56/33/47/1023563347.db2.gz OUKWFPYQXHSQJX-GOSISDBHSA-N 1 0 346.352 4.450 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000418146411 1023564272 /nfs/dbraw/zinc/56/42/72/1023564272.db2.gz PIATVLLWFYQTDC-QGZVFWFLSA-N 1 0 334.448 4.177 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCCNc1nccc(-c2ccccc2)c1C#N ZINC001167748250 1023564977 /nfs/dbraw/zinc/56/49/77/1023564977.db2.gz FWXZCMHFSOVNHH-KRWDZBQOSA-N 1 0 334.467 4.297 20 30 EIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC2(C3CCOCC3)CC2)cc1 ZINC001167748527 1023572348 /nfs/dbraw/zinc/57/23/48/1023572348.db2.gz KURSLWRGNADABB-FQEVSTJZSA-N 1 0 326.484 4.381 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+][C@@H]2CCSc3c(F)cccc32)O1 ZINC000364287733 1023581282 /nfs/dbraw/zinc/58/12/82/1023581282.db2.gz CBYYHXLLBDTVMD-FIAHSWLMSA-N 1 0 346.471 4.192 20 30 EIEDRO C=CCc1cc(C[NH2+]CCc2cccc(Cl)c2)cc(OC)c1O ZINC000500277535 1023650994 /nfs/dbraw/zinc/65/09/94/1023650994.db2.gz IAYVUONUPHUHPM-UHFFFAOYSA-N 1 0 331.843 4.115 20 30 EIEDRO C=C(C)C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000119661167 1023682359 /nfs/dbraw/zinc/68/23/59/1023682359.db2.gz TVMLDFBFXVAWCW-UHFFFAOYSA-N 1 0 347.256 4.089 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000415578471 1023704166 /nfs/dbraw/zinc/70/41/66/1023704166.db2.gz IQUORKXIYRKTJI-QGZVFWFLSA-N 1 0 329.488 4.048 20 30 EIEDRO C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000644803231 1023735708 /nfs/dbraw/zinc/73/57/08/1023735708.db2.gz KRJRIIYMVGIPLL-HSALFYBXSA-N 1 0 340.511 4.006 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415672906 1023761859 /nfs/dbraw/zinc/76/18/59/1023761859.db2.gz LXXSSGNWHDOIFP-FQEVSTJZSA-N 1 0 337.467 4.407 20 30 EIEDRO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000610543043 1023772304 /nfs/dbraw/zinc/77/23/04/1023772304.db2.gz XXFSUYJOGQIJTK-NUTKFTJISA-N 1 0 345.512 4.076 20 30 EIEDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)CCCCCC#N ZINC000891568395 1023786236 /nfs/dbraw/zinc/78/62/36/1023786236.db2.gz LXRWSKPVRXXPJU-GOSISDBHSA-N 1 0 329.488 4.061 20 30 EIEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1nnc(-c2ccccc2)o1 ZINC000375642398 1023802181 /nfs/dbraw/zinc/80/21/81/1023802181.db2.gz REJJJEKDXJOHFH-APWZRJJASA-N 1 0 331.419 4.022 20 30 EIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167487457 1023830490 /nfs/dbraw/zinc/83/04/90/1023830490.db2.gz MXQRPZUXFSSPKN-NRFANRHFSA-N 1 0 347.462 4.423 20 30 EIEDRO C=CCC(C)(C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000432007655 1023832240 /nfs/dbraw/zinc/83/22/40/1023832240.db2.gz QXPLQSVAUBGAJZ-KRWDZBQOSA-N 1 0 334.891 4.195 20 30 EIEDRO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511713927 1023836247 /nfs/dbraw/zinc/83/62/47/1023836247.db2.gz RBMHKYGVXQHZMN-HXUWFJFHSA-N 1 0 340.511 4.172 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000135332350 1023844773 /nfs/dbraw/zinc/84/47/73/1023844773.db2.gz KELXWWKSDMFFHO-HOTGVXAUSA-N 1 0 338.451 4.105 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000135332367 1023846271 /nfs/dbraw/zinc/84/62/71/1023846271.db2.gz KELXWWKSDMFFHO-CVEARBPZSA-N 1 0 338.451 4.105 20 30 EIEDRO COc1cccc(/C=N\C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1O ZINC000255386216 1023869749 /nfs/dbraw/zinc/86/97/49/1023869749.db2.gz JKYYPODIWUTBIQ-GRVPHDJPSA-N 1 0 338.451 4.045 20 30 EIEDRO CC(C)OCCC[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000047613657 1023990647 /nfs/dbraw/zinc/99/06/47/1023990647.db2.gz LQWOVIGANFBNCQ-UHFFFAOYSA-N 1 0 347.462 4.247 20 30 EIEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000593712336 1024009490 /nfs/dbraw/zinc/00/94/90/1024009490.db2.gz NBAXIBQZXPMYSN-DQPZFDDXSA-N 1 0 346.471 4.083 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000181705924 1024011299 /nfs/dbraw/zinc/01/12/99/1024011299.db2.gz QKYCCDMABOPXBI-KDOFPFPSSA-N 1 0 339.439 4.144 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000651790268 1024024261 /nfs/dbraw/zinc/02/42/61/1024024261.db2.gz POTRMAPGQAGGEF-PMRDFSHISA-N 1 0 330.438 4.126 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000093116361 1024166001 /nfs/dbraw/zinc/16/60/01/1024166001.db2.gz NFKOFLQKCPDOGE-OAQYLSRUSA-N 1 0 337.442 4.343 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000661115352 1024240051 /nfs/dbraw/zinc/24/00/51/1024240051.db2.gz BROWWAQFGHYQHH-DOMZBBRYSA-N 1 0 331.847 4.213 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000651710703 1024241794 /nfs/dbraw/zinc/24/17/94/1024241794.db2.gz LAHBDAOEXKZHSQ-RDJZCZTQSA-N 1 0 327.497 4.472 20 30 EIEDRO Cc1ncc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1-c1ccccc1 ZINC000341696931 1024338533 /nfs/dbraw/zinc/33/85/33/1024338533.db2.gz GGUYUYFIOXKODZ-QFIPXVFZSA-N 1 0 342.446 4.220 20 30 EIEDRO Cc1cc(C[NH+]2CCC(C#N)CC2)cc(C)c1OCc1ccccn1 ZINC000123679396 1024459867 /nfs/dbraw/zinc/45/98/67/1024459867.db2.gz ZPRJCBCWXFHVOB-UHFFFAOYSA-N 1 0 335.451 4.013 20 30 EIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3cc(C#N)ccn3)cc2)C1 ZINC000341720695 1024469501 /nfs/dbraw/zinc/46/95/01/1024469501.db2.gz HWUNNCDJKFMOAM-CALCHBBNSA-N 1 0 334.467 4.043 20 30 EIEDRO C=CCC1([NH2+]CC(=O)N2CCc3sccc3[C@@H]2CC)CCCC1 ZINC000661851279 1024599239 /nfs/dbraw/zinc/59/92/39/1024599239.db2.gz PHXXGIBTYAFSOZ-INIZCTEOSA-N 1 0 332.513 4.062 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341758863 1024616086 /nfs/dbraw/zinc/61/60/86/1024616086.db2.gz DTUVMFIDNVOONG-LIRRHRJNSA-N 1 0 336.435 4.304 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)CCCC1 ZINC000661866649 1024618517 /nfs/dbraw/zinc/61/85/17/1024618517.db2.gz SGIMLWOETXYSFK-UHFFFAOYSA-N 1 0 327.255 4.410 20 30 EIEDRO CCN(Cc1cc(C)c(OCc2ccccn2)c(C)c1)C[C@H](C)C#N ZINC000091982658 1024709572 /nfs/dbraw/zinc/70/95/72/1024709572.db2.gz KMRINRIFUXCETP-MRXNPFEDSA-N 1 0 337.467 4.259 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000247507044 1024782155 /nfs/dbraw/zinc/78/21/55/1024782155.db2.gz YDMMYTAQBZUBCI-QKYXUNIQSA-N 1 0 339.508 4.353 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cn1 ZINC000341833521 1024809262 /nfs/dbraw/zinc/80/92/62/1024809262.db2.gz DWCFXDABDWBLKA-UHFFFAOYSA-N 1 0 333.357 4.383 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000662080255 1024851171 /nfs/dbraw/zinc/85/11/71/1024851171.db2.gz JPWWKXDBYBUBKK-GASCZTMLSA-N 1 0 341.480 4.360 20 30 EIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)c1 ZINC000180883763 1024854932 /nfs/dbraw/zinc/85/49/32/1024854932.db2.gz TYOCDZCACZINTF-UHFFFAOYSA-N 1 0 326.440 4.114 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000662090940 1024856990 /nfs/dbraw/zinc/85/69/90/1024856990.db2.gz UKZYPYAKHPWHNA-FPMFFAJLSA-N 1 0 328.485 4.134 20 30 EIEDRO N#CCc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248851636 1024872402 /nfs/dbraw/zinc/87/24/02/1024872402.db2.gz BIPXFMNUOQYFDZ-ILWGZMRPSA-N 1 0 331.463 4.075 20 30 EIEDRO N#CCCCC[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000599514584 1024884641 /nfs/dbraw/zinc/88/46/41/1024884641.db2.gz GBWIIWAVRIQDBH-UHFFFAOYSA-N 1 0 330.476 4.066 20 30 EIEDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000610812490 1025008111 /nfs/dbraw/zinc/00/81/11/1025008111.db2.gz GNHMATFLZIDAQX-CYBMUJFWSA-N 1 0 348.368 4.410 20 30 EIEDRO Cc1ccc(C[C@H]([NH2+]C2CCN(CC#N)CC2)c2ccc(C)cc2)cc1 ZINC000610813352 1025025516 /nfs/dbraw/zinc/02/55/16/1025025516.db2.gz DBYRQQYZZIWNHL-QHCPKHFHSA-N 1 0 347.506 4.165 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000610814050 1025050098 /nfs/dbraw/zinc/05/00/98/1025050098.db2.gz ZWKVMIVLFONDTC-QGZVFWFLSA-N 1 0 335.451 4.117 20 30 EIEDRO Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ccc1C[NH+](C)C ZINC000458259501 1025074213 /nfs/dbraw/zinc/07/42/13/1025074213.db2.gz GHZCFIGROZJBKI-SFHVURJKSA-N 1 0 335.451 4.083 20 30 EIEDRO C=CC[C@]1(C(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)CCC[NH2+]1 ZINC000662521692 1025226732 /nfs/dbraw/zinc/22/67/32/1025226732.db2.gz NUIZAEWPGIQPND-HTAPYJJXSA-N 1 0 349.478 4.497 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000278870640 1025229031 /nfs/dbraw/zinc/22/90/31/1025229031.db2.gz SPKOFJOKALKMMZ-LJQANCHMSA-N 1 0 328.456 4.219 20 30 EIEDRO C=C(CCc1nc(-c2ccc(C[NH+](C)C)cc2)no1)c1ccccc1 ZINC001211694236 1025229385 /nfs/dbraw/zinc/22/93/85/1025229385.db2.gz IMLFAPFOALFABH-UHFFFAOYSA-N 1 0 333.435 4.444 20 30 EIEDRO C=CCC[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000582011172 1025249989 /nfs/dbraw/zinc/24/99/89/1025249989.db2.gz RURPRQMNPTZEHS-INIZCTEOSA-N 1 0 342.405 4.171 20 30 EIEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1ccc(C#N)s1 ZINC000538400972 1025390996 /nfs/dbraw/zinc/39/09/96/1025390996.db2.gz JQYZBCUFXLQLPC-KRWDZBQOSA-N 1 0 332.444 4.342 20 30 EIEDRO N#Cc1ccccc1OCC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001167818375 1025395290 /nfs/dbraw/zinc/39/52/90/1025395290.db2.gz FQMBFIDFPYYHJQ-UHFFFAOYSA-N 1 0 338.838 4.380 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000511009606 1025458581 /nfs/dbraw/zinc/45/85/81/1025458581.db2.gz HBXOKOSBCJYWPC-XKQJLSEDSA-N 1 0 336.273 4.007 20 30 EIEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000426545942 1025524998 /nfs/dbraw/zinc/52/49/98/1025524998.db2.gz TWMCRTYHRNIASG-IBGZPJMESA-N 1 0 338.451 4.210 20 30 EIEDRO C=C[C@H](CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000152002538 1025535545 /nfs/dbraw/zinc/53/55/45/1025535545.db2.gz FRICNYZDJBMECK-OAQYLSRUSA-N 1 0 348.490 4.259 20 30 EIEDRO C=CCCCC[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000472066595 1025600749 /nfs/dbraw/zinc/60/07/49/1025600749.db2.gz WBASDLOATGQSGH-UHFFFAOYSA-N 1 0 338.451 4.393 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cc1Cl ZINC000467763652 1025735644 /nfs/dbraw/zinc/73/56/44/1025735644.db2.gz JVTIMIBHPVPSEQ-MSOLQXFVSA-N 1 0 345.874 4.375 20 30 EIEDRO Cc1nc(COc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)cs1 ZINC000342281303 1025778007 /nfs/dbraw/zinc/77/80/07/1025778007.db2.gz FUTBMUKKNNEZHB-UHFFFAOYSA-N 1 0 343.496 4.450 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000151835263 1025814541 /nfs/dbraw/zinc/81/45/41/1025814541.db2.gz YNNPGRRJEJLAPR-IRXDYDNUSA-N 1 0 346.434 4.014 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000151835492 1025814549 /nfs/dbraw/zinc/81/45/49/1025814549.db2.gz YNNPGRRJEJLAPR-IAGOWNOFSA-N 1 0 346.434 4.014 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)cc(OC)c1O ZINC000500448744 1025832055 /nfs/dbraw/zinc/83/20/55/1025832055.db2.gz SHCGEZWRWDGUID-CYBMUJFWSA-N 1 0 325.399 4.044 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]CCSCc1ccccc1C#N ZINC000512057179 1025857354 /nfs/dbraw/zinc/85/73/54/1025857354.db2.gz KVDOJSIXCFEFBX-UHFFFAOYSA-N 1 0 338.476 4.146 20 30 EIEDRO COc1ccccc1-c1noc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)n1 ZINC000278950522 1025860136 /nfs/dbraw/zinc/86/01/36/1025860136.db2.gz YUVJYTHAFUDXDX-CQSZACIVSA-N 1 0 342.443 4.116 20 30 EIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000278955763 1025864077 /nfs/dbraw/zinc/86/40/77/1025864077.db2.gz ZCQQUEJMDULDED-HNNXBMFYSA-N 1 0 327.472 4.406 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000472135130 1025921263 /nfs/dbraw/zinc/92/12/63/1025921263.db2.gz VBVBOGOOQWHQPG-KCJUWKMLSA-N 1 0 335.181 4.377 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC000472140236 1025981148 /nfs/dbraw/zinc/98/11/48/1025981148.db2.gz MWBDFTJJXAFOFJ-PVAVHDDUSA-N 1 0 337.492 4.197 20 30 EIEDRO N#Cc1ccc(OCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000071982641 1026027946 /nfs/dbraw/zinc/02/79/46/1026027946.db2.gz NUJQYTLIIAVGGO-QFIPXVFZSA-N 1 0 346.405 4.455 20 30 EIEDRO COc1cc(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)ccc1Cl ZINC000551306959 1026138776 /nfs/dbraw/zinc/13/87/76/1026138776.db2.gz PMBGAQWAKBNCDD-SFHVURJKSA-N 1 0 326.827 4.040 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000472163959 1026162317 /nfs/dbraw/zinc/16/23/17/1026162317.db2.gz RMHZSKGPGASIDC-IBGZPJMESA-N 1 0 343.515 4.039 20 30 EIEDRO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCC#N)cc1 ZINC000344325461 1026245394 /nfs/dbraw/zinc/24/53/94/1026245394.db2.gz MGQPIUOXVCFLTR-UHFFFAOYSA-N 1 0 344.462 4.495 20 30 EIEDRO N#CCCC[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000344362163 1026276992 /nfs/dbraw/zinc/27/69/92/1026276992.db2.gz RQZQJRGRAGGWJM-UHFFFAOYSA-N 1 0 345.786 4.434 20 30 EIEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000557224924 1026345359 /nfs/dbraw/zinc/34/53/59/1026345359.db2.gz MGAXZZIQKCJMMK-CXAGYDPISA-N 1 0 333.863 4.051 20 30 EIEDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)o1 ZINC000344637203 1026507373 /nfs/dbraw/zinc/50/73/73/1026507373.db2.gz WRROVGKLSDZVHF-INIZCTEOSA-N 1 0 326.440 4.382 20 30 EIEDRO C=CCOCCC[NH+]1CCC(C)(c2nc3ccccc3s2)CC1 ZINC000511104591 1026507562 /nfs/dbraw/zinc/50/75/62/1026507562.db2.gz HMLPIJBPLDJNCK-UHFFFAOYSA-N 1 0 330.497 4.243 20 30 EIEDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000395697723 1026521712 /nfs/dbraw/zinc/52/17/12/1026521712.db2.gz JPZAFJWDJUJDJK-QGZVFWFLSA-N 1 0 335.451 4.188 20 30 EIEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000158147778 1026524229 /nfs/dbraw/zinc/52/42/29/1026524229.db2.gz WPLGHCKXAROVOI-SFHVURJKSA-N 1 0 338.455 4.399 20 30 EIEDRO C=CCOc1ccc(CNCc2nnc(C(C)C)s2)cc1Cl ZINC000344690204 1026543294 /nfs/dbraw/zinc/54/32/94/1026543294.db2.gz WILSGRSTWVJXLA-UHFFFAOYSA-N 1 0 337.876 4.170 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000478297450 1026547595 /nfs/dbraw/zinc/54/75/95/1026547595.db2.gz AOHJKDHYZSEEJT-UXHICEINSA-N 1 0 334.467 4.017 20 30 EIEDRO CC[N@H+](CCCCC(C)(C)C#N)CC(=O)Nc1c(C)cccc1C ZINC000277601785 1026638344 /nfs/dbraw/zinc/63/83/44/1026638344.db2.gz FDUOXCSMKJAACO-UHFFFAOYSA-N 1 0 329.488 4.284 20 30 EIEDRO CCC[C@]1([NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)CCOC1 ZINC000512293042 1026654805 /nfs/dbraw/zinc/65/48/05/1026654805.db2.gz JSMYKLILHMJZFX-QFIPXVFZSA-N 1 0 348.490 4.435 20 30 EIEDRO CCC[C@@]1([NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)CCOC1 ZINC000512293041 1026655187 /nfs/dbraw/zinc/65/51/87/1026655187.db2.gz JSMYKLILHMJZFX-JOCHJYFZSA-N 1 0 348.490 4.435 20 30 EIEDRO C=CCOc1c(Br)cc(C[N@H+](C)C2CC2)cc1OCC ZINC000507132051 1026656679 /nfs/dbraw/zinc/65/66/79/1026656679.db2.gz INRZBPFKFYPLMD-UHFFFAOYSA-N 1 0 340.261 4.007 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512294250 1026659498 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C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCC[C@@H](C)C1 ZINC000507654479 1026862894 /nfs/dbraw/zinc/86/28/94/1026862894.db2.gz UJOPDWMARNFMEH-RVEPMOMFSA-N 1 0 339.527 4.101 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277749597 1026867271 /nfs/dbraw/zinc/86/72/71/1026867271.db2.gz IXFZBMZIHNWPAT-SWLSCSKDSA-N 1 0 348.372 4.241 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000657531481 1026977222 /nfs/dbraw/zinc/97/72/22/1026977222.db2.gz ZWFADVGZFPXXNE-HKUYNNGSSA-N 1 0 337.467 4.377 20 30 EIEDRO CC(C)CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCCC1 ZINC000519906219 1027038126 /nfs/dbraw/zinc/03/81/26/1027038126.db2.gz PUXHRBKYUZUIDZ-UHFFFAOYSA-N 1 0 341.499 4.224 20 30 EIEDRO C=CCCOCC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000224759758 1027053796 /nfs/dbraw/zinc/05/37/96/1027053796.db2.gz WDVZPQGLGXAOLO-GFCCVEGCSA-N 1 0 338.245 4.439 20 30 EIEDRO C[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C#N)cc1 ZINC000075802160 1027067335 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C=CCC1([NH2+]Cc2ccc(Cl)c(Br)c2)CCOCC1 ZINC000657633385 1027346620 /nfs/dbraw/zinc/34/66/20/1027346620.db2.gz NGYRIFYJUGRLTE-UHFFFAOYSA-N 1 0 344.680 4.317 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000160968829 1027416359 /nfs/dbraw/zinc/41/63/59/1027416359.db2.gz GZFQSDZLPHRJTN-GOSISDBHSA-N 1 0 325.481 4.265 20 30 EIEDRO C=CC[NH+](CC=C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000514127888 1027433636 /nfs/dbraw/zinc/43/36/36/1027433636.db2.gz ADNZLUSSEROJFG-UHFFFAOYSA-N 1 0 336.435 4.482 20 30 EIEDRO C[N@H+](CCNc1ccc(C#N)cc1C(F)(F)F)Cc1ccccc1 ZINC000523085175 1027483646 /nfs/dbraw/zinc/48/36/46/1027483646.db2.gz MHBSXCDYLXKTCF-UHFFFAOYSA-N 1 0 333.357 4.121 20 30 EIEDRO C[C@@H]1C[C@H](N(C)c2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000523087231 1027486037 /nfs/dbraw/zinc/48/60/37/1027486037.db2.gz VGCVKMKDDZZDDM-SJLPKXTDSA-N 1 0 337.442 4.187 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC[C@]2(C)CC2(F)F)ccc1OC ZINC000657670735 1027489077 /nfs/dbraw/zinc/48/90/77/1027489077.db2.gz HPBZTDHPBWFVRQ-QGZVFWFLSA-N 1 0 325.399 4.175 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C1CCC(C(F)(F)F)CC1 ZINC000474803111 1027522488 /nfs/dbraw/zinc/52/24/88/1027522488.db2.gz XYCPKXZRSFPMPY-IUDNXUCKSA-N 1 0 340.389 4.284 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc(C)ccc2F)cc(OC)c1OC ZINC000237295631 1027547583 /nfs/dbraw/zinc/54/75/83/1027547583.db2.gz IGABRFHBEVEOAE-UHFFFAOYSA-N 1 0 329.415 4.170 20 30 EIEDRO C[N@H+](CC1(c2ccc(Br)cc2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000429692281 1027550441 /nfs/dbraw/zinc/55/04/41/1027550441.db2.gz RWGQOVVWKYUYNT-BBRMVZONSA-N 1 0 333.273 4.105 20 30 EIEDRO C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329197968 1027640118 /nfs/dbraw/zinc/64/01/18/1027640118.db2.gz WLEVJNILKHDOCZ-DOTOQJQBSA-N 1 0 349.519 4.275 20 30 EIEDRO N#CC1(NC(=O)C[N@H+](C2CC2)[C@H]2CCc3ccccc32)CCCCC1 ZINC000329303113 1027713889 /nfs/dbraw/zinc/71/38/89/1027713889.db2.gz XCSGGIAUBPDLTR-IBGZPJMESA-N 1 0 337.467 4.321 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000280800584 1027720604 /nfs/dbraw/zinc/72/06/04/1027720604.db2.gz KPGKZSXVWKAYJA-USBNGQNGSA-N 1 0 329.271 4.207 20 30 EIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000896632048 1027737657 /nfs/dbraw/zinc/73/76/57/1027737657.db2.gz GUXHCEAQIUVMLD-UHFFFAOYSA-N 1 0 339.386 4.144 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329358374 1027747098 /nfs/dbraw/zinc/74/70/98/1027747098.db2.gz XCEGQHINYZSYIC-RVKKMQEKSA-N 1 0 344.503 4.205 20 30 EIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000282011454 1027756318 /nfs/dbraw/zinc/75/63/18/1027756318.db2.gz OMPGWDGXCYWOAR-GOSISDBHSA-N 1 0 344.499 4.049 20 30 EIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)C1 ZINC000328816914 1027810711 /nfs/dbraw/zinc/81/07/11/1027810711.db2.gz GSMAVTOSAOKHCR-CZAAIQMYSA-N 1 0 347.462 4.301 20 30 EIEDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444596586 1027882085 /nfs/dbraw/zinc/88/20/85/1027882085.db2.gz LQJCZZLVSYSTDI-UGKGYDQZSA-N 1 0 348.490 4.122 20 30 EIEDRO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000444652150 1027924727 /nfs/dbraw/zinc/92/47/27/1027924727.db2.gz WRCBGBAXFYXUOV-ZWKOTPCHSA-N 1 0 334.504 4.150 20 30 EIEDRO N#CC(CC[N@@H+]1CCCSCC1)(c1ccccc1)c1ccccc1 ZINC000444657523 1027926030 /nfs/dbraw/zinc/92/60/30/1027926030.db2.gz CYODCCMFOXFSSG-UHFFFAOYSA-N 1 0 336.504 4.325 20 30 EIEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668374 1027950378 /nfs/dbraw/zinc/95/03/78/1027950378.db2.gz USMDUWAZKDZHON-ZBFHGGJFSA-N 1 0 333.501 4.076 20 30 EIEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668371 1027953833 /nfs/dbraw/zinc/95/38/33/1027953833.db2.gz USMDUWAZKDZHON-GOEBONIOSA-N 1 0 333.501 4.076 20 30 EIEDRO C[C@H]1CC[C@@H](C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)O1 ZINC000475026008 1027998083 /nfs/dbraw/zinc/99/80/83/1027998083.db2.gz KBJRDMIOHVEPCV-KKSFZXQISA-N 1 0 338.426 4.267 20 30 EIEDRO Cc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1F ZINC000444745008 1028031397 /nfs/dbraw/zinc/03/13/97/1028031397.db2.gz RTJPBIMPNJBYHP-UHFFFAOYSA-N 1 0 348.425 4.038 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)c2ccc(C)cc2)cc1OC ZINC000523390967 1028060773 /nfs/dbraw/zinc/06/07/73/1028060773.db2.gz OPPIZDRHNULQSR-KRWDZBQOSA-N 1 0 325.452 4.462 20 30 EIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2oc(C3CC3)nc2C)C1 ZINC000329785864 1028123912 /nfs/dbraw/zinc/12/39/12/1028123912.db2.gz QFOXZIKJTFEKAK-CQSZACIVSA-N 1 0 333.476 4.066 20 30 EIEDRO C=C1CC(c2noc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)C1 ZINC000896885522 1028179131 /nfs/dbraw/zinc/17/91/31/1028179131.db2.gz ZKMVUSNHQNGTPU-OAHLLOKOSA-N 1 0 327.403 4.022 20 30 EIEDRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)c(Cl)c1 ZINC000330253439 1028236318 /nfs/dbraw/zinc/23/63/18/1028236318.db2.gz IWJFXQAITCMOHF-YLQAJVPDSA-N 1 0 336.863 4.090 20 30 EIEDRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000330270297 1028243048 /nfs/dbraw/zinc/24/30/48/1028243048.db2.gz TXDZDNDXFJZXAP-POZUXBRTSA-N 1 0 330.472 4.252 20 30 EIEDRO C=CC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000523607609 1028262984 /nfs/dbraw/zinc/26/29/84/1028262984.db2.gz LOUHOLWMWGNFOB-UHFFFAOYSA-N 1 0 337.345 4.153 20 30 EIEDRO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CC=CCC1 ZINC000346322192 1028372225 /nfs/dbraw/zinc/37/22/25/1028372225.db2.gz HUQJONAIWQHISR-SFHVURJKSA-N 1 0 334.467 4.252 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000150887993 1028457089 /nfs/dbraw/zinc/45/70/89/1028457089.db2.gz CLKSEGODHLCZFP-ZDUSSCGKSA-N 1 0 333.501 4.341 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000155654710 1028460897 /nfs/dbraw/zinc/46/08/97/1028460897.db2.gz LHMDLDGWQXSWQI-MSOLQXFVSA-N 1 0 343.515 4.338 20 30 EIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000523938035 1028476718 /nfs/dbraw/zinc/47/67/18/1028476718.db2.gz SYZXPSNGCSMPCP-HNNXBMFYSA-N 1 0 325.412 4.417 20 30 EIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ncc(-c2ccccc2)o1 ZINC000281256669 1028491827 /nfs/dbraw/zinc/49/18/27/1028491827.db2.gz HESALYFRTJWISL-INIZCTEOSA-N 1 0 339.439 4.093 20 30 EIEDRO Cc1ccc([C@H]2CC[N@H+](CCCC3(C#N)CCOCC3)C2)c(C)c1 ZINC000281358279 1028561108 /nfs/dbraw/zinc/56/11/08/1028561108.db2.gz NPGVTLUYYXIRRI-IBGZPJMESA-N 1 0 326.484 4.193 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000346723129 1028609317 /nfs/dbraw/zinc/60/93/17/1028609317.db2.gz SHULVXRMXSAFNW-MRXNPFEDSA-N 1 0 329.488 4.096 20 30 EIEDRO Cn1cc(C[NH+]2CCC(C)(c3cccc(Cl)c3)CC2)cc1C#N ZINC000475629934 1028663246 /nfs/dbraw/zinc/66/32/46/1028663246.db2.gz YOQMWTOCQBPVKS-UHFFFAOYSA-N 1 0 327.859 4.104 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1Cl ZINC000444000955 1028721947 /nfs/dbraw/zinc/72/19/47/1028721947.db2.gz AQBKTGZSARTSKI-UHFFFAOYSA-N 1 0 342.870 4.468 20 30 EIEDRO Cc1cc(CNc2cccc(C[NH+]3CCSCC3)c2)ccc1C#N ZINC000444003463 1028727763 /nfs/dbraw/zinc/72/77/63/1028727763.db2.gz NRDKIDJFULNZBE-UHFFFAOYSA-N 1 0 337.492 4.028 20 30 EIEDRO COc1cc(CNc2ccc(CC[NH+]3CCCCC3)cc2)ccc1C#N ZINC000440805401 1028734208 /nfs/dbraw/zinc/73/42/08/1028734208.db2.gz XQSNFENCQPENLI-UHFFFAOYSA-N 1 0 349.478 4.207 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000444082907 1028850565 /nfs/dbraw/zinc/85/05/65/1028850565.db2.gz XGXCOGOJOVECNJ-OAQYLSRUSA-N 1 0 347.462 4.286 20 30 EIEDRO CCC[N@H+](Cc1cncn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000445797438 1028914380 /nfs/dbraw/zinc/91/43/80/1028914380.db2.gz ADJWWBAXPNGKNE-UHFFFAOYSA-N 1 0 344.462 4.215 20 30 EIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2CCSC2)cc1 ZINC000448108155 1029058495 /nfs/dbraw/zinc/05/84/95/1029058495.db2.gz OMRIAZHTZUTERX-GOSISDBHSA-N 1 0 339.508 4.306 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246586645 1029091451 /nfs/dbraw/zinc/09/14/51/1029091451.db2.gz ZWFFZSIVRWPZMB-IHPCNDPISA-N 1 0 343.515 4.066 20 30 EIEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000444254146 1029114935 /nfs/dbraw/zinc/11/49/35/1029114935.db2.gz VTWUETOWGPQCRO-RDJZCZTQSA-N 1 0 345.512 4.141 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](CCc3ccccc3Cl)CC2)c1 ZINC000524665954 1029157086 /nfs/dbraw/zinc/15/70/86/1029157086.db2.gz JIEZVVKODJFRMP-UHFFFAOYSA-N 1 0 340.854 4.298 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CCCC)cc2)CC1 ZINC000524668796 1029158991 /nfs/dbraw/zinc/15/89/91/1029158991.db2.gz XJGXQBPHXKHGAO-UHFFFAOYSA-N 1 0 329.488 4.191 20 30 EIEDRO COc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1OC(F)F ZINC000130475449 1029188670 /nfs/dbraw/zinc/18/86/70/1029188670.db2.gz CFBWEVAVGDPZGZ-MRXNPFEDSA-N 1 0 346.377 4.431 20 30 EIEDRO COc1cccc(NC(=[NH2+])NC2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000262423383 1029215006 /nfs/dbraw/zinc/21/50/06/1029215006.db2.gz BVPJCCJYFNOLDG-UHFFFAOYSA-N 1 0 347.821 4.103 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000101559232 1029218422 /nfs/dbraw/zinc/21/84/22/1029218422.db2.gz KQCCWDAJGPNYQT-UHFFFAOYSA-N 1 0 331.419 4.278 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000583826865 1029242160 /nfs/dbraw/zinc/24/21/60/1029242160.db2.gz DQHPRWNYZGNYNW-MNEFBYGVSA-N 1 0 332.463 4.212 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000192739065 1029381351 /nfs/dbraw/zinc/38/13/51/1029381351.db2.gz MDEDADCTJWHGDD-GJZGRUSLSA-N 1 0 348.372 4.063 20 30 EIEDRO C=CCCCN(C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000523012703 1029455405 /nfs/dbraw/zinc/45/54/05/1029455405.db2.gz OTUBLAWLWDOARJ-GOSISDBHSA-N 1 0 349.906 4.085 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cccc(Br)n1 ZINC000925185630 1029537080 /nfs/dbraw/zinc/53/70/80/1029537080.db2.gz NOBAKMYFIZFEHU-NWDGAFQWSA-N 1 0 330.229 4.128 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(OCC#N)cc1 ZINC000193021787 1029658453 /nfs/dbraw/zinc/65/84/53/1029658453.db2.gz IDCLREXKVOGTSN-AEGPPILISA-N 1 0 326.362 4.361 20 30 EIEDRO Cc1cc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)ccc1F ZINC000446972975 1029662061 /nfs/dbraw/zinc/66/20/61/1029662061.db2.gz BRCJWYXMWRCRBO-UHFFFAOYSA-N 1 0 326.415 4.449 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000657836676 1029682950 /nfs/dbraw/zinc/68/29/50/1029682950.db2.gz VCLQINALRCEIMA-UZLBHIALSA-N 1 0 344.474 4.155 20 30 EIEDRO CC(C)[N@H+](C)Cc1ccccc1CNc1nc(Cl)c(C#N)s1 ZINC000278720526 1029732792 /nfs/dbraw/zinc/73/27/92/1029732792.db2.gz OUMNCRKULPOHRR-UHFFFAOYSA-N 1 0 334.876 4.120 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000278735346 1029751299 /nfs/dbraw/zinc/75/12/99/1029751299.db2.gz MZKAYDCTFAHEMI-HTAPYJJXSA-N 1 0 348.494 4.220 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000343755071 1029753971 /nfs/dbraw/zinc/75/39/71/1029753971.db2.gz MFDNNVQJEWVHNI-MRXNPFEDSA-N 1 0 330.435 4.098 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000080959055 1029767370 /nfs/dbraw/zinc/76/73/70/1029767370.db2.gz HZJMAAFVMATPNN-HXUWFJFHSA-N 1 0 342.446 4.328 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCC[C@@H]2CCCC[C@H]2O)ccc1OC ZINC000128134775 1029858999 /nfs/dbraw/zinc/85/89/99/1029858999.db2.gz XKVHAUZIVFZVNQ-RBUKOAKNSA-N 1 0 347.499 4.071 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN(c3ccccc3)C1)CC2 ZINC000584439874 1029868477 /nfs/dbraw/zinc/86/84/77/1029868477.db2.gz QBFBIIJLBOVAHA-PGRDOPGGSA-N 1 0 331.463 4.052 20 30 EIEDRO C=CCCC[C@@H](C(=O)N1CCC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC001625951347 1029956207 /nfs/dbraw/zinc/95/62/07/1029956207.db2.gz YHNAIENLWDIBHS-AZUAARDMSA-N 1 0 328.500 4.069 20 30 EIEDRO C=C(CC)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000447324903 1030010219 /nfs/dbraw/zinc/01/02/19/1030010219.db2.gz IQMYVHNVTOTDPM-UHFFFAOYSA-N 1 0 329.362 4.147 20 30 EIEDRO CC[C@H]([NH2+]CCCn1c(C)nc2ccccc21)c1ccc(C#N)cc1 ZINC000447521323 1030118691 /nfs/dbraw/zinc/11/86/91/1030118691.db2.gz NCANISFVMIYAEJ-IBGZPJMESA-N 1 0 332.451 4.347 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441278205 1030121843 /nfs/dbraw/zinc/12/18/43/1030121843.db2.gz RBXVMONFMZWOQN-FCHUYYIVSA-N 1 0 346.474 4.474 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447541719 1030145593 /nfs/dbraw/zinc/14/55/93/1030145593.db2.gz MWFPJJFWCDBJEK-FGZHOGPDSA-N 1 0 333.479 4.264 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447562121 1030171312 /nfs/dbraw/zinc/17/13/12/1030171312.db2.gz KRTHMAVTPMUBMG-HSQYWUDLSA-N 1 0 333.479 4.434 20 30 EIEDRO CC[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccc(C#N)cc1 ZINC000447564520 1030175704 /nfs/dbraw/zinc/17/57/04/1030175704.db2.gz XLEJSDMSFYXZAL-KUHUBIRLSA-N 1 0 336.435 4.131 20 30 EIEDRO CC[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 ZINC000447586365 1030189612 /nfs/dbraw/zinc/18/96/12/1030189612.db2.gz NDHQOZNPZWTBTJ-MRXNPFEDSA-N 1 0 349.356 4.092 20 30 EIEDRO CC[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000447601508 1030221770 /nfs/dbraw/zinc/22/17/70/1030221770.db2.gz PMHDEOGHRMHPKR-QGZVFWFLSA-N 1 0 330.378 4.443 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000185774460 1030221966 /nfs/dbraw/zinc/22/19/66/1030221966.db2.gz OLMGSJNOBQSVRS-INIZCTEOSA-N 1 0 346.540 4.438 20 30 EIEDRO C=CC[N@@H+](C)CCN(CC)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000429718869 1030231947 /nfs/dbraw/zinc/23/19/47/1030231947.db2.gz BFZKARFFTUAZGY-UHFFFAOYSA-N 1 0 347.890 4.243 20 30 EIEDRO N#CCc1ccc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000451140966 1030251280 /nfs/dbraw/zinc/25/12/80/1030251280.db2.gz BTNSPXRDXXKYEJ-UHFFFAOYSA-N 1 0 346.352 4.430 20 30 EIEDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000451140671 1030253804 /nfs/dbraw/zinc/25/38/04/1030253804.db2.gz CFUSYIJTHLCTKD-ZNMIVQPWSA-N 1 0 332.410 4.138 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000447686265 1030274183 /nfs/dbraw/zinc/27/41/83/1030274183.db2.gz POPFXJXEEVXSJD-UWJYYQICSA-N 1 0 348.494 4.150 20 30 EIEDRO C=C(C)[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(F)c(F)c1 ZINC000186446015 1030276005 /nfs/dbraw/zinc/27/60/05/1030276005.db2.gz OGYNKTNWHQDASX-KRWDZBQOSA-N 1 0 349.450 4.297 20 30 EIEDRO C=CC1CC[NH+](Cc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC000447741781 1030317388 /nfs/dbraw/zinc/31/73/88/1030317388.db2.gz NQWHWLKDCMGBAC-UHFFFAOYSA-N 1 0 338.451 4.067 20 30 EIEDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000728595053 1030361608 /nfs/dbraw/zinc/36/16/08/1030361608.db2.gz OAGVZVSDBOPACL-UHFFFAOYSA-N 1 0 335.495 4.412 20 30 EIEDRO CCC(C)(C)c1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000128263290 1030392702 /nfs/dbraw/zinc/39/27/02/1030392702.db2.gz QZSGFAPOQRSRFE-UHFFFAOYSA-N 1 0 332.451 4.183 20 30 EIEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)cc1 ZINC000451304312 1030395799 /nfs/dbraw/zinc/39/57/99/1030395799.db2.gz OFIAPCOQOBMSGR-HOCLYGCPSA-N 1 0 326.362 4.038 20 30 EIEDRO Cc1nc([C@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)cs1 ZINC000189939187 1030521898 /nfs/dbraw/zinc/52/18/98/1030521898.db2.gz QUQXIDJDVLPUOD-SCLBCKFNSA-N 1 0 327.453 4.080 20 30 EIEDRO CC(C)(CO)[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000685578241 1030531324 /nfs/dbraw/zinc/53/13/24/1030531324.db2.gz LGAFLDCBZWPOKS-IBGZPJMESA-N 1 0 327.855 4.041 20 30 EIEDRO CCC(C)(C)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000448122909 1030590046 /nfs/dbraw/zinc/59/00/46/1030590046.db2.gz QMAVRCXBGGRNRA-UHFFFAOYSA-N 1 0 344.503 4.073 20 30 EIEDRO CC[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccs1 ZINC000527350065 1030641382 /nfs/dbraw/zinc/64/13/82/1030641382.db2.gz AQHOBBDSLVPDDA-JCYILVPMSA-N 1 0 341.480 4.446 20 30 EIEDRO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)cc1C ZINC000475672430 1030710600 /nfs/dbraw/zinc/71/06/00/1030710600.db2.gz SUJVDSMLHLZOIC-UHFFFAOYSA-N 1 0 349.478 4.260 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000127559034 1030722424 /nfs/dbraw/zinc/72/24/24/1030722424.db2.gz NJSCSOKQEACKGC-ZIAGYGMSSA-N 1 0 341.842 4.198 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(Br)c1 ZINC000399250266 1030747589 /nfs/dbraw/zinc/74/75/89/1030747589.db2.gz LGMAVHOHKIUHSF-ZDUSSCGKSA-N 1 0 329.241 4.366 20 30 EIEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)ccc3ccccc32)C1 ZINC001142388511 1030778120 /nfs/dbraw/zinc/77/81/20/1030778120.db2.gz YOOQHZFSSAGTFY-SFHVURJKSA-N 1 0 338.451 4.025 20 30 EIEDRO C[C@@](CO)([NH2+]Cc1ccc(CC#N)cc1)c1cc(Cl)cc(Cl)c1 ZINC000451913561 1030781419 /nfs/dbraw/zinc/78/14/19/1030781419.db2.gz QLIFUXATELNERA-SFHVURJKSA-N 1 0 349.261 4.057 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000658061040 1030801833 /nfs/dbraw/zinc/80/18/33/1030801833.db2.gz RWTZIMCLCRDRJT-LESCRADOSA-N 1 0 330.472 4.439 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000658061042 1030802657 /nfs/dbraw/zinc/80/26/57/1030802657.db2.gz RWTZIMCLCRDRJT-YXJHDRRASA-N 1 0 330.472 4.439 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c(Cl)c1 ZINC000452063572 1030826369 /nfs/dbraw/zinc/82/63/69/1030826369.db2.gz XCEBYIWYYBMXCP-KRWDZBQOSA-N 1 0 346.883 4.267 20 30 EIEDRO C=CC[C@@H](C)NC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000531061667 1030846798 /nfs/dbraw/zinc/84/67/98/1030846798.db2.gz PGWUKUDELSVHBO-CJNGLKHVSA-N 1 0 342.405 4.169 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccccc2)c1C ZINC000051428757 1030854893 /nfs/dbraw/zinc/85/48/93/1030854893.db2.gz SISVDVQEJJLRLJ-LJQANCHMSA-N 1 0 349.478 4.243 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCN(C(=O)C2CCCCC2)CC1)c1ccco1 ZINC000368473381 1030878975 /nfs/dbraw/zinc/87/89/75/1030878975.db2.gz GWYAXXHEZGTGGW-IBGZPJMESA-N 1 0 344.499 4.448 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2sccc2C#N)cc1 ZINC000052031705 1030952571 /nfs/dbraw/zinc/95/25/71/1030952571.db2.gz MAPZNKRHUNWGSL-AWEZNQCLSA-N 1 0 339.464 4.246 20 30 EIEDRO CCC(C#N)(CC)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000527972239 1030983308 /nfs/dbraw/zinc/98/33/08/1030983308.db2.gz JUVVJOKLRLHCEQ-QGZVFWFLSA-N 1 0 341.499 4.007 20 30 EIEDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000610788829 1030991447 /nfs/dbraw/zinc/99/14/47/1030991447.db2.gz UIQFEUARDWXUQB-QFIPXVFZSA-N 1 0 347.462 4.142 20 30 EIEDRO C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)C#N ZINC000310043395 1030992164 /nfs/dbraw/zinc/99/21/64/1030992164.db2.gz GAKITVGDYHXVHE-JKSUJKDBSA-N 1 0 337.508 4.084 20 30 EIEDRO COCc1cccc(OCC2(C[N@@H+]3CCC[C@](C)(C#N)C3)CCC2)c1 ZINC000612161522 1031074174 /nfs/dbraw/zinc/07/41/74/1031074174.db2.gz FKNKYNHNDHFZMG-HXUWFJFHSA-N 1 0 342.483 4.008 20 30 EIEDRO CC[N@H+](Cc1ccccc1OCCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464008 1031078910 /nfs/dbraw/zinc/07/89/10/1031078910.db2.gz UXDHFMDAZZKQFO-KRWDZBQOSA-N 1 0 338.451 4.167 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000179787265 1031291950 /nfs/dbraw/zinc/29/19/50/1031291950.db2.gz JAEPWVRMMHVNDE-MRXNPFEDSA-N 1 0 336.410 4.406 20 30 EIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(C#N)cc1F ZINC000532567922 1031301404 /nfs/dbraw/zinc/30/14/04/1031301404.db2.gz MWYHKUVCMOLTSH-GOSISDBHSA-N 1 0 347.821 4.083 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000532569670 1031304676 /nfs/dbraw/zinc/30/46/76/1031304676.db2.gz UUUPCMKPMIYRFA-OAQYLSRUSA-N 1 0 338.426 4.271 20 30 EIEDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000364688225 1031375024 /nfs/dbraw/zinc/37/50/24/1031375024.db2.gz ASCXFUFJBAKIAM-MRXNPFEDSA-N 1 0 330.435 4.118 20 30 EIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC1CCC(C)(C#N)CC1 ZINC000449054655 1031409172 /nfs/dbraw/zinc/40/91/72/1031409172.db2.gz QJNDSJKVKUATLC-UHFFFAOYSA-N 1 0 343.540 4.428 20 30 EIEDRO COc1ccccc1-c1noc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)n1 ZINC000364790820 1031409374 /nfs/dbraw/zinc/40/93/74/1031409374.db2.gz NRPNOMPCMCIGIO-ZIAGYGMSSA-N 1 0 348.406 4.029 20 30 EIEDRO C=CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2C)CC1)c1ccco1 ZINC000375887184 1031434949 /nfs/dbraw/zinc/43/49/49/1031434949.db2.gz IHLRNEJVNBFJEB-GOSISDBHSA-N 1 0 342.439 4.083 20 30 EIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449081505 1031435327 /nfs/dbraw/zinc/43/53/27/1031435327.db2.gz FVXIAECBQSCDCD-NVPAJSRCSA-N 1 0 335.289 4.442 20 30 EIEDRO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531715197 1031500791 /nfs/dbraw/zinc/50/07/91/1031500791.db2.gz XQQJWBOOMPDDHQ-HOCLYGCPSA-N 1 0 343.471 4.387 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000449162961 1031503818 /nfs/dbraw/zinc/50/38/18/1031503818.db2.gz KWQURSSEFDHGIB-GOSISDBHSA-N 1 0 328.500 4.263 20 30 EIEDRO CC(C)Oc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 ZINC000262624660 1031533666 /nfs/dbraw/zinc/53/36/66/1031533666.db2.gz BAZHTDJTJKSTMO-RZDIXWSQSA-N 1 0 341.430 4.286 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CCC)c2cccc(Cl)c2)CC1 ZINC000528449707 1031539896 /nfs/dbraw/zinc/53/98/96/1031539896.db2.gz PPCMYVSQKNBKKE-IBGZPJMESA-N 1 0 348.918 4.380 20 30 EIEDRO C[C@H](C#N)CN(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000343824192 1031540089 /nfs/dbraw/zinc/54/00/89/1031540089.db2.gz BIOKVQJSMQUNOD-OAHLLOKOSA-N 1 0 336.464 4.192 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccc(C#N)cc1 ZINC000365200179 1031553956 /nfs/dbraw/zinc/55/39/56/1031553956.db2.gz VXPMBYBMGPRDFK-FQEVSTJZSA-N 1 0 339.508 4.325 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)cc1OC ZINC000449376683 1031672602 /nfs/dbraw/zinc/67/26/02/1031672602.db2.gz MKZKEHBZBBNCJM-HNNXBMFYSA-N 1 0 325.399 4.175 20 30 EIEDRO CC(F)(F)CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000449353533 1031673621 /nfs/dbraw/zinc/67/36/21/1031673621.db2.gz CQHIMGHTIBQAQF-UHFFFAOYSA-N 1 0 330.378 4.272 20 30 EIEDRO N#Cc1c(F)ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1Cl ZINC000365451101 1031677583 /nfs/dbraw/zinc/67/75/83/1031677583.db2.gz DXOMRKYAKGBXKA-BEFAXECRSA-N 1 0 344.817 4.218 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)c(OC)c1 ZINC000528673334 1031738737 /nfs/dbraw/zinc/73/87/37/1031738737.db2.gz QLSWXKWQFNUKDD-HNNXBMFYSA-N 1 0 338.451 4.356 20 30 EIEDRO CS[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000449445222 1031740164 /nfs/dbraw/zinc/74/01/64/1031740164.db2.gz HVPQWSNLLKBXLN-HXUWFJFHSA-N 1 0 338.476 4.075 20 30 EIEDRO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446834 1031742367 /nfs/dbraw/zinc/74/23/67/1031742367.db2.gz UOQOJMFSBPGFLT-AVGNSLFASA-N 1 0 327.255 4.433 20 30 EIEDRO C[C@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000453296454 1031815291 /nfs/dbraw/zinc/81/52/91/1031815291.db2.gz YSSUXCULQKNOAA-SCLBCKFNSA-N 1 0 348.368 4.351 20 30 EIEDRO C[C@@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000453296453 1031815473 /nfs/dbraw/zinc/81/54/73/1031815473.db2.gz YSSUXCULQKNOAA-FZKQIMNGSA-N 1 0 348.368 4.351 20 30 EIEDRO C[C@@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000453274169 1031820964 /nfs/dbraw/zinc/82/09/64/1031820964.db2.gz CPMQLHRPSUCDNU-FZKQIMNGSA-N 1 0 348.368 4.351 20 30 EIEDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000453313070 1031838739 /nfs/dbraw/zinc/83/87/39/1031838739.db2.gz DENOVFWLMACYEZ-KBXCAEBGSA-N 1 0 328.843 4.292 20 30 EIEDRO C=C(C)CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000453321985 1031849102 /nfs/dbraw/zinc/84/91/02/1031849102.db2.gz QCBWURODVZCNBF-KRWDZBQOSA-N 1 0 338.289 4.473 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(OCc3noc(C)n3)cc2)CCCCC1 ZINC000449576015 1031855720 /nfs/dbraw/zinc/85/57/20/1031855720.db2.gz PDQBEYCMIKYLRA-UHFFFAOYSA-N 1 0 341.455 4.326 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000453338728 1031862948 /nfs/dbraw/zinc/86/29/48/1031862948.db2.gz CPHUEPHEXJYCBR-LPHOPBHVSA-N 1 0 325.452 4.340 20 30 EIEDRO C=CCC1(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCCC1 ZINC000453338817 1031866365 /nfs/dbraw/zinc/86/63/65/1031866365.db2.gz AYMQWZHHVBSQGO-CQSZACIVSA-N 1 0 339.476 4.016 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000453352037 1031880581 /nfs/dbraw/zinc/88/05/81/1031880581.db2.gz KOSIFZWTASFQCG-XJKSGUPXSA-N 1 0 346.471 4.243 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C2CC2)cn1 ZINC000528851758 1031891985 /nfs/dbraw/zinc/89/19/85/1031891985.db2.gz YBMZGRDGZCXFJP-FQEVSTJZSA-N 1 0 335.451 4.132 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)ccc1SC ZINC000453363818 1031907275 /nfs/dbraw/zinc/90/72/75/1031907275.db2.gz CATMEIPMBFOPCU-LBPRGKRZSA-N 1 0 330.428 4.279 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)C1CCCC1 ZINC000449669385 1031918796 /nfs/dbraw/zinc/91/87/96/1031918796.db2.gz MLKLJXBJWCQHKN-GOSISDBHSA-N 1 0 330.472 4.436 20 30 EIEDRO N#CCc1cccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000449692600 1031933587 /nfs/dbraw/zinc/93/35/87/1031933587.db2.gz BOLJETNMZZMJHE-UHFFFAOYSA-N 1 0 339.870 4.483 20 30 EIEDRO COc1c(Cl)cccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000897480304 1031940226 /nfs/dbraw/zinc/94/02/26/1031940226.db2.gz WKZPHXNZOHCYTQ-UHFFFAOYSA-N 1 0 328.843 4.440 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)CCCS2 ZINC000453397143 1031966179 /nfs/dbraw/zinc/96/61/79/1031966179.db2.gz ZFSXEQJQYKCXNU-GOSISDBHSA-N 1 0 342.439 4.423 20 30 EIEDRO Cc1cccc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000449771170 1031993634 /nfs/dbraw/zinc/99/36/34/1031993634.db2.gz FJWAMDYDTPCMKR-SFHVURJKSA-N 1 0 333.479 4.182 20 30 EIEDRO Cc1cccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000449771168 1031994576 /nfs/dbraw/zinc/99/45/76/1031994576.db2.gz FJWAMDYDTPCMKR-GOSISDBHSA-N 1 0 333.479 4.182 20 30 EIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(OCC)cc1 ZINC000512553044 1033334247 /nfs/dbraw/zinc/33/42/47/1033334247.db2.gz XVRXCJHIACSTHK-UHFFFAOYSA-N 1 0 327.472 4.441 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000429841482 1033394473 /nfs/dbraw/zinc/39/44/73/1033394473.db2.gz XJCCWLMMMYBGNP-QGZVFWFLSA-N 1 0 328.500 4.280 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 ZINC000512589848 1033446515 /nfs/dbraw/zinc/44/65/15/1033446515.db2.gz COONMLMUVYTOGZ-UHFFFAOYSA-N 1 0 347.462 4.026 20 30 EIEDRO COc1ccc(OCC[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614159666 1033528334 /nfs/dbraw/zinc/52/83/34/1033528334.db2.gz OAQFGHQIFXUOOQ-UHFFFAOYSA-N 1 0 338.451 4.007 20 30 EIEDRO COc1cccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512625908 1033539514 /nfs/dbraw/zinc/53/95/14/1033539514.db2.gz QWMZLYOSMRSRFR-CQSZACIVSA-N 1 0 326.415 4.334 20 30 EIEDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512628691 1033561037 /nfs/dbraw/zinc/56/10/37/1033561037.db2.gz GFPVCCBCBXVDKW-KBPBESRZSA-N 1 0 340.398 4.098 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000512636228 1033577442 /nfs/dbraw/zinc/57/74/42/1033577442.db2.gz KOEWESLLMQOORP-GDBMZVCRSA-N 1 0 341.405 4.156 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1F ZINC000512636903 1033582607 /nfs/dbraw/zinc/58/26/07/1033582607.db2.gz PNTXICSDGRSIFB-XJKSGUPXSA-N 1 0 343.833 4.280 20 30 EIEDRO C[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512647021 1033602844 /nfs/dbraw/zinc/60/28/44/1033602844.db2.gz GCNAFKYWIFCADD-ZDUSSCGKSA-N 1 0 332.806 4.218 20 30 EIEDRO C[C@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512649562 1033607108 /nfs/dbraw/zinc/60/71/08/1033607108.db2.gz SNWNTZOOYGREFO-INIZCTEOSA-N 1 0 325.431 4.265 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512654723 1033629293 /nfs/dbraw/zinc/62/92/93/1033629293.db2.gz OFPCRFMKGYCVCD-AWEZNQCLSA-N 1 0 326.415 4.334 20 30 EIEDRO Cc1ccccc1NC(=O)CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433026084 1033686774 /nfs/dbraw/zinc/68/67/74/1033686774.db2.gz CLIBOJFDCNLJSD-HXUWFJFHSA-N 1 0 335.451 4.348 20 30 EIEDRO N#CCCC[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433027227 1033687367 /nfs/dbraw/zinc/68/73/67/1033687367.db2.gz UCEPBQLSURNUFQ-IBGZPJMESA-N 1 0 336.435 4.025 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000433038118 1033706336 /nfs/dbraw/zinc/70/63/36/1033706336.db2.gz ICBCMGFBIUXRCW-OAQYLSRUSA-N 1 0 332.447 4.105 20 30 EIEDRO C[C@H](c1cccc(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512811592 1034000025 /nfs/dbraw/zinc/00/00/25/1034000025.db2.gz IKTKQDHTMRFIFV-CQSZACIVSA-N 1 0 342.389 4.441 20 30 EIEDRO CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000433304943 1034202165 /nfs/dbraw/zinc/20/21/65/1034202165.db2.gz OPQDQDCOAWEQOD-UWJYYQICSA-N 1 0 349.478 4.161 20 30 EIEDRO OCC1([C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)c2ccccc2)CCC1 ZINC000433315894 1034231817 /nfs/dbraw/zinc/23/18/17/1034231817.db2.gz ZOFOIOBDBGKKHF-FQEVSTJZSA-N 1 0 339.866 4.185 20 30 EIEDRO Cc1cccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1C ZINC000428756008 1034294181 /nfs/dbraw/zinc/29/41/81/1034294181.db2.gz DKHUGHOZEHODTO-UHFFFAOYSA-N 1 0 344.462 4.208 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(C2CC2)cc1 ZINC000419329733 1034306580 /nfs/dbraw/zinc/30/65/80/1034306580.db2.gz BKFOETVYMRPMQA-ZDUSSCGKSA-N 1 0 339.464 4.177 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000513019307 1034325735 /nfs/dbraw/zinc/32/57/35/1034325735.db2.gz BEVSLQHSFLXCGR-UHFFFAOYSA-N 1 0 336.479 4.357 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000513078478 1034502238 /nfs/dbraw/zinc/50/22/38/1034502238.db2.gz XXQORADZSIXRLG-NZSAHSFTSA-N 1 0 326.465 4.061 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)cc1C ZINC000614407350 1034559519 /nfs/dbraw/zinc/55/95/19/1034559519.db2.gz NFUPJCFCKOKHLM-LIRRHRJNSA-N 1 0 328.843 4.386 20 30 EIEDRO C[N@H+](CCOCCC#N)[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000549929504 1034783993 /nfs/dbraw/zinc/78/39/93/1034783993.db2.gz CYKPCBZUERPKDM-IRXDYDNUSA-N 1 0 340.389 4.204 20 30 EIEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000513239676 1034854486 /nfs/dbraw/zinc/85/44/86/1034854486.db2.gz BNKIPKIFULZSIS-UHFFFAOYSA-N 1 0 347.462 4.495 20 30 EIEDRO N#Cc1csc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)c1 ZINC000513380051 1034897658 /nfs/dbraw/zinc/89/76/58/1034897658.db2.gz APFVLWUIPQTINM-UHFFFAOYSA-N 1 0 338.476 4.499 20 30 EIEDRO COc1ccccc1O[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000513386822 1034904102 /nfs/dbraw/zinc/90/41/02/1034904102.db2.gz QUZDGKAWOFZIMT-KRWDZBQOSA-N 1 0 330.472 4.258 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc2n[nH]cc2c1 ZINC000513419442 1034925873 /nfs/dbraw/zinc/92/58/73/1034925873.db2.gz HSWNODFIHLEFLV-CYBMUJFWSA-N 1 0 343.352 4.284 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 ZINC000182586355 1034971193 /nfs/dbraw/zinc/97/11/93/1034971193.db2.gz OQLQQSUBIHPVHY-DYVFJYSZSA-N 1 0 341.842 4.280 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1 ZINC000433985749 1035044469 /nfs/dbraw/zinc/04/44/69/1035044469.db2.gz OYVZUUHFDDQMCB-UHFFFAOYSA-N 1 0 339.414 4.182 20 30 EIEDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000513647615 1035086805 /nfs/dbraw/zinc/08/68/05/1035086805.db2.gz KWVFIBKIIBGBBX-GDBMZVCRSA-N 1 0 338.451 4.166 20 30 EIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000501200185 1035396198 /nfs/dbraw/zinc/39/61/98/1035396198.db2.gz BVGDDPDVOFOIJD-HXUWFJFHSA-N 1 0 336.435 4.085 20 30 EIEDRO COc1ccc(C[NH2+]CC2(CC#N)CC2)cc1OCc1ccccc1 ZINC000430037910 1035448549 /nfs/dbraw/zinc/44/85/49/1035448549.db2.gz AFSUCSUCWXWWJH-UHFFFAOYSA-N 1 0 336.435 4.058 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cc2cnccc2o1 ZINC000595010841 1035505778 /nfs/dbraw/zinc/50/57/78/1035505778.db2.gz ZFYRHCLCJYOMNN-AWEZNQCLSA-N 1 0 337.448 4.283 20 30 EIEDRO N#CC1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCCCC1 ZINC000594981204 1035512060 /nfs/dbraw/zinc/51/20/60/1035512060.db2.gz KOKPKWJWBZNZEJ-UHFFFAOYSA-N 1 0 345.918 4.368 20 30 EIEDRO CC(C)[C@@H](O)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594990401 1035518138 /nfs/dbraw/zinc/51/81/38/1035518138.db2.gz PYTJPXZBCNYBJX-NHCUHLMSSA-N 1 0 334.463 4.090 20 30 EIEDRO COc1cc(OC)c([C@@H](C)[NH2+]CCc2ccc(C#N)cc2)cc1Cl ZINC000595055226 1035534678 /nfs/dbraw/zinc/53/46/78/1035534678.db2.gz BLICORDNERQPOP-CYBMUJFWSA-N 1 0 344.842 4.122 20 30 EIEDRO C=CCCSCC[NH2+][C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000595060601 1035537469 /nfs/dbraw/zinc/53/74/69/1035537469.db2.gz WKMSBDIWXDDYLP-LJQANCHMSA-N 1 0 328.481 4.079 20 30 EIEDRO COC[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000595055467 1035537769 /nfs/dbraw/zinc/53/77/69/1035537769.db2.gz FBYFIGOZCYJWLS-SFHVURJKSA-N 1 0 348.368 4.097 20 30 EIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000484986026 1035544885 /nfs/dbraw/zinc/54/48/85/1035544885.db2.gz JCLIWZOGBPDWFD-HNNXBMFYSA-N 1 0 347.418 4.292 20 30 EIEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000595104980 1035589590 /nfs/dbraw/zinc/58/95/90/1035589590.db2.gz BZBSOKRRFMQBBK-KPFYNRIZSA-N 1 0 348.490 4.145 20 30 EIEDRO CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000595094085 1035603592 /nfs/dbraw/zinc/60/35/92/1035603592.db2.gz BWGVPPOICPOKOU-PNHOKKKMSA-N 1 0 326.415 4.106 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595499909 1035689634 /nfs/dbraw/zinc/68/96/34/1035689634.db2.gz BLIPCBGMXOQPGS-KRWDZBQOSA-N 1 0 327.359 4.259 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1F ZINC000595552701 1035702764 /nfs/dbraw/zinc/70/27/64/1035702764.db2.gz ZRAFEPOFAPUHPZ-UHFFFAOYSA-N 1 0 348.425 4.028 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000595619404 1035738466 /nfs/dbraw/zinc/73/84/66/1035738466.db2.gz AGBXNTUVUMLKAZ-DYVFJYSZSA-N 1 0 333.273 4.452 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)cc1 ZINC000761123340 1035745211 /nfs/dbraw/zinc/74/52/11/1035745211.db2.gz KYRTYVTXMBVZKZ-FGZHOGPDSA-N 1 0 334.463 4.079 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000595615778 1035748231 /nfs/dbraw/zinc/74/82/31/1035748231.db2.gz NSQQNCBXIWDPKO-GOSISDBHSA-N 1 0 347.462 4.308 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000595615082 1035750435 /nfs/dbraw/zinc/75/04/35/1035750435.db2.gz OWQZZWRTUPWUPV-RKLPNKIQSA-N 1 0 333.273 4.478 20 30 EIEDRO CC(C)OC(=O)c1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1 ZINC000595641071 1035756277 /nfs/dbraw/zinc/75/62/77/1035756277.db2.gz ZFJNQYUNLSZKMZ-UHFFFAOYSA-N 1 0 336.435 4.148 20 30 EIEDRO Cc1ccccc1CCC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595765652 1035778606 /nfs/dbraw/zinc/77/86/06/1035778606.db2.gz ROANNJVFMUEMJA-UHFFFAOYSA-N 1 0 334.463 4.095 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ccccc3-n3ccnc31)CC2 ZINC000596095356 1035821346 /nfs/dbraw/zinc/82/13/46/1035821346.db2.gz PQQDPXWJOAECQM-UXHICEINSA-N 1 0 340.430 4.008 20 30 EIEDRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000485331759 1035826539 /nfs/dbraw/zinc/82/65/39/1035826539.db2.gz OEIWRWWXQQEVLK-DYESRHJHSA-N 1 0 347.462 4.021 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3ccc(C#N)cc3)CC1)CC2 ZINC000586790862 1035847708 /nfs/dbraw/zinc/84/77/08/1035847708.db2.gz TUJWPKDMRBUTMK-QFIPXVFZSA-N 1 0 331.463 4.113 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000586796673 1035849930 /nfs/dbraw/zinc/84/99/30/1035849930.db2.gz SOGGSCGOTMFGJU-LOWVWBTDSA-N 1 0 325.225 4.321 20 30 EIEDRO COCC1(C#N)CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC000420961203 1035893088 /nfs/dbraw/zinc/89/30/88/1035893088.db2.gz IQFCLUMLJIYMOK-UHFFFAOYSA-N 1 0 328.843 4.245 20 30 EIEDRO C=CCSc1ccccc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000485457878 1035893072 /nfs/dbraw/zinc/89/30/72/1035893072.db2.gz SGXNFAOUMWKCQD-UHFFFAOYSA-N 1 0 326.465 4.279 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cccc(F)c1 ZINC000593184209 1035894850 /nfs/dbraw/zinc/89/48/50/1035894850.db2.gz ZTPXFYNTEIGRRL-MRXNPFEDSA-N 1 0 337.442 4.013 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593184176 1035895775 /nfs/dbraw/zinc/89/57/75/1035895775.db2.gz XWZQDDLZKKQPPQ-JOCHJYFZSA-N 1 0 333.479 4.264 20 30 EIEDRO N#CC1(c2ccc(C[N@H+](CCc3ccccc3)[C@H]3CCOC3)cc2)CC1 ZINC000597026568 1036078273 /nfs/dbraw/zinc/07/82/73/1036078273.db2.gz KNUWAWMCDSWQEW-QFIPXVFZSA-N 1 0 346.474 4.075 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421115198 1036079714 /nfs/dbraw/zinc/07/97/14/1036079714.db2.gz WPCJGIWNBIFZDY-KRWDZBQOSA-N 1 0 329.488 4.096 20 30 EIEDRO Cc1ccc(C2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)cn1 ZINC000597083730 1036097399 /nfs/dbraw/zinc/09/73/99/1036097399.db2.gz VTMODZBLLAAQJS-UHFFFAOYSA-N 1 0 331.463 4.325 20 30 EIEDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597084966 1036098448 /nfs/dbraw/zinc/09/84/48/1036098448.db2.gz DDEZEJFVOFGQFY-NRFANRHFSA-N 1 0 334.463 4.015 20 30 EIEDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000597088703 1036099877 /nfs/dbraw/zinc/09/98/77/1036099877.db2.gz MOAJPXVGMAFFOJ-LJQANCHMSA-N 1 0 336.435 4.318 20 30 EIEDRO COc1cc(C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C2CC2)ccc1O ZINC000597088470 1036101188 /nfs/dbraw/zinc/10/11/88/1036101188.db2.gz NMASVENIPQGZKW-UHFFFAOYSA-N 1 0 348.446 4.121 20 30 EIEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000597137696 1036119032 /nfs/dbraw/zinc/11/90/32/1036119032.db2.gz XLDVVQSXJTTZMO-LJQANCHMSA-N 1 0 340.854 4.061 20 30 EIEDRO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000060468821 1036134069 /nfs/dbraw/zinc/13/40/69/1036134069.db2.gz MPKSUYICQYZDHU-HNNXBMFYSA-N 1 0 341.405 4.110 20 30 EIEDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCOc2ccccc2C#N)C2CC2)o1 ZINC000060468346 1036135890 /nfs/dbraw/zinc/13/58/90/1036135890.db2.gz VXLJHVZBLVQEAQ-HNAYVOBHSA-N 1 0 336.435 4.318 20 30 EIEDRO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000060468820 1036136850 /nfs/dbraw/zinc/13/68/50/1036136850.db2.gz NPXZUNNDXKKVKF-INIZCTEOSA-N 1 0 339.870 4.485 20 30 EIEDRO COC[C@@H](C)Oc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000597160205 1036138463 /nfs/dbraw/zinc/13/84/63/1036138463.db2.gz KNXVXXIAFIDZTD-SJORKVTESA-N 1 0 338.451 4.165 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000597174683 1036141075 /nfs/dbraw/zinc/14/10/75/1036141075.db2.gz SSLULLASIGUNJR-LBPRGKRZSA-N 1 0 337.250 4.395 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c(O)c(OC)c1 ZINC000164519715 1036168617 /nfs/dbraw/zinc/16/86/17/1036168617.db2.gz JTDCNBDURLBOMI-IBGZPJMESA-N 1 0 338.451 4.170 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)CC(F)(F)F ZINC000414509663 1036245836 /nfs/dbraw/zinc/24/58/36/1036245836.db2.gz CLMWUVYVARGZNK-VIFPVBQESA-N 1 0 347.274 4.445 20 30 EIEDRO CCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CC1CCCCC1 ZINC000060599148 1036277799 /nfs/dbraw/zinc/27/77/99/1036277799.db2.gz DLVUMBZUZIPBEE-UHFFFAOYSA-N 1 0 341.499 4.226 20 30 EIEDRO CCCCOc1cc(C[NH2+]Cc2ccc(C#N)s2)ccc1OC ZINC000421353884 1036298363 /nfs/dbraw/zinc/29/83/63/1036298363.db2.gz QJZAFQFXZZLOAG-UHFFFAOYSA-N 1 0 330.453 4.097 20 30 EIEDRO N#CCCCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000588248590 1036303063 /nfs/dbraw/zinc/30/30/63/1036303063.db2.gz SPJFKVFTEORFTP-SFHVURJKSA-N 1 0 347.890 4.067 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)ccc1OC ZINC000602285633 1036383935 /nfs/dbraw/zinc/38/39/35/1036383935.db2.gz JUNLPAPCFNTVHG-INIZCTEOSA-N 1 0 343.471 4.278 20 30 EIEDRO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@@H](C)CCC#N ZINC000602428982 1036445959 /nfs/dbraw/zinc/44/59/59/1036445959.db2.gz AUKOXUDFZCKHQF-LBPRGKRZSA-N 1 0 342.270 4.194 20 30 EIEDRO C[C@@H](CCC#N)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000602450291 1036450693 /nfs/dbraw/zinc/45/06/93/1036450693.db2.gz WVOXACMPFMIGSS-HNNXBMFYSA-N 1 0 328.435 4.020 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000602483247 1036463507 /nfs/dbraw/zinc/46/35/07/1036463507.db2.gz ICOKQBDCPLLWRV-GOSISDBHSA-N 1 0 341.499 4.183 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1cccc(OCc2ccccn2)c1 ZINC000602518791 1036474418 /nfs/dbraw/zinc/47/44/18/1036474418.db2.gz SHAKZCRISKKTEU-MUYFXNHWSA-N 1 0 335.451 4.394 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602508025 1036482825 /nfs/dbraw/zinc/48/28/25/1036482825.db2.gz KWQYTAAKHLJOBL-IFMALSPDSA-N 1 0 331.463 4.016 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)cc1Br ZINC000602512654 1036486064 /nfs/dbraw/zinc/48/60/64/1036486064.db2.gz LOBXYVYMBIQQOY-NWDGAFQWSA-N 1 0 325.250 4.048 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000602512616 1036486728 /nfs/dbraw/zinc/48/67/28/1036486728.db2.gz WKQJGKQXHZBSIB-RHSMWYFYSA-N 1 0 337.870 4.145 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000602512130 1036487422 /nfs/dbraw/zinc/48/74/22/1036487422.db2.gz QDCRGORMAGNNJD-CZUORRHYSA-N 1 0 334.460 4.051 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000602545119 1036489795 /nfs/dbraw/zinc/48/97/95/1036489795.db2.gz SXDNLEZLJWNJIF-JTQLQIEISA-N 1 0 347.203 4.080 20 30 EIEDRO N#CC1CCC([NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000602548540 1036491125 /nfs/dbraw/zinc/49/11/25/1036491125.db2.gz ZBEHGUFJRABEEK-UYJHFMRCSA-N 1 0 349.881 4.115 20 30 EIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]C1CCC(C#N)CC1 ZINC000602530780 1036494226 /nfs/dbraw/zinc/49/42/26/1036494226.db2.gz SQPKTCGWYRRKOT-BZOOQXSSSA-N 1 0 335.289 4.442 20 30 EIEDRO CC1=C(C)C[C@H]([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000602533704 1036495861 /nfs/dbraw/zinc/49/58/61/1036495861.db2.gz RANNDYWMLPPTMA-PKOBYXMFSA-N 1 0 338.499 4.037 20 30 EIEDRO CCc1ccc(C(C)(C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602566758 1036499066 /nfs/dbraw/zinc/49/90/66/1036499066.db2.gz ZOYWQGYOGQJUPM-KRWDZBQOSA-N 1 0 328.500 4.215 20 30 EIEDRO CC(C)N1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000602589192 1036503478 /nfs/dbraw/zinc/50/34/78/1036503478.db2.gz DVDDAYXZZWLXNC-VAZMBZEVSA-N 1 0 347.453 4.161 20 30 EIEDRO COc1ccc([C@@H]([NH2+]C[C@@H](C)CCC#N)c2ccccc2OC)cc1 ZINC000602580247 1036511492 /nfs/dbraw/zinc/51/14/92/1036511492.db2.gz FRVJPGWRGCSIIP-HRAATJIYSA-N 1 0 338.451 4.323 20 30 EIEDRO CC1(C#N)CCC([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000572452873 1036530573 /nfs/dbraw/zinc/53/05/73/1036530573.db2.gz WQJKKKNJUHQEMC-UHFFFAOYSA-N 1 0 337.467 4.310 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000602674039 1036553136 /nfs/dbraw/zinc/55/31/36/1036553136.db2.gz BRTJJKCFPRQNJX-AWEZNQCLSA-N 1 0 338.854 4.100 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(Cl)cc1O ZINC000602693615 1036565785 /nfs/dbraw/zinc/56/57/85/1036565785.db2.gz CTESQQUKVFCTOX-KRWDZBQOSA-N 1 0 342.826 4.093 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000602692203 1036566247 /nfs/dbraw/zinc/56/62/47/1036566247.db2.gz VRVMCIANMNDDIZ-XJKCOSOUSA-N 1 0 336.838 4.024 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]C(C)(C)c1cccc(C#N)c1)CC2 ZINC000602706177 1036580784 /nfs/dbraw/zinc/58/07/84/1036580784.db2.gz IRDDAIUYXOEPIL-SFHVURJKSA-N 1 0 336.435 4.088 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000502727686 1036583795 /nfs/dbraw/zinc/58/37/95/1036583795.db2.gz SDYIYYXTMVPPMQ-HNNXBMFYSA-N 1 0 326.444 4.261 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000602730055 1036600946 /nfs/dbraw/zinc/60/09/46/1036600946.db2.gz OFZKTXDVNLUBHT-CQSZACIVSA-N 1 0 345.874 4.052 20 30 EIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000588980535 1036631260 /nfs/dbraw/zinc/63/12/60/1036631260.db2.gz XDAXTDCIPLDBRC-UHFFFAOYSA-N 1 0 330.378 4.144 20 30 EIEDRO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906989 1036660865 /nfs/dbraw/zinc/66/08/65/1036660865.db2.gz KHOYJNUIOWWQLT-CQSZACIVSA-N 1 0 332.407 4.035 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602979155 1036687911 /nfs/dbraw/zinc/68/79/11/1036687911.db2.gz ANAPWIYPMYIMHP-GHTZIAJQSA-N 1 0 347.462 4.306 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1Oc1ccccc1 ZINC000598603686 1036704680 /nfs/dbraw/zinc/70/46/80/1036704680.db2.gz YUJBWSGQEXCBST-DLBZAZTESA-N 1 0 338.451 4.430 20 30 EIEDRO CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598602335 1036704939 /nfs/dbraw/zinc/70/49/39/1036704939.db2.gz NLRWBEWGYTUYEE-JKSUJKDBSA-N 1 0 342.405 4.437 20 30 EIEDRO CCC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598602326 1036705160 /nfs/dbraw/zinc/70/51/60/1036705160.db2.gz NLRWBEWGYTUYEE-CVEARBPZSA-N 1 0 342.405 4.437 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000598603481 1036705501 /nfs/dbraw/zinc/70/55/01/1036705501.db2.gz UKYOQROTZBMIIY-LEWJYISDSA-N 1 0 336.479 4.251 20 30 EIEDRO CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598602330 1036705665 /nfs/dbraw/zinc/70/56/65/1036705665.db2.gz NLRWBEWGYTUYEE-HOTGVXAUSA-N 1 0 342.405 4.437 20 30 EIEDRO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598587736 1036707446 /nfs/dbraw/zinc/70/74/46/1036707446.db2.gz UTWDWXCHKQPMGU-AAEUAGOBSA-N 1 0 329.271 4.287 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000598598032 1036711561 /nfs/dbraw/zinc/71/15/61/1036711561.db2.gz MOOYIQMXUYGCEC-NRFANRHFSA-N 1 0 349.478 4.014 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(c1ccccc1)c1ccccc1 ZINC000598612947 1036712892 /nfs/dbraw/zinc/71/28/92/1036712892.db2.gz SSLIRTQOZPPKPM-XLIONFOSSA-N 1 0 336.479 4.097 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000589262080 1036720474 /nfs/dbraw/zinc/72/04/74/1036720474.db2.gz PYZYBQDZQBIRHM-HXUWFJFHSA-N 1 0 336.479 4.337 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000589284671 1036730469 /nfs/dbraw/zinc/73/04/69/1036730469.db2.gz RAWAIYKYWHVPEM-PMACEKPBSA-N 1 0 339.870 4.055 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000589341680 1036737556 /nfs/dbraw/zinc/73/75/56/1036737556.db2.gz GNGHLKGJPHOUFC-MOPGFXCFSA-N 1 0 326.827 4.176 20 30 EIEDRO CO[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000589341681 1036739649 /nfs/dbraw/zinc/73/96/49/1036739649.db2.gz GNGHLKGJPHOUFC-OALUTQOASA-N 1 0 326.827 4.176 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cccc(OC(F)F)c1 ZINC000589336462 1036739964 /nfs/dbraw/zinc/73/99/64/1036739964.db2.gz JZPDWZALXGVEFS-SGTLLEGYSA-N 1 0 328.362 4.498 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C3CCC4(CCCC4)CC3)CC2)nc1 ZINC000589339216 1036740019 /nfs/dbraw/zinc/74/00/19/1036740019.db2.gz YYBBFKKXGMTIHK-UHFFFAOYSA-N 1 0 338.499 4.015 20 30 EIEDRO COC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 ZINC000589344177 1036741816 /nfs/dbraw/zinc/74/18/16/1036741816.db2.gz DWDKZLYAMMJWOR-KRWDZBQOSA-N 1 0 335.234 4.342 20 30 EIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ccc(C#N)cc31)CCO2 ZINC000589343916 1036742239 /nfs/dbraw/zinc/74/22/39/1036742239.db2.gz HGQGYQNIFQYMFP-PMACEKPBSA-N 1 0 334.419 4.058 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)cc1Cl ZINC000589319744 1036744910 /nfs/dbraw/zinc/74/49/10/1036744910.db2.gz CPQMLOXKYSQASU-UHFFFAOYSA-N 1 0 340.732 4.226 20 30 EIEDRO C[N@H+](Cc1ccccc1NC[C@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598725422 1036762098 /nfs/dbraw/zinc/76/20/98/1036762098.db2.gz DUEXZMAPTXDIEL-LJQANCHMSA-N 1 0 343.515 4.164 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)ccc1SC ZINC000486657205 1036799575 /nfs/dbraw/zinc/79/95/75/1036799575.db2.gz MWXZZXLHMCOBGV-UHFFFAOYSA-N 1 0 326.465 4.229 20 30 EIEDRO COc1nc2ccccc2cc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000572705736 1036811201 /nfs/dbraw/zinc/81/12/01/1036811201.db2.gz FNTJJROGKZEZID-OAQYLSRUSA-N 1 0 343.430 4.282 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C(C)C)c(F)c1 ZINC000421861672 1036814766 /nfs/dbraw/zinc/81/47/66/1036814766.db2.gz WDPYYMCNTXUPNN-FQEVSTJZSA-N 1 0 342.414 4.201 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(C(F)(F)F)c1 ZINC000589516146 1036820803 /nfs/dbraw/zinc/82/08/03/1036820803.db2.gz HYOOQOYPDGNUSL-BPQIPLTHSA-N 1 0 328.337 4.005 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589513078 1036821058 /nfs/dbraw/zinc/82/10/58/1036821058.db2.gz WDUXWWJPZYFIHR-GOSISDBHSA-N 1 0 341.336 4.226 20 30 EIEDRO C=CCCCCC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000486733440 1036834629 /nfs/dbraw/zinc/83/46/29/1036834629.db2.gz IBUMCXGDLVKXPJ-UHFFFAOYSA-N 1 0 334.891 4.234 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)s1 ZINC000421869445 1036840335 /nfs/dbraw/zinc/84/03/35/1036840335.db2.gz DTCJLVIASNHURW-LLVKDONJSA-N 1 0 339.283 4.221 20 30 EIEDRO CC(C)c1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000599004876 1036845285 /nfs/dbraw/zinc/84/52/85/1036845285.db2.gz KJISGEJYAIJPJI-UHFFFAOYSA-N 1 0 334.463 4.477 20 30 EIEDRO C[C@H](C[NH2+]Cc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000502992953 1036854711 /nfs/dbraw/zinc/85/47/11/1036854711.db2.gz VJWUVWMYGGUHHF-CYBMUJFWSA-N 1 0 329.241 4.214 20 30 EIEDRO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CC1(C#N)CCC1 ZINC001307423616 1036870862 /nfs/dbraw/zinc/87/08/62/1036870862.db2.gz KPPHUJNRSHVAMX-CQSZACIVSA-N 1 0 341.282 4.260 20 30 EIEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000593688318 1036886416 /nfs/dbraw/zinc/88/64/16/1036886416.db2.gz OOULUXPNCBJCFB-HRAATJIYSA-N 1 0 349.478 4.029 20 30 EIEDRO COc1cc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)ccc1C#N ZINC000593687516 1036892345 /nfs/dbraw/zinc/89/23/45/1036892345.db2.gz HVGKEBFLFRVMBG-UHFFFAOYSA-N 1 0 346.352 4.365 20 30 EIEDRO CC[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593693052 1036894925 /nfs/dbraw/zinc/89/49/25/1036894925.db2.gz NBZZASGSAWSYAL-LAUBAEHRSA-N 1 0 325.500 4.081 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H]1OCCc2sccc21 ZINC000589949226 1036898777 /nfs/dbraw/zinc/89/87/77/1036898777.db2.gz VTPJFGMEAGVBEO-CYFNAFFESA-N 1 0 338.476 4.289 20 30 EIEDRO C[C@@H](CC[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593695309 1036899627 /nfs/dbraw/zinc/89/96/27/1036899627.db2.gz KNYOLVFPIQPBLQ-IBGZPJMESA-N 1 0 347.506 4.306 20 30 EIEDRO Cc1noc(C)c1C[NH+]=C(NCc1ccc(C)cc1)Nc1ccccc1 ZINC000170911425 1036925505 /nfs/dbraw/zinc/92/55/05/1036925505.db2.gz AJAMHVPEAMKGSJ-UHFFFAOYSA-N 1 0 348.450 4.358 20 30 EIEDRO Cc1cccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1C ZINC000593720618 1036934887 /nfs/dbraw/zinc/93/48/87/1036934887.db2.gz IMBXIOIOYJBWJY-IBGZPJMESA-N 1 0 347.506 4.490 20 30 EIEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000593725960 1036943650 /nfs/dbraw/zinc/94/36/50/1036943650.db2.gz SWRBVQWSROBXRN-GAJHUEQPSA-N 1 0 345.490 4.361 20 30 EIEDRO CC(C)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000599353495 1036968601 /nfs/dbraw/zinc/96/86/01/1036968601.db2.gz HWTCZOLQSAOVJB-HZPDHXFCSA-N 1 0 340.389 4.047 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 ZINC000590068691 1036971128 /nfs/dbraw/zinc/97/11/28/1036971128.db2.gz QHNFTXIPTGPHKC-NRFANRHFSA-N 1 0 347.462 4.104 20 30 EIEDRO Cc1c2ccccc2oc1[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C(C)C ZINC000599364802 1036979935 /nfs/dbraw/zinc/97/99/35/1036979935.db2.gz ZCBASAGEZUAMGH-CRAIPNDOSA-N 1 0 326.440 4.083 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)[C@H]1CC[C@H](C#N)C1 ZINC000590157708 1036992383 /nfs/dbraw/zinc/99/23/83/1036992383.db2.gz DEWJPPGAFSHOKT-YOEHRIQHSA-N 1 0 327.403 4.037 20 30 EIEDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599391066 1036996369 /nfs/dbraw/zinc/99/63/69/1036996369.db2.gz VJWJAEUONGGGDQ-UHFFFAOYSA-N 1 0 344.462 4.362 20 30 EIEDRO C[C@@H](CCO)C1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC1 ZINC000271834868 1037028723 /nfs/dbraw/zinc/02/87/23/1037028723.db2.gz FSCFONTXKPTKBC-PELRDEGISA-N 1 0 340.511 4.169 20 30 EIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000271841550 1037030672 /nfs/dbraw/zinc/03/06/72/1037030672.db2.gz ZMEWWMVFXLGUGA-HXUWFJFHSA-N 1 0 338.451 4.475 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc([S@@](C)=O)cc1 ZINC000271848854 1037034994 /nfs/dbraw/zinc/03/49/94/1037034994.db2.gz VNEYVRAGUUIOFX-OYLFLEFRSA-N 1 0 340.492 4.076 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(F)c(Br)c1 ZINC000590261729 1037038310 /nfs/dbraw/zinc/03/83/10/1037038310.db2.gz PFTJUKXIFAKLPZ-GMXVVIOVSA-N 1 0 325.225 4.321 20 30 EIEDRO N#CCCCC[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526286 1037055816 /nfs/dbraw/zinc/05/58/16/1037055816.db2.gz JQGJZGOFLJVRGP-HNNXBMFYSA-N 1 0 339.302 4.309 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000603894741 1037080091 /nfs/dbraw/zinc/08/00/91/1037080091.db2.gz ANSSQIHWMCWCNJ-UHFFFAOYSA-N 1 0 348.368 4.226 20 30 EIEDRO C=CCSCC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000487278029 1037092075 /nfs/dbraw/zinc/09/20/75/1037092075.db2.gz LWDXTEKPOTUIDH-UHFFFAOYSA-N 1 0 341.402 4.104 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](C#N)CCC#N ZINC000599651358 1037118495 /nfs/dbraw/zinc/11/84/95/1037118495.db2.gz GIRCYGBTMXRNIU-IIAWOOMASA-N 1 0 346.272 4.070 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC3(CCC(O)CC3)CC2)cc1 ZINC000590746052 1037153620 /nfs/dbraw/zinc/15/36/20/1037153620.db2.gz DQSMAQWMILMBKE-UHFFFAOYSA-N 1 0 326.484 4.005 20 30 EIEDRO CN1CCC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000590780186 1037163830 /nfs/dbraw/zinc/16/38/30/1037163830.db2.gz XMTFWHRBQXCDNU-SFTDATJTSA-N 1 0 331.463 4.497 20 30 EIEDRO C=CCC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000487596139 1037164258 /nfs/dbraw/zinc/16/42/58/1037164258.db2.gz OAVAZVQGGQOOAN-RTWAWAEBSA-N 1 0 336.479 4.156 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(-c2ccccc2)nn1C ZINC000590778498 1037164433 /nfs/dbraw/zinc/16/44/33/1037164433.db2.gz QSCBAJILSPRQAO-FOIQADDNSA-N 1 0 342.446 4.297 20 30 EIEDRO CCOc1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc(Cl)c1O ZINC000590962111 1037216650 /nfs/dbraw/zinc/21/66/50/1037216650.db2.gz AUKGBECDGVMJQN-QGZVFWFLSA-N 1 0 342.826 4.093 20 30 EIEDRO Cc1cc2oc(=O)cc(C[NH+]3CCC(C)(C#N)CC3)c2cc1C(C)C ZINC000272652211 1037256020 /nfs/dbraw/zinc/25/60/20/1037256020.db2.gz ZPEIUMKOOHYGSP-UHFFFAOYSA-N 1 0 338.451 4.351 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000591023404 1037274089 /nfs/dbraw/zinc/27/40/89/1037274089.db2.gz HYUNSINVHVJHSX-HXUWFJFHSA-N 1 0 333.435 4.018 20 30 EIEDRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC(C#N)CC1 ZINC000057875329 1037284841 /nfs/dbraw/zinc/28/48/41/1037284841.db2.gz ZMNSFVHWCPTRRA-INIZCTEOSA-N 1 0 333.435 4.235 20 30 EIEDRO C[C@H]1C[C@@H](Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000272825915 1037303978 /nfs/dbraw/zinc/30/39/78/1037303978.db2.gz HFKQJYZBMIMBEZ-PXNSSMCTSA-N 1 0 335.451 4.054 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000591191158 1037321691 /nfs/dbraw/zinc/32/16/91/1037321691.db2.gz DYZVQDOBKKNZKV-LJQANCHMSA-N 1 0 330.472 4.091 20 30 EIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000604417901 1037385824 /nfs/dbraw/zinc/38/58/24/1037385824.db2.gz KQKGMWNABQCUKI-CQSZACIVSA-N 1 0 343.268 4.432 20 30 EIEDRO Cc1cn2c(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)c(C)nc2s1 ZINC000591357579 1037393966 /nfs/dbraw/zinc/39/39/66/1037393966.db2.gz SAKVOWGDDFXQFZ-KRWDZBQOSA-N 1 0 336.464 4.052 20 30 EIEDRO CCN(Cc1ccccc1C#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000604490093 1037401907 /nfs/dbraw/zinc/40/19/07/1037401907.db2.gz ZJNSXWNZUYZQQN-PGRDOPGGSA-N 1 0 333.479 4.216 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521518 1037403355 /nfs/dbraw/zinc/40/33/55/1037403355.db2.gz OEWIEAYMBBLSJE-FPOVZHCZSA-N 1 0 338.426 4.297 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000488336753 1037525981 /nfs/dbraw/zinc/52/59/81/1037525981.db2.gz UOYGTUZGMNAWTP-SFTDATJTSA-N 1 0 340.511 4.213 20 30 EIEDRO CSc1ccc([C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000573510766 1037575598 /nfs/dbraw/zinc/57/55/98/1037575598.db2.gz WFWJUVXSQLBNCJ-QRWLVFNGSA-N 1 0 339.508 4.234 20 30 EIEDRO C[C@H](CCc1cccc(F)c1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573606825 1037599788 /nfs/dbraw/zinc/59/97/88/1037599788.db2.gz GCDXYZKPVUTGCJ-QGZVFWFLSA-N 1 0 340.442 4.167 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000573887030 1037716466 /nfs/dbraw/zinc/71/64/66/1037716466.db2.gz UDSYBJMGRGBJHD-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)c2sc3cccc(C)c3c2Cl)CC1 ZINC000592069499 1037734078 /nfs/dbraw/zinc/73/40/78/1037734078.db2.gz SDANPFRMFBVWFV-UHFFFAOYSA-N 1 0 348.899 4.243 20 30 EIEDRO N#Cc1cnccc1C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000592122383 1037736444 /nfs/dbraw/zinc/73/64/44/1037736444.db2.gz LGSBXBCTVGVNCT-MSOLQXFVSA-N 1 0 345.368 4.398 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1csc(C)c1 ZINC000592186345 1037742951 /nfs/dbraw/zinc/74/29/51/1037742951.db2.gz CNSMDAXRUYBTHC-SFHVURJKSA-N 1 0 341.480 4.044 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000592165703 1037746169 /nfs/dbraw/zinc/74/61/69/1037746169.db2.gz DVWVJANKHQMGNY-UXHICEINSA-N 1 0 328.500 4.165 20 30 EIEDRO CC[C@H](C)Oc1cc(C[NH2+]Cc2ccc(CC#N)cc2)ccc1OC ZINC000592371176 1037777472 /nfs/dbraw/zinc/77/74/72/1037777472.db2.gz ZCUWXARVHQCYMK-INIZCTEOSA-N 1 0 338.451 4.228 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000488849826 1037783403 /nfs/dbraw/zinc/78/34/03/1037783403.db2.gz FGUFZHRNZVUNNF-ZWKOTPCHSA-N 1 0 340.511 4.133 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000592392600 1037785323 /nfs/dbraw/zinc/78/53/23/1037785323.db2.gz SXRSRGQDZWTBTI-BPLDGKMQSA-N 1 0 327.859 4.351 20 30 EIEDRO COc1ccc(Br)cc1C1([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000592391890 1037796013 /nfs/dbraw/zinc/79/60/13/1037796013.db2.gz SLKVBSAXXOIYSL-GXTWGEPZSA-N 1 0 349.272 4.119 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2cccs2)C(CC)CC)CC1 ZINC000592502120 1037821765 /nfs/dbraw/zinc/82/17/65/1037821765.db2.gz HACHBNBSAQUKQE-GOSISDBHSA-N 1 0 349.544 4.175 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc(OC)c1O ZINC000605827389 1037863044 /nfs/dbraw/zinc/86/30/44/1037863044.db2.gz MUEIKOXNXFYBIG-HXUWFJFHSA-N 1 0 337.463 4.240 20 30 EIEDRO Cc1ccc([C@@H](CNc2nc(C)cc(C)c2C#N)[NH+]2CCCC2)cc1 ZINC000489204024 1037893204 /nfs/dbraw/zinc/89/32/04/1037893204.db2.gz GWMSGKLGYHEKSB-HXUWFJFHSA-N 1 0 334.467 4.128 20 30 EIEDRO Cc1cc(C#N)ccc1Oc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000592357221 1037905163 /nfs/dbraw/zinc/90/51/63/1037905163.db2.gz VPMMPKZRLOTNST-KRWDZBQOSA-N 1 0 346.390 4.134 20 30 EIEDRO C[C@@H](CSc1ccccc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000593047216 1037909061 /nfs/dbraw/zinc/90/90/61/1037909061.db2.gz WSHOBTAKRVWWRY-KRWDZBQOSA-N 1 0 332.513 4.200 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](CCOC)c2ccco2)cc1Cl ZINC000503957794 1038050254 /nfs/dbraw/zinc/05/02/54/1038050254.db2.gz AHBYXLCIDXJLAE-INIZCTEOSA-N 1 0 335.831 4.365 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000574277185 1038050906 /nfs/dbraw/zinc/05/09/06/1038050906.db2.gz RZLARAKBBFHHNO-HXUWFJFHSA-N 1 0 335.407 4.218 20 30 EIEDRO C=C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000489479282 1038071915 /nfs/dbraw/zinc/07/19/15/1038071915.db2.gz ONYVAEUQALIIRZ-CYBMUJFWSA-N 1 0 327.255 4.363 20 30 EIEDRO C=C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000489508309 1038093782 /nfs/dbraw/zinc/09/37/82/1038093782.db2.gz JZHVYCMAAKDNFW-CYBMUJFWSA-N 1 0 326.362 4.075 20 30 EIEDRO C=CCC[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000489610349 1038163452 /nfs/dbraw/zinc/16/34/52/1038163452.db2.gz UDHNREGBYCBEKQ-MOPGFXCFSA-N 1 0 342.508 4.217 20 30 EIEDRO COc1cc(Cl)ccc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033333 1038233502 /nfs/dbraw/zinc/23/35/02/1038233502.db2.gz MSUZGTKPDBNTOH-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO COc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1Cl ZINC000594033636 1038247122 /nfs/dbraw/zinc/24/71/22/1038247122.db2.gz WGNFNEQTBNLYEU-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1F ZINC000172671991 1038249726 /nfs/dbraw/zinc/24/97/26/1038249726.db2.gz IHDDZZFRWJZIMI-OAHLLOKOSA-N 1 0 325.431 4.394 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000924849738 1038267886 /nfs/dbraw/zinc/26/78/86/1038267886.db2.gz OBTVQPQHAIEXBY-UONOGXRCSA-N 1 0 328.435 4.299 20 30 EIEDRO C=CCC[N@@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000606897882 1038297667 /nfs/dbraw/zinc/29/76/67/1038297667.db2.gz LQIZMOGQKNHLFR-UHFFFAOYSA-N 1 0 345.870 4.289 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC2(c3cccc(F)c3)CC2)cc1OC ZINC000606913713 1038305336 /nfs/dbraw/zinc/30/53/36/1038305336.db2.gz BALUCNSUXDRJHS-UHFFFAOYSA-N 1 0 341.426 4.221 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000606918804 1038308860 /nfs/dbraw/zinc/30/88/60/1038308860.db2.gz QJLNGFWMDNWQAG-FQEVSTJZSA-N 1 0 343.515 4.211 20 30 EIEDRO CCC[N@H+](CCCC(C)(C)C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490031431 1038310853 /nfs/dbraw/zinc/31/08/53/1038310853.db2.gz IXIJANOCKPOKRY-KRWDZBQOSA-N 1 0 329.488 4.364 20 30 EIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000490092984 1038344540 /nfs/dbraw/zinc/34/45/40/1038344540.db2.gz OMMAZVPMNZWTIG-LJQANCHMSA-N 1 0 328.843 4.226 20 30 EIEDRO COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594495524 1038346099 /nfs/dbraw/zinc/34/60/99/1038346099.db2.gz BBGDAVSMCNENLT-UHFFFAOYSA-N 1 0 328.843 4.440 20 30 EIEDRO C[C@@H](O)C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594498989 1038347262 /nfs/dbraw/zinc/34/72/62/1038347262.db2.gz XNIVNOPMJQGXQL-YLJYHZDGSA-N 1 0 336.479 4.132 20 30 EIEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594506988 1038351078 /nfs/dbraw/zinc/35/10/78/1038351078.db2.gz JHHJYRDSZZMNGE-RXVVDRJESA-N 1 0 334.463 4.390 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000594524612 1038363052 /nfs/dbraw/zinc/36/30/52/1038363052.db2.gz QWHRLBZADGBBSD-HXUWFJFHSA-N 1 0 347.506 4.494 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C1(C)CCCC1 ZINC000490176652 1038372766 /nfs/dbraw/zinc/37/27/66/1038372766.db2.gz QJMNKQLTCRPOHB-OAHLLOKOSA-N 1 0 345.512 4.141 20 30 EIEDRO C=C(Br)C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000168231887 1038377329 /nfs/dbraw/zinc/37/73/29/1038377329.db2.gz SNYZWCWNGJLEBI-UHFFFAOYSA-N 1 0 345.078 4.193 20 30 EIEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000063483236 1038386694 /nfs/dbraw/zinc/38/66/94/1038386694.db2.gz ZWUNKBQUQNZXKZ-FQEVSTJZSA-N 1 0 339.414 4.013 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000594712000 1038390483 /nfs/dbraw/zinc/39/04/83/1038390483.db2.gz OSUVILDIPZVSAY-MLGOLLRUSA-N 1 0 326.362 4.099 20 30 EIEDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594916907 1038425576 /nfs/dbraw/zinc/42/55/76/1038425576.db2.gz CPVSWHCCNVYZAM-AWEZNQCLSA-N 1 0 342.389 4.077 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3cccc(OCC(F)F)c3)cc2)CC1 ZINC000594922439 1038426818 /nfs/dbraw/zinc/42/68/18/1038426818.db2.gz UHIVJOXRCNEBKH-UHFFFAOYSA-N 1 0 342.389 4.175 20 30 EIEDRO CC(C)c1nc(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cs1 ZINC000594923533 1038429463 /nfs/dbraw/zinc/42/94/63/1038429463.db2.gz IKQRZJPIEIIICK-UHFFFAOYSA-N 1 0 325.481 4.154 20 30 EIEDRO N#CC1(c2ccc(CNc3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000594928791 1038430074 /nfs/dbraw/zinc/43/00/74/1038430074.db2.gz ZPSYVYOEZAGSHW-UHFFFAOYSA-N 1 0 331.463 4.450 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@H](c3ccccc3)N3CCCC3)cc2)CC1 ZINC000594922130 1038430617 /nfs/dbraw/zinc/43/06/17/1038430617.db2.gz HNNLCNJURNLDDU-JOCHJYFZSA-N 1 0 345.490 4.168 20 30 EIEDRO CSc1ccc(F)cc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594929895 1038434662 /nfs/dbraw/zinc/43/46/62/1038434662.db2.gz PLQRUPZGJATMGX-UHFFFAOYSA-N 1 0 326.440 4.393 20 30 EIEDRO C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594973652 1038484669 /nfs/dbraw/zinc/48/46/69/1038484669.db2.gz OZWMSELMWIJPSK-AWEZNQCLSA-N 1 0 342.389 4.077 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)c1 ZINC000608069681 1038485083 /nfs/dbraw/zinc/48/50/83/1038485083.db2.gz DRVUCZWPFMZIAN-OAQYLSRUSA-N 1 0 347.462 4.059 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3SCCc4ccccc43)cc2)CC1 ZINC000594937407 1038494698 /nfs/dbraw/zinc/49/46/98/1038494698.db2.gz KUAIOTYZTIIBMZ-HXUWFJFHSA-N 1 0 334.488 4.362 20 30 EIEDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594935438 1038494770 /nfs/dbraw/zinc/49/47/70/1038494770.db2.gz PGLSIVMGNHOKJS-FOIQADDNSA-N 1 0 338.426 4.247 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)cc2)CC1 ZINC000594934413 1038494793 /nfs/dbraw/zinc/49/47/93/1038494793.db2.gz GOFLNHNMAVZKKW-CTNGQTDRSA-N 1 0 332.447 4.109 20 30 EIEDRO COC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)cc1 ZINC000594940232 1038506458 /nfs/dbraw/zinc/50/64/58/1038506458.db2.gz XNSMAKXGBRFTGH-IBGZPJMESA-N 1 0 340.854 4.372 20 30 EIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000594941913 1038510531 /nfs/dbraw/zinc/51/05/31/1038510531.db2.gz CCKXTNFPDRFVEV-PMACEKPBSA-N 1 0 326.484 4.315 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(OC2CC2)c1F ZINC000594950463 1038517766 /nfs/dbraw/zinc/51/77/66/1038517766.db2.gz LWXBHLOTEMZNQN-IBGZPJMESA-N 1 0 336.410 4.406 20 30 EIEDRO C=CCCSCC[NH2+]Cc1cc(-c2ccncc2)ccc1OC ZINC000594960622 1038538190 /nfs/dbraw/zinc/53/81/90/1038538190.db2.gz WPEUNUNAERAVTI-UHFFFAOYSA-N 1 0 328.481 4.156 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(OCC(F)F)cc1)c1cccc(C#N)c1 ZINC000594968594 1038548515 /nfs/dbraw/zinc/54/85/15/1038548515.db2.gz JOMWHVDJRDSXKG-UHFFFAOYSA-N 1 0 330.378 4.227 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(-c2ccccc2)cc1OC ZINC000424187154 1038727946 /nfs/dbraw/zinc/72/79/46/1038727946.db2.gz ADUOJXJTSSFHJY-MAUKXSAKSA-N 1 0 336.435 4.153 20 30 EIEDRO CCCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1OCC ZINC000424194772 1038733788 /nfs/dbraw/zinc/73/37/88/1038733788.db2.gz LZCKXLQBPZTEQH-DZGCQCFKSA-N 1 0 336.863 4.309 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000424293630 1038770873 /nfs/dbraw/zinc/77/08/73/1038770873.db2.gz IZWMKPGMRQTZCO-PVUWLOKVSA-N 1 0 346.471 4.499 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000424292966 1038772319 /nfs/dbraw/zinc/77/23/19/1038772319.db2.gz HVCWMIVEEAKKAC-IMJJTQAJSA-N 1 0 345.430 4.290 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(OCC)c(OCC)c1 ZINC000424300928 1038778511 /nfs/dbraw/zinc/77/85/11/1038778511.db2.gz YSPUEWKBMMIBGK-BZSNNMDCSA-N 1 0 333.472 4.116 20 30 EIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)COC2)C(C)C ZINC000480759743 1038800111 /nfs/dbraw/zinc/80/01/11/1038800111.db2.gz PZCFTEWGTMOISN-UWJYYQICSA-N 1 0 328.500 4.066 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000424327529 1038807583 /nfs/dbraw/zinc/80/75/83/1038807583.db2.gz MTBSWEZSYOQMMM-WNMQOVRZSA-N 1 0 337.236 4.321 20 30 EIEDRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424326962 1038808083 /nfs/dbraw/zinc/80/80/83/1038808083.db2.gz MHGBVEDBXYGTAW-RRQGHBQHSA-N 1 0 325.481 4.385 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000554987992 1038812663 /nfs/dbraw/zinc/81/26/63/1038812663.db2.gz HTNFZHFSPMATIV-KUHUBIRLSA-N 1 0 336.435 4.222 20 30 EIEDRO COc1cc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)ccc1C#N ZINC000554981596 1038816606 /nfs/dbraw/zinc/81/66/06/1038816606.db2.gz DQUHLCUIVIDWPH-UHFFFAOYSA-N 1 0 338.304 4.015 20 30 EIEDRO C=C[C@H](CC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)c1ccccc1 ZINC000119259444 1038872791 /nfs/dbraw/zinc/87/27/91/1038872791.db2.gz RNMPDLUUKJOPJD-MJGOQNOKSA-N 1 0 340.467 4.139 20 30 EIEDRO CC(C)[NH+]1CCC(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000462022643 1038874614 /nfs/dbraw/zinc/87/46/14/1038874614.db2.gz KEBYEWGJLXOGPM-UHFFFAOYSA-N 1 0 346.474 4.145 20 30 EIEDRO Cc1ccc2[nH+]ccc(N3CCC(Oc4cccc(C#N)c4)CC3)c2c1 ZINC000555123502 1038888002 /nfs/dbraw/zinc/88/80/02/1038888002.db2.gz JRFAMUCBBINZMP-UHFFFAOYSA-N 1 0 343.430 4.463 20 30 EIEDRO N#C[C@H]1CCC[C@H]1[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000462068891 1038889187 /nfs/dbraw/zinc/88/91/87/1038889187.db2.gz XFXVBUMCGGPUFD-DYESRHJHSA-N 1 0 340.417 4.400 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000505036838 1038910160 /nfs/dbraw/zinc/91/01/60/1038910160.db2.gz ZYOBIAUWLAXFNB-SJORKVTESA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000505035573 1038911863 /nfs/dbraw/zinc/91/18/63/1038911863.db2.gz NTOZBNBMKFWVPH-IAGOWNOFSA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000505057842 1038928572 /nfs/dbraw/zinc/92/85/72/1038928572.db2.gz MHSXDEDTSOAFER-QGZVFWFLSA-N 1 0 329.488 4.001 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCC1CC[NH+](CCC)CC1 ZINC000505059704 1038931252 /nfs/dbraw/zinc/93/12/52/1038931252.db2.gz AQDGMVRXHUXNAM-UHFFFAOYSA-N 1 0 329.488 4.049 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000505062092 1038941332 /nfs/dbraw/zinc/94/13/32/1038941332.db2.gz PKOCERGCJOAGOC-UHFFFAOYSA-N 1 0 329.488 4.191 20 30 EIEDRO CC(C)C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000539297616 1038945070 /nfs/dbraw/zinc/94/50/70/1038945070.db2.gz LTZRZIAMCGLMPJ-IEBWSBKVSA-N 1 0 349.906 4.071 20 30 EIEDRO CC[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CC[C@@H]1c1ccccc1 ZINC000537619936 1038958802 /nfs/dbraw/zinc/95/88/02/1038958802.db2.gz NJZVXIIREPACDR-RXVVDRJESA-N 1 0 344.462 4.222 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539305759 1038969661 /nfs/dbraw/zinc/96/96/61/1038969661.db2.gz OMTMVJVPBOYTCW-OXJNMPFZSA-N 1 0 343.442 4.382 20 30 EIEDRO COc1ccc([C@@H](C)CC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000174507470 1038980529 /nfs/dbraw/zinc/98/05/29/1038980529.db2.gz MESONMKJMDHJMV-IRXDYDNUSA-N 1 0 338.451 4.269 20 30 EIEDRO Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2)cc1 ZINC000174589136 1039001219 /nfs/dbraw/zinc/00/12/19/1039001219.db2.gz UWAMZLQBGAXSFU-ICSRJNTNSA-N 1 0 349.478 4.045 20 30 EIEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC000455991974 1039034255 /nfs/dbraw/zinc/03/42/55/1039034255.db2.gz FVOPTFLXKGIHIH-UHFFFAOYSA-N 1 0 349.478 4.136 20 30 EIEDRO COc1cc(CCC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc(OC)c1 ZINC000555300476 1039037907 /nfs/dbraw/zinc/03/79/07/1039037907.db2.gz KKKDHQOWWNBMLL-RBUKOAKNSA-N 1 0 342.483 4.041 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000424767429 1039076758 /nfs/dbraw/zinc/07/67/58/1039076758.db2.gz LBJLHDCVQUEZSC-IEBWSBKVSA-N 1 0 328.500 4.006 20 30 EIEDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481185026 1039087090 /nfs/dbraw/zinc/08/70/90/1039087090.db2.gz CKMGQDIACRERSI-MAUKXSAKSA-N 1 0 347.890 4.145 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000424823073 1039119036 /nfs/dbraw/zinc/11/90/36/1039119036.db2.gz CLLPTBJYNLPAFI-LJQANCHMSA-N 1 0 328.500 4.007 20 30 EIEDRO CN(CC1=Cc2cc(Cl)cc(Cl)c2OC1)CC(C)(C)C#N ZINC000552085957 1039133298 /nfs/dbraw/zinc/13/32/98/1039133298.db2.gz SWGIJJJTZVNALR-UHFFFAOYSA-N 1 0 325.239 4.251 20 30 EIEDRO C=CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456287265 1039233767 /nfs/dbraw/zinc/23/37/67/1039233767.db2.gz VYYHMQHBKMOMPQ-LJQANCHMSA-N 1 0 336.435 4.053 20 30 EIEDRO C=CCSc1ccccc1C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000899559207 1039337609 /nfs/dbraw/zinc/33/76/09/1039337609.db2.gz NBXKPUKCLGAMFF-UHFFFAOYSA-N 1 0 344.524 4.055 20 30 EIEDRO C/C=C\C[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600212206 1039376264 /nfs/dbraw/zinc/37/62/64/1039376264.db2.gz CUQHCNMIPYPKHP-LHRDXKRPSA-N 1 0 349.482 4.037 20 30 EIEDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213338 1039384808 /nfs/dbraw/zinc/38/48/08/1039384808.db2.gz UJLQMLPRBBRHAU-FOWTUZBSSA-N 1 0 347.418 4.122 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000491227613 1039438212 /nfs/dbraw/zinc/43/82/12/1039438212.db2.gz GJOZSYGUNNHHKS-IBGZPJMESA-N 1 0 336.483 4.359 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000481517872 1039534960 /nfs/dbraw/zinc/53/49/60/1039534960.db2.gz PYINDPCSLRQCDU-KPZWWZAWSA-N 1 0 332.806 4.217 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000481517875 1039535779 /nfs/dbraw/zinc/53/57/79/1039535779.db2.gz PYINDPCSLRQCDU-KZULUSFZSA-N 1 0 332.806 4.217 20 30 EIEDRO CC(C)(C)OC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000092454154 1039546118 /nfs/dbraw/zinc/54/61/18/1039546118.db2.gz UAPPUIZHSSJFHV-UHFFFAOYSA-N 1 0 330.472 4.149 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(-c2ccccc2)n1 ZINC000092485442 1039548924 /nfs/dbraw/zinc/54/89/24/1039548924.db2.gz JLRCURYZBDVAFZ-PXNSSMCTSA-N 1 0 334.467 4.228 20 30 EIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OCCCC#N)c1 ZINC000092504355 1039560353 /nfs/dbraw/zinc/56/03/53/1039560353.db2.gz HAZZIALWPSONCB-UHFFFAOYSA-N 1 0 345.446 4.429 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)c(-c2ccccc2)n1 ZINC000092780808 1039586542 /nfs/dbraw/zinc/58/65/42/1039586542.db2.gz RTZCPZQBQHISSL-HXUWFJFHSA-N 1 0 334.467 4.228 20 30 EIEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093324679 1039660509 /nfs/dbraw/zinc/66/05/09/1039660509.db2.gz LZBWUEKEBBOCQG-QGZVFWFLSA-N 1 0 338.451 4.138 20 30 EIEDRO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)cc1OC ZINC000093315802 1039663482 /nfs/dbraw/zinc/66/34/82/1039663482.db2.gz LHBVBXZJOWUPOU-HNNXBMFYSA-N 1 0 327.424 4.159 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000481670227 1039709893 /nfs/dbraw/zinc/70/98/93/1039709893.db2.gz WLUDHKYSVBEXQN-IRLDBZIGSA-N 1 0 334.463 4.082 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)[C@@H]1COc2ccccc21 ZINC000481677158 1039731757 /nfs/dbraw/zinc/73/17/57/1039731757.db2.gz KUZJTMNXWDQUJS-ONGXBYRLSA-N 1 0 332.447 4.480 20 30 EIEDRO COc1ccc(Oc2cc(C[NH2+][C@H](C)CC(C)(C)C#N)ccn2)cc1 ZINC000924705946 1039744491 /nfs/dbraw/zinc/74/44/91/1039744491.db2.gz CUSWYGDKVBYQMI-OAHLLOKOSA-N 1 0 339.439 4.300 20 30 EIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000434711219 1039820483 /nfs/dbraw/zinc/82/04/83/1039820483.db2.gz MYNSHGGEJORWGS-HXUWFJFHSA-N 1 0 333.435 4.032 20 30 EIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000534915387 1039842709 /nfs/dbraw/zinc/84/27/09/1039842709.db2.gz MWYJNQGOHVHOFT-HNNXBMFYSA-N 1 0 326.415 4.017 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000442689440 1039878829 /nfs/dbraw/zinc/87/88/29/1039878829.db2.gz OSLOAZINJFWYKB-HNAYVOBHSA-N 1 0 336.410 4.353 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000442692101 1039880449 /nfs/dbraw/zinc/88/04/49/1039880449.db2.gz MXXKDAWUQOQFHJ-UYAOXDASSA-N 1 0 325.500 4.207 20 30 EIEDRO C=C(C)CN(CC)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514438265 1039892189 /nfs/dbraw/zinc/89/21/89/1039892189.db2.gz PSJRZWOKUJOGBH-QGZVFWFLSA-N 1 0 349.544 4.129 20 30 EIEDRO Cc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)c2ccccc2[nH+]1 ZINC000505558975 1039899182 /nfs/dbraw/zinc/89/91/82/1039899182.db2.gz HKWIDXBHTJRFNR-UHFFFAOYSA-N 1 0 343.430 4.463 20 30 EIEDRO Clc1ccc(C#CC[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000434903519 1039918122 /nfs/dbraw/zinc/91/81/22/1039918122.db2.gz BAEVJXGREVFCBR-UHFFFAOYSA-N 1 0 331.887 4.363 20 30 EIEDRO C=CCC[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000123240253 1039965953 /nfs/dbraw/zinc/96/59/53/1039965953.db2.gz SCJPHHDRLINUAA-UUKMXZOPSA-N 1 0 343.515 4.114 20 30 EIEDRO C=C(C)[C@H](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)OCC ZINC000535138782 1039994484 /nfs/dbraw/zinc/99/44/84/1039994484.db2.gz SBNXWNROFVDIEY-XLIONFOSSA-N 1 0 344.499 4.228 20 30 EIEDRO CSc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000551219110 1040075059 /nfs/dbraw/zinc/07/50/59/1040075059.db2.gz QJLNKZJJBSLAQA-UHFFFAOYSA-N 1 0 337.492 4.039 20 30 EIEDRO CC(C)(C[NH2+]Cc1c(F)cccc1OC(F)(F)F)C(F)(F)F ZINC000551237075 1040085549 /nfs/dbraw/zinc/08/55/49/1040085549.db2.gz KQZYLUWDCKEZBE-UHFFFAOYSA-N 1 0 333.247 4.402 20 30 EIEDRO C[NH+](C)[C@H](CNc1ccc(C#N)cc1C(F)(F)F)Cc1ccccc1 ZINC000535261003 1040100676 /nfs/dbraw/zinc/10/06/76/1040100676.db2.gz JDNNUBBPFFMRKD-INIZCTEOSA-N 1 0 347.384 4.162 20 30 EIEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000514801700 1040246681 /nfs/dbraw/zinc/24/66/81/1040246681.db2.gz YIVPHMANSIRVFF-UONOGXRCSA-N 1 0 338.282 4.198 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000482508156 1040309309 /nfs/dbraw/zinc/30/93/09/1040309309.db2.gz LFPMXVQCDXZXPQ-UKRRQHHQSA-N 1 0 343.389 4.423 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000425363898 1040334809 /nfs/dbraw/zinc/33/48/09/1040334809.db2.gz DGSULNHLYMCPOK-CQSZACIVSA-N 1 0 330.378 4.395 20 30 EIEDRO CCN(CC)c1ncc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425364101 1040334975 /nfs/dbraw/zinc/33/49/75/1040334975.db2.gz FCSZQQPYYGJTHL-AWEZNQCLSA-N 1 0 328.485 4.054 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000425366703 1040340251 /nfs/dbraw/zinc/34/02/51/1040340251.db2.gz QKVNIJDMECDJRU-OAHLLOKOSA-N 1 0 336.435 4.396 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000482637606 1040410616 /nfs/dbraw/zinc/41/06/16/1040410616.db2.gz BUCZZFXQGUDCKW-SFHVURJKSA-N 1 0 335.495 4.440 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551560307 1040411111 /nfs/dbraw/zinc/41/11/11/1040411111.db2.gz RMQXTCDVSJCXCW-GHTZIAJQSA-N 1 0 345.490 4.048 20 30 EIEDRO C[C@H](NCc1ccccc1C#N)c1cccc(OCc2ccccn2)c1 ZINC000160340289 1040464534 /nfs/dbraw/zinc/46/45/34/1040464534.db2.gz WAMFUMLPUYBCHV-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO CC(C)CCC[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539497963 1040488729 /nfs/dbraw/zinc/48/87/29/1040488729.db2.gz AVOFYEKMAKLGNL-SFHVURJKSA-N 1 0 327.516 4.327 20 30 EIEDRO C[C@H]([NH2+]CCc1cc(Br)ccc1F)c1ccc(C#N)cc1 ZINC000539499264 1040489234 /nfs/dbraw/zinc/48/92/34/1040489234.db2.gz FFRRWNYSBAGKFY-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(F)cc1F ZINC000174653330 1040493452 /nfs/dbraw/zinc/49/34/52/1040493452.db2.gz LIAFUWGVXLOYEU-HNNXBMFYSA-N 1 0 343.421 4.208 20 30 EIEDRO CC[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc(C#N)s1 ZINC000539522108 1040507088 /nfs/dbraw/zinc/50/70/88/1040507088.db2.gz YFFGOTFIJAXSQN-CYBMUJFWSA-N 1 0 349.297 4.493 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000435663020 1040515168 /nfs/dbraw/zinc/51/51/68/1040515168.db2.gz GVMMJSNWZXCDDG-VMRPVKRXSA-N 1 0 325.452 4.480 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000482869762 1040528581 /nfs/dbraw/zinc/52/85/81/1040528581.db2.gz SYCKVQBIBFSKSO-OAHLLOKOSA-N 1 0 328.431 4.307 20 30 EIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(C)(C)C#N)[C@@H]2CCCC[C@@H]12 ZINC000539569784 1040565983 /nfs/dbraw/zinc/56/59/83/1040565983.db2.gz KGDPAEQDRCVIIM-LTFXXXRZSA-N 1 0 347.547 4.110 20 30 EIEDRO CC(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551803007 1040594783 /nfs/dbraw/zinc/59/47/83/1040594783.db2.gz CTEPJYAWSKJIBK-KNQAVFIVSA-N 1 0 344.462 4.255 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000435742383 1040596062 /nfs/dbraw/zinc/59/60/62/1040596062.db2.gz UOSHLNZHBDNOML-DOMZBBRYSA-N 1 0 344.680 4.173 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000551789470 1040603741 /nfs/dbraw/zinc/60/37/41/1040603741.db2.gz OMKMEHQFJKFMBH-JQFCIGGWSA-N 1 0 327.390 4.116 20 30 EIEDRO C[C@@H]([NH2+]CCCCOCCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539609777 1040609956 /nfs/dbraw/zinc/60/99/56/1040609956.db2.gz MPUFPZVWOQDQEV-QGZVFWFLSA-N 1 0 340.442 4.387 20 30 EIEDRO Cc1cc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)ccc1C#N ZINC000553908073 1040624454 /nfs/dbraw/zinc/62/44/54/1040624454.db2.gz TYJKBMLWRCRXMF-UHFFFAOYSA-N 1 0 338.426 4.187 20 30 EIEDRO C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(C#N)cc1Br ZINC000470950915 1040752180 /nfs/dbraw/zinc/75/21/80/1040752180.db2.gz ZMTURWNNTHWPGS-JOYOIKCWSA-N 1 0 347.178 4.093 20 30 EIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)ccc1F ZINC000160796364 1040756671 /nfs/dbraw/zinc/75/66/71/1040756671.db2.gz VVPYGONSNRPYGF-OAHLLOKOSA-N 1 0 335.382 4.218 20 30 EIEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483293226 1040800569 /nfs/dbraw/zinc/80/05/69/1040800569.db2.gz IBVSEVPKTYFVJN-UGSOOPFHSA-N 1 0 347.384 4.499 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)Oc2ccc(C)cc2)cc1OC ZINC000462734616 1040879444 /nfs/dbraw/zinc/87/94/44/1040879444.db2.gz JNLDAAYSKUNEKZ-KRWDZBQOSA-N 1 0 341.451 4.126 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1F ZINC000483559136 1040894385 /nfs/dbraw/zinc/89/43/85/1040894385.db2.gz ZGBATZFYGWOWKP-LJQANCHMSA-N 1 0 342.389 4.018 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)ccc1OC ZINC000462768063 1040902533 /nfs/dbraw/zinc/90/25/33/1040902533.db2.gz UPXFPOMJSBQFSZ-PMACEKPBSA-N 1 0 337.463 4.371 20 30 EIEDRO CCOc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1OC ZINC000539923841 1040905136 /nfs/dbraw/zinc/90/51/36/1040905136.db2.gz JDKOCFOPXFKDOH-UHFFFAOYSA-N 1 0 348.446 4.255 20 30 EIEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539972960 1040951950 /nfs/dbraw/zinc/95/19/50/1040951950.db2.gz CBOPXRUTQRORGF-OLZOCXBDSA-N 1 0 348.899 4.410 20 30 EIEDRO CC[N@H+](CCC1CCN(c2ccc(Cl)c(C#N)n2)CC1)CC(C)C ZINC000538007073 1040984601 /nfs/dbraw/zinc/98/46/01/1040984601.db2.gz SFOSMSZSOIWEJY-UHFFFAOYSA-N 1 0 348.922 4.191 20 30 EIEDRO Oc1cccc2c1CCC[C@H]2[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000462814761 1040986006 /nfs/dbraw/zinc/98/60/06/1040986006.db2.gz PWDURAWMGKHSQD-GOSISDBHSA-N 1 0 345.364 4.430 20 30 EIEDRO C[C@H](C1CC1)[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000505779162 1040996066 /nfs/dbraw/zinc/99/60/66/1040996066.db2.gz YNQGDITXYVLMQJ-MRXNPFEDSA-N 1 0 330.435 4.007 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000462818898 1040997617 /nfs/dbraw/zinc/99/76/17/1040997617.db2.gz LGUZJWPCFQCHNV-QIJZBDPFSA-N 1 0 333.273 4.367 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000462818899 1040999092 /nfs/dbraw/zinc/99/90/92/1040999092.db2.gz LGUZJWPCFQCHNV-SDNTUTLCSA-N 1 0 333.273 4.367 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540048352 1041052547 /nfs/dbraw/zinc/05/25/47/1041052547.db2.gz VZSOUOJKPOLLHZ-MRXNPFEDSA-N 1 0 346.430 4.180 20 30 EIEDRO COCCC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000546766596 1041061267 /nfs/dbraw/zinc/06/12/67/1041061267.db2.gz WANDMDZEJOLRLP-UHFFFAOYSA-N 1 0 338.451 4.042 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC000436295803 1041063139 /nfs/dbraw/zinc/06/31/39/1041063139.db2.gz HQBZEAFFWUYAEV-IZIJYRQQSA-N 1 0 329.484 4.292 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000436308463 1041066244 /nfs/dbraw/zinc/06/62/44/1041066244.db2.gz PTOTYIKNOFKBRA-MMOPVJDHSA-N 1 0 344.499 4.098 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000436308460 1041066766 /nfs/dbraw/zinc/06/67/66/1041066766.db2.gz PTOTYIKNOFKBRA-BLIXFSHQSA-N 1 0 344.499 4.098 20 30 EIEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000483967050 1041078437 /nfs/dbraw/zinc/07/84/37/1041078437.db2.gz PZFGLKZRCPQFDO-GOSISDBHSA-N 1 0 336.504 4.253 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000436313843 1041082207 /nfs/dbraw/zinc/08/22/07/1041082207.db2.gz MGXYVYOZISPVAS-XYPHTWIQSA-N 1 0 341.373 4.143 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000436319178 1041088405 /nfs/dbraw/zinc/08/84/05/1041088405.db2.gz ZMFWGTXEDDEXRU-CGEFAEBTSA-N 1 0 325.905 4.464 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000436310438 1041097414 /nfs/dbraw/zinc/09/74/14/1041097414.db2.gz UTHDRAZXVWCEEV-ZOCZFRKYSA-N 1 0 325.452 4.480 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000538149198 1041113885 /nfs/dbraw/zinc/11/38/85/1041113885.db2.gz MWDNNSDMNINRSX-CYBMUJFWSA-N 1 0 326.282 4.027 20 30 EIEDRO N#Cc1cccc(Cl)c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000462922361 1041116626 /nfs/dbraw/zinc/11/66/26/1041116626.db2.gz HRQMZBOUBURPAA-UHFFFAOYSA-N 1 0 325.843 4.420 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000484090228 1041117335 /nfs/dbraw/zinc/11/73/35/1041117335.db2.gz APZZKKRVJKYPQI-KPZWWZAWSA-N 1 0 332.806 4.217 20 30 EIEDRO Brc1ccc(C2([NH2+]CC#Cc3ccccc3)CC2)cc1 ZINC000484085107 1041119303 /nfs/dbraw/zinc/11/93/03/1041119303.db2.gz WEQZERBHINWTGN-UHFFFAOYSA-N 1 0 326.237 4.080 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000538194304 1041161006 /nfs/dbraw/zinc/16/10/06/1041161006.db2.gz JUGFIPJBRNTNAS-KBPBESRZSA-N 1 0 346.452 4.159 20 30 EIEDRO CCc1ccc([C@@H](CO)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000540139452 1041184575 /nfs/dbraw/zinc/18/45/75/1041184575.db2.gz UQUOQLSLCFGZDL-OOMBGRCJSA-N 1 0 348.490 4.276 20 30 EIEDRO CC[N@H+](CCCSCC#N)CCc1ccc(C(F)(F)F)cc1 ZINC000425555049 1041242022 /nfs/dbraw/zinc/24/20/22/1041242022.db2.gz YHRLYJYGHOQTDF-UHFFFAOYSA-N 1 0 330.419 4.217 20 30 EIEDRO C[NH+](C)CC[C@@H](c1ccc(NCCCCC#N)cc1)c1ccccn1 ZINC001168433657 1041263580 /nfs/dbraw/zinc/26/35/80/1041263580.db2.gz GPTMTTSZGHRAGQ-FQEVSTJZSA-N 1 0 336.483 4.271 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)c(OCCCC(C)C)c1 ZINC000480398348 1041268462 /nfs/dbraw/zinc/26/84/62/1041268462.db2.gz WJMHIPPWHNDYPW-UHFFFAOYSA-N 1 0 339.483 4.310 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)c1 ZINC000463073441 1041318566 /nfs/dbraw/zinc/31/85/66/1041318566.db2.gz VVMLOEMUHJCOCK-UGKGYDQZSA-N 1 0 332.447 4.205 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000540290153 1041357807 /nfs/dbraw/zinc/35/78/07/1041357807.db2.gz GLZLWVZAMUHRJU-CZUORRHYSA-N 1 0 327.378 4.084 20 30 EIEDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)c1 ZINC000540333685 1041379595 /nfs/dbraw/zinc/37/95/95/1041379595.db2.gz VTUGKAWRQBSQII-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538507300 1041394446 /nfs/dbraw/zinc/39/44/46/1041394446.db2.gz UTOPPFCBVHEJPQ-RRQGHBQHSA-N 1 0 327.390 4.116 20 30 EIEDRO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc(C#N)c(F)c1 ZINC000538507863 1041396190 /nfs/dbraw/zinc/39/61/90/1041396190.db2.gz IKQCXLDOSHJTGO-GFCCVEGCSA-N 1 0 331.460 4.345 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc(C#N)c(F)c1 ZINC000538508234 1041396219 /nfs/dbraw/zinc/39/62/19/1041396219.db2.gz CZTHBXACEFXAIG-OAHLLOKOSA-N 1 0 349.409 4.365 20 30 EIEDRO C=CCC1(C(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)CCC1 ZINC000480576869 1041405916 /nfs/dbraw/zinc/40/59/16/1041405916.db2.gz GZRYABYPDRDOQH-UHFFFAOYSA-N 1 0 332.532 4.093 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000540393127 1041425461 /nfs/dbraw/zinc/42/54/61/1041425461.db2.gz FAHKXWQVMQLEID-KBPBESRZSA-N 1 0 335.394 4.276 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000924667859 1041430987 /nfs/dbraw/zinc/43/09/87/1041430987.db2.gz POSUFQUVIJITGZ-MRXNPFEDSA-N 1 0 335.451 4.357 20 30 EIEDRO C=CCNC(=O)C[NH2+][C@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000538581472 1041432377 /nfs/dbraw/zinc/43/23/77/1041432377.db2.gz PRIHJMMEHAKOFL-GFCCVEGCSA-N 1 0 334.872 4.021 20 30 EIEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1Br ZINC000463237534 1041444857 /nfs/dbraw/zinc/44/48/57/1041444857.db2.gz WGLOSTDJRRJDPK-KBPBESRZSA-N 1 0 335.289 4.399 20 30 EIEDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000463237233 1041445297 /nfs/dbraw/zinc/44/52/97/1041445297.db2.gz LIRXBWNZEKSVBC-OPYAIIAOSA-N 1 0 339.527 4.185 20 30 EIEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000463280244 1041470244 /nfs/dbraw/zinc/47/02/44/1041470244.db2.gz CRXFTBLMUOQBNX-CJNGLKHVSA-N 1 0 335.289 4.399 20 30 EIEDRO CCCC[C@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540594065 1041551216 /nfs/dbraw/zinc/55/12/16/1041551216.db2.gz DGMXZECBYKSOJY-RBBKRZOGSA-N 1 0 339.527 4.471 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1cccc(C#N)c1 ZINC000540605416 1041558138 /nfs/dbraw/zinc/55/81/38/1041558138.db2.gz DKPSCDMEIZEVJT-CYBMUJFWSA-N 1 0 334.341 4.350 20 30 EIEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1(C)C ZINC000540609755 1041562655 /nfs/dbraw/zinc/56/26/55/1041562655.db2.gz ZHIWDEUDQKYIDG-WJXBRQKSSA-N 1 0 326.484 4.040 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)cc1 ZINC000538879368 1041572261 /nfs/dbraw/zinc/57/22/61/1041572261.db2.gz QJOBKEWYWCJFMP-MGPUTAFESA-N 1 0 329.415 4.256 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc(C#N)c(F)c1 ZINC000540706732 1041606785 /nfs/dbraw/zinc/60/67/85/1041606785.db2.gz GLGQDSBAMGNAOR-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO CCCOc1cccc(CC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000540707503 1041606868 /nfs/dbraw/zinc/60/68/68/1041606868.db2.gz GFOUAWCLAUIBRG-OAHLLOKOSA-N 1 0 326.415 4.379 20 30 EIEDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000540708104 1041608089 /nfs/dbraw/zinc/60/80/89/1041608089.db2.gz SDAJKMWISKLRBJ-SVIJTADQSA-N 1 0 342.389 4.407 20 30 EIEDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c(Cl)c1 ZINC000540708515 1041608126 /nfs/dbraw/zinc/60/81/26/1041608126.db2.gz XNQCLGKHVVWUFW-LBPRGKRZSA-N 1 0 332.806 4.253 20 30 EIEDRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437083195 1041630171 /nfs/dbraw/zinc/63/01/71/1041630171.db2.gz GHYAQXLYSRUADY-RXQRSOPUSA-N 1 0 327.472 4.202 20 30 EIEDRO COc1cnccc1[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000437087525 1041647748 /nfs/dbraw/zinc/64/77/48/1041647748.db2.gz ONMDEPUQFARGSQ-AFJQURTJSA-N 1 0 335.451 4.145 20 30 EIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000463570847 1041650887 /nfs/dbraw/zinc/65/08/87/1041650887.db2.gz XWEIAXYFEJVQBD-KBXCAEBGSA-N 1 0 338.426 4.477 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437108879 1041652807 /nfs/dbraw/zinc/65/28/07/1041652807.db2.gz OZYFDEYMSOPGPU-LMDPOFIKSA-N 1 0 327.472 4.368 20 30 EIEDRO CC1(C)CCC[C@](O)(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000437109336 1041653114 /nfs/dbraw/zinc/65/31/14/1041653114.db2.gz IBWYWRPIKNRISN-KITAHSCOSA-N 1 0 340.511 4.311 20 30 EIEDRO CC[N@H+](CCCn1c2ccccc2[nH]c1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000540822180 1041690414 /nfs/dbraw/zinc/69/04/14/1041690414.db2.gz UIKIVAQRLRHAPD-INIZCTEOSA-N 1 0 348.450 4.087 20 30 EIEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C[C@H]1C ZINC000463743967 1041732925 /nfs/dbraw/zinc/73/29/25/1041732925.db2.gz JCZOGDYVNMBVBM-CTFRIIQPSA-N 1 0 327.472 4.058 20 30 EIEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000540983096 1041765582 /nfs/dbraw/zinc/76/55/82/1041765582.db2.gz SYHFTYVLAQAXEI-IFMALSPDSA-N 1 0 339.527 4.327 20 30 EIEDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437425134 1041798034 /nfs/dbraw/zinc/79/80/34/1041798034.db2.gz GHKKXXNTROPVDN-LBPRGKRZSA-N 1 0 334.341 4.492 20 30 EIEDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1ccc(C#N)cc1F ZINC000506050726 1041804528 /nfs/dbraw/zinc/80/45/28/1041804528.db2.gz FWWAPISGQGAVLU-UHFFFAOYSA-N 1 0 345.487 4.103 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)c(C(F)(F)F)c1 ZINC000516898989 1041806453 /nfs/dbraw/zinc/80/64/53/1041806453.db2.gz RFCLVXOASSHOCY-MRXNPFEDSA-N 1 0 332.325 4.060 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CC[C@@H]2CCOC2)Cc2cccc(F)c2)cc1 ZINC000437594194 1041846758 /nfs/dbraw/zinc/84/67/58/1041846758.db2.gz VVJRFTKGCQNVQX-LJQANCHMSA-N 1 0 338.426 4.126 20 30 EIEDRO CCN(Cc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000517124588 1041877091 /nfs/dbraw/zinc/87/70/91/1041877091.db2.gz MDINRBMOCMKHIF-XMSQKQJNSA-N 1 0 333.479 4.216 20 30 EIEDRO C[N@H+](Cc1ccco1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000506112350 1041889049 /nfs/dbraw/zinc/88/90/49/1041889049.db2.gz KGXHUYJJSFGCLA-UHFFFAOYSA-N 1 0 332.403 4.362 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000541348532 1041899652 /nfs/dbraw/zinc/89/96/52/1041899652.db2.gz QIBVSGZNJZAJIH-RTBURBONSA-N 1 0 342.483 4.270 20 30 EIEDRO Cc1cccc(COc2ccc(CNCc3nc(C#N)cs3)cc2)c1 ZINC000517264869 1041933800 /nfs/dbraw/zinc/93/38/00/1041933800.db2.gz APYRIMKCFPRTLM-UHFFFAOYSA-N 1 0 349.459 4.192 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549996669 1041972446 /nfs/dbraw/zinc/97/24/46/1041972446.db2.gz IFUDRGZLVKUIAU-UAFONNFLSA-N 1 0 349.881 4.285 20 30 EIEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000438068125 1042037974 /nfs/dbraw/zinc/03/79/74/1042037974.db2.gz RASPABWKOOLIFQ-NRFANRHFSA-N 1 0 344.499 4.086 20 30 EIEDRO N#Cc1cccc(C2CC[NH+]([C@H]3CCc4cc(F)ccc4C3)CC2)c1 ZINC001168438683 1042052104 /nfs/dbraw/zinc/05/21/04/1042052104.db2.gz NKRNYTROXZKILL-QFIPXVFZSA-N 1 0 334.438 4.434 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000541659117 1042060815 /nfs/dbraw/zinc/06/08/15/1042060815.db2.gz WDSROGRLTMJIGL-CQSZACIVSA-N 1 0 343.496 4.432 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700914 1042076480 /nfs/dbraw/zinc/07/64/80/1042076480.db2.gz GWZPBSAZWKIKSP-RBUKOAKNSA-N 1 0 342.389 4.189 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000464645796 1042095781 /nfs/dbraw/zinc/09/57/81/1042095781.db2.gz FQNUKTJUGIKFCU-GOSISDBHSA-N 1 0 328.500 4.137 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000464656887 1042109807 /nfs/dbraw/zinc/10/98/07/1042109807.db2.gz QGXLSBCSZHHZDI-ZWKOTPCHSA-N 1 0 328.500 4.137 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000464658534 1042111141 /nfs/dbraw/zinc/11/11/41/1042111141.db2.gz VXEFQKBOYUMTIN-QZTJIDSGSA-N 1 0 328.500 4.280 20 30 EIEDRO N#CCC1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000541922333 1042174647 /nfs/dbraw/zinc/17/46/47/1042174647.db2.gz VXCSKLIHGUAMJE-UHFFFAOYSA-N 1 0 348.372 4.017 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCOCCc1ccccc1 ZINC000464818142 1042176852 /nfs/dbraw/zinc/17/68/52/1042176852.db2.gz KELOSUBCMFMBLB-DHIUTWEWSA-N 1 0 348.490 4.408 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000464860515 1042205800 /nfs/dbraw/zinc/20/58/00/1042205800.db2.gz RMHRBODBPASWRS-UNMCSNQZSA-N 1 0 332.447 4.226 20 30 EIEDRO CCC1(CC)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000438502152 1042214398 /nfs/dbraw/zinc/21/43/98/1042214398.db2.gz BQZMJWNCHWERES-UHFFFAOYSA-N 1 0 337.467 4.250 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)cc(OC)c1O ZINC000506260622 1042218092 /nfs/dbraw/zinc/21/80/92/1042218092.db2.gz XWUGTPKYWXHSRQ-CQSZACIVSA-N 1 0 329.415 4.461 20 30 EIEDRO SC1CC[NH+](Cc2cc3cccc(Cl)c3nc2Cl)CC1 ZINC001141550296 1042219215 /nfs/dbraw/zinc/21/92/15/1042219215.db2.gz VBWLPCJKHWUVLK-UHFFFAOYSA-N 1 0 327.280 4.436 20 30 EIEDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005371 1042227591 /nfs/dbraw/zinc/22/75/91/1042227591.db2.gz IYRVAYHTXXWBKG-IAGOWNOFSA-N 1 0 349.478 4.133 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000518003841 1042308843 /nfs/dbraw/zinc/30/88/43/1042308843.db2.gz SCYQWAHILISXAV-UHFFFAOYSA-N 1 0 342.270 4.155 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(C(F)(F)F)c1 ZINC000518020142 1042315361 /nfs/dbraw/zinc/31/53/61/1042315361.db2.gz RNGSOWBKTDHMSQ-JKSUJKDBSA-N 1 0 340.414 4.437 20 30 EIEDRO C=C(C)CC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000509590448 1042396457 /nfs/dbraw/zinc/39/64/57/1042396457.db2.gz CWPHUNFBYZMTTD-NSHDSACASA-N 1 0 336.233 4.116 20 30 EIEDRO CC1=C[C@H](C)C[C@H](C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000518262620 1042448741 /nfs/dbraw/zinc/44/87/41/1042448741.db2.gz RQRKODPDUIHNPN-CBZJXEIOSA-N 1 0 339.483 4.225 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc3ccccc3n2)cc1OC ZINC000518280040 1042451056 /nfs/dbraw/zinc/45/10/56/1042451056.db2.gz KRNSTFGYSWEKEX-UHFFFAOYSA-N 1 0 348.446 4.141 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000439010340 1042458918 /nfs/dbraw/zinc/45/89/18/1042458918.db2.gz NFSMVIFGPASCBZ-HMXCVIKNSA-N 1 0 340.511 4.393 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1ccccc1OC)N1CCCC1)C1CC1 ZINC000439075747 1042486769 /nfs/dbraw/zinc/48/67/69/1042486769.db2.gz HHLSMUNMOVSKNA-WOJBJXKFSA-N 1 0 328.500 4.167 20 30 EIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@H](C)C(C)C)c1C#N ZINC000030150141 1042491977 /nfs/dbraw/zinc/49/19/77/1042491977.db2.gz RJLOAQZLXPSDEJ-OAHLLOKOSA-N 1 0 344.503 4.007 20 30 EIEDRO C#C[C@H]([NH2+]Cc1cc(-n2ccnc2)cs1)c1ccc(Cl)cc1 ZINC000491775962 1042501235 /nfs/dbraw/zinc/50/12/35/1042501235.db2.gz DTCGTHHDKJZUJT-KRWDZBQOSA-N 1 0 327.840 4.051 20 30 EIEDRO CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000491857640 1042509383 /nfs/dbraw/zinc/50/93/83/1042509383.db2.gz ZNLLXYARVIOICX-UHFFFAOYSA-N 1 0 344.462 4.371 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000271920684 1042519553 /nfs/dbraw/zinc/51/95/53/1042519553.db2.gz DPVSPSQKYHZBNQ-LBPRGKRZSA-N 1 0 334.341 4.192 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)OCCCO2 ZINC000271935633 1042535770 /nfs/dbraw/zinc/53/57/70/1042535770.db2.gz AEIONWDMCKGFSE-OAHLLOKOSA-N 1 0 334.419 4.059 20 30 EIEDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000492101293 1042560193 /nfs/dbraw/zinc/56/01/93/1042560193.db2.gz BDIMZJWFYWEODH-OXQOHEQNSA-N 1 0 340.492 4.157 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cccc(Br)c2)CC1 ZINC000173398457 1042569393 /nfs/dbraw/zinc/56/93/93/1042569393.db2.gz IAQHZEGWVDGNHH-AWEZNQCLSA-N 1 0 337.305 4.140 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173398519 1042569935 /nfs/dbraw/zinc/56/99/35/1042569935.db2.gz KDAFCXKWIDMQQO-AWEZNQCLSA-N 1 0 326.406 4.397 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)ccc1C#N ZINC000492258164 1042590645 /nfs/dbraw/zinc/59/06/45/1042590645.db2.gz MEFINAFPRIQEFE-CQSZACIVSA-N 1 0 332.856 4.449 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000492262118 1042591895 /nfs/dbraw/zinc/59/18/95/1042591895.db2.gz WTOKRUNCRVWLPL-KUHUBIRLSA-N 1 0 329.465 4.105 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)[C@H](O)c1c(F)cccc1F ZINC000271978884 1042601951 /nfs/dbraw/zinc/60/19/51/1042601951.db2.gz WMHVAEXVYAXJLD-RDBACFOTSA-N 1 0 348.368 4.138 20 30 EIEDRO C=CCOc1ccc(C[N@H+](C)Cc2cccc3[nH]ccc32)cc1OC ZINC000426375542 1042613283 /nfs/dbraw/zinc/61/32/83/1042613283.db2.gz DUUFKXXGZHSZEI-UHFFFAOYSA-N 1 0 336.435 4.373 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000439435163 1042624647 /nfs/dbraw/zinc/62/46/47/1042624647.db2.gz UUULXPAPRIXQGP-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000439449155 1042634698 /nfs/dbraw/zinc/63/46/98/1042634698.db2.gz IASLCFPHEGCALU-AUUYWEPGSA-N 1 0 326.827 4.174 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)ccc1C#N ZINC000443973562 1042705005 /nfs/dbraw/zinc/70/50/05/1042705005.db2.gz PBZQXJVRCSYUNN-UHFFFAOYSA-N 1 0 347.393 4.483 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)ccc1C#N ZINC000443978673 1042717246 /nfs/dbraw/zinc/71/72/46/1042717246.db2.gz MIKXVELDLXSMNN-UHFFFAOYSA-N 1 0 347.393 4.483 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)ccc1C#N ZINC000443988448 1042728122 /nfs/dbraw/zinc/72/81/22/1042728122.db2.gz ZRYUTWZMYLOWRH-UHFFFAOYSA-N 1 0 347.462 4.285 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1)C(C)C ZINC000176575835 1042812373 /nfs/dbraw/zinc/81/23/73/1042812373.db2.gz UNRSZTWHTYKZPH-FQEVSTJZSA-N 1 0 341.499 4.119 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000177913687 1042854754 /nfs/dbraw/zinc/85/47/54/1042854754.db2.gz YLXJDSPZFXNMEY-KRWDZBQOSA-N 1 0 337.305 4.140 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000441656892 1042962781 /nfs/dbraw/zinc/96/27/81/1042962781.db2.gz IAHNFPIJEUENME-NHCUHLMSSA-N 1 0 332.447 4.084 20 30 EIEDRO C[C@@H]1C[C@@H](N[C@H](C#N)c2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006620 1043004884 /nfs/dbraw/zinc/00/48/84/1043004884.db2.gz NVCPRQJQHVSDIO-GMQQQROESA-N 1 0 333.479 4.282 20 30 EIEDRO C[C@@H]1CC(N[C@H](C#N)c2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006628 1043005123 /nfs/dbraw/zinc/00/51/23/1043005123.db2.gz NVCPRQJQHVSDIO-JBYIUTFZSA-N 1 0 333.479 4.282 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(Cl)c1 ZINC000008196091 1043066441 /nfs/dbraw/zinc/06/64/41/1043066441.db2.gz NANOCAQLPHETHL-LLVKDONJSA-N 1 0 348.233 4.154 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc2ccccc21 ZINC000008269607 1043079410 /nfs/dbraw/zinc/07/94/10/1043079410.db2.gz IVWKYNDHZLXYSL-ZDUSSCGKSA-N 1 0 335.432 4.062 20 30 EIEDRO C=C(C)CN(Cc1ccc(CO)o1)c1cc[nH+]c2cc(F)ccc21 ZINC000672327126 1043126214 /nfs/dbraw/zinc/12/62/14/1043126214.db2.gz DPWMXIHKWODAMO-UHFFFAOYSA-N 1 0 326.371 4.042 20 30 EIEDRO N#Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000310369819 1043129935 /nfs/dbraw/zinc/12/99/35/1043129935.db2.gz SNLBJBMMYAVXMP-INIZCTEOSA-N 1 0 345.368 4.263 20 30 EIEDRO Cc1nsc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000310442191 1043137878 /nfs/dbraw/zinc/13/78/78/1043137878.db2.gz WABMYXKFFARYCW-KRWDZBQOSA-N 1 0 340.496 4.037 20 30 EIEDRO C=CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000427659545 1043147168 /nfs/dbraw/zinc/14/71/68/1043147168.db2.gz JZXNGCOHWHWONT-PZJWPPBQSA-N 1 0 342.527 4.221 20 30 EIEDRO C=CCc1cc(C[NH2+]C(C)(C)c2cccc(F)c2)cc(OC)c1O ZINC000076901916 1043169668 /nfs/dbraw/zinc/16/96/68/1043169668.db2.gz OJDFNTIJLUQNRL-UHFFFAOYSA-N 1 0 329.415 4.293 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000185804439 1043220064 /nfs/dbraw/zinc/22/00/64/1043220064.db2.gz XXQWFAGTCPCVNP-MSOLQXFVSA-N 1 0 330.435 4.197 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)C1 ZINC000185879061 1043229714 /nfs/dbraw/zinc/22/97/14/1043229714.db2.gz XPLSIXJRFSGUTB-DOMZBBRYSA-N 1 0 327.255 4.182 20 30 EIEDRO C=C(CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000672481958 1043239518 /nfs/dbraw/zinc/23/95/18/1043239518.db2.gz JGLAJTLAAZBGJZ-UHFFFAOYSA-N 1 0 334.463 4.116 20 30 EIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2nncc3ccccc32)CC1 ZINC000733901942 1043252347 /nfs/dbraw/zinc/25/23/47/1043252347.db2.gz JANDXURLSIRULB-KXBFYZLASA-N 1 0 337.471 4.072 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000113355765 1043270642 /nfs/dbraw/zinc/27/06/42/1043270642.db2.gz IBNDEEUBXVUMOV-UHFFFAOYSA-N 1 0 338.414 4.391 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccc(F)c(F)c1 ZINC000187372685 1043344828 /nfs/dbraw/zinc/34/48/28/1043344828.db2.gz SEAKODWFIYINOD-FQEVSTJZSA-N 1 0 347.405 4.397 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)cc1 ZINC000287385572 1043370848 /nfs/dbraw/zinc/37/08/48/1043370848.db2.gz IMUAXWWQDHIEBT-LJQANCHMSA-N 1 0 339.435 4.046 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2C(C)(C)C)CC1 ZINC000670057421 1043393734 /nfs/dbraw/zinc/39/37/34/1043393734.db2.gz AMRYJDTWVRVQJQ-UHFFFAOYSA-N 1 0 349.906 4.409 20 30 EIEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CCC)c2ccc(Cl)c(Cl)c2)C1=O ZINC000499602077 1043397200 /nfs/dbraw/zinc/39/72/00/1043397200.db2.gz JCKVZTCVJXEWJO-JKSUJKDBSA-N 1 0 341.282 4.211 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1csc2ccccc21 ZINC000730024047 1043430993 /nfs/dbraw/zinc/43/09/93/1043430993.db2.gz ZXVGFRNNORHOBN-CABCVRRESA-N 1 0 328.481 4.141 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000730023983 1043431564 /nfs/dbraw/zinc/43/15/64/1043431564.db2.gz YKSVJPSVTXJJBX-LSDHHAIUSA-N 1 0 330.497 4.365 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(SC)cc1OC ZINC000077988530 1043443409 /nfs/dbraw/zinc/44/34/09/1043443409.db2.gz RKGNKIAXJHYWBT-CYBMUJFWSA-N 1 0 342.464 4.148 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+]([C@H]3CCCc4ccccc43)CC2)c1 ZINC000609194879 1043447691 /nfs/dbraw/zinc/44/76/91/1043447691.db2.gz OAVQTTGAWKBRAA-QFIPXVFZSA-N 1 0 332.447 4.479 20 30 EIEDRO C=CCOc1cccc(C[NH2+]CCc2ccc(OC(F)F)cc2)c1 ZINC000520953275 1043456583 /nfs/dbraw/zinc/45/65/83/1043456583.db2.gz ZADANTLKPFTSCA-UHFFFAOYSA-N 1 0 333.378 4.185 20 30 EIEDRO N#Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000521003438 1043482468 /nfs/dbraw/zinc/48/24/68/1043482468.db2.gz NHSUDELABZBNCN-UHFFFAOYSA-N 1 0 333.435 4.187 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000494488556 1043514995 /nfs/dbraw/zinc/51/49/95/1043514995.db2.gz TYNPSPGGWFVBLF-RTBURBONSA-N 1 0 326.827 4.026 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1F ZINC000494491401 1043516936 /nfs/dbraw/zinc/51/69/36/1043516936.db2.gz CSQZMLPKZUYNRU-AEFFLSMTSA-N 1 0 348.780 4.110 20 30 EIEDRO N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@@H](c4ccccc4F)C3)n2)cc1 ZINC000730455805 1043528542 /nfs/dbraw/zinc/52/85/42/1043528542.db2.gz TXYPVMQUDULKJV-GOSISDBHSA-N 1 0 346.409 4.008 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCC)CC2CCCCC2)CC1 ZINC000171607047 1043627709 /nfs/dbraw/zinc/62/77/09/1043627709.db2.gz TZSVVMHCLBFBBJ-UHFFFAOYSA-N 1 0 335.536 4.029 20 30 EIEDRO N#Cc1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000078618364 1043703743 /nfs/dbraw/zinc/70/37/43/1043703743.db2.gz XFYVPXANKGUQLZ-QGZVFWFLSA-N 1 0 339.870 4.188 20 30 EIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000731211742 1043716143 /nfs/dbraw/zinc/71/61/43/1043716143.db2.gz YTZSIGKZLLISMJ-LJQANCHMSA-N 1 0 345.446 4.450 20 30 EIEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000039292851 1043745958 /nfs/dbraw/zinc/74/59/58/1043745958.db2.gz UDTUYYWLDAEMHO-ZIAGYGMSSA-N 1 0 345.512 4.090 20 30 EIEDRO CCOc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C(C)C)cc1OCC ZINC000442646468 1043796397 /nfs/dbraw/zinc/79/63/97/1043796397.db2.gz KCRYCGVEFZXLBI-XAUMDUMWSA-N 1 0 330.472 4.463 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000191415563 1043815927 /nfs/dbraw/zinc/81/59/27/1043815927.db2.gz HEIBJHOXUHZLCB-UHFFFAOYSA-N 1 0 343.515 4.344 20 30 EIEDRO CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CC[C@H](C#N)C3)ccn2)cc1 ZINC000442716481 1043821905 /nfs/dbraw/zinc/82/19/05/1043821905.db2.gz OCOMVUKRHYTVAA-DOTOQJQBSA-N 1 0 337.423 4.054 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)C1 ZINC000442720706 1043822187 /nfs/dbraw/zinc/82/21/87/1043822187.db2.gz UDYBCLDZPYWPOP-PZJWPPBQSA-N 1 0 331.463 4.031 20 30 EIEDRO CC#CC[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191511135 1043823006 /nfs/dbraw/zinc/82/30/06/1043823006.db2.gz OUYGQJGBACEBHG-UHFFFAOYSA-N 1 0 326.465 4.021 20 30 EIEDRO C#CC[NH+]1CCC(c2nc(-c3ccc(-c4ccccc4)cc3)no2)CC1 ZINC000731806977 1043833082 /nfs/dbraw/zinc/83/30/82/1043833082.db2.gz WTFJCPIGWDYOHO-UHFFFAOYSA-N 1 0 343.430 4.216 20 30 EIEDRO CC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)Cc1cccc(Br)c1 ZINC000442783932 1043834367 /nfs/dbraw/zinc/83/43/67/1043834367.db2.gz UVXXZVQNFLUYPG-LXZKKBNFSA-N 1 0 335.289 4.300 20 30 EIEDRO N#Cc1ccc(OCC[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000731848128 1043834480 /nfs/dbraw/zinc/83/44/80/1043834480.db2.gz TULOQKVKDVKTKM-UHFFFAOYSA-N 1 0 336.435 4.087 20 30 EIEDRO CC(C)([NH2+]CCCSCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000191695507 1043838147 /nfs/dbraw/zinc/83/81/47/1043838147.db2.gz DLIATJLCJZBYGE-UHFFFAOYSA-N 1 0 332.391 4.057 20 30 EIEDRO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)ccc1C#N ZINC000442803619 1043848205 /nfs/dbraw/zinc/84/82/05/1043848205.db2.gz UVKFOQSCVYJYBY-UHFFFAOYSA-N 1 0 333.435 4.097 20 30 EIEDRO COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)cc1 ZINC000442847676 1043856774 /nfs/dbraw/zinc/85/67/74/1043856774.db2.gz QVTKXDBYDPKCTD-QZTJIDSGSA-N 1 0 336.435 4.312 20 30 EIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442831440 1043859922 /nfs/dbraw/zinc/85/99/22/1043859922.db2.gz ADTLVQUMCFIPRK-MGPUTAFESA-N 1 0 336.435 4.159 20 30 EIEDRO CC(C)[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000442859077 1043877621 /nfs/dbraw/zinc/87/76/21/1043877621.db2.gz UQKSDJZNFDHXGW-JRSKDTKFSA-N 1 0 327.428 4.150 20 30 EIEDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000442877510 1043879381 /nfs/dbraw/zinc/87/93/81/1043879381.db2.gz ZQFKOHCZMFZHBE-ZYKFHVCXSA-N 1 0 326.484 4.290 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000442879122 1043879709 /nfs/dbraw/zinc/87/97/09/1043879709.db2.gz VSVHNOWWNAKAFA-FVKWTLKZSA-N 1 0 338.373 4.492 20 30 EIEDRO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1=S ZINC000732183588 1043883472 /nfs/dbraw/zinc/88/34/72/1043883472.db2.gz RHIPJBXHOJHREZ-OAHLLOKOSA-N 1 0 339.464 4.398 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCc3sccc3[C@H]2C)c1O ZINC000732526594 1043945551 /nfs/dbraw/zinc/94/55/51/1043945551.db2.gz MDPJUQPOHRAJDY-CYBMUJFWSA-N 1 0 329.465 4.310 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000521873812 1044040081 /nfs/dbraw/zinc/04/00/81/1044040081.db2.gz PAFNIFNYVAYLQH-LJQANCHMSA-N 1 0 335.407 4.173 20 30 EIEDRO N#Cc1cccnc1NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000521881975 1044043323 /nfs/dbraw/zinc/04/33/23/1044043323.db2.gz JWZNFVAFWGIYCZ-GOSISDBHSA-N 1 0 340.858 4.073 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)[C@@H]2CCCCO2)ccc1OC ZINC000675157537 1044056409 /nfs/dbraw/zinc/05/64/09/1044056409.db2.gz WBQCFNCIPYJQCZ-FQEVSTJZSA-N 1 0 347.499 4.335 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000543182059 1044058633 /nfs/dbraw/zinc/05/86/33/1044058633.db2.gz NKOSLBDORAMEAV-MRXNPFEDSA-N 1 0 340.492 4.342 20 30 EIEDRO C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000439127489 1044072981 /nfs/dbraw/zinc/07/29/81/1044072981.db2.gz JMRGCABYCYZTJH-LRDDRELGSA-N 1 0 348.372 4.075 20 30 EIEDRO N#CC1CCC(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000367034353 1044103397 /nfs/dbraw/zinc/10/33/97/1044103397.db2.gz BJBHAAFZRCGQEE-UHFFFAOYSA-N 1 0 331.891 4.228 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000733197797 1044128413 /nfs/dbraw/zinc/12/84/13/1044128413.db2.gz BTVBGYDNAKUYMG-OAQYLSRUSA-N 1 0 335.451 4.395 20 30 EIEDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173760909 1044128760 /nfs/dbraw/zinc/12/87/60/1044128760.db2.gz GOMSQOHXJWCHRE-QGZVFWFLSA-N 1 0 338.455 4.256 20 30 EIEDRO COc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000173801323 1044158760 /nfs/dbraw/zinc/15/87/60/1044158760.db2.gz OHRYFNQXODSZKZ-VGSWGCGISA-N 1 0 349.478 4.055 20 30 EIEDRO C#CCC[NH2+][C@@H](C(=O)c1c[nH]c2c1cccc2CC)c1ccccc1 ZINC000733321939 1044185194 /nfs/dbraw/zinc/18/51/94/1044185194.db2.gz JXHNYJBSEKRSSU-OAQYLSRUSA-N 1 0 330.431 4.267 20 30 EIEDRO C#CCOc1ccc(C[NH2+]CCc2ccc(N3CCCCC3)cc2)cc1 ZINC000733324933 1044189813 /nfs/dbraw/zinc/18/98/13/1044189813.db2.gz LRQBLEXFBQTWKM-UHFFFAOYSA-N 1 0 348.490 4.021 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C/C=C/c2ccccc2)ccc1OC ZINC000733330176 1044191976 /nfs/dbraw/zinc/19/19/76/1044191976.db2.gz QWDSBDFCUNGAQI-QPGLYAHGSA-N 1 0 336.435 4.179 20 30 EIEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)c3cccc(C#N)c3)ccc2NC1=O ZINC000245820817 1044193055 /nfs/dbraw/zinc/19/30/55/1044193055.db2.gz AARGFYVUTJARIZ-LPMFXHHGSA-N 1 0 349.434 4.080 20 30 EIEDRO C#CCOc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000733326298 1044193476 /nfs/dbraw/zinc/19/34/76/1044193476.db2.gz VDSOUAJQCGZKFZ-UHFFFAOYSA-N 1 0 338.838 4.166 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCOc3c(CC)cccc32)cc1 ZINC000733328175 1044195847 /nfs/dbraw/zinc/19/58/47/1044195847.db2.gz JOUHTLQOUSTECS-OAQYLSRUSA-N 1 0 335.447 4.265 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000174075028 1044217920 /nfs/dbraw/zinc/21/79/20/1044217920.db2.gz HBPRIDSLXLGKRT-ZDUSSCGKSA-N 1 0 329.241 4.480 20 30 EIEDRO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000174121211 1044222820 /nfs/dbraw/zinc/22/28/20/1044222820.db2.gz MTLCRSRWLOHLTL-NNGSBXSVSA-N 1 0 343.471 4.045 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)CSC)c1ccc(C(F)(F)F)cc1 ZINC000494786673 1044243504 /nfs/dbraw/zinc/24/35/04/1044243504.db2.gz GNJCCWSKZKMMAX-LSDHHAIUSA-N 1 0 333.419 4.026 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237249119 1044305693 /nfs/dbraw/zinc/30/56/93/1044305693.db2.gz FJZJDJXIJUSWSH-IAGOWNOFSA-N 1 0 338.451 4.097 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Br)cc1 ZINC000042335666 1044312761 /nfs/dbraw/zinc/31/27/61/1044312761.db2.gz CWWNZJLKIPCHMV-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(OC(F)F)c2)c1 ZINC000733800079 1044315726 /nfs/dbraw/zinc/31/57/26/1044315726.db2.gz GFWBWUXGSHYFQH-MRXNPFEDSA-N 1 0 346.377 4.259 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)F)c1 ZINC000347964880 1044345151 /nfs/dbraw/zinc/34/51/51/1044345151.db2.gz LRJBEAFXMSZXKB-UHFFFAOYSA-N 1 0 330.378 4.144 20 30 EIEDRO C=C(C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C)c1ccccc1 ZINC000675473602 1044345142 /nfs/dbraw/zinc/34/51/42/1044345142.db2.gz XIELAXDHVVGMJW-UHFFFAOYSA-N 1 0 345.368 4.395 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C)o2)cc1 ZINC000766144705 1044347457 /nfs/dbraw/zinc/34/74/57/1044347457.db2.gz XAKNVVCHSBJQTJ-YOEHRIQHSA-N 1 0 335.831 4.104 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC001168758351 1044366351 /nfs/dbraw/zinc/36/63/51/1044366351.db2.gz QDBGEBHMCVIUIU-BDJLRTHQSA-N 1 0 335.234 4.249 20 30 EIEDRO C=CC[C@@H](CC)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000466402855 1044394772 /nfs/dbraw/zinc/39/47/72/1044394772.db2.gz AIRAXDBVKFQMMN-IEBWSBKVSA-N 1 0 335.536 4.027 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000466406571 1044398142 /nfs/dbraw/zinc/39/81/42/1044398142.db2.gz UIYBTBMJFDKYKL-GOSISDBHSA-N 1 0 338.451 4.392 20 30 EIEDRO Oc1ccccc1/C=N/[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903615 1044410840 /nfs/dbraw/zinc/41/08/40/1044410840.db2.gz MMWHHAUEPPCLEB-TVSCDJBNSA-N 1 0 348.368 4.104 20 30 EIEDRO C[C@@H](C/N=C\c1c(O)ccc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000914558315 1044482523 /nfs/dbraw/zinc/48/25/23/1044482523.db2.gz SSLYWGFGDWWMQD-HZRSJKMUSA-N 1 0 344.458 4.411 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)c1ccccc1F ZINC000914573081 1044500736 /nfs/dbraw/zinc/50/07/36/1044500736.db2.gz WVULWKCIYDCESZ-OAHLLOKOSA-N 1 0 325.836 4.262 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000734159418 1044505408 /nfs/dbraw/zinc/50/54/08/1044505408.db2.gz MSSNIADANKLBSE-UHFFFAOYSA-N 1 0 334.444 4.112 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000383867256 1044506314 /nfs/dbraw/zinc/50/63/14/1044506314.db2.gz WASWOLIAJJENML-CYBMUJFWSA-N 1 0 329.241 4.214 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC000914576312 1044521235 /nfs/dbraw/zinc/52/12/35/1044521235.db2.gz DBHUBNQWQUVSOH-SFHVURJKSA-N 1 0 346.268 4.171 20 30 EIEDRO C[C@@H]1CC(N=Nc2nc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000734297684 1044524671 /nfs/dbraw/zinc/52/46/71/1044524671.db2.gz SMJYLSFYCLBTJM-OAHLLOKOSA-N 1 0 333.439 4.015 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000069629894 1044541567 /nfs/dbraw/zinc/54/15/67/1044541567.db2.gz CSHGKIXTGSRZMM-GOSISDBHSA-N 1 0 328.362 4.327 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000495071289 1044638943 /nfs/dbraw/zinc/63/89/43/1044638943.db2.gz XLDQKPJHRQUTTC-DNVCBOLYSA-N 1 0 347.405 4.152 20 30 EIEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000543472142 1044676106 /nfs/dbraw/zinc/67/61/06/1044676106.db2.gz BOXPEZIEZDFIHZ-KBPBESRZSA-N 1 0 330.378 4.441 20 30 EIEDRO C(=[NH+]N(c1ccccc1)c1ccccc1)c1cnc(N2CCCC2)nc1 ZINC000914772492 1044764710 /nfs/dbraw/zinc/76/47/10/1044764710.db2.gz ZWFRJDBNLXMJMH-UHFFFAOYSA-N 1 0 343.434 4.249 20 30 EIEDRO CC[N@H+](CCc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735307887 1044783193 /nfs/dbraw/zinc/78/31/93/1044783193.db2.gz ASKMYVCFUZHJIH-UHFFFAOYSA-N 1 0 328.843 4.307 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc4ccccc4o3)CC2)nc1 ZINC000092854165 1044805527 /nfs/dbraw/zinc/80/55/27/1044805527.db2.gz BCYTXUVWOHZHJV-UHFFFAOYSA-N 1 0 347.418 4.179 20 30 EIEDRO Clc1cccc(C#CC[NH+]2CCC3(CC2)OCc2ccccc23)c1 ZINC000676632938 1044810481 /nfs/dbraw/zinc/81/04/81/1044810481.db2.gz QHJHWWMRQGXQGV-UHFFFAOYSA-N 1 0 337.850 4.213 20 30 EIEDRO C=C[C@](C)(CC)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000474244369 1044820198 /nfs/dbraw/zinc/82/01/98/1044820198.db2.gz HQQOSFBSVDCBKL-JAXLGGSGSA-N 1 0 340.511 4.102 20 30 EIEDRO Cc1ccc2c(CC[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)cn(C)c2c1 ZINC000186544365 1044829242 /nfs/dbraw/zinc/82/92/42/1044829242.db2.gz PUTMRSLDHDGKKF-KRWDZBQOSA-N 1 0 347.462 4.110 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cc(F)ccc1OC ZINC000922623420 1044849467 /nfs/dbraw/zinc/84/94/67/1044849467.db2.gz UXUFJWBRIBKDKY-IFXJQAMLSA-N 1 0 342.414 4.366 20 30 EIEDRO C[C@H]1SCC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC000735673801 1044858184 /nfs/dbraw/zinc/85/81/84/1044858184.db2.gz HBPOIQSYBYINES-UZLBHIALSA-N 1 0 338.476 4.268 20 30 EIEDRO CC[C@@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[NH+](CC)CC ZINC000736003311 1044888007 /nfs/dbraw/zinc/88/80/07/1044888007.db2.gz XOISJDIBYPPEBF-SFTDATJTSA-N 1 0 349.478 4.401 20 30 EIEDRO C=CCC[C@@H](C)[NH2+][C@@H](CCC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000543603338 1044895461 /nfs/dbraw/zinc/89/54/61/1044895461.db2.gz VZABHWDESXOPBE-XLIONFOSSA-N 1 0 343.515 4.338 20 30 EIEDRO CC(C)C[C@@](C)(C#N)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168033451 1044895530 /nfs/dbraw/zinc/89/55/30/1044895530.db2.gz KSQIJTCZKVRZGM-YHELAOLJSA-N 1 0 327.516 4.346 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc1 ZINC000736361134 1044931958 /nfs/dbraw/zinc/93/19/58/1044931958.db2.gz OJJAYOSHYFQVTL-FOIQADDNSA-N 1 0 343.854 4.218 20 30 EIEDRO N#Cc1c(F)cccc1CN1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000428986505 1044957628 /nfs/dbraw/zinc/95/76/28/1044957628.db2.gz ZQKYWNGZSSCPQX-HNNXBMFYSA-N 1 0 326.337 4.252 20 30 EIEDRO C[C@H](CF)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000673619465 1044973213 /nfs/dbraw/zinc/97/32/13/1044973213.db2.gz GNPYPHCOODACOG-KCJUWKMLSA-N 1 0 333.247 4.006 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCSC3(CCC3)C2)c1 ZINC000922844966 1044997129 /nfs/dbraw/zinc/99/71/29/1044997129.db2.gz JAPAWHREIVKSNM-KRWDZBQOSA-N 1 0 330.497 4.277 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NCc3ccc(C#N)s3)cc2)C1 ZINC000156105762 1045004927 /nfs/dbraw/zinc/00/49/27/1045004927.db2.gz ULMWWDLROJLWLN-HNNXBMFYSA-N 1 0 325.481 4.464 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nnc2ccccn21 ZINC000495383757 1045022029 /nfs/dbraw/zinc/02/20/29/1045022029.db2.gz ALOHOMAZRAFXNN-LJQANCHMSA-N 1 0 347.466 4.017 20 30 EIEDRO C=CCC1([NH2+]Cc2nc(COc3ccc(F)cc3)no2)CCCCC1 ZINC000625936955 1045042002 /nfs/dbraw/zinc/04/20/02/1045042002.db2.gz CYXJFZSTPGDQKB-UHFFFAOYSA-N 1 0 345.418 4.156 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2ccccc2OC(F)F)CCCCC1 ZINC000625937807 1045042561 /nfs/dbraw/zinc/04/25/61/1045042561.db2.gz WIDPGUQPYQKYNG-UHFFFAOYSA-N 1 0 338.398 4.095 20 30 EIEDRO COc1ccc(C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)cc1 ZINC000466720306 1045092531 /nfs/dbraw/zinc/09/25/31/1045092531.db2.gz URPOIKGWQIQSAB-UHFFFAOYSA-N 1 0 345.446 4.199 20 30 EIEDRO CC(C)[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000915113254 1045112152 /nfs/dbraw/zinc/11/21/52/1045112152.db2.gz SJNDPFXOYZCYBG-BOURKTIISA-N 1 0 339.483 4.116 20 30 EIEDRO CCOc1cccc(/C=N/C[C@H](c2ccsc2)[NH+](CC)CC)c1O ZINC000915115118 1045113204 /nfs/dbraw/zinc/11/32/04/1045113204.db2.gz XQRIIJPUKZHKGX-XNHPLOEXSA-N 1 0 346.496 4.354 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000186713598 1045149288 /nfs/dbraw/zinc/14/92/88/1045149288.db2.gz CGVNROBFWHHNHB-LSDHHAIUSA-N 1 0 348.899 4.368 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](CCOC)Cc1cccc(F)c1)c1ccncc1 ZINC000766022824 1045234591 /nfs/dbraw/zinc/23/45/91/1045234591.db2.gz XOFVVXXXQYOFHL-PMACEKPBSA-N 1 0 328.431 4.075 20 30 EIEDRO C#CC[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CCCCC1 ZINC000740876141 1045236637 /nfs/dbraw/zinc/23/66/37/1045236637.db2.gz MYBVFQGLBBSYMW-UHFFFAOYSA-N 1 0 343.858 4.200 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccncc1 ZINC000766021985 1045237529 /nfs/dbraw/zinc/23/75/29/1045237529.db2.gz VRBRHLNIIASJIG-OXJNMPFZSA-N 1 0 335.451 4.176 20 30 EIEDRO CCC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000740888614 1045239755 /nfs/dbraw/zinc/23/97/55/1045239755.db2.gz RYVWGKCBTUSZKU-MOPGFXCFSA-N 1 0 330.472 4.005 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@H]1OCCc2sccc21 ZINC000429120896 1045249164 /nfs/dbraw/zinc/24/91/64/1045249164.db2.gz IVXFFGZKDQULFP-SCLBCKFNSA-N 1 0 331.868 4.045 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192991 1045260450 /nfs/dbraw/zinc/26/04/50/1045260450.db2.gz YCTQCRAUKIJOBM-DYESRHJHSA-N 1 0 333.479 4.262 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000611265350 1045268154 /nfs/dbraw/zinc/26/81/54/1045268154.db2.gz AEGTYDOGAZIQRY-OAQYLSRUSA-N 1 0 336.435 4.412 20 30 EIEDRO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H]1CCSC1 ZINC000130598393 1045280544 /nfs/dbraw/zinc/28/05/44/1045280544.db2.gz NYDCPPKOUIDMNC-LJQANCHMSA-N 1 0 338.476 4.075 20 30 EIEDRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611386132 1045295079 /nfs/dbraw/zinc/29/50/79/1045295079.db2.gz DMQAFYKCTFNNOR-INIZCTEOSA-N 1 0 335.451 4.279 20 30 EIEDRO Cc1ccc([C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)N2CCCC2)o1 ZINC000611392198 1045296818 /nfs/dbraw/zinc/29/68/18/1045296818.db2.gz JVJFXASUZZLUHK-SFTDATJTSA-N 1 0 349.478 4.264 20 30 EIEDRO C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)N(C)Cc1ccccc1 ZINC000611392682 1045299055 /nfs/dbraw/zinc/29/90/55/1045299055.db2.gz CUDVOSGQNRTLHY-VGSWGCGISA-N 1 0 333.479 4.046 20 30 EIEDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611393054 1045299644 /nfs/dbraw/zinc/29/96/44/1045299644.db2.gz FEMJPJVFFBQZHC-VQTJNVASSA-N 1 0 334.419 4.058 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611395239 1045300761 /nfs/dbraw/zinc/30/07/61/1045300761.db2.gz XASUCECETGPREN-WVFSVQOHSA-N 1 0 338.426 4.441 20 30 EIEDRO C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391242 1045301993 /nfs/dbraw/zinc/30/19/93/1045301993.db2.gz ICVUISGUOXNMOS-YJYMSZOUSA-N 1 0 342.389 4.271 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 ZINC000611438193 1045307656 /nfs/dbraw/zinc/30/76/56/1045307656.db2.gz FDLHTGBFHIDHIJ-NVXWUHKLSA-N 1 0 339.870 4.389 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 ZINC000611438181 1045308571 /nfs/dbraw/zinc/30/85/71/1045308571.db2.gz BMUXZPVTIICWJU-NVXWUHKLSA-N 1 0 339.870 4.389 20 30 EIEDRO C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc(OCC#N)cc1 ZINC000762619809 1045316687 /nfs/dbraw/zinc/31/66/87/1045316687.db2.gz DRBNUIQNPUSALL-MDCZIUGASA-N 1 0 330.472 4.223 20 30 EIEDRO C=C(C[NH2+][C@H](C)c1cc(Br)ncc1F)c1ccccc1 ZINC000762751697 1045346839 /nfs/dbraw/zinc/34/68/39/1045346839.db2.gz YQMNLHHWZVMYDZ-GFCCVEGCSA-N 1 0 335.220 4.347 20 30 EIEDRO CCC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000193629395 1045408236 /nfs/dbraw/zinc/40/82/36/1045408236.db2.gz GFDFJFJVTYOSHD-QGZVFWFLSA-N 1 0 341.842 4.281 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCC[N@@H+]2CCC(C)(C)C#N)C1 ZINC000495797398 1045415030 /nfs/dbraw/zinc/41/50/30/1045415030.db2.gz DHIISBSDWSIARG-SJORKVTESA-N 1 0 349.519 4.038 20 30 EIEDRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)CCC#N ZINC000495944492 1045446724 /nfs/dbraw/zinc/44/67/24/1045446724.db2.gz FPHOGARPPFXONE-CVEARBPZSA-N 1 0 337.508 4.084 20 30 EIEDRO CC(C)C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000153315226 1045494827 /nfs/dbraw/zinc/49/48/27/1045494827.db2.gz NUYZIYATRSEYFO-KRWDZBQOSA-N 1 0 341.480 4.325 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(C#N)c(F)c1 ZINC000272559267 1045510717 /nfs/dbraw/zinc/51/07/17/1045510717.db2.gz DVLXVHFLQCPISZ-SGTLLEGYSA-N 1 0 328.362 4.401 20 30 EIEDRO Cc1cc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)ccc1C#N ZINC000767682847 1045607381 /nfs/dbraw/zinc/60/73/81/1045607381.db2.gz FDDDTRRIYFBHSG-QHCPKHFHSA-N 1 0 342.442 4.357 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000767693118 1045616480 /nfs/dbraw/zinc/61/64/80/1045616480.db2.gz YJWWXXGUZOEQGT-SZHLLGMXSA-N 1 0 330.472 4.149 20 30 EIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169981869 1045711851 /nfs/dbraw/zinc/71/18/51/1045711851.db2.gz CGKLNTIJKRKPMG-OAHLLOKOSA-N 1 0 332.488 4.313 20 30 EIEDRO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000768206809 1045744470 /nfs/dbraw/zinc/74/44/70/1045744470.db2.gz IHRBWCRWKQARTC-OAHLLOKOSA-N 1 0 325.481 4.217 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000768234393 1045764200 /nfs/dbraw/zinc/76/42/00/1045764200.db2.gz IEEMXPMLXPNGIS-UHFFFAOYSA-N 1 0 335.447 4.174 20 30 EIEDRO COCCCC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC000791608909 1045773030 /nfs/dbraw/zinc/77/30/30/1045773030.db2.gz AJKCFUPTEFKQSS-FQEVSTJZSA-N 1 0 338.451 4.214 20 30 EIEDRO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000763242893 1045790343 /nfs/dbraw/zinc/79/03/43/1045790343.db2.gz XVMOEGYETKAXIJ-BVYCBKJFSA-N 1 0 334.463 4.107 20 30 EIEDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000768512891 1045813091 /nfs/dbraw/zinc/81/30/91/1045813091.db2.gz KQVLDXYEHZFHIN-HNNXBMFYSA-N 1 0 325.431 4.346 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)ccc1OC ZINC000768598786 1045824740 /nfs/dbraw/zinc/82/47/40/1045824740.db2.gz RPFGCIQMNHIKQS-LZLYRXPVSA-N 1 0 330.472 4.292 20 30 EIEDRO C=C(C)[C@H](CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)OCC ZINC000533716228 1045846630 /nfs/dbraw/zinc/84/66/30/1045846630.db2.gz YXAKYJWKWGHODM-FQEVSTJZSA-N 1 0 344.499 4.372 20 30 EIEDRO C#CCOc1ccc(C[NH+]2CCC(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000768926695 1045861016 /nfs/dbraw/zinc/86/10/16/1045861016.db2.gz ONFQKDIESXMQPN-UHFFFAOYSA-N 1 0 347.458 4.102 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000769107368 1045880432 /nfs/dbraw/zinc/88/04/32/1045880432.db2.gz SGEMLQDENOIBBY-OAQYLSRUSA-N 1 0 335.451 4.079 20 30 EIEDRO C#CCOc1ccccc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000769219204 1045894944 /nfs/dbraw/zinc/89/49/44/1045894944.db2.gz ZYKPBPQLSSVOFI-UHFFFAOYSA-N 1 0 327.468 4.012 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000249254540 1045895813 /nfs/dbraw/zinc/89/58/13/1045895813.db2.gz GHCIPVGRLWFLDB-KMFMINBZSA-N 1 0 335.373 4.375 20 30 EIEDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000769210180 1045896182 /nfs/dbraw/zinc/89/61/82/1045896182.db2.gz XOXOCWQQYMUHPQ-SFHVURJKSA-N 1 0 337.467 4.233 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000496307152 1045899461 /nfs/dbraw/zinc/89/94/61/1045899461.db2.gz NCKFBRYXQOQQQA-INIZCTEOSA-N 1 0 349.434 4.016 20 30 EIEDRO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000496350397 1045912334 /nfs/dbraw/zinc/91/23/34/1045912334.db2.gz WIZUBKGQVPBMKQ-IRXDYDNUSA-N 1 0 349.519 4.086 20 30 EIEDRO C=C(C)C[N@@H+](CCO[C@H]1CCCC[C@@H]1C)Cc1cnn(C(C)C)c1 ZINC001170204671 1045927740 /nfs/dbraw/zinc/92/77/40/1045927740.db2.gz FBWBVPDVSDIJNG-ICSRJNTNSA-N 1 0 333.520 4.437 20 30 EIEDRO C[C@@H]1C[C@H](C[NH+]2CCC(CCC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000496416291 1045937258 /nfs/dbraw/zinc/93/72/58/1045937258.db2.gz ITMXATRIRDFBEH-SJLPKXTDSA-N 1 0 349.519 4.038 20 30 EIEDRO CC[C@@H]1C[C@@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CCO1 ZINC001170233549 1045940827 /nfs/dbraw/zinc/94/08/27/1045940827.db2.gz HAWQPPRHOJUATM-JKSUJKDBSA-N 1 0 348.874 4.012 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000769405382 1045952621 /nfs/dbraw/zinc/95/26/21/1045952621.db2.gz USWDLHAUKXEUEG-MRXNPFEDSA-N 1 0 338.426 4.324 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000614963824 1045968579 /nfs/dbraw/zinc/96/85/79/1045968579.db2.gz LFIIYHPBRBJKHE-INIZCTEOSA-N 1 0 338.426 4.440 20 30 EIEDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769446737 1045973888 /nfs/dbraw/zinc/97/38/88/1045973888.db2.gz TUGHWOFQPJZQBM-NQIIRXRSSA-N 1 0 333.479 4.414 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)cc1 ZINC000769465333 1045983717 /nfs/dbraw/zinc/98/37/17/1045983717.db2.gz FYIKUZCFORBJJR-FCEWJHQRSA-N 1 0 338.426 4.495 20 30 EIEDRO CCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000769471552 1045988707 /nfs/dbraw/zinc/98/87/07/1045988707.db2.gz VRMKIHLZXJHNJO-XLNTUCKNSA-N 1 0 342.483 4.003 20 30 EIEDRO N#Cc1cc(C#N)cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001170332275 1046004189 /nfs/dbraw/zinc/00/41/89/1046004189.db2.gz CFMTZDOZCPTRNI-DKUWSORSSA-N 1 0 342.446 4.037 20 30 EIEDRO Cc1ccc(C2([NH2+]C3CCC(C#N)(c4ccccc4)CC3)COC2)cc1 ZINC001170362245 1046016232 /nfs/dbraw/zinc/01/62/32/1046016232.db2.gz RMTOPLJIPIHFME-UHFFFAOYSA-N 1 0 346.474 4.214 20 30 EIEDRO Cc1ccnc(CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001170368003 1046017275 /nfs/dbraw/zinc/01/72/75/1046017275.db2.gz LIADDUOQASKEET-UHFFFAOYSA-N 1 0 333.479 4.316 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC(=O)c2ccccc2)CC1 ZINC001170367547 1046018666 /nfs/dbraw/zinc/01/86/66/1046018666.db2.gz JOUJTHOVDKKBSG-UHFFFAOYSA-N 1 0 332.447 4.253 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCOc3ccccc3C2)CC1 ZINC001170386324 1046025188 /nfs/dbraw/zinc/02/51/88/1046025188.db2.gz DRGDGWMUUUSIOQ-UHFFFAOYSA-N 1 0 332.447 4.285 20 30 EIEDRO C[N@H+](Cc1cccc2c1OCO2)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397511 1046031750 /nfs/dbraw/zinc/03/17/50/1046031750.db2.gz DOAUCHOUCOXQIU-UHFFFAOYSA-N 1 0 348.446 4.251 20 30 EIEDRO C#CCCOc1ccc(CNc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000769701640 1046050286 /nfs/dbraw/zinc/05/02/86/1046050286.db2.gz JYVGVEKQFOWRGI-UHFFFAOYSA-N 1 0 348.490 4.339 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2sccc2OC)c1 ZINC000769961253 1046110566 /nfs/dbraw/zinc/11/05/66/1046110566.db2.gz DTEWIVAJQQHXNS-DZGCQCFKSA-N 1 0 330.453 4.288 20 30 EIEDRO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763405596 1046134325 /nfs/dbraw/zinc/13/43/25/1046134325.db2.gz DNUUKPJGSHGJMR-HSZRJFAPSA-N 1 0 342.442 4.391 20 30 EIEDRO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000763413396 1046147727 /nfs/dbraw/zinc/14/77/27/1046147727.db2.gz KVEPJIPOHBVNEN-UIAACRFSSA-N 1 0 338.451 4.220 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000488160303 1046168442 /nfs/dbraw/zinc/16/84/42/1046168442.db2.gz SATPGCYPVLSQKK-MRXNPFEDSA-N 1 0 330.435 4.212 20 30 EIEDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770302824 1046176880 /nfs/dbraw/zinc/17/68/80/1046176880.db2.gz CSLGGRWKZWYICW-FXAWDEMLSA-N 1 0 349.478 4.208 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](CCC)[C@@H](O)c2ccccc2)cc1 ZINC000793240058 1046187394 /nfs/dbraw/zinc/18/73/94/1046187394.db2.gz RSYSPFHFQPCRKV-YADHBBJMSA-N 1 0 337.463 4.081 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000666840178 1046263275 /nfs/dbraw/zinc/26/32/75/1046263275.db2.gz TZMUYUDOZKFHHB-WMZOPIPTSA-N 1 0 329.488 4.047 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)cc1 ZINC000770748771 1046267421 /nfs/dbraw/zinc/26/74/21/1046267421.db2.gz VKSDNZLDECZXJR-KKSFZXQISA-N 1 0 341.426 4.094 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000793529276 1046268524 /nfs/dbraw/zinc/26/85/24/1046268524.db2.gz WNJZOGVJOGEEBK-KRWDZBQOSA-N 1 0 326.488 4.037 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(c2cc(CC)ncn2)CC1 ZINC000793534948 1046273809 /nfs/dbraw/zinc/27/38/09/1046273809.db2.gz RJSFABCBCOFIKT-QGZVFWFLSA-N 1 0 330.520 4.122 20 30 EIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000287199797 1046300142 /nfs/dbraw/zinc/30/01/42/1046300142.db2.gz WGUOHCKVWPLBNR-MSOLQXFVSA-N 1 0 338.451 4.235 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000793620694 1046316520 /nfs/dbraw/zinc/31/65/20/1046316520.db2.gz RJVKDEIPJSGYMZ-UHFFFAOYSA-N 1 0 325.374 4.253 20 30 EIEDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000497166430 1046365573 /nfs/dbraw/zinc/36/55/73/1046365573.db2.gz ILCVZSJVUMUOPN-YJBCQJRQSA-N 1 0 349.519 4.132 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccccc1 ZINC000271710419 1046383887 /nfs/dbraw/zinc/38/38/87/1046383887.db2.gz OICRTZKLXAPIAT-LJQANCHMSA-N 1 0 338.476 4.315 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](CCOC)c2ccc(C)o2)cc1OC ZINC000272357586 1046390295 /nfs/dbraw/zinc/39/02/95/1046390295.db2.gz VUSOKXKMYOMODU-KRWDZBQOSA-N 1 0 345.439 4.029 20 30 EIEDRO C=CCC[C@H]([NH2+]CCc1nccn1Cc1ccccc1)c1ccco1 ZINC000476010998 1046408199 /nfs/dbraw/zinc/40/81/99/1046408199.db2.gz VNOVGKBQHRWUTL-IBGZPJMESA-N 1 0 335.451 4.364 20 30 EIEDRO C=CCn1c(SCC[C@H]2CCC[N@H+]2C)nnc1-c1ccc(C)cc1 ZINC000533884098 1046588384 /nfs/dbraw/zinc/58/83/84/1046588384.db2.gz HJUXFMWGAHACJB-QGZVFWFLSA-N 1 0 342.512 4.016 20 30 EIEDRO CC[C@@H]1CC([NH2+]CC2(C#N)CCC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170458026 1046637457 /nfs/dbraw/zinc/63/74/57/1046637457.db2.gz FMDAQGKBJTZHGU-IAGOWNOFSA-N 1 0 349.519 4.227 20 30 EIEDRO COc1ccccc1/C=C/CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000536668531 1046643087 /nfs/dbraw/zinc/64/30/87/1046643087.db2.gz IQWPUBVYGIBIKX-WYIOMSSPSA-N 1 0 332.447 4.480 20 30 EIEDRO Cc1ccc(C)c([C@H]2CN(Cc3ccc(C#N)cc3F)[C@H](C)CO2)c1 ZINC000536680559 1046668086 /nfs/dbraw/zinc/66/80/86/1046668086.db2.gz UFIUTCDSFBRYNW-IIBYNOLFSA-N 1 0 338.426 4.276 20 30 EIEDRO C#CC[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCc2ccccc21 ZINC000772598351 1046682288 /nfs/dbraw/zinc/68/22/88/1046682288.db2.gz LBBAZLJPXLQFLA-QHCPKHFHSA-N 1 0 344.458 4.492 20 30 EIEDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)c1 ZINC000536694922 1046691630 /nfs/dbraw/zinc/69/16/30/1046691630.db2.gz CWVOCFAQXFCKEB-HXUWFJFHSA-N 1 0 330.435 4.160 20 30 EIEDRO N#C[C@@H]1CCC[C@H]1[NH2+]CCSc1ccnc2cc(Cl)ccc21 ZINC000459457363 1046694635 /nfs/dbraw/zinc/69/46/35/1046694635.db2.gz GTAXRVYMKSCFCY-SWLSCSKDSA-N 1 0 331.872 4.262 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000785617850 1046728531 /nfs/dbraw/zinc/72/85/31/1046728531.db2.gz WVYLLXJPJCLULE-GOSISDBHSA-N 1 0 341.252 4.406 20 30 EIEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000536745470 1046743239 /nfs/dbraw/zinc/74/32/39/1046743239.db2.gz WINBVHZGMIONAB-ARFHVFGLSA-N 1 0 345.512 4.140 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Cl)c(O)c(OCC)c2)cc1 ZINC000459547366 1046769204 /nfs/dbraw/zinc/76/92/04/1046769204.db2.gz VTVKIXRLHBVMEO-UHFFFAOYSA-N 1 0 347.842 4.299 20 30 EIEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000497407391 1046794030 /nfs/dbraw/zinc/79/40/30/1046794030.db2.gz LUSLLLQVCHOVMO-GOSISDBHSA-N 1 0 341.480 4.277 20 30 EIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000536840577 1046813685 /nfs/dbraw/zinc/81/36/85/1046813685.db2.gz UOMRFJSHUZYPTD-XLIONFOSSA-N 1 0 335.451 4.347 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000536842710 1046815732 /nfs/dbraw/zinc/81/57/32/1046815732.db2.gz ANMKXLADLLCYNI-MRXNPFEDSA-N 1 0 328.481 4.370 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](C)c2c(C)noc2C)ccc1OC ZINC000128317390 1046818270 /nfs/dbraw/zinc/81/82/70/1046818270.db2.gz LOZRFMYJFFDEKH-AWEZNQCLSA-N 1 0 344.455 4.148 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000154330101 1046821109 /nfs/dbraw/zinc/82/11/09/1046821109.db2.gz YVUUJOHROUJZFL-WWMYMODYSA-N 1 0 325.500 4.252 20 30 EIEDRO C#CCCCC[NH2+]C1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001170475065 1046847831 /nfs/dbraw/zinc/84/78/31/1046847831.db2.gz MKIHWSRKMFDZQR-QZTJIDSGSA-N 1 0 336.520 4.336 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459756688 1046874356 /nfs/dbraw/zinc/87/43/56/1046874356.db2.gz GRVGHDMSQSZCDU-XHSDSOJGSA-N 1 0 339.277 4.009 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C1CC(C)(C)C1 ZINC000459745360 1046879194 /nfs/dbraw/zinc/87/91/94/1046879194.db2.gz SMBJBXYBALWQPY-CQSZACIVSA-N 1 0 345.512 4.140 20 30 EIEDRO Cc1cc(NC2CCN(c3ccc(C#N)cc3)CC2)ccc1C[NH+](C)C ZINC000459774928 1046881206 /nfs/dbraw/zinc/88/12/06/1046881206.db2.gz UQVZEDJPVLVUTQ-UHFFFAOYSA-N 1 0 348.494 4.009 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(N2CCCC2=O)cc1 ZINC000787025464 1046893388 /nfs/dbraw/zinc/89/33/88/1046893388.db2.gz GVQIFJBDJSXKRP-YCRPNKLZSA-N 1 0 345.446 4.023 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000537028876 1046902361 /nfs/dbraw/zinc/90/23/61/1046902361.db2.gz TXLPZUGNSMZVPD-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)ccc1OC(C)C ZINC000537053690 1046919796 /nfs/dbraw/zinc/91/97/96/1046919796.db2.gz ZVZUEPIYDYGNIN-MRXNPFEDSA-N 1 0 341.426 4.324 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1OC ZINC000537067084 1046920672 /nfs/dbraw/zinc/92/06/72/1046920672.db2.gz XJIQZVSKHFRINN-OAHLLOKOSA-N 1 0 343.854 4.450 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000537097207 1046927134 /nfs/dbraw/zinc/92/71/34/1046927134.db2.gz DKZXDKMJNPCNHL-SJORKVTESA-N 1 0 325.452 4.197 20 30 EIEDRO COc1cccc(C=Nc2ccc(CC[NH+]3CCCCC3)cc2)c1O ZINC000917558609 1046965113 /nfs/dbraw/zinc/96/51/13/1046965113.db2.gz ZMFROIPOJKAPNQ-UHFFFAOYSA-N 1 0 338.451 4.180 20 30 EIEDRO COc1ccccc1[C@H](C/N=C\c1ccccc1O)[NH+]1CCCCC1 ZINC000917559293 1046970489 /nfs/dbraw/zinc/97/04/89/1046970489.db2.gz KEXRDBODXVLNPR-UQRWVXEISA-N 1 0 338.451 4.047 20 30 EIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000787306414 1046988966 /nfs/dbraw/zinc/98/89/66/1046988966.db2.gz NEZWNRALTQNFAS-DOTOQJQBSA-N 1 0 338.904 4.396 20 30 EIEDRO Cc1ccc2nc(NCC(C)(C)C[NH+](C)C)c(C#N)c(Cl)c2c1 ZINC001157948682 1047035600 /nfs/dbraw/zinc/03/56/00/1047035600.db2.gz LPPHJZLXVJYVFV-UHFFFAOYSA-N 1 0 330.863 4.068 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000537290949 1047069249 /nfs/dbraw/zinc/06/92/49/1047069249.db2.gz STYYIUHWXFORAE-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO N#CCCCCCC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000805962976 1047072197 /nfs/dbraw/zinc/07/21/97/1047072197.db2.gz PIASEQOAKBUWJO-IBGZPJMESA-N 1 0 328.456 4.058 20 30 EIEDRO N#CCOc1ccccc1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001212604665 1047078710 /nfs/dbraw/zinc/07/87/10/1047078710.db2.gz OZWIEGHWXLXHJM-UHFFFAOYSA-N 1 0 335.451 4.361 20 30 EIEDRO C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)c1ccc(C#N)cc1 ZINC000537305491 1047090694 /nfs/dbraw/zinc/09/06/94/1047090694.db2.gz VTFMFNKVECSYHZ-CYBMUJFWSA-N 1 0 340.377 4.196 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cnc(-c3cccs3)s2)cc1C#N ZINC000746740587 1047153409 /nfs/dbraw/zinc/15/34/09/1047153409.db2.gz GCTBYEYPCNLMMT-UHFFFAOYSA-N 1 0 341.461 4.042 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806146311 1047170873 /nfs/dbraw/zinc/17/08/73/1047170873.db2.gz MWVQTFOVUOWNHN-YOEHRIQHSA-N 1 0 341.842 4.193 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)ccc1OC ZINC000806147536 1047173748 /nfs/dbraw/zinc/17/37/48/1047173748.db2.gz XYXAJBOLYPCZIV-IXDOHACOSA-N 1 0 330.472 4.290 20 30 EIEDRO C[C@@H]([NH2+]CCCCOCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537407818 1047199635 /nfs/dbraw/zinc/19/96/35/1047199635.db2.gz RNRZOGXMIDYRHB-MRXNPFEDSA-N 1 0 326.415 4.345 20 30 EIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1Cl ZINC000537406819 1047200034 /nfs/dbraw/zinc/20/00/34/1047200034.db2.gz JFGSELKBGPRLEF-OLZOCXBDSA-N 1 0 332.806 4.469 20 30 EIEDRO C[N@@H+](CCCC#N)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000068831801 1047213524 /nfs/dbraw/zinc/21/35/24/1047213524.db2.gz RWTNRYKPUYDRQI-UHFFFAOYSA-N 1 0 328.435 4.164 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000788644242 1047258845 /nfs/dbraw/zinc/25/88/45/1047258845.db2.gz MIWSVMAEIZXHNZ-NVXWUHKLSA-N 1 0 341.842 4.193 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788692768 1047265090 /nfs/dbraw/zinc/26/50/90/1047265090.db2.gz PWKLNKAWQYKUOS-QZTJIDSGSA-N 1 0 330.472 4.374 20 30 EIEDRO CCCCCCCCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000918094743 1047321067 /nfs/dbraw/zinc/32/10/67/1047321067.db2.gz QBGDNXINDNYACK-UHFFFAOYSA-N 1 0 325.541 4.299 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(OCc3ccccc3F)CC2)cc1 ZINC000612112978 1047396740 /nfs/dbraw/zinc/39/67/40/1047396740.db2.gz SBWQEHIVJIBPJQ-UHFFFAOYSA-N 1 0 338.426 4.073 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)c1 ZINC000154695349 1047407695 /nfs/dbraw/zinc/40/76/95/1047407695.db2.gz SNYPAZNEXIWWRP-QRWLVFNGSA-N 1 0 342.389 4.423 20 30 EIEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)CCCC1(C#N)CCOCC1 ZINC000282075213 1047411676 /nfs/dbraw/zinc/41/16/76/1047411676.db2.gz TXWXIDYOCONCPA-HXUWFJFHSA-N 1 0 328.500 4.430 20 30 EIEDRO CC(C)(C)c1coc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000897944597 1047516798 /nfs/dbraw/zinc/51/67/98/1047516798.db2.gz IOLGZRRLOAWETH-UHFFFAOYSA-N 1 0 337.467 4.466 20 30 EIEDRO Cc1cccnc1N=NC1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000790188227 1047532970 /nfs/dbraw/zinc/53/29/70/1047532970.db2.gz WIWQDWDSNAZTGU-OALUTQOASA-N 1 0 334.467 4.090 20 30 EIEDRO C=C[C@H](CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000533914549 1047541735 /nfs/dbraw/zinc/54/17/35/1047541735.db2.gz XHPKLNVLOCSVKN-VAMGGRTRSA-N 1 0 342.527 4.221 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3nccnc3C3CCC3)CC2)C1 ZINC000807993569 1047567107 /nfs/dbraw/zinc/56/71/07/1047567107.db2.gz AMWIDMDHZDVYFN-CRAIPNDOSA-N 1 0 341.503 4.187 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1nccnc1C1CCC1 ZINC000807992057 1047567430 /nfs/dbraw/zinc/56/74/30/1047567430.db2.gz YYNQMSOVQRDZLM-MRXNPFEDSA-N 1 0 349.482 4.054 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000556220884 1047595505 /nfs/dbraw/zinc/59/55/05/1047595505.db2.gz CONLQHNROBNBRA-TXPKVOOTSA-N 1 0 332.463 4.212 20 30 EIEDRO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@@H]1CCSC1 ZINC000130617866 1047660802 /nfs/dbraw/zinc/66/08/02/1047660802.db2.gz AXBILDPMEWHLDV-LJQANCHMSA-N 1 0 338.476 4.075 20 30 EIEDRO C=CCN(CC(=O)Nc1c(C)cccc1Cl)Cc1cccs1 ZINC000130247485 1047661913 /nfs/dbraw/zinc/66/19/13/1047661913.db2.gz BOUIOGVLONRVED-UHFFFAOYSA-N 1 0 334.872 4.337 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000194747437 1047665594 /nfs/dbraw/zinc/66/55/94/1047665594.db2.gz BRVWRYJNYBDENA-QGZVFWFLSA-N 1 0 347.462 4.114 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCc2cccc3ccccc32)cc1 ZINC000237488104 1047669040 /nfs/dbraw/zinc/66/90/40/1047669040.db2.gz VECNWJVOWXTQBV-KRWDZBQOSA-N 1 0 330.431 4.463 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cc(F)cc(Cl)c3)CC2)cc1 ZINC000537538748 1047686552 /nfs/dbraw/zinc/68/65/52/1047686552.db2.gz WTQHXXSUSDBUPS-UHFFFAOYSA-N 1 0 343.833 4.427 20 30 EIEDRO CC(C)(C)c1ccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000556506995 1047801061 /nfs/dbraw/zinc/80/10/61/1047801061.db2.gz ZSYACAIOSDTVGK-UHFFFAOYSA-N 1 0 347.462 4.073 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556532480 1047811277 /nfs/dbraw/zinc/81/12/77/1047811277.db2.gz SXDAMWGIFXRRRT-OAHLLOKOSA-N 1 0 341.405 4.110 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(Br)cc1F ZINC000618742925 1047822384 /nfs/dbraw/zinc/82/23/84/1047822384.db2.gz TVGUYSODKKKEBZ-KRWDZBQOSA-N 1 0 345.215 4.237 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)nc1 ZINC000556574792 1047828220 /nfs/dbraw/zinc/82/82/20/1047828220.db2.gz SDIWPGAMRBYTEX-MSOLQXFVSA-N 1 0 345.368 4.398 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)nc1 ZINC000824230920 1047846182 /nfs/dbraw/zinc/84/61/82/1047846182.db2.gz DUDIBYYNRNZZLW-QFBILLFUSA-N 1 0 325.843 4.108 20 30 EIEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+][C@@H]3C[C@@H]4[C@H](C3)C4(C)C)cc(C#N)c21 ZINC001170728541 1047863641 /nfs/dbraw/zinc/86/36/41/1047863641.db2.gz VKNMPZREHREZDU-AQWZQNETSA-N 1 0 349.478 4.128 20 30 EIEDRO N#CC1(c2ccc(C[NH+]3CCC(Oc4ccccc4)CC3)cc2)CC1 ZINC000824575567 1047887240 /nfs/dbraw/zinc/88/72/40/1047887240.db2.gz JHUBXQKQYLOPIF-UHFFFAOYSA-N 1 0 332.447 4.285 20 30 EIEDRO COCc1ccccc1/C=C(/C)C=[NH+]n1cnnc1-c1ccccc1 ZINC000814216883 1047891634 /nfs/dbraw/zinc/89/16/34/1047891634.db2.gz HIRNHKAMRLQCNW-KPDPHHEUSA-N 1 0 332.407 4.029 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c1O ZINC000814229385 1047899428 /nfs/dbraw/zinc/89/94/28/1047899428.db2.gz NCJKPPSVKLOLMM-FQEVSTJZSA-N 1 0 338.451 4.107 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CCOCc2ccccc2)cc1 ZINC000808433337 1047943528 /nfs/dbraw/zinc/94/35/28/1047943528.db2.gz HPKLJZMQTZQRKD-ZWKOTPCHSA-N 1 0 338.451 4.062 20 30 EIEDRO CN(C)c1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1F ZINC000814305029 1047971870 /nfs/dbraw/zinc/97/18/70/1047971870.db2.gz VYTRWSUHHGGJKW-LJQANCHMSA-N 1 0 325.431 4.416 20 30 EIEDRO CCCCCCCCC[NH+]1CCN(c2snc(C)c2C#N)CC1 ZINC001170745720 1048008812 /nfs/dbraw/zinc/00/88/12/1048008812.db2.gz WEKMQTLHIJKELY-UHFFFAOYSA-N 1 0 334.533 4.196 20 30 EIEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c[nH]c4cccc(F)c34)C2)c1 ZINC001136985357 1048028655 /nfs/dbraw/zinc/02/86/55/1048028655.db2.gz CUKMHOVAPNYXHI-SFHVURJKSA-N 1 0 349.409 4.222 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCN(C)c3ccccc32)cc1 ZINC000825110269 1048037811 /nfs/dbraw/zinc/03/78/11/1048037811.db2.gz DQVWASZCYYINCO-NRFANRHFSA-N 1 0 334.463 4.150 20 30 EIEDRO C#Cc1cccc(C[NH2+]Cc2cc(Cl)c(OCC)c(OC)c2)c1 ZINC000825226514 1048053097 /nfs/dbraw/zinc/05/30/97/1048053097.db2.gz HTXWVBWLQINILC-UHFFFAOYSA-N 1 0 329.827 4.018 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](COC)c2cccc(Cl)c2)cc1 ZINC000808731831 1048096042 /nfs/dbraw/zinc/09/60/42/1048096042.db2.gz BVKFRLBDVIQGFP-MGPUTAFESA-N 1 0 343.854 4.390 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814658932 1048103679 /nfs/dbraw/zinc/10/36/79/1048103679.db2.gz RRMVIHMSTSKLRC-INIZCTEOSA-N 1 0 349.434 4.064 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814658933 1048104835 /nfs/dbraw/zinc/10/48/35/1048104835.db2.gz RRMVIHMSTSKLRC-MRXNPFEDSA-N 1 0 349.434 4.064 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000808769105 1048115610 /nfs/dbraw/zinc/11/56/10/1048115610.db2.gz SVPIQLWQPBHLRG-LHSJRXKWSA-N 1 0 334.394 4.235 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)n1 ZINC001171096900 1048161334 /nfs/dbraw/zinc/16/13/34/1048161334.db2.gz SHGVFXDSDBNUJO-HNNXBMFYSA-N 1 0 344.462 4.011 20 30 EIEDRO COc1ccc([N-][NH+]=C(C)c2cc(N)ccc2F)c(C(F)(F)F)c1 ZINC000814937303 1048250446 /nfs/dbraw/zinc/25/04/46/1048250446.db2.gz BHPGEBUGYRHYKJ-UHFFFAOYSA-N 1 0 341.308 4.271 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815020979 1048298647 /nfs/dbraw/zinc/29/86/47/1048298647.db2.gz IWECDZQWLFVCNV-LJQANCHMSA-N 1 0 337.419 4.163 20 30 EIEDRO C=C(C)CONC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000844487555 1048362698 /nfs/dbraw/zinc/36/26/98/1048362698.db2.gz HCLIYJNPZXDCDK-UHFFFAOYSA-N 1 0 331.460 4.080 20 30 EIEDRO C=CC[C@@H](C)C(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001144020163 1048369368 /nfs/dbraw/zinc/36/93/68/1048369368.db2.gz BEHQKCASFZZWMB-OXQOHEQNSA-N 1 0 326.484 4.181 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000809574086 1048404151 /nfs/dbraw/zinc/40/41/51/1048404151.db2.gz GKYYHTKTSMJTMB-OAQYLSRUSA-N 1 0 339.866 4.267 20 30 EIEDRO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001144075286 1048407921 /nfs/dbraw/zinc/40/79/21/1048407921.db2.gz LMDRUWJEZFVINB-SFHVURJKSA-N 1 0 328.500 4.006 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)cc1 ZINC000809608182 1048415556 /nfs/dbraw/zinc/41/55/56/1048415556.db2.gz OEDXXNWIHOKFET-UHFFFAOYSA-N 1 0 332.447 4.086 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000809610961 1048418541 /nfs/dbraw/zinc/41/85/41/1048418541.db2.gz LHOMXNUTJLMYRS-UHFFFAOYSA-N 1 0 346.474 4.477 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](COC)c2cccc(C(F)(F)F)c2)cc1 ZINC000809617998 1048422643 /nfs/dbraw/zinc/42/26/43/1048422643.db2.gz DBIAYIFAAYRXMY-GOSISDBHSA-N 1 0 333.353 4.164 20 30 EIEDRO C[NH+](C)CCCCC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000557043965 1048435304 /nfs/dbraw/zinc/43/53/04/1048435304.db2.gz AXLQCWPOZFOUTR-UHFFFAOYSA-N 1 0 337.423 4.021 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000809625182 1048442187 /nfs/dbraw/zinc/44/21/87/1048442187.db2.gz YTKPVYHEWQQXOF-XIKOKIGWSA-N 1 0 334.246 4.186 20 30 EIEDRO N#Cc1csc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)c1 ZINC000809699035 1048463201 /nfs/dbraw/zinc/46/32/01/1048463201.db2.gz LXXFEXXSKQZSEA-NRFANRHFSA-N 1 0 348.471 4.356 20 30 EIEDRO C#C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(Cl)cc1F ZINC000809699847 1048466823 /nfs/dbraw/zinc/46/68/23/1048466823.db2.gz TWQSRIHOHYABCD-GOSISDBHSA-N 1 0 335.850 4.482 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)/C=C(\C)c1ccccc1C)C(C)C ZINC001144197695 1048490025 /nfs/dbraw/zinc/49/00/25/1048490025.db2.gz KHXRABXXCJQQGZ-JENJNIGESA-N 1 0 340.511 4.213 20 30 EIEDRO CCCCCCCC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001131862306 1048506980 /nfs/dbraw/zinc/50/69/80/1048506980.db2.gz LLCGUTOQZBHENU-UHFFFAOYSA-N 1 0 330.516 4.127 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)nc1 ZINC000815618286 1048543920 /nfs/dbraw/zinc/54/39/20/1048543920.db2.gz IGWPRASBTUEAMU-OAQYLSRUSA-N 1 0 343.430 4.123 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(N2CCCOC2=O)cc1 ZINC000815627125 1048551057 /nfs/dbraw/zinc/55/10/57/1048551057.db2.gz ULIHVRFASYHWBS-OAHLLOKOSA-N 1 0 329.444 4.014 20 30 EIEDRO C=C(Br)C[NH2+]C/C(C)=C/c1ccccc1OC(F)F ZINC000810142530 1048646525 /nfs/dbraw/zinc/64/65/25/1048646525.db2.gz LBNDZNZJUTUPHX-JXMROGBWSA-N 1 0 332.188 4.190 20 30 EIEDRO COc1cc(C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)ccc1C#N ZINC000810168815 1048652277 /nfs/dbraw/zinc/65/22/77/1048652277.db2.gz FEEZCBFJWOJWEL-UHFFFAOYSA-N 1 0 346.377 4.075 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001171182464 1048673600 /nfs/dbraw/zinc/67/36/00/1048673600.db2.gz VKCYDHILIPHQIP-PWHSHALESA-N 1 0 347.506 4.132 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC001171186595 1048678520 /nfs/dbraw/zinc/67/85/20/1048678520.db2.gz XDECUUWZVAWKOM-VGOFRKELSA-N 1 0 327.431 4.263 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)CC2 ZINC000810217728 1048686547 /nfs/dbraw/zinc/68/65/47/1048686547.db2.gz AWYDWBVOFFREFH-VXKWHMMOSA-N 1 0 332.447 4.303 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000810217722 1048686568 /nfs/dbraw/zinc/68/65/68/1048686568.db2.gz AVVRCVVWQRQRHB-MSOLQXFVSA-N 1 0 347.245 4.176 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(-c2nccs2)cc1 ZINC001171189797 1048687444 /nfs/dbraw/zinc/68/74/44/1048687444.db2.gz MEJFFURCYIJNAO-HNNXBMFYSA-N 1 0 333.460 4.403 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(Br)ccc1F ZINC001171190673 1048695446 /nfs/dbraw/zinc/69/54/46/1048695446.db2.gz XMBMVYXZJJMXSD-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171192353 1048699463 /nfs/dbraw/zinc/69/94/63/1048699463.db2.gz MTCSODSBDLWJMA-QAPCUYQASA-N 1 0 329.447 4.133 20 30 EIEDRO COc1ccccc1CC1(C[NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171197765 1048719455 /nfs/dbraw/zinc/71/94/55/1048719455.db2.gz CFZDCRCIQAUIRC-QGZVFWFLSA-N 1 0 334.463 4.110 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)cc1 ZINC001144572069 1048733291 /nfs/dbraw/zinc/73/32/91/1048733291.db2.gz ORUKUNVRYFHHAU-JOCHJYFZSA-N 1 0 331.459 4.207 20 30 EIEDRO C=C[C@H](CC)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001144585398 1048738241 /nfs/dbraw/zinc/73/82/41/1048738241.db2.gz MUKIOZQMNDSKTF-MRXNPFEDSA-N 1 0 348.918 4.271 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccc(Cl)cn1)C1CC1 ZINC001171201458 1048759325 /nfs/dbraw/zinc/75/93/25/1048759325.db2.gz MATUHAMITRPMHJ-ORAYPTAESA-N 1 0 325.843 4.279 20 30 EIEDRO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171204186 1048768972 /nfs/dbraw/zinc/76/89/72/1048768972.db2.gz UJGHOHHQPLYYBD-ROUUACIJSA-N 1 0 336.479 4.451 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000845944260 1048770184 /nfs/dbraw/zinc/77/01/84/1048770184.db2.gz NZTDOXRKUQSPHQ-PKOBYXMFSA-N 1 0 327.516 4.056 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(OC)cc2OC)cc1 ZINC000075800600 1048777383 /nfs/dbraw/zinc/77/73/83/1048777383.db2.gz BNOBXVRMQLSXBS-OAHLLOKOSA-N 1 0 327.424 4.119 20 30 EIEDRO C[C@@]1(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]1(F)Cl ZINC000846037485 1048802286 /nfs/dbraw/zinc/80/22/86/1048802286.db2.gz NNOHXAPRKBUJBV-KGLIPLIRSA-N 1 0 334.744 4.371 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1)c1ccc(OCC#N)cc1 ZINC000846210202 1048848450 /nfs/dbraw/zinc/84/84/50/1048848450.db2.gz LKVQBPZMMHUROA-ORYQWCPZSA-N 1 0 336.435 4.160 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001171220534 1048851139 /nfs/dbraw/zinc/85/11/39/1048851139.db2.gz BJQCEHRZRHUOQD-GOSISDBHSA-N 1 0 333.479 4.221 20 30 EIEDRO COc1ccccc1C1CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171222996 1048857906 /nfs/dbraw/zinc/85/79/06/1048857906.db2.gz LAYBLBGMEPVPOW-QGZVFWFLSA-N 1 0 334.463 4.377 20 30 EIEDRO C[C@@H](C=[NH+]n1cnc2ccccc21)c1cccc(Br)c1 ZINC000747629132 1048859220 /nfs/dbraw/zinc/85/92/20/1048859220.db2.gz DNBJNIFONYXBPI-LBPRGKRZSA-N 1 0 328.213 4.436 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001171228355 1048866173 /nfs/dbraw/zinc/86/61/73/1048866173.db2.gz FWEWYDIZQRDXII-KRWDZBQOSA-N 1 0 329.447 4.241 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001171230806 1048870162 /nfs/dbraw/zinc/87/01/62/1048870162.db2.gz YGDJWTLABIORAB-YWZLYKJASA-N 1 0 340.467 4.495 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1c2ccc(F)cc2c2c1C[NH2+]CC2 ZINC001171231165 1048871402 /nfs/dbraw/zinc/87/14/02/1048871402.db2.gz HONBPGJSXGZDFJ-AWEZNQCLSA-N 1 0 333.410 4.101 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCc3cc(F)ccc32)cc(OC)c1OC ZINC000772946078 1048884678 /nfs/dbraw/zinc/88/46/78/1048884678.db2.gz JWYBXTQHXLBQIF-IBGZPJMESA-N 1 0 341.426 4.349 20 30 EIEDRO CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171242147 1048886457 /nfs/dbraw/zinc/88/64/57/1048886457.db2.gz GZVPMFQSMHSQRT-IHWFROFDSA-N 1 0 328.500 4.382 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)C)ccc1OC ZINC000237203613 1048893134 /nfs/dbraw/zinc/89/31/34/1048893134.db2.gz ZSRKTQRHHLVCRR-NQIIRXRSSA-N 1 0 347.499 4.191 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Cl)c([N+](=O)[O-])c3)CCC2)cc1 ZINC000847062704 1048992373 /nfs/dbraw/zinc/99/23/73/1048992373.db2.gz ZUXLWAVLPANBQX-UHFFFAOYSA-N 1 0 341.798 4.289 20 30 EIEDRO N#CC1(Nc2cc(F)cc3cc[nH]c32)CC[NH+](Cc2ccccc2)CC1 ZINC001171276797 1049017417 /nfs/dbraw/zinc/01/74/17/1049017417.db2.gz INCIZOPLZNBQQD-UHFFFAOYSA-N 1 0 348.425 4.277 20 30 EIEDRO CCOc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C ZINC001171277165 1049021313 /nfs/dbraw/zinc/02/13/13/1049021313.db2.gz LSDPMTQKMWWUQH-UHFFFAOYSA-N 1 0 349.478 4.364 20 30 EIEDRO Cc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1CC#N ZINC001171278212 1049032507 /nfs/dbraw/zinc/03/25/07/1049032507.db2.gz YYHYGNNAGPETQA-UHFFFAOYSA-N 1 0 344.462 4.031 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001136034092 1049050390 /nfs/dbraw/zinc/05/03/90/1049050390.db2.gz OVHHFFLSWKFBNX-QGZVFWFLSA-N 1 0 336.907 4.441 20 30 EIEDRO C=C[C@@H](CC)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC001136038013 1049052142 /nfs/dbraw/zinc/05/21/42/1049052142.db2.gz XSSPQKNSUMVKSX-YJBOKZPZSA-N 1 0 336.907 4.441 20 30 EIEDRO Cc1ccc(C)c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000609466632 1049076344 /nfs/dbraw/zinc/07/63/44/1049076344.db2.gz WUEKPVNOAAXSOG-IBGZPJMESA-N 1 0 337.442 4.073 20 30 EIEDRO Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000818110022 1049089305 /nfs/dbraw/zinc/08/93/05/1049089305.db2.gz RHCUGCHGHVTQRR-QGZVFWFLSA-N 1 0 341.842 4.275 20 30 EIEDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135244790 1049091627 /nfs/dbraw/zinc/09/16/27/1049091627.db2.gz JWBXSDBLRDKVNL-QGZVFWFLSA-N 1 0 334.463 4.486 20 30 EIEDRO C#C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000811516212 1049130244 /nfs/dbraw/zinc/13/02/44/1049130244.db2.gz GVNDMWSCXLZVBB-HXUWFJFHSA-N 1 0 330.903 4.401 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c(Cl)c1 ZINC000818332687 1049132052 /nfs/dbraw/zinc/13/20/52/1049132052.db2.gz OQSVKVKPEURRKA-ZDUSSCGKSA-N 1 0 330.815 4.102 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000818346187 1049140562 /nfs/dbraw/zinc/14/05/62/1049140562.db2.gz ALEZPWDHIQYPOJ-CUWPLCDZSA-N 1 0 328.500 4.309 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1SC(F)F ZINC000818356218 1049146984 /nfs/dbraw/zinc/14/69/84/1049146984.db2.gz LGNXHRZYFBHTLA-GMXVVIOVSA-N 1 0 326.412 4.353 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000772983179 1049202231 /nfs/dbraw/zinc/20/22/31/1049202231.db2.gz JURGMVPINLAHSZ-XLIONFOSSA-N 1 0 336.435 4.371 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000772983178 1049203856 /nfs/dbraw/zinc/20/38/56/1049203856.db2.gz JURGMVPINLAHSZ-PXNSSMCTSA-N 1 0 336.435 4.371 20 30 EIEDRO CC(C)(C[NH2+]C[C@H](O)c1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000819150641 1049265464 /nfs/dbraw/zinc/26/54/64/1049265464.db2.gz UGXPLAIRKIAGDZ-IBGZPJMESA-N 1 0 342.870 4.104 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2nc3c(cc2C#N)CCC3)CC1 ZINC000609704404 1049275484 /nfs/dbraw/zinc/27/54/84/1049275484.db2.gz XYPRWKOXUBULRY-INIZCTEOSA-N 1 0 346.478 4.079 20 30 EIEDRO C#CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819190187 1049276192 /nfs/dbraw/zinc/27/61/92/1049276192.db2.gz HWTWCINWCDUWSH-ZWKOTPCHSA-N 1 0 333.353 4.093 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000772986908 1049283010 /nfs/dbraw/zinc/28/30/10/1049283010.db2.gz FSLCRQFERPKUAF-OAHLLOKOSA-N 1 0 345.389 4.459 20 30 EIEDRO C=C(CC(C)C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001136222051 1049314095 /nfs/dbraw/zinc/31/40/95/1049314095.db2.gz GBMHPXIGMQSFPK-KRWDZBQOSA-N 1 0 328.500 4.137 20 30 EIEDRO [NH3+]C1CCC(N(c2cccc(/C=N/O)c2)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001170647485 1049315164 /nfs/dbraw/zinc/31/51/64/1049315164.db2.gz NVBIRWPKKGUSML-OYVYKANOSA-N 1 0 349.478 4.127 20 30 EIEDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(C2CC2)c(C#N)c1)c1ccccc1 ZINC001133088887 1049329520 /nfs/dbraw/zinc/32/95/20/1049329520.db2.gz YONUBTFQIHHTJY-NRFANRHFSA-N 1 0 347.462 4.457 20 30 EIEDRO N#Cc1ccccc1-c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000609845608 1049353464 /nfs/dbraw/zinc/35/34/64/1049353464.db2.gz CIAQNMRKBNYHJC-JOCHJYFZSA-N 1 0 345.490 4.285 20 30 EIEDRO C=C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)c1ccccc1 ZINC001136248586 1049355027 /nfs/dbraw/zinc/35/50/27/1049355027.db2.gz TYHCYAHZAGXOPS-NRFANRHFSA-N 1 0 336.479 4.113 20 30 EIEDRO C=CCC1(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCCCC1 ZINC001136254443 1049363447 /nfs/dbraw/zinc/36/34/47/1049363447.db2.gz OQHHCQDGJZBQFR-RTBURBONSA-N 1 0 334.548 4.387 20 30 EIEDRO C=CCCC[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001133168501 1049373431 /nfs/dbraw/zinc/37/34/31/1049373431.db2.gz YODPDGGQOWQIHX-FQEVSTJZSA-N 1 0 333.435 4.470 20 30 EIEDRO C[C@@H](CNc1cc(Cl)ccc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000609891573 1049382823 /nfs/dbraw/zinc/38/28/23/1049382823.db2.gz IIHKCUNIOVHZRQ-LBPRGKRZSA-N 1 0 331.872 4.132 20 30 EIEDRO N#Cc1ccc(Cl)cc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000609891560 1049383063 /nfs/dbraw/zinc/38/30/63/1049383063.db2.gz GECVRACTZCCIRU-UHFFFAOYSA-N 1 0 325.843 4.420 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1Cl ZINC000136673392 1049496077 /nfs/dbraw/zinc/49/60/77/1049496077.db2.gz DDUQHNGAGSXJHF-MRXNPFEDSA-N 1 0 335.875 4.486 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1cccc(C#N)c1 ZINC001171347844 1049504288 /nfs/dbraw/zinc/50/42/88/1049504288.db2.gz AVVOKLPCNNZHDW-FXAWDEMLSA-N 1 0 326.390 4.435 20 30 EIEDRO C=C(Cl)C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000773005793 1049516209 /nfs/dbraw/zinc/51/62/09/1049516209.db2.gz UCUZGYGEHPNQTL-OAHLLOKOSA-N 1 0 341.842 4.316 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1OC ZINC000136725960 1049516820 /nfs/dbraw/zinc/51/68/20/1049516820.db2.gz JDTCECFLPATKAX-SFHVURJKSA-N 1 0 345.483 4.232 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)cc1 ZINC000773013114 1049522518 /nfs/dbraw/zinc/52/25/18/1049522518.db2.gz WUSIORBPTWQSCE-KUHUBIRLSA-N 1 0 349.833 4.341 20 30 EIEDRO CC(C)c1nccnc1N=NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000773071961 1049566710 /nfs/dbraw/zinc/56/67/10/1049566710.db2.gz FJCMJYPSCAWQGM-NVXWUHKLSA-N 1 0 329.492 4.042 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2OC)cc1C#N ZINC000773077284 1049567439 /nfs/dbraw/zinc/56/74/39/1049567439.db2.gz QCFCTFXGPSLKHP-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000773118107 1049590648 /nfs/dbraw/zinc/59/06/48/1049590648.db2.gz YNIGBLQJMJMVBI-NQIIRXRSSA-N 1 0 334.463 4.375 20 30 EIEDRO C#C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000812795320 1049590930 /nfs/dbraw/zinc/59/09/30/1049590930.db2.gz QZLWFCWZXCCUTQ-WTNAPCKOSA-N 1 0 336.454 4.143 20 30 EIEDRO CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853230 1049613153 /nfs/dbraw/zinc/61/31/53/1049613153.db2.gz DANIBDFGYIEYEC-OXJNMPFZSA-N 1 0 327.855 4.136 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000237608537 1049659223 /nfs/dbraw/zinc/65/92/23/1049659223.db2.gz VZSVLVSAQHTUSC-ACJLOTCBSA-N 1 0 342.439 4.443 20 30 EIEDRO C#CCCCCC(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000773296929 1049699917 /nfs/dbraw/zinc/69/99/17/1049699917.db2.gz HETPQGBRLIAWCX-UHFFFAOYSA-N 1 0 339.483 4.115 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cccc(OC(F)F)c1 ZINC000237705773 1049707507 /nfs/dbraw/zinc/70/75/07/1049707507.db2.gz OZWKWOQBFNHQNY-UONOGXRCSA-N 1 0 346.377 4.430 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170985328 1049751892 /nfs/dbraw/zinc/75/18/92/1049751892.db2.gz MMZOXMVCFXRPPT-IBGZPJMESA-N 1 0 334.438 4.240 20 30 EIEDRO Cc1cccc2c1CC[C@@H](n1cc(CC[NH3+])c3cc(C#N)ccc31)C2 ZINC001171560687 1049757032 /nfs/dbraw/zinc/75/70/32/1049757032.db2.gz VUCMMEBXRKWXOG-LJQANCHMSA-N 1 0 329.447 4.053 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C#N)CC2)C[C@H]1C(C)(C)C ZINC001171599627 1049763844 /nfs/dbraw/zinc/76/38/44/1049763844.db2.gz CQOXFZSXCXEGMN-SJORKVTESA-N 1 0 349.519 4.036 20 30 EIEDRO N#Cc1cccc(C[NH2+]CCc2nc(C3CCCCC3)cs2)c1 ZINC000237846298 1049780968 /nfs/dbraw/zinc/78/09/68/1049780968.db2.gz ARGGYWXIZMUOJL-UHFFFAOYSA-N 1 0 325.481 4.395 20 30 EIEDRO CC[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171824692 1049802903 /nfs/dbraw/zinc/80/29/03/1049802903.db2.gz AACFTRANGHSPJW-XLSPSMHOSA-N 1 0 349.519 4.179 20 30 EIEDRO C#CC(CC)(CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829795 1049803700 /nfs/dbraw/zinc/80/37/00/1049803700.db2.gz OFMWNFBELNCSQC-MRXNPFEDSA-N 1 0 334.504 4.090 20 30 EIEDRO C[N@H+](C[C@H](O)c1cccc(C#N)c1)CC1CCC(c2ccccc2)CC1 ZINC001171791149 1049804454 /nfs/dbraw/zinc/80/44/54/1049804454.db2.gz APMWSLFYMRYACC-HCPAQRILSA-N 1 0 348.490 4.497 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(C)c(C)c1Cl)C(C)C ZINC001136650372 1049811436 /nfs/dbraw/zinc/81/14/36/1049811436.db2.gz YGTBEDGFQJARPC-SFHVURJKSA-N 1 0 348.918 4.385 20 30 EIEDRO CCCC[N@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171852752 1049813155 /nfs/dbraw/zinc/81/31/55/1049813155.db2.gz HABAZYOIHFXFEO-QGZVFWFLSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001171853625 1049813280 /nfs/dbraw/zinc/81/32/80/1049813280.db2.gz CJONSRZGQORNSQ-KPZWWZAWSA-N 1 0 330.353 4.395 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC001171861352 1049814437 /nfs/dbraw/zinc/81/44/37/1049814437.db2.gz AFQSHAYWUSECFX-INIZCTEOSA-N 1 0 342.483 4.453 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)c2ccccc2F)cc1 ZINC000813791609 1049817090 /nfs/dbraw/zinc/81/70/90/1049817090.db2.gz DLMXOBMAJWDWRL-UHFFFAOYSA-N 1 0 325.431 4.200 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001171920742 1049820464 /nfs/dbraw/zinc/82/04/64/1049820464.db2.gz MKOILVMKVKFQPH-KZNAEPCWSA-N 1 0 336.520 4.358 20 30 EIEDRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001171922300 1049828011 /nfs/dbraw/zinc/82/80/11/1049828011.db2.gz ZGSFSESIHBPUQT-UHFFFAOYSA-N 1 0 348.874 4.202 20 30 EIEDRO CC1(C)C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CCN1Cc1ccccc1 ZINC001171989150 1049832524 /nfs/dbraw/zinc/83/25/24/1049832524.db2.gz YTVLDBAZAQGIMU-MXEMCNAFSA-N 1 0 337.511 4.196 20 30 EIEDRO CC1(C)C[C@@H](NCc2csc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171977487 1049837079 /nfs/dbraw/zinc/83/70/79/1049837079.db2.gz BPYGJXRNLXTLAS-SFHVURJKSA-N 1 0 339.508 4.153 20 30 EIEDRO CN(Cc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987152 1049840911 /nfs/dbraw/zinc/84/09/11/1049840911.db2.gz PTOWCRROITUNQD-QFIPXVFZSA-N 1 0 347.506 4.433 20 30 EIEDRO CC(C)CN(CCC#N)Cc1cnc(CCc2ccccc2)s1 ZINC000823382821 1049842240 /nfs/dbraw/zinc/84/22/40/1049842240.db2.gz YLTBLOZHGCUAIJ-UHFFFAOYSA-N 1 0 327.497 4.300 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172048265 1049843027 /nfs/dbraw/zinc/84/30/27/1049843027.db2.gz GNQRBQWTGSEALJ-FXAWDEMLSA-N 1 0 348.531 4.480 20 30 EIEDRO CC(C)C[C@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066681 1049851454 /nfs/dbraw/zinc/85/14/54/1049851454.db2.gz CNENVHDBYOIORT-CIAFKFPVSA-N 1 0 339.527 4.490 20 30 EIEDRO CCC(C#N)(CC)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067089 1049852098 /nfs/dbraw/zinc/85/20/98/1049852098.db2.gz FEPCLNUWQQPFMH-OWZKRDHZSA-N 1 0 325.500 4.244 20 30 EIEDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000180165151 1049855226 /nfs/dbraw/zinc/85/52/26/1049855226.db2.gz YKFGPIMQLJGQCT-HOTGVXAUSA-N 1 0 348.450 4.370 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000823616829 1049862955 /nfs/dbraw/zinc/86/29/55/1049862955.db2.gz CCJBUJOEXBWJLM-SGTLLEGYSA-N 1 0 332.806 4.077 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CSc3ccccc3C2)c(C(F)(F)F)c1 ZINC001172203399 1049863597 /nfs/dbraw/zinc/86/35/97/1049863597.db2.gz WSVODFXHKCQBAO-HNNXBMFYSA-N 1 0 348.393 4.384 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC001172302004 1049873365 /nfs/dbraw/zinc/87/33/65/1049873365.db2.gz BVZUZKYJEAEQJE-JTSKRJEESA-N 1 0 327.431 4.263 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)ccc1C(F)(F)F ZINC001172303511 1049873871 /nfs/dbraw/zinc/87/38/71/1049873871.db2.gz YXZXKEBRLCPXJZ-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001172305536 1049873963 /nfs/dbraw/zinc/87/39/63/1049873963.db2.gz DVVBDFSAARQPBN-QGZVFWFLSA-N 1 0 338.495 4.160 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC001172306432 1049874056 /nfs/dbraw/zinc/87/40/56/1049874056.db2.gz XXZPWOXIQIZTGS-XIKOKIGWSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001172309997 1049874772 /nfs/dbraw/zinc/87/47/72/1049874772.db2.gz ZFOAQLDOJNJPBH-FDDCHVKYSA-N 1 0 341.458 4.396 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC001172289827 1049880964 /nfs/dbraw/zinc/88/09/64/1049880964.db2.gz ISZILSZFGHUPON-HTAPYJJXSA-N 1 0 327.431 4.263 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC001172291342 1049880981 /nfs/dbraw/zinc/88/09/81/1049880981.db2.gz XMIWXEZGHZJQPD-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO COc1cccc(CC(C)(C)C[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172300168 1049882817 /nfs/dbraw/zinc/88/28/17/1049882817.db2.gz RYEBIFVOTGRNJG-QGZVFWFLSA-N 1 0 336.479 4.356 20 30 EIEDRO COc1cccc(CC(C)(C)C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172300167 1049882964 /nfs/dbraw/zinc/88/29/64/1049882964.db2.gz RYEBIFVOTGRNJG-KRWDZBQOSA-N 1 0 336.479 4.356 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1cc(CC[NH3+])c2ccc(Cl)cc21 ZINC001172299738 1049883037 /nfs/dbraw/zinc/88/30/37/1049883037.db2.gz OIDQXUYTCJMFNK-CQSZACIVSA-N 1 0 337.854 4.471 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000823871478 1049883449 /nfs/dbraw/zinc/88/34/49/1049883449.db2.gz IWKVVBSLXZSVPR-NRAUKZCXSA-N 1 0 327.255 4.089 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000823949843 1049886016 /nfs/dbraw/zinc/88/60/16/1049886016.db2.gz WNQSOGGRAOHTJE-YMOUVLGOSA-N 1 0 341.282 4.477 20 30 EIEDRO CCCCCCC[C@@H](CC)N(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC001172345561 1049890437 /nfs/dbraw/zinc/89/04/37/1049890437.db2.gz AANNQKYAJYUIGO-QGZVFWFLSA-N 1 0 340.533 4.050 20 30 EIEDRO CCCCCCC[C@H](CC)n1cc(C[C@@H]([NH3+])C(N)=O)c2ccccc21 ZINC001172347545 1049891007 /nfs/dbraw/zinc/89/10/07/1049891007.db2.gz WVLHPLORRZNEBA-PKOBYXMFSA-N 1 0 343.515 4.308 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC001172350408 1049891495 /nfs/dbraw/zinc/89/14/95/1049891495.db2.gz NBHTVTWNTKOUCW-IBGZPJMESA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCC[C@@H](CC)N(c1ccccc1C[NH3+])S(C)(=O)=O ZINC001172349479 1049891537 /nfs/dbraw/zinc/89/15/37/1049891537.db2.gz CWWAZOBLVIXSOH-QGZVFWFLSA-N 1 0 340.533 4.050 20 30 EIEDRO C=C[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000823997505 1049892831 /nfs/dbraw/zinc/89/28/31/1049892831.db2.gz ZFMKDIZRMFDVEW-JQHSSLGASA-N 1 0 330.472 4.291 20 30 EIEDRO CCCCCCC[C@H](CC)[NH+]1C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001172356515 1049893915 /nfs/dbraw/zinc/89/39/15/1049893915.db2.gz WJGMBKNFPIRYSK-QRVBRYPASA-N 1 0 346.515 4.423 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC001172360073 1049895101 /nfs/dbraw/zinc/89/51/01/1049895101.db2.gz JAVDRGSKVDORFJ-HXUWFJFHSA-N 1 0 345.531 4.415 20 30 EIEDRO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H](CC)CCCCCCC ZINC001172358668 1049895213 /nfs/dbraw/zinc/89/52/13/1049895213.db2.gz SBDXIGYPFFNTEO-PKOBYXMFSA-N 1 0 348.535 4.056 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001172358805 1049895677 /nfs/dbraw/zinc/89/56/77/1049895677.db2.gz SDIOHVFIZVCWOI-QZTJIDSGSA-N 1 0 335.536 4.495 20 30 EIEDRO CC[C@H](C)OCC[C@@H](C)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001172362756 1049896604 /nfs/dbraw/zinc/89/66/04/1049896604.db2.gz XFNLBJZANDLYAD-SJORKVTESA-N 1 0 332.463 4.277 20 30 EIEDRO C[C@@H](Cc1ccccc1)[NH+]1CCC(Nc2cccc(OCC#N)c2)CC1 ZINC000824120275 1049898718 /nfs/dbraw/zinc/89/87/18/1049898718.db2.gz XOYFVWJRDIFNDH-SFHVURJKSA-N 1 0 349.478 4.096 20 30 EIEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](CC)CC(C)C)CC2 ZINC001172397541 1049907261 /nfs/dbraw/zinc/90/72/61/1049907261.db2.gz AKKDRCGCIPIOSZ-SFHVURJKSA-N 1 0 345.531 4.179 20 30 EIEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)CCCC#N)C2(O)CCCCC2)cc1 ZINC001172483069 1049909594 /nfs/dbraw/zinc/90/95/94/1049909594.db2.gz MVZYLRCXMFTBAW-FXAWDEMLSA-N 1 0 344.499 4.146 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1COc2c1ccc(Br)c2Cl ZINC001172482113 1049909700 /nfs/dbraw/zinc/90/97/00/1049909700.db2.gz BTNXQGHBJJFQMH-JOYOIKCWSA-N 1 0 343.652 4.208 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001172483753 1049910837 /nfs/dbraw/zinc/91/08/37/1049910837.db2.gz SZKPXFAGQXWGOB-IBGZPJMESA-N 1 0 347.506 4.380 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc2ncc(Br)cc2c1 ZINC001172486000 1049910856 /nfs/dbraw/zinc/91/08/56/1049910856.db2.gz XAXAMKINZKFXCF-GFCCVEGCSA-N 1 0 332.245 4.169 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1(c2ccccc2C(F)(F)F)CCOCC1 ZINC001172486498 1049911306 /nfs/dbraw/zinc/91/13/06/1049911306.db2.gz FPKAPVWQLNKGAJ-AWEZNQCLSA-N 1 0 340.389 4.383 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001172486806 1049911686 /nfs/dbraw/zinc/91/16/86/1049911686.db2.gz DLCIZFRQUVKBDI-ZBFHGGJFSA-N 1 0 329.444 4.155 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001172487966 1049920470 /nfs/dbraw/zinc/92/04/70/1049920470.db2.gz OVOCEYMCKLPIRW-CQSZACIVSA-N 1 0 340.389 4.383 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001172493793 1049921478 /nfs/dbraw/zinc/92/14/78/1049921478.db2.gz CYGQRPFKGIIINZ-MJGOQNOKSA-N 1 0 347.453 4.306 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]Cc1coc(-c2cccc(Br)c2)n1 ZINC001172492477 1049921859 /nfs/dbraw/zinc/92/18/59/1049921859.db2.gz SBUJTMQDEMVOOS-LBPRGKRZSA-N 1 0 348.244 4.276 20 30 EIEDRO COc1ccc2c(c1)c(C1CC[NH2+]CC1)cn2[C@H](C)CCCC#N ZINC001172498315 1049921909 /nfs/dbraw/zinc/92/19/09/1049921909.db2.gz LKZGEJPLBYHBFV-OAHLLOKOSA-N 1 0 325.456 4.372 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+]C1CCN(COC(C)=O)CC1 ZINC001172501191 1049922604 /nfs/dbraw/zinc/92/26/04/1049922604.db2.gz AMMOSCHGBPERBN-GOSISDBHSA-N 1 0 326.525 4.090 20 30 EIEDRO CC(C)Oc1ccccc1OC1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172500176 1049922837 /nfs/dbraw/zinc/92/28/37/1049922837.db2.gz KEEKTEYTIFFZBH-KRWDZBQOSA-N 1 0 330.472 4.399 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001172499361 1049923382 /nfs/dbraw/zinc/92/33/82/1049923382.db2.gz CZLMONIWGXTAQW-SFHVURJKSA-N 1 0 327.516 4.184 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+]C1(CC(=O)OC)CCOCC1 ZINC001172508893 1049925215 /nfs/dbraw/zinc/92/52/15/1049925215.db2.gz QFYQRRLZBBUSRW-QGZVFWFLSA-N 1 0 327.509 4.218 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCc2ccc(NC(=O)OC(C)(C)C)cc2C1 ZINC001172509116 1049925694 /nfs/dbraw/zinc/92/56/94/1049925694.db2.gz JUDUHFGKAVFUPI-OAHLLOKOSA-N 1 0 343.471 4.474 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001172506846 1049926153 /nfs/dbraw/zinc/92/61/53/1049926153.db2.gz KNXSXXVDWYTRBD-HNNXBMFYSA-N 1 0 342.874 4.093 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH+]1CCN(CCC(C)(C)O)CC1 ZINC001172512120 1049926952 /nfs/dbraw/zinc/92/69/52/1049926952.db2.gz ZIAWSOHYQIDXGG-IBGZPJMESA-N 1 0 326.569 4.294 20 30 EIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172560440 1049933755 /nfs/dbraw/zinc/93/37/55/1049933755.db2.gz IOVDNYZUAUNMDL-CLAROIROSA-N 1 0 341.495 4.149 20 30 EIEDRO N#Cc1cccc(N2CC[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)CC2)c1 ZINC001172567225 1049936853 /nfs/dbraw/zinc/93/68/53/1049936853.db2.gz BXNOKUXMMLVZJQ-IRLDBZIGSA-N 1 0 331.463 4.017 20 30 EIEDRO N#Cc1cccc(N2CC[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)c1 ZINC001172567221 1049937228 /nfs/dbraw/zinc/93/72/28/1049937228.db2.gz BXNOKUXMMLVZJQ-IFMALSPDSA-N 1 0 331.463 4.017 20 30 EIEDRO C[C@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ncc(C#N)s1 ZINC001172575913 1049941750 /nfs/dbraw/zinc/94/17/50/1049941750.db2.gz LEXUFOZZBQBPKE-SECBINFHSA-N 1 0 341.814 4.057 20 30 EIEDRO CC1(C)CC([N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC(C)(C)O1 ZINC001172661322 1049960170 /nfs/dbraw/zinc/96/01/70/1049960170.db2.gz SHGBOJVHQWOYQN-IBGZPJMESA-N 1 0 342.483 4.138 20 30 EIEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248860689 1050082450 /nfs/dbraw/zinc/08/24/50/1050082450.db2.gz PRAWUQFEQUPGFS-MRVWCRGKSA-N 1 0 339.252 4.191 20 30 EIEDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)N2CCCC2)c1 ZINC000181401389 1050115942 /nfs/dbraw/zinc/11/59/42/1050115942.db2.gz ZPDSRQQWBQONPA-VGOFRKELSA-N 1 0 349.478 4.055 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1cccc(C#N)c1 ZINC000181401820 1050116094 /nfs/dbraw/zinc/11/60/94/1050116094.db2.gz GADFZLXBISCSOM-IFXJQAMLSA-N 1 0 327.859 4.165 20 30 EIEDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CCCC1 ZINC000181397297 1050116125 /nfs/dbraw/zinc/11/61/25/1050116125.db2.gz QUMMAMPMJSFIRK-UWJYYQICSA-N 1 0 349.478 4.055 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1cccc(C#N)c1 ZINC000181401840 1050116336 /nfs/dbraw/zinc/11/63/36/1050116336.db2.gz GADFZLXBISCSOM-AUUYWEPGSA-N 1 0 327.859 4.165 20 30 EIEDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665231 1050197743 /nfs/dbraw/zinc/19/77/43/1050197743.db2.gz QQFVXLYPVHMCKR-YLJYHZDGSA-N 1 0 335.451 4.347 20 30 EIEDRO CC(=O)Nc1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc1C#N ZINC001212690387 1050201016 /nfs/dbraw/zinc/20/10/16/1050201016.db2.gz IXDPVBPDKRMMIT-UHFFFAOYSA-N 1 0 348.450 4.069 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(C#N)cc1 ZINC001172895731 1050232387 /nfs/dbraw/zinc/23/23/87/1050232387.db2.gz IGBWVLSSXPLHHY-KUHUBIRLSA-N 1 0 335.407 4.065 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccccc1C#N ZINC001173088160 1050280320 /nfs/dbraw/zinc/28/03/20/1050280320.db2.gz YGXMPQRZWGOWEX-ZDUSSCGKSA-N 1 0 334.341 4.178 20 30 EIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC001177657861 1050281387 /nfs/dbraw/zinc/28/13/87/1050281387.db2.gz QQYIATIQKXDVGB-WIYYLYMNSA-N 1 0 325.500 4.476 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC001173077452 1050291912 /nfs/dbraw/zinc/29/19/12/1050291912.db2.gz GBNVMEXFKSGWBV-NSHDSACASA-N 1 0 340.370 4.239 20 30 EIEDRO Cc1cc(C[NH2+]CCOc2ccccc2C(F)(F)F)ccc1C#N ZINC001177785200 1050301218 /nfs/dbraw/zinc/30/12/18/1050301218.db2.gz UFRNTKIVFQCXJE-UHFFFAOYSA-N 1 0 334.341 4.054 20 30 EIEDRO COc1ccc(C2([NH2+]CCCCC(C)(C)C#N)CCOCC2)cc1 ZINC000618286858 1050331877 /nfs/dbraw/zinc/33/18/77/1050331877.db2.gz SZPCYLHILABUJT-UHFFFAOYSA-N 1 0 330.472 4.011 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)c1cccc(F)c1)c1ccc(OCC#N)cc1 ZINC000181772679 1050333308 /nfs/dbraw/zinc/33/33/08/1050333308.db2.gz HCXDVNBREPSTIZ-OAHLLOKOSA-N 1 0 326.415 4.356 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000618304442 1050335667 /nfs/dbraw/zinc/33/56/67/1050335667.db2.gz AJYHDKCLDQHIHK-MRXNPFEDSA-N 1 0 342.405 4.132 20 30 EIEDRO COc1ccc([C@@H](C)CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181813297 1050342782 /nfs/dbraw/zinc/34/27/82/1050342782.db2.gz DWGMQPJUSACFAU-DLBZAZTESA-N 1 0 338.451 4.442 20 30 EIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219613 1050353500 /nfs/dbraw/zinc/35/35/00/1050353500.db2.gz OFBRUGAXVWUANB-JKSUJKDBSA-N 1 0 340.423 4.441 20 30 EIEDRO N#Cc1ccc(F)cc1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC001186639439 1050380660 /nfs/dbraw/zinc/38/06/60/1050380660.db2.gz FISPYNMBBUGMSJ-GOSISDBHSA-N 1 0 337.442 4.412 20 30 EIEDRO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H](CCCC)CC(C)C ZINC001173262832 1050387384 /nfs/dbraw/zinc/38/73/84/1050387384.db2.gz UREJCHTYJPLNOO-MJGOQNOKSA-N 1 0 348.535 4.005 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1(C)Cc2ccccc2C1 ZINC001178187916 1050399924 /nfs/dbraw/zinc/39/99/24/1050399924.db2.gz BNRSALBGYMFYQQ-UHFFFAOYSA-N 1 0 339.866 4.247 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(c3cccc(OC)c3)CC2)CC1 ZINC001173322669 1050414478 /nfs/dbraw/zinc/41/44/78/1050414478.db2.gz IALNJXLWKDHHRO-UHFFFAOYSA-N 1 0 329.484 4.388 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](Cc3cccc(OC)c3)C2)CC1 ZINC001173322637 1050415854 /nfs/dbraw/zinc/41/58/54/1050415854.db2.gz HMCKGVXMPLEWCE-MWXLCCTBSA-N 1 0 343.511 4.464 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000618561720 1050416807 /nfs/dbraw/zinc/41/68/07/1050416807.db2.gz WNXPJSSAILXBMU-GJYPPUQNSA-N 1 0 331.891 4.149 20 30 EIEDRO C=CCOC1CCC([N@H+](Cc2cc(C)no2)Cc2ccccc2)CC1 ZINC001173326804 1050417138 /nfs/dbraw/zinc/41/71/38/1050417138.db2.gz ROTDPTPOBWXJBO-UHFFFAOYSA-N 1 0 340.467 4.499 20 30 EIEDRO CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173327506 1050417583 /nfs/dbraw/zinc/41/75/83/1050417583.db2.gz DFMQEHVCZFCWOK-KUPNBSADSA-N 1 0 349.519 4.132 20 30 EIEDRO N#CCC1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC001173324888 1050417950 /nfs/dbraw/zinc/41/79/50/1050417950.db2.gz XAQNDZVOESLWAN-QOJXUVEWSA-N 1 0 333.273 4.498 20 30 EIEDRO C=CCOC1CCC([N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)CC1 ZINC001173326589 1050418183 /nfs/dbraw/zinc/41/81/83/1050418183.db2.gz LQDNBRPBVVFLKT-OQSMONGASA-N 1 0 349.478 4.030 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@H](C[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173324545 1050418308 /nfs/dbraw/zinc/41/83/08/1050418308.db2.gz PKOHCKSCDYBPST-LXPRWKDFSA-N 1 0 349.519 4.086 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cncn2Cc2ccc(Cl)cc2)CC1 ZINC001173333469 1050421680 /nfs/dbraw/zinc/42/16/80/1050421680.db2.gz MMHDESQHLWLUKW-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C3(C#N)CC3)cc1)CCC2 ZINC001178237615 1050421873 /nfs/dbraw/zinc/42/18/73/1050421873.db2.gz GSOPNJVARPQEFS-NRFANRHFSA-N 1 0 332.447 4.418 20 30 EIEDRO N#CCC1CCC([NH2+]C2(c3ccccc3Cl)CCOCC2)CC1 ZINC001173333365 1050421974 /nfs/dbraw/zinc/42/19/74/1050421974.db2.gz KFSBMGOFFVQUIR-UHFFFAOYSA-N 1 0 332.875 4.408 20 30 EIEDRO N#CCC1CCC([NH2+][C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC001173332872 1050422325 /nfs/dbraw/zinc/42/23/25/1050422325.db2.gz VFMNBMKEMPWCFO-ULNHQPMUSA-N 1 0 333.273 4.367 20 30 EIEDRO N#CCC1CCC([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC001173332076 1050422443 /nfs/dbraw/zinc/42/24/43/1050422443.db2.gz IIQOFAAFTVLBTO-UHFFFAOYSA-N 1 0 332.875 4.408 20 30 EIEDRO COc1cccc(-c2nc(C[NH2+]C3CCC(CC#N)CC3)cs2)c1 ZINC001173331682 1050422567 /nfs/dbraw/zinc/42/25/67/1050422567.db2.gz FLHKNFXZZBOOOL-UHFFFAOYSA-N 1 0 341.480 4.381 20 30 EIEDRO N#CCC1CCC([N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001173333284 1050423224 /nfs/dbraw/zinc/42/32/24/1050423224.db2.gz MYPYTNRQVLXGCT-PLAFWNHUSA-N 1 0 338.495 4.498 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCC(CC#N)CC2)C(C)(C)C1 ZINC001173334666 1050424095 /nfs/dbraw/zinc/42/40/95/1050424095.db2.gz ZMIGYSPEVWKAIQ-JCYILVPMSA-N 1 0 349.519 4.084 20 30 EIEDRO N#CCC1CCC([NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)CC1 ZINC001173334114 1050425251 /nfs/dbraw/zinc/42/52/51/1050425251.db2.gz USZVRIMHILQNMA-VEDCXYSMSA-N 1 0 338.495 4.498 20 30 EIEDRO C[N@H+](C1CCC(CC#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001173338798 1050427717 /nfs/dbraw/zinc/42/77/17/1050427717.db2.gz AHEZSMUYZBNRBG-DQVLVPHSSA-N 1 0 325.500 4.055 20 30 EIEDRO CC(C)[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173341003 1050429788 /nfs/dbraw/zinc/42/97/88/1050429788.db2.gz PNWJEJSEWLVIOH-ABHNRTSZSA-N 1 0 349.519 4.179 20 30 EIEDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173340686 1050430099 /nfs/dbraw/zinc/43/00/99/1050430099.db2.gz JPPUVULWBCOUCL-PPSBMQLTSA-N 1 0 326.440 4.083 20 30 EIEDRO COc1cccc([C@@H]2CSCC[N@@H+]2C2CCC(CC#N)CC2)c1 ZINC001173341373 1050430373 /nfs/dbraw/zinc/43/03/73/1050430373.db2.gz UVXKQIQXMJYNEU-KVWWFHCMSA-N 1 0 330.497 4.258 20 30 EIEDRO CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173341521 1050430656 /nfs/dbraw/zinc/43/06/56/1050430656.db2.gz YMUFBPUVIIHCPG-LXPRWKDFSA-N 1 0 349.519 4.038 20 30 EIEDRO C=CCOCc1nn([C@@H]2CCCC3(CCCCC3)C2)c2c1C[NH2+]C2 ZINC001173344451 1050433723 /nfs/dbraw/zinc/43/37/23/1050433723.db2.gz NMACNERUMQRCKX-MRXNPFEDSA-N 1 0 329.488 4.255 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2nc(-c3ccccc3)cs2)CC1 ZINC001173314954 1050438279 /nfs/dbraw/zinc/43/82/79/1050438279.db2.gz XKPWCDZNCNBDLC-UHFFFAOYSA-N 1 0 328.481 4.414 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC001173314955 1050439580 /nfs/dbraw/zinc/43/95/80/1050439580.db2.gz XODQARAXUSQDLE-UHFFFAOYSA-N 1 0 342.252 4.192 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H](CC(=O)OC(C)(C)C)CC(C)C)CC1 ZINC001173317500 1050440635 /nfs/dbraw/zinc/44/06/35/1050440635.db2.gz ZOCRHNHOMPIXGH-ADKAHSJRSA-N 1 0 339.520 4.236 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H]2CCN(Cc3ccccc3Cl)C2)CC1 ZINC001173317312 1050440858 /nfs/dbraw/zinc/44/08/58/1050440858.db2.gz VLNCHPSJDWYLMU-XBMUEBEBSA-N 1 0 348.918 4.018 20 30 EIEDRO C=CCOC1CCC(Nc2ccc(C[NH3+])c(C(F)(F)F)c2)CC1 ZINC001173317531 1050441141 /nfs/dbraw/zinc/44/11/41/1050441141.db2.gz DXSQHSJYOMFECN-UHFFFAOYSA-N 1 0 328.378 4.090 20 30 EIEDRO C=CCOC1CCC([NH2+]C2(Cc3cccc(F)c3)CCOCC2)CC1 ZINC001173318333 1050441481 /nfs/dbraw/zinc/44/14/81/1050441481.db2.gz ZRYVCUHSZIIYRJ-UHFFFAOYSA-N 1 0 347.474 4.021 20 30 EIEDRO C=CCOC1CCC([N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC001173320470 1050441533 /nfs/dbraw/zinc/44/15/33/1050441533.db2.gz OOKJKIRTNGCSRR-UHFFFAOYSA-N 1 0 338.289 4.395 20 30 EIEDRO C=CCOC1CCC([NH2+]C2(c3ccccc3Cl)CCOCC2)CC1 ZINC001173319120 1050441812 /nfs/dbraw/zinc/44/18/12/1050441812.db2.gz YWYQEVLICBZPLZ-UHFFFAOYSA-N 1 0 349.902 4.449 20 30 EIEDRO CC[N@H+](CCCNc1ncc(Cl)c(C)c1C#N)C1CCCCC1 ZINC001186930704 1050442387 /nfs/dbraw/zinc/44/23/87/1050442387.db2.gz PDGKNGRGDULDSH-UHFFFAOYSA-N 1 0 334.895 4.372 20 30 EIEDRO CCCCCCCC[NH2+]C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001173398900 1050445721 /nfs/dbraw/zinc/44/57/21/1050445721.db2.gz CLIXNLRUTGEUTL-UHFFFAOYSA-N 1 0 346.515 4.250 20 30 EIEDRO Cc1cc(C#N)c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC001186916716 1050446440 /nfs/dbraw/zinc/44/64/40/1050446440.db2.gz HAAIDDNNRWRMAD-UHFFFAOYSA-N 1 0 339.464 4.166 20 30 EIEDRO CC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCCCC1 ZINC001178326873 1050446743 /nfs/dbraw/zinc/44/67/43/1050446743.db2.gz SNSALQCSJYVAQL-UHFFFAOYSA-N 1 0 325.500 4.477 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000182082557 1050457165 /nfs/dbraw/zinc/45/71/65/1050457165.db2.gz GGNOXDONNKRGNK-DLBZAZTESA-N 1 0 338.451 4.127 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC001173589750 1050495116 /nfs/dbraw/zinc/49/51/16/1050495116.db2.gz JLZSTXZXFNHZGB-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001173586017 1050492709 /nfs/dbraw/zinc/49/27/09/1050492709.db2.gz DDAVKIMVRUBPFB-UHFFFAOYSA-N 1 0 330.325 4.286 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccccc2)[C@H](N)c2ccccc2)CC1 ZINC001173586766 1050492818 /nfs/dbraw/zinc/49/28/18/1050492818.db2.gz FRKJDAXLXQTYFU-PWAJEDTMSA-N 1 0 333.479 4.490 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001173590279 1050494502 /nfs/dbraw/zinc/49/45/02/1050494502.db2.gz CYKOMGOKVJVYJP-LXPRWKDFSA-N 1 0 347.300 4.368 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001173588438 1050494842 /nfs/dbraw/zinc/49/48/42/1050494842.db2.gz HUBRRAWNZBVSEY-UHFFFAOYSA-N 1 0 325.239 4.238 20 30 EIEDRO CN(CC1CC[NH+](C2CCC(C)(C#N)CC2)CC1)C(=O)OC(C)(C)C ZINC001173596419 1050496889 /nfs/dbraw/zinc/49/68/89/1050496889.db2.gz WEUXKABLTGWKEJ-UHFFFAOYSA-N 1 0 349.519 4.038 20 30 EIEDRO CC[N@H+]([C@H]1CCN(Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173598938 1050498732 /nfs/dbraw/zinc/49/87/32/1050498732.db2.gz WQDJAKOBMDEXRZ-KBWCOIMZSA-N 1 0 325.500 4.055 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](CO)CC2CCCC2)cc1Cl ZINC001178584020 1050499712 /nfs/dbraw/zinc/49/97/12/1050499712.db2.gz CRDQJDQSWRYHKR-QGZVFWFLSA-N 1 0 337.891 4.183 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001173599091 1050499932 /nfs/dbraw/zinc/49/99/32/1050499932.db2.gz ZEEWDMVHUUCUJV-CTWPCTMYSA-N 1 0 332.875 4.360 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001173600910 1050501215 /nfs/dbraw/zinc/50/12/15/1050501215.db2.gz MGGHWIHNBXDVNT-UHFFFAOYSA-N 1 0 337.511 4.057 20 30 EIEDRO CCCOc1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000618741207 1050501627 /nfs/dbraw/zinc/50/16/27/1050501627.db2.gz DLEUNEGYESOPQL-IBGZPJMESA-N 1 0 336.435 4.133 20 30 EIEDRO CN(Cc1cccc(F)c1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600895 1050502840 /nfs/dbraw/zinc/50/28/40/1050502840.db2.gz LYFLZXSVAVXLMI-UHFFFAOYSA-N 1 0 343.490 4.194 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(OC(F)F)cc1 ZINC000618802268 1050520141 /nfs/dbraw/zinc/52/01/41/1050520141.db2.gz HRAAKQSLBXTAJM-KZULUSFZSA-N 1 0 328.362 4.498 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618804074 1050533877 /nfs/dbraw/zinc/53/38/77/1050533877.db2.gz JZDMRGHGZHUEPR-OALUTQOASA-N 1 0 334.419 4.058 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3cc(C#N)ccc31)CCS2 ZINC000618807374 1050536962 /nfs/dbraw/zinc/53/69/62/1050536962.db2.gz YPILLCSZWDQCER-OALUTQOASA-N 1 0 336.460 4.381 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000155530316 1050551727 /nfs/dbraw/zinc/55/17/27/1050551727.db2.gz FCGZGCAKKWEMDF-IRLDBZIGSA-N 1 0 332.447 4.226 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccccc3C(F)(F)F)sc2C1 ZINC001173842093 1050607796 /nfs/dbraw/zinc/60/77/96/1050607796.db2.gz ZFXXMHDYVNDMDY-UHFFFAOYSA-N 1 0 337.370 4.370 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC001179044688 1050614923 /nfs/dbraw/zinc/61/49/23/1050614923.db2.gz NFJGNHNDYTUNHM-QZTJIDSGSA-N 1 0 334.891 4.011 20 30 EIEDRO N#CCc1ccc(C[NH2+]Cc2cccc(F)c2OC(F)(F)F)cc1 ZINC001179028356 1050620085 /nfs/dbraw/zinc/62/00/85/1050620085.db2.gz PSSZDAYNPKSMID-UHFFFAOYSA-N 1 0 338.304 4.080 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC001179095913 1050633287 /nfs/dbraw/zinc/63/32/87/1050633287.db2.gz QDOWQEPBSXNSQA-CVEARBPZSA-N 1 0 330.230 4.146 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@H](O)c2cccc3ccccc32)c1 ZINC001179122942 1050637031 /nfs/dbraw/zinc/63/70/31/1050637031.db2.gz IWDMKMMJRRRRBS-QFIPXVFZSA-N 1 0 333.431 4.228 20 30 EIEDRO CCc1ccc(C)[nH+]c1NCc1cc(C#N)ccc1Br ZINC001179141189 1050640545 /nfs/dbraw/zinc/64/05/45/1050640545.db2.gz XHHTUJOVIPNOAS-UHFFFAOYSA-N 1 0 330.229 4.199 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C2(COC)CCCCC2)ccc1OC ZINC001179242508 1050657417 /nfs/dbraw/zinc/65/74/17/1050657417.db2.gz GTDJOBPKXZQZEG-UHFFFAOYSA-N 1 0 333.472 4.089 20 30 EIEDRO CC[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC001179304786 1050667223 /nfs/dbraw/zinc/66/72/23/1050667223.db2.gz TXCJDOWVHMNWLW-MSOLQXFVSA-N 1 0 325.500 4.333 20 30 EIEDRO C#CC1([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCCC1 ZINC001179437211 1050691642 /nfs/dbraw/zinc/69/16/42/1050691642.db2.gz CMLJFGFGECPSSM-UHFFFAOYSA-N 1 0 330.431 4.173 20 30 EIEDRO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]Cc1ccc(C#N)cc1 ZINC000619200005 1050701329 /nfs/dbraw/zinc/70/13/29/1050701329.db2.gz VDJWBXKQMNPSGN-UHFFFAOYSA-N 1 0 344.462 4.159 20 30 EIEDRO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001179464669 1050701339 /nfs/dbraw/zinc/70/13/39/1050701339.db2.gz XCXUXGLXCPYVDY-RRQGHBQHSA-N 1 0 348.284 4.129 20 30 EIEDRO N#Cc1c(F)cc(Nc2ccc(CC[NH+]3CCCC3)cc2)cc1F ZINC001203675712 1050704642 /nfs/dbraw/zinc/70/46/42/1050704642.db2.gz WYWJAYJFRUHAKW-UHFFFAOYSA-N 1 0 327.378 4.218 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(F)cc(OC)c2)ccc1OC ZINC000093970653 1050732005 /nfs/dbraw/zinc/73/20/05/1050732005.db2.gz OVBDVBRVXXHSMD-UHFFFAOYSA-N 1 0 345.414 4.088 20 30 EIEDRO CC(C)Oc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001174108319 1050734539 /nfs/dbraw/zinc/73/45/39/1050734539.db2.gz AMDFEZHJQABNIJ-UHFFFAOYSA-N 1 0 327.453 4.138 20 30 EIEDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508364 1050794145 /nfs/dbraw/zinc/79/41/45/1050794145.db2.gz JKQKXLUMLUOUDL-UXHICEINSA-N 1 0 348.446 4.448 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000619508148 1050797822 /nfs/dbraw/zinc/79/78/22/1050797822.db2.gz NCSPFLMZQXHTDD-MGPUTAFESA-N 1 0 348.446 4.448 20 30 EIEDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000619512090 1050798768 /nfs/dbraw/zinc/79/87/68/1050798768.db2.gz YRVWOQFQXXQTPE-UHFFFAOYSA-N 1 0 344.462 4.362 20 30 EIEDRO Cc1cc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)ccc1C#N ZINC001179855025 1050799503 /nfs/dbraw/zinc/79/95/03/1050799503.db2.gz MHSAPDQXQBRQKH-QFIPXVFZSA-N 1 0 334.463 4.129 20 30 EIEDRO COc1cc2c(N[C@@H]3CCc4cc(C#N)ccc43)cc[nH+]c2cc1F ZINC000619498535 1050800891 /nfs/dbraw/zinc/80/08/91/1050800891.db2.gz WNWLVRIBOKXWLK-QGZVFWFLSA-N 1 0 333.366 4.354 20 30 EIEDRO N#CCC1(C[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000619530060 1050804926 /nfs/dbraw/zinc/80/49/26/1050804926.db2.gz VEDNZGINBFRIOL-UHFFFAOYSA-N 1 0 329.447 4.473 20 30 EIEDRO C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C(F)(F)F)cc1 ZINC000619620021 1050841221 /nfs/dbraw/zinc/84/12/21/1050841221.db2.gz NUHFXMNSBHUCFH-UHFFFAOYSA-N 1 0 340.389 4.238 20 30 EIEDRO COc1cc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)ccc1C#N ZINC000619674361 1050852050 /nfs/dbraw/zinc/85/20/50/1050852050.db2.gz OCUODWKNVJUURB-IBGZPJMESA-N 1 0 345.446 4.428 20 30 EIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)C12CCCCC2 ZINC001180097109 1050865724 /nfs/dbraw/zinc/86/57/24/1050865724.db2.gz BCCPCGWNTBDGGI-UXHICEINSA-N 1 0 342.483 4.127 20 30 EIEDRO CCC(CC)[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000775209484 1050867245 /nfs/dbraw/zinc/86/72/45/1050867245.db2.gz BIAOBFPKYOAYQX-PKOBYXMFSA-N 1 0 328.481 4.420 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619754748 1050883140 /nfs/dbraw/zinc/88/31/40/1050883140.db2.gz JQKBVJRVJZNFOD-LJQANCHMSA-N 1 0 326.827 4.387 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1Cl ZINC000619755102 1050885035 /nfs/dbraw/zinc/88/50/35/1050885035.db2.gz TWJAHQHYGQGYEF-QGZVFWFLSA-N 1 0 330.790 4.354 20 30 EIEDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755758 1050885090 /nfs/dbraw/zinc/88/50/90/1050885090.db2.gz RPFLPMHHKCLZQY-ZDUSSCGKSA-N 1 0 338.842 4.199 20 30 EIEDRO COc1nc2ccccc2cc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748371 1050893730 /nfs/dbraw/zinc/89/37/30/1050893730.db2.gz BZGVXEGVTWNENY-UHFFFAOYSA-N 1 0 337.810 4.058 20 30 EIEDRO Cc1nc2ccc(C[NH2+]Cc3ccc(C#N)c(Cl)c3)cc2s1 ZINC000619748918 1050895877 /nfs/dbraw/zinc/89/58/77/1050895877.db2.gz SLBLEIGXYDIMRS-UHFFFAOYSA-N 1 0 327.840 4.420 20 30 EIEDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748894 1050896548 /nfs/dbraw/zinc/89/65/48/1050896548.db2.gz XVKNDMKWRNFCSS-NTUHNPAUSA-N 1 0 341.798 4.313 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000182935366 1050908692 /nfs/dbraw/zinc/90/86/92/1050908692.db2.gz MLXQQSONUQNXQB-CABCVRRESA-N 1 0 339.439 4.063 20 30 EIEDRO Cc1cc(Cl)c2ncc(C#N)c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000619791996 1050917098 /nfs/dbraw/zinc/91/70/98/1050917098.db2.gz NOOIKZHSGHROBS-GJZGRUSLSA-N 1 0 340.858 4.107 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1O ZINC000619847234 1050926253 /nfs/dbraw/zinc/92/62/53/1050926253.db2.gz DBYVSHUMDAXJLD-ZDUSSCGKSA-N 1 0 344.842 4.037 20 30 EIEDRO CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC001180194483 1050928685 /nfs/dbraw/zinc/92/86/85/1050928685.db2.gz DZQCHPMEDSVANY-AWEZNQCLSA-N 1 0 343.421 4.486 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC001174573557 1051059911 /nfs/dbraw/zinc/05/99/11/1051059911.db2.gz FUDFHJWBXVYPJH-MOPGFXCFSA-N 1 0 326.484 4.391 20 30 EIEDRO C[C@H](Cc1ccno1)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001180812343 1051090417 /nfs/dbraw/zinc/09/04/17/1051090417.db2.gz ZCIFUXKQJSOKMN-CVEARBPZSA-N 1 0 331.419 4.495 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1cccc(C#N)c1 ZINC000775337221 1051095033 /nfs/dbraw/zinc/09/50/33/1051095033.db2.gz CJVNAUBZTFYSNG-HNNXBMFYSA-N 1 0 329.403 4.001 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000763619725 1051139354 /nfs/dbraw/zinc/13/93/54/1051139354.db2.gz AZXICNCTWVGZRX-CYBMUJFWSA-N 1 0 332.806 4.402 20 30 EIEDRO C=CCOCC[N@H+](Cc1ccc(Br)cc1)C(C)(C)C ZINC001174789907 1051173416 /nfs/dbraw/zinc/17/34/16/1051173416.db2.gz PXBFRGUHFJFIQV-UHFFFAOYSA-N 1 0 326.278 4.252 20 30 EIEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC001181360959 1051209040 /nfs/dbraw/zinc/20/90/40/1051209040.db2.gz KRUOONWREPGGKH-QUCCMNQESA-N 1 0 330.516 4.435 20 30 EIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775403628 1051244153 /nfs/dbraw/zinc/24/41/53/1051244153.db2.gz HQRBBYALIBBVBN-KRWDZBQOSA-N 1 0 348.556 4.251 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001190699867 1051246736 /nfs/dbraw/zinc/24/67/36/1051246736.db2.gz PGJFYDIMDWACRZ-UHFFFAOYSA-N 1 0 349.474 4.122 20 30 EIEDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC001190713223 1051252413 /nfs/dbraw/zinc/25/24/13/1051252413.db2.gz IJNTYPOZLMKRGN-QGZVFWFLSA-N 1 0 349.519 4.182 20 30 EIEDRO C#C[C@H]([NH2+]CC1(CCC)CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001181577426 1051254850 /nfs/dbraw/zinc/25/48/50/1051254850.db2.gz SYGBRAUEEVQXJE-KRWDZBQOSA-N 1 0 336.520 4.051 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000775415216 1051287500 /nfs/dbraw/zinc/28/75/00/1051287500.db2.gz LTQYROGJMWWNQZ-NHCUHLMSSA-N 1 0 332.447 4.039 20 30 EIEDRO C[C@H](O)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC001190855567 1051293031 /nfs/dbraw/zinc/29/30/31/1051293031.db2.gz TVDSZRIBJJSALL-HNNXBMFYSA-N 1 0 339.401 4.072 20 30 EIEDRO N#CC1CCC(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC001175014004 1051297016 /nfs/dbraw/zinc/29/70/16/1051297016.db2.gz CAIPHQBDOXRBNC-LBXVMSDZSA-N 1 0 339.483 4.132 20 30 EIEDRO N#Cc1ccccc1NC1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC001174983853 1051304993 /nfs/dbraw/zinc/30/49/93/1051304993.db2.gz LHTVTUCJDLMRIO-UHFFFAOYSA-N 1 0 342.446 4.183 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775423851 1051311543 /nfs/dbraw/zinc/31/15/43/1051311543.db2.gz RNHKMVABGPRMFS-LRDDRELGSA-N 1 0 327.440 4.153 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000775424969 1051313217 /nfs/dbraw/zinc/31/32/17/1051313217.db2.gz VPVJDTDCDYXCOD-RBUKOAKNSA-N 1 0 344.817 4.051 20 30 EIEDRO N#CCc1cccc2c1CC[N@@H+](CCn1ccc3cc(Cl)ccc31)C2 ZINC001175062560 1051314741 /nfs/dbraw/zinc/31/47/41/1051314741.db2.gz QZTZNNGMROVTMS-UHFFFAOYSA-N 1 0 349.865 4.419 20 30 EIEDRO CCCCCCCCNC(=O)NC1CC[NH+](CC(C)(C)C)CC1 ZINC001191076263 1051342760 /nfs/dbraw/zinc/34/27/60/1051342760.db2.gz CTBHVODQXKFXQF-UHFFFAOYSA-N 1 0 325.541 4.157 20 30 EIEDRO CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H](COC)Cc1ccccc1 ZINC001191454128 1051457520 /nfs/dbraw/zinc/45/75/20/1051457520.db2.gz MLSFQTGNYXFOFZ-OAQYLSRUSA-N 1 0 341.882 4.271 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000774145863 1051479928 /nfs/dbraw/zinc/47/99/28/1051479928.db2.gz CIMPDRCADVYVOW-KKSFZXQISA-N 1 0 347.462 4.487 20 30 EIEDRO C[C@H](C#N)CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000183830941 1051480290 /nfs/dbraw/zinc/48/02/90/1051480290.db2.gz YNTHGBAMMSJKEN-GFCCVEGCSA-N 1 0 345.786 4.290 20 30 EIEDRO N#Cc1ccccc1OCC[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001191626408 1051494015 /nfs/dbraw/zinc/49/40/15/1051494015.db2.gz IIWKUWHZDMMCHB-UNMCSNQZSA-N 1 0 332.447 4.338 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000774180756 1051506077 /nfs/dbraw/zinc/50/60/77/1051506077.db2.gz PLIUZJAWCRMEQN-YADHBBJMSA-N 1 0 330.431 4.486 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCc3occc32)cc(OC)c1OC ZINC000774238877 1051512144 /nfs/dbraw/zinc/51/21/44/1051512144.db2.gz DRWYXLHKBLMIQI-QGZVFWFLSA-N 1 0 327.424 4.193 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000774240196 1051513176 /nfs/dbraw/zinc/51/31/76/1051513176.db2.gz IZIJNJCGBMZHMF-ZWKOTPCHSA-N 1 0 348.368 4.351 20 30 EIEDRO C=CCC1([NH2+]Cc2cccc(C(=O)NCC(C)C)c2)CCCCC1 ZINC001175372105 1051558781 /nfs/dbraw/zinc/55/87/81/1051558781.db2.gz QRAJUAPCDCTFFF-UHFFFAOYSA-N 1 0 328.500 4.441 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001182442431 1051565408 /nfs/dbraw/zinc/56/54/08/1051565408.db2.gz VLDTTXPGWDWUHT-ZWKOTPCHSA-N 1 0 331.504 4.021 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000774382154 1051569418 /nfs/dbraw/zinc/56/94/18/1051569418.db2.gz SDULGOHWICFWEA-GYSYKLTISA-N 1 0 325.239 4.489 20 30 EIEDRO CC[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1ccc(C#N)cc1 ZINC000774355629 1051573592 /nfs/dbraw/zinc/57/35/92/1051573592.db2.gz VLAJONSHOVKBOR-QGZVFWFLSA-N 1 0 343.471 4.046 20 30 EIEDRO C=CCCCC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001191881647 1051575373 /nfs/dbraw/zinc/57/53/73/1051575373.db2.gz KRQCOBJHWZKYRJ-INIZCTEOSA-N 1 0 329.419 4.411 20 30 EIEDRO C=CCCCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC001191881648 1051576152 /nfs/dbraw/zinc/57/61/52/1051576152.db2.gz KRQCOBJHWZKYRJ-MRXNPFEDSA-N 1 0 329.419 4.411 20 30 EIEDRO COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2CCC(C)C)c1C#N ZINC001191920793 1051583944 /nfs/dbraw/zinc/58/39/44/1051583944.db2.gz PGUQXCTYBZQQMQ-KRWDZBQOSA-N 1 0 328.456 4.136 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2cc(Cl)c(OC)cc2Cl)CC1 ZINC000157272638 1051622356 /nfs/dbraw/zinc/62/23/56/1051622356.db2.gz MZMMITQKKGANQF-UHFFFAOYSA-N 1 0 343.298 4.132 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001182532567 1051632991 /nfs/dbraw/zinc/63/29/91/1051632991.db2.gz FWAYMGUPNWTFCQ-PKOBYXMFSA-N 1 0 325.500 4.272 20 30 EIEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CCC2CCCCC2)cc1 ZINC001192234452 1051674343 /nfs/dbraw/zinc/67/43/43/1051674343.db2.gz QDCZEZPKXZGGHM-FQEVSTJZSA-N 1 0 339.483 4.322 20 30 EIEDRO C=CCCCCCN(C)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001182800872 1051701204 /nfs/dbraw/zinc/70/12/04/1051701204.db2.gz VPOQEAZPBHIGOA-FQEVSTJZSA-N 1 0 328.500 4.314 20 30 EIEDRO CC#CCCCCCCCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001182770396 1051706813 /nfs/dbraw/zinc/70/68/13/1051706813.db2.gz NBXZZDQLZVLEPR-UHFFFAOYSA-N 1 0 328.500 4.118 20 30 EIEDRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCc1ccc(C#N)cc1 ZINC001182855209 1051722402 /nfs/dbraw/zinc/72/24/02/1051722402.db2.gz NVBUEJJMCRJSOE-CQSZACIVSA-N 1 0 332.369 4.340 20 30 EIEDRO C#CCC1(O)CC[NH+]([C@@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC001175668967 1051723699 /nfs/dbraw/zinc/72/36/99/1051723699.db2.gz JIGLVESCOZBHRH-SFHVURJKSA-N 1 0 335.447 4.390 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001192444583 1051733611 /nfs/dbraw/zinc/73/36/11/1051733611.db2.gz XKKXIQICXGWFCC-QGZVFWFLSA-N 1 0 340.854 4.482 20 30 EIEDRO C=CCOCCC[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001182917726 1051744258 /nfs/dbraw/zinc/74/42/58/1051744258.db2.gz AMFFMMRXKRHVHF-LBPRGKRZSA-N 1 0 335.797 4.472 20 30 EIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1cc(C2CCCCC2)ccc1O ZINC001183080581 1051777290 /nfs/dbraw/zinc/77/72/90/1051777290.db2.gz UPBXOGDXHLQTDE-UHFFFAOYSA-N 1 0 328.456 4.030 20 30 EIEDRO C=C[C@@H](CC(=O)NCc1cccc(C[N@@H+](C)CC)c1)c1ccccc1 ZINC000158800714 1051789206 /nfs/dbraw/zinc/78/92/06/1051789206.db2.gz KTUZQGJLBATITI-FQEVSTJZSA-N 1 0 336.479 4.114 20 30 EIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]Cc3cncc(C#N)c3)cc2)cs1 ZINC001192663930 1051797299 /nfs/dbraw/zinc/79/72/99/1051797299.db2.gz XYJWJVABKDQSBS-ZDUSSCGKSA-N 1 0 334.448 4.236 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC001183155947 1051805591 /nfs/dbraw/zinc/80/55/91/1051805591.db2.gz JVACPVYKLSKYGB-MRXNPFEDSA-N 1 0 341.838 4.047 20 30 EIEDRO C(#Cc1ccccc1)C[NH2+]CCc1ccccc1OCc1ccccc1 ZINC001183215869 1051806251 /nfs/dbraw/zinc/80/62/51/1051806251.db2.gz DSGSZMBPJRRQBJ-UHFFFAOYSA-N 1 0 341.454 4.449 20 30 EIEDRO N#CCC[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775553205 1051830022 /nfs/dbraw/zinc/83/00/22/1051830022.db2.gz MGRCWLPJKCFNQA-ZWKOTPCHSA-N 1 0 348.368 4.373 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001192949470 1051835043 /nfs/dbraw/zinc/83/50/43/1051835043.db2.gz CMLQXZLJBRKXAQ-KRWDZBQOSA-N 1 0 337.552 4.299 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001192954131 1051836377 /nfs/dbraw/zinc/83/63/77/1051836377.db2.gz ZTPCLEKZPYCRCQ-SQNIBIBYSA-N 1 0 325.541 4.153 20 30 EIEDRO N#Cc1cc(Cl)c(Nc2ccc(C[NH3+])cc2)cc1C(F)(F)F ZINC001175973317 1051854904 /nfs/dbraw/zinc/85/49/04/1051854904.db2.gz ZVPRTGLZLCNACU-UHFFFAOYSA-N 1 0 325.721 4.433 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)c1csc(-c2csc(C)n2)c1)[C@@H]1CCCO1 ZINC000775573969 1051869634 /nfs/dbraw/zinc/86/96/34/1051869634.db2.gz MDWZURYOBSAEOD-WPGHFRTFSA-N 1 0 332.494 4.011 20 30 EIEDRO Cc1c2ccccc2sc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC001193142237 1051878887 /nfs/dbraw/zinc/87/88/87/1051878887.db2.gz TXEIUIQXBGDTRK-CQSZACIVSA-N 1 0 349.459 4.371 20 30 EIEDRO CC[C@H]1CN([C@H](C)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001193210570 1051887239 /nfs/dbraw/zinc/88/72/39/1051887239.db2.gz OIECMCVOJNRYAL-GCJKJVERSA-N 1 0 333.479 4.216 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC(c3ncc(C)s3)CC2)cc1 ZINC000763673069 1051901824 /nfs/dbraw/zinc/90/18/24/1051901824.db2.gz GOPKGPPXYCOABA-UHFFFAOYSA-N 1 0 340.492 4.233 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)Nc1ccccc1C#N ZINC000184352439 1051916550 /nfs/dbraw/zinc/91/65/50/1051916550.db2.gz NGOXPLNJNITUBR-UONOGXRCSA-N 1 0 349.459 4.451 20 30 EIEDRO C=C(C)CNC(=O)CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001183982590 1051938241 /nfs/dbraw/zinc/93/82/41/1051938241.db2.gz UIBPYJQGXFYQOW-UHFFFAOYSA-N 1 0 336.479 4.161 20 30 EIEDRO N#Cc1cnn(-c2ccccc2)c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176195614 1051940291 /nfs/dbraw/zinc/94/02/91/1051940291.db2.gz YYDVMOIKKHOJFG-UHFFFAOYSA-N 1 0 343.434 4.083 20 30 EIEDRO O=C1C=COC2(CC[NH+](Cc3cccc(C4CCCC4)c3)CC2)C1 ZINC001184056910 1051946068 /nfs/dbraw/zinc/94/60/68/1051946068.db2.gz SABFHVLCSSNXSR-UHFFFAOYSA-N 1 0 325.452 4.182 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC001176228092 1051964416 /nfs/dbraw/zinc/96/44/16/1051964416.db2.gz YSXNZMBHPGKSFF-UHFFFAOYSA-N 1 0 349.356 4.261 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC001176226427 1051964935 /nfs/dbraw/zinc/96/49/35/1051964935.db2.gz DXIXKJGHNNVZDO-UHFFFAOYSA-N 1 0 349.356 4.261 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[NH2+][C@H]2CCc3cccc4cccc2c43)c1 ZINC001176333329 1051993442 /nfs/dbraw/zinc/99/34/42/1051993442.db2.gz CXVVHWDGXJYPOG-SFTDATJTSA-N 1 0 328.415 4.022 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCCC1(C)C ZINC001193920420 1052028507 /nfs/dbraw/zinc/02/85/07/1052028507.db2.gz MYTMAIMYDMCLFV-FQEVSTJZSA-N 1 0 328.500 4.090 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000184516209 1052035862 /nfs/dbraw/zinc/03/58/62/1052035862.db2.gz WSXRLYNMAIFTHA-OAHLLOKOSA-N 1 0 349.459 4.411 20 30 EIEDRO CCCCCCCOC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cn1 ZINC001193993483 1052056333 /nfs/dbraw/zinc/05/63/33/1052056333.db2.gz DQFRODXDJNNDOP-UHFFFAOYSA-N 1 0 349.475 4.074 20 30 EIEDRO C=C(C)C[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001194052147 1052061007 /nfs/dbraw/zinc/06/10/07/1052061007.db2.gz QJCIPYJUYTYKKX-UHFFFAOYSA-N 1 0 344.499 4.322 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1CNc1nc(C)c(C#N)cc1Cl ZINC001184658950 1052076264 /nfs/dbraw/zinc/07/62/64/1052076264.db2.gz UUFMINCDDJSXQU-UHFFFAOYSA-N 1 0 342.874 4.369 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1ncc(Cl)c(C)c1C#N)c1ccsc1 ZINC001184829733 1052113203 /nfs/dbraw/zinc/11/32/03/1052113203.db2.gz DEQFIFSJVLKUKY-INIZCTEOSA-N 1 0 348.903 4.472 20 30 EIEDRO C=CCn1cc(Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)cn1 ZINC001176550950 1052128841 /nfs/dbraw/zinc/12/88/41/1052128841.db2.gz RQIJPWWAXCSCDM-OAQYLSRUSA-N 1 0 336.483 4.156 20 30 EIEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001176554735 1052131506 /nfs/dbraw/zinc/13/15/06/1052131506.db2.gz GKEXSURTJPJALT-HNNXBMFYSA-N 1 0 342.911 4.288 20 30 EIEDRO Cc1cc(NCc2ccc(C[NH+]3CCCCCC3)cc2)ncc1C#N ZINC001185055219 1052152030 /nfs/dbraw/zinc/15/20/30/1052152030.db2.gz PRWRRSIPZASGGF-UHFFFAOYSA-N 1 0 334.467 4.250 20 30 EIEDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001176665114 1052158328 /nfs/dbraw/zinc/15/83/28/1052158328.db2.gz SOPXYOQFBVMXII-SFHVURJKSA-N 1 0 341.436 4.125 20 30 EIEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001194504882 1052161952 /nfs/dbraw/zinc/16/19/52/1052161952.db2.gz GNMWLIIOHVESTC-FQEVSTJZSA-N 1 0 329.390 4.435 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@]2(C)CCCc3ccccc32)cc1 ZINC000774827589 1052164361 /nfs/dbraw/zinc/16/43/61/1052164361.db2.gz PCHMKRHHXJEHNM-VGSWGCGISA-N 1 0 334.463 4.361 20 30 EIEDRO C#C[C@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001176832766 1052196445 /nfs/dbraw/zinc/19/64/45/1052196445.db2.gz HYSKBGNRJLEAGM-HRVKUGKESA-N 1 0 346.515 4.042 20 30 EIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2cc(F)ccc2C#N)CC1 ZINC001185222052 1052198293 /nfs/dbraw/zinc/19/82/93/1052198293.db2.gz ORWWEIHBHIDNIV-UHFFFAOYSA-N 1 0 337.442 4.046 20 30 EIEDRO CCN(CC)[C@H](C[NH2+]Cc1csc(C#N)c1)c1ccccc1Cl ZINC001177117508 1052227417 /nfs/dbraw/zinc/22/74/17/1052227417.db2.gz XGKDOUHUSGLREF-GOSISDBHSA-N 1 0 347.915 4.446 20 30 EIEDRO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)ccc1C#N ZINC000774908426 1052275323 /nfs/dbraw/zinc/27/53/23/1052275323.db2.gz HWJLMKZRZMZEHI-NRFANRHFSA-N 1 0 346.430 4.196 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000072925098 1052637695 /nfs/dbraw/zinc/63/76/95/1052637695.db2.gz TWJZMPBMJFNVMI-GOSISDBHSA-N 1 0 345.446 4.125 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2cnccc2C)cc1OC ZINC000623481509 1052663347 /nfs/dbraw/zinc/66/33/47/1052663347.db2.gz IHPDDPMWGVESLB-CQSZACIVSA-N 1 0 346.858 4.468 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2CC(F)(F)C2)cc1OC ZINC000623529681 1052672263 /nfs/dbraw/zinc/67/22/63/1052672263.db2.gz VMLBDRLWVRPWFY-UHFFFAOYSA-N 1 0 331.790 4.048 20 30 EIEDRO N#Cc1cccc(COc2ccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000272913974 1052786119 /nfs/dbraw/zinc/78/61/19/1052786119.db2.gz RXZNMFAWDNMTRH-LEWJYISDSA-N 1 0 347.462 4.176 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001299258874 1052805283 /nfs/dbraw/zinc/80/52/83/1052805283.db2.gz JVFOLPYKYWWRLK-FQEVSTJZSA-N 1 0 347.462 4.208 20 30 EIEDRO C[C@@H]([NH2+]CCCOCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623860894 1052824651 /nfs/dbraw/zinc/82/46/51/1052824651.db2.gz IHTHSJHBPWTGOD-SECBINFHSA-N 1 0 347.274 4.464 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc2ccccc2c1O ZINC000185986274 1052841042 /nfs/dbraw/zinc/84/10/42/1052841042.db2.gz JUAZGNDFXURIES-HNNXBMFYSA-N 1 0 332.403 4.299 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000181087802 1052875750 /nfs/dbraw/zinc/87/57/50/1052875750.db2.gz FQWDTHRADIDRGC-GOSISDBHSA-N 1 0 343.515 4.037 20 30 EIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)c1 ZINC000182530310 1052938431 /nfs/dbraw/zinc/93/84/31/1052938431.db2.gz BBVQSQRWRPJPSP-CQSZACIVSA-N 1 0 326.827 4.001 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]CCCC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000182853210 1052952527 /nfs/dbraw/zinc/95/25/27/1052952527.db2.gz PTMQHFJKLHOACS-CQSZACIVSA-N 1 0 328.435 4.300 20 30 EIEDRO CC(=[NH+]NCCC(F)(F)F)c1ccc(N2CCCCCC2)cc1 ZINC000794553721 1053074715 /nfs/dbraw/zinc/07/47/15/1053074715.db2.gz XJGPCZHLCNHUOF-UHFFFAOYSA-N 1 0 327.394 4.333 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc3ccc(C)cc3[nH]2)c1 ZINC000850137837 1053078083 /nfs/dbraw/zinc/07/80/83/1053078083.db2.gz XGHWFHRXUWXCTE-IBGZPJMESA-N 1 0 333.435 4.447 20 30 EIEDRO CCOc1ccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)c(C)c1 ZINC000850137146 1053078352 /nfs/dbraw/zinc/07/83/52/1053078352.db2.gz KGYJLELHRBKWFV-IBGZPJMESA-N 1 0 338.451 4.365 20 30 EIEDRO C#CCCCCCC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001194715121 1053086425 /nfs/dbraw/zinc/08/64/25/1053086425.db2.gz MGDZMIVMLFALRC-UHFFFAOYSA-N 1 0 348.531 4.293 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000764470506 1053120843 /nfs/dbraw/zinc/12/08/43/1053120843.db2.gz ICUSDHCKVHGDSE-INIZCTEOSA-N 1 0 342.405 4.027 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1Cl ZINC000850372049 1053149823 /nfs/dbraw/zinc/14/98/23/1053149823.db2.gz OZIODWSBTLHBHL-ROUUACIJSA-N 1 0 329.827 4.173 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cc1 ZINC000764563643 1053197814 /nfs/dbraw/zinc/19/78/14/1053197814.db2.gz JXZTWEIDQDKLOT-MAUKXSAKSA-N 1 0 348.874 4.364 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850427264 1053205101 /nfs/dbraw/zinc/20/51/01/1053205101.db2.gz QGEZJYDNRYJRMP-XLIONFOSSA-N 1 0 346.490 4.011 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794670057 1053244948 /nfs/dbraw/zinc/24/49/48/1053244948.db2.gz YSTKWNPKYOGSHS-PKTZIBPZSA-N 1 0 342.442 4.431 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000850483578 1053256720 /nfs/dbraw/zinc/25/67/20/1053256720.db2.gz ZOJVBPWDKMKZIM-KFWWJZLASA-N 1 0 335.879 4.177 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000850527038 1053287739 /nfs/dbraw/zinc/28/77/39/1053287739.db2.gz FCGMYXHQIUAVBF-YLFWVWAESA-N 1 0 332.447 4.159 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000850542696 1053303371 /nfs/dbraw/zinc/30/33/71/1053303371.db2.gz UGNQEZZLYAKHEW-BWAGFHJFSA-N 1 0 331.463 4.332 20 30 EIEDRO C[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001195155098 1053305599 /nfs/dbraw/zinc/30/55/99/1053305599.db2.gz LXDWJHGFYCYGRR-VAMGGRTRSA-N 1 0 326.484 4.089 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000850568279 1053321990 /nfs/dbraw/zinc/32/19/90/1053321990.db2.gz UNWNQPDWOOFSRB-HXUWFJFHSA-N 1 0 340.467 4.038 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567437 1053323031 /nfs/dbraw/zinc/32/30/31/1053323031.db2.gz BZICTLBQSPQGJD-SFHVURJKSA-N 1 0 330.516 4.262 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000850581198 1053332339 /nfs/dbraw/zinc/33/23/39/1053332339.db2.gz VDROTVIMUGNQAI-CABCVRRESA-N 1 0 325.330 4.027 20 30 EIEDRO N#CCCOCC[NH2+][C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000339071358 1053382009 /nfs/dbraw/zinc/38/20/09/1053382009.db2.gz KXDIRVWUTJTEIO-VXKWHMMOSA-N 1 0 334.463 4.368 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccncc1 ZINC000794800651 1053384526 /nfs/dbraw/zinc/38/45/26/1053384526.db2.gz FLXRABBRFPYQQI-MLGOLLRUSA-N 1 0 332.245 4.207 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3cc(Br)ccc32)cc1 ZINC000794794517 1053387250 /nfs/dbraw/zinc/38/72/50/1053387250.db2.gz DUYYIWQDPBGHQG-GOSISDBHSA-N 1 0 341.252 4.488 20 30 EIEDRO C=CCn1c(-c2ccccc2C)nn(CN2C[C@@H](C)C[C@H]2C)c1=S ZINC000765025963 1053422780 /nfs/dbraw/zinc/42/27/80/1053422780.db2.gz AZUSMNQSIGVRII-GOEBONIOSA-N 1 0 342.512 4.263 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C[C@@H]3CCC[C@H](C(F)(F)F)O3)CCC2)cc1 ZINC001195557610 1053426452 /nfs/dbraw/zinc/42/64/52/1053426452.db2.gz HYRYKEXNDGOFIH-JKSUJKDBSA-N 1 0 338.373 4.027 20 30 EIEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000794834134 1053452209 /nfs/dbraw/zinc/45/22/09/1053452209.db2.gz XMNDVHLNNQEDEK-PNHOKKKMSA-N 1 0 326.415 4.250 20 30 EIEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)CSc1ccccc1 ZINC001195851444 1053494401 /nfs/dbraw/zinc/49/44/01/1053494401.db2.gz JUJDMKUDNAZHTH-OAHLLOKOSA-N 1 0 326.465 4.179 20 30 EIEDRO C=CCCC1(CNC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)CCCC1 ZINC000851641112 1053505681 /nfs/dbraw/zinc/50/56/81/1053505681.db2.gz GDJHNQYTNJZEHL-MRXNPFEDSA-N 1 0 349.906 4.076 20 30 EIEDRO C#CCOCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000851845417 1053525268 /nfs/dbraw/zinc/52/52/68/1053525268.db2.gz LOHDUCMKWNEOJR-GOSISDBHSA-N 1 0 338.451 4.252 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1cccnc1Br)c1ccccc1 ZINC000865578441 1053550014 /nfs/dbraw/zinc/55/00/14/1053550014.db2.gz DXAZJYSUVKUOBR-INIZCTEOSA-N 1 0 344.256 4.369 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2oc(C(=O)OC)cc2c1 ZINC001196057344 1053567273 /nfs/dbraw/zinc/56/72/73/1053567273.db2.gz REDBNBKVTQTOOR-NVXWUHKLSA-N 1 0 327.424 4.444 20 30 EIEDRO C=CC[C@@H](C)[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001196048367 1053571509 /nfs/dbraw/zinc/57/15/09/1053571509.db2.gz SIDUMXPISJBOKU-AEFFLSMTSA-N 1 0 336.520 4.310 20 30 EIEDRO C=CC[N@@H+](CC/C=C/c1ccc(Br)cc1)[C@@H](C)COC ZINC001196047815 1053572045 /nfs/dbraw/zinc/57/20/45/1053572045.db2.gz FLUCNTOUEMOIRO-ZKKXHLJNSA-N 1 0 338.289 4.375 20 30 EIEDRO C=C(Cl)C[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001196047968 1053572184 /nfs/dbraw/zinc/57/21/84/1053572184.db2.gz JZXZGEMHWQHIJC-INIZCTEOSA-N 1 0 342.911 4.098 20 30 EIEDRO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)Cc2ccc(CC#N)cc2)CO1 ZINC001196083950 1053577256 /nfs/dbraw/zinc/57/72/56/1053577256.db2.gz XPTQPGAFYHQJFJ-OAQYLSRUSA-N 1 0 334.463 4.322 20 30 EIEDRO C=CCC1([NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CCCC1 ZINC001196149782 1053591238 /nfs/dbraw/zinc/59/12/38/1053591238.db2.gz HNHLHBWETDZNSS-KRWDZBQOSA-N 1 0 334.529 4.430 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(N3CCC(OC)CC3)cc2)CCCC1 ZINC000852587699 1053591711 /nfs/dbraw/zinc/59/17/11/1053591711.db2.gz BTNJRRDNGRFPSY-UHFFFAOYSA-N 1 0 328.500 4.280 20 30 EIEDRO C=CCC1([NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001196149526 1053591877 /nfs/dbraw/zinc/59/18/77/1053591877.db2.gz CYJSPIQXBLNQQD-UHFFFAOYSA-N 1 0 349.540 4.236 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1[O-] ZINC000866219437 1053653991 /nfs/dbraw/zinc/65/39/91/1053653991.db2.gz NUWFXRVTEHDFOY-QGZVFWFLSA-N 1 0 349.478 4.101 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC001196442258 1053661054 /nfs/dbraw/zinc/66/10/54/1053661054.db2.gz QBMJNTFOSGRMTN-GFCCVEGCSA-N 1 0 327.255 4.220 20 30 EIEDRO c1ccc(C[NH+]2CCC(CN=Nc3nccnc3C3CCC3)CC2)cc1 ZINC000853345937 1053669998 /nfs/dbraw/zinc/66/99/98/1053669998.db2.gz NVZAWJORYGEXBS-UHFFFAOYSA-N 1 0 349.482 4.054 20 30 EIEDRO COC[C@H](C)[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC001196646620 1053716475 /nfs/dbraw/zinc/71/64/75/1053716475.db2.gz MUGAEUTZXRKTNC-BTYIYWSLSA-N 1 0 338.426 4.222 20 30 EIEDRO CC(C)C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccn1 ZINC000866448668 1053734490 /nfs/dbraw/zinc/73/44/90/1053734490.db2.gz JBBDECCBDZQKLO-OAQYLSRUSA-N 1 0 348.494 4.299 20 30 EIEDRO CCC#C[C@@H](C)[NH+]1CCC(c2nccc(-c3ccccc3OC)n2)CC1 ZINC000854096040 1053753526 /nfs/dbraw/zinc/75/35/26/1053753526.db2.gz JSGFTEVEBFHRTE-QGZVFWFLSA-N 1 0 349.478 4.134 20 30 EIEDRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC001196829973 1053772511 /nfs/dbraw/zinc/77/25/11/1053772511.db2.gz IIJFRBXHOOYAMJ-BBRMVZONSA-N 1 0 326.362 4.098 20 30 EIEDRO N#Cc1cc2ccc(N3C[C@@H](CC[NH3+])c4ccccc43)cc2cc1C#N ZINC001168547547 1053779763 /nfs/dbraw/zinc/77/97/63/1053779763.db2.gz FKNQEFKLANMCLV-MRXNPFEDSA-N 1 0 338.414 4.167 20 30 EIEDRO CCOCC[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC001196886901 1053789021 /nfs/dbraw/zinc/78/90/21/1053789021.db2.gz DCUOYUZBBCKXAW-JOCHJYFZSA-N 1 0 337.438 4.203 20 30 EIEDRO C[C@H](CCc1cncc2ccccc21)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866615075 1053807634 /nfs/dbraw/zinc/80/76/34/1053807634.db2.gz AYMPYDAIAYNTTD-OPAMFIHVSA-N 1 0 341.458 4.185 20 30 EIEDRO C=CCC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC001196952344 1053811520 /nfs/dbraw/zinc/81/15/20/1053811520.db2.gz GEYNOHXHCQFYNE-UHFFFAOYSA-N 1 0 345.443 4.100 20 30 EIEDRO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(C#N)c(F)c3)C2)cc1 ZINC000776740322 1053818134 /nfs/dbraw/zinc/81/81/34/1053818134.db2.gz KFCMEIFLJOFJSE-APWZRJJASA-N 1 0 337.442 4.325 20 30 EIEDRO N#Cc1ccc(N2CC[NH+]([C@H]3CCc4cc(Cl)ccc43)CC2)cc1 ZINC001197031994 1053827614 /nfs/dbraw/zinc/82/76/14/1053827614.db2.gz NOMNCODFRHMTBM-FQEVSTJZSA-N 1 0 337.854 4.021 20 30 EIEDRO C[C@@H]1CC(CC[NH+]2CCN(c3ccc(C#N)cc3)CC2)C[C@@H](C)C1 ZINC001197033871 1053828400 /nfs/dbraw/zinc/82/84/00/1053828400.db2.gz ZJLIQWWGUSEKGQ-ROUUACIJSA-N 1 0 325.500 4.143 20 30 EIEDRO Cc1nc(C(C)C)ccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000338962062 1053834960 /nfs/dbraw/zinc/83/49/60/1053834960.db2.gz BQRMTSNTFDVORO-UHFFFAOYSA-N 1 0 349.478 4.429 20 30 EIEDRO C[N@H+](CCSc1ccc(F)cc1F)CCc1cccc(C#N)c1 ZINC001197114723 1053840195 /nfs/dbraw/zinc/84/01/95/1053840195.db2.gz HYWNJUVDHOQYAL-UHFFFAOYSA-N 1 0 332.419 4.103 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC001197177085 1053848558 /nfs/dbraw/zinc/84/85/58/1053848558.db2.gz KNSCKLHQLLCVFW-ZRBLBEILSA-N 1 0 346.474 4.351 20 30 EIEDRO C[N@H+](Cc1ccccc1)C1CCC(N=Nc2ncccc2F)CC1 ZINC000794990757 1053870755 /nfs/dbraw/zinc/87/07/55/1053870755.db2.gz POTAIKIJRBKLIU-UHFFFAOYSA-N 1 0 326.419 4.063 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2sccc2C)ccc1OC ZINC000113347650 1053923425 /nfs/dbraw/zinc/92/34/25/1053923425.db2.gz WCPHXBKDVBWVQC-OAHLLOKOSA-N 1 0 330.453 4.036 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)cc(C)c2)ccc1OC ZINC000113347503 1053924353 /nfs/dbraw/zinc/92/43/53/1053924353.db2.gz MUVZGJMDIOVHOP-LJQANCHMSA-N 1 0 338.451 4.283 20 30 EIEDRO C#CC[C@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC001197700975 1053975423 /nfs/dbraw/zinc/97/54/23/1053975423.db2.gz BMWITVSFPKOZNP-HNNXBMFYSA-N 1 0 325.374 4.210 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cc(F)cc(Br)c1 ZINC000339091778 1054008552 /nfs/dbraw/zinc/00/85/52/1054008552.db2.gz TVBWAFLSOWQTKL-LKTVYLICSA-N 1 0 325.225 4.321 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCOCCC#N)c1ccc(C(F)(F)F)cc1 ZINC001168563862 1054026593 /nfs/dbraw/zinc/02/65/93/1054026593.db2.gz NXFDTZLYZLHVLD-MRXNPFEDSA-N 1 0 326.362 4.233 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000113952591 1054027267 /nfs/dbraw/zinc/02/72/67/1054027267.db2.gz GBKMPUOECARZIJ-BBRMVZONSA-N 1 0 330.378 4.497 20 30 EIEDRO C#CCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)(C)C ZINC001197938345 1054031656 /nfs/dbraw/zinc/03/16/56/1054031656.db2.gz ZORVUJGUFFKILW-UHFFFAOYSA-N 1 0 346.780 4.031 20 30 EIEDRO C[N@H+](Cc1ccccc1CNC(=O)CC(C)(C)C#N)C1CCCCC1 ZINC000278868552 1054039173 /nfs/dbraw/zinc/03/91/73/1054039173.db2.gz VBVAFPOWHLLECK-UHFFFAOYSA-N 1 0 341.499 4.007 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC001626045424 1054040557 /nfs/dbraw/zinc/04/05/57/1054040557.db2.gz JQWBBFIKBPZZDU-LJQANCHMSA-N 1 0 326.484 4.028 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC001626045423 1054040864 /nfs/dbraw/zinc/04/08/64/1054040864.db2.gz JQWBBFIKBPZZDU-IBGZPJMESA-N 1 0 326.484 4.028 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC001197992046 1054052230 /nfs/dbraw/zinc/05/22/30/1054052230.db2.gz VUSMQGRQUGGRQD-HXUWFJFHSA-N 1 0 328.415 4.497 20 30 EIEDRO N#CCCOCC[N@H+]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000339098123 1054061033 /nfs/dbraw/zinc/06/10/33/1054061033.db2.gz ZFISLDPAXHVDJQ-MRXNPFEDSA-N 1 0 326.362 4.163 20 30 EIEDRO C#CCC1([NH2+]Cc2csc(COc3ccc(C)cc3)n2)CCC1 ZINC001198033595 1054062923 /nfs/dbraw/zinc/06/29/23/1054062923.db2.gz KAHOWVPQGMNMJD-UHFFFAOYSA-N 1 0 326.465 4.066 20 30 EIEDRO C=C(C)C[NH+]1CCC(CNC(=O)OC(C)(C)C)(c2ccccc2)CC1 ZINC001198261521 1054101564 /nfs/dbraw/zinc/10/15/64/1054101564.db2.gz ZVLRZEBSNRFRTB-UHFFFAOYSA-N 1 0 344.499 4.121 20 30 EIEDRO C=CCCC[N@@H+](CC)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001198458596 1054149357 /nfs/dbraw/zinc/14/93/57/1054149357.db2.gz WCGJADCEWLWWIK-UHFFFAOYSA-N 1 0 328.378 4.322 20 30 EIEDRO CC(C)c1csc(CNC(=[NH2+])Nc2cccc3c2CCCC3)n1 ZINC000123691059 1054223657 /nfs/dbraw/zinc/22/36/57/1054223657.db2.gz ALBABTQGBQMYCY-UHFFFAOYSA-N 1 0 328.485 4.072 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNCc1ccnc(Cl)c1Cl)C(C)C ZINC001199197089 1054362369 /nfs/dbraw/zinc/36/23/69/1054362369.db2.gz FJVZRYOKWCJXMN-HNNXBMFYSA-N 1 0 342.314 4.177 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872259612 1054428090 /nfs/dbraw/zinc/42/80/90/1054428090.db2.gz DSGGWNWXILJTHU-HXUWFJFHSA-N 1 0 326.484 4.411 20 30 EIEDRO C[NH+](C)C1(C)CCC(N=Nc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000872348768 1054440158 /nfs/dbraw/zinc/44/01/58/1054440158.db2.gz RGKIVVGPHREBNF-UHFFFAOYSA-N 1 0 343.393 4.290 20 30 EIEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137059092 1054440816 /nfs/dbraw/zinc/44/08/16/1054440816.db2.gz MECZYXGSNASAHQ-QGZVFWFLSA-N 1 0 349.409 4.222 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2cc(C)ccc2O)cc1OC ZINC000858240000 1054444890 /nfs/dbraw/zinc/44/48/90/1054444890.db2.gz YOTKEXJRZQCLJW-UHFFFAOYSA-N 1 0 347.842 4.217 20 30 EIEDRO COc1cccc(/C=N/C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1O ZINC000115961520 1054447450 /nfs/dbraw/zinc/44/74/50/1054447450.db2.gz JKYYPODIWUTBIQ-QFNCUCFLSA-N 1 0 338.451 4.045 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CC2(C(F)(F)F)CCCC2)cc1 ZINC000858307854 1054458726 /nfs/dbraw/zinc/45/87/26/1054458726.db2.gz OOQIBEMHAXNMEE-UHFFFAOYSA-N 1 0 339.405 4.249 20 30 EIEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000858334078 1054466719 /nfs/dbraw/zinc/46/67/19/1054466719.db2.gz RISBWBNAGDOWGO-AWEZNQCLSA-N 1 0 340.448 4.074 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(C#N)cc1 ZINC000552881379 1054482876 /nfs/dbraw/zinc/48/28/76/1054482876.db2.gz VAFXEWRBLKCDSP-ZIAGYGMSSA-N 1 0 333.435 4.200 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000858425318 1054487083 /nfs/dbraw/zinc/48/70/83/1054487083.db2.gz FUYPQXNBRGESIQ-SJORKVTESA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000124429540 1054501574 /nfs/dbraw/zinc/50/15/74/1054501574.db2.gz NNWBJPIGDRTBHS-CQSZACIVSA-N 1 0 326.827 4.410 20 30 EIEDRO CC1([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC(F)(F)C1 ZINC000873198040 1054506823 /nfs/dbraw/zinc/50/68/23/1054506823.db2.gz NPFPRTJRXKQWAM-UHFFFAOYSA-N 1 0 342.389 4.415 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(SC)cc2)cc(OC)c1OC ZINC000105478333 1054525622 /nfs/dbraw/zinc/52/56/22/1054525622.db2.gz OGCBKFIIYUKEIQ-UHFFFAOYSA-N 1 0 343.492 4.444 20 30 EIEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)c(C)c2)cc1Cl ZINC001202537201 1054530678 /nfs/dbraw/zinc/53/06/78/1054530678.db2.gz PLNMFNFYDVAZMA-OAHLLOKOSA-N 1 0 347.817 4.054 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282209456 1054612356 /nfs/dbraw/zinc/61/23/56/1054612356.db2.gz XULJOFJNIHRQOX-APWZRJJASA-N 1 0 334.467 4.032 20 30 EIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000125003039 1054660143 /nfs/dbraw/zinc/66/01/43/1054660143.db2.gz FZEDXBRZNJKLLX-SECBINFHSA-N 1 0 349.066 4.017 20 30 EIEDRO CCC(CC)[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCC1 ZINC000776153945 1054746861 /nfs/dbraw/zinc/74/68/61/1054746861.db2.gz KZEQQKJCPLFHPM-UWJYYQICSA-N 1 0 343.515 4.140 20 30 EIEDRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000282237712 1054753439 /nfs/dbraw/zinc/75/34/39/1054753439.db2.gz IWELCKMYZDBNTN-KLAILNCOSA-N 1 0 342.487 4.197 20 30 EIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Br)cs1 ZINC000282236231 1054753552 /nfs/dbraw/zinc/75/35/52/1054753552.db2.gz IUVIINBECKHKRC-UNXYVOJBSA-N 1 0 327.291 4.491 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000776162143 1054771876 /nfs/dbraw/zinc/77/18/76/1054771876.db2.gz BZMSJZOFGILRGD-FOIQADDNSA-N 1 0 338.476 4.270 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2cc(Br)cc(F)c2C#N)c1 ZINC001201403354 1054777446 /nfs/dbraw/zinc/77/74/46/1054777446.db2.gz OHEZUFAEHNWSEJ-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000776161085 1054785376 /nfs/dbraw/zinc/78/53/76/1054785376.db2.gz STYGWHPVOWSZNY-KUHUBIRLSA-N 1 0 340.398 4.293 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(OCC#N)cc1 ZINC000776165228 1054793432 /nfs/dbraw/zinc/79/34/32/1054793432.db2.gz OPPYPOVFZMKHBC-CYBMUJFWSA-N 1 0 332.806 4.275 20 30 EIEDRO C=CCOCc1ncn2c1C[N@H+](C[C@@H](C)CCC=C(C)C)CCC2 ZINC001201486026 1054815601 /nfs/dbraw/zinc/81/56/01/1054815601.db2.gz LQSDPXHSJMEWRF-SFHVURJKSA-N 1 0 331.504 4.174 20 30 EIEDRO CCCCCCC[N@H+]1Cc2c(cnn2CC)[C@H](COCC2CC2)C1 ZINC001201762392 1054900327 /nfs/dbraw/zinc/90/03/27/1054900327.db2.gz IWWRMZHYERXGCP-SFHVURJKSA-N 1 0 333.520 4.199 20 30 EIEDRO CCCCCCC[NH+]1CCC(NC(=O)Nc2ccc(OC)cc2)CC1 ZINC001201797899 1054908970 /nfs/dbraw/zinc/90/89/70/1054908970.db2.gz FXNUWBQDIAVFLP-UHFFFAOYSA-N 1 0 347.503 4.252 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201814226 1054911395 /nfs/dbraw/zinc/91/13/95/1054911395.db2.gz MYWAZDXFHYDFJK-MSOLQXFVSA-N 1 0 335.561 4.400 20 30 EIEDRO CCCCCCCC[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC001201804530 1054912001 /nfs/dbraw/zinc/91/20/01/1054912001.db2.gz NYTHOBZMCATBPH-PWRODBHTSA-N 1 0 346.515 4.191 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001201840227 1054934454 /nfs/dbraw/zinc/93/44/54/1054934454.db2.gz XDTAKQVEDBLQSF-NRFANRHFSA-N 1 0 343.515 4.261 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OCCC)c(OCC)c2)CC1 ZINC000106246356 1054938678 /nfs/dbraw/zinc/93/86/78/1054938678.db2.gz ZHXQEKFNYGOACJ-UHFFFAOYSA-N 1 0 346.515 4.004 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC000876630326 1054940146 /nfs/dbraw/zinc/94/01/46/1054940146.db2.gz XFIHGSLMSQHAHC-GXTWGEPZSA-N 1 0 326.893 4.294 20 30 EIEDRO CCCCCCCCCC[NH+]1CCN(CCc2ccccn2)CC1 ZINC001201875287 1054940500 /nfs/dbraw/zinc/94/05/00/1054940500.db2.gz UAXULKDVVNZFJO-UHFFFAOYSA-N 1 0 331.548 4.382 20 30 EIEDRO CCC[N@H+](C[C@@H](C)CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876623128 1054940949 /nfs/dbraw/zinc/94/09/49/1054940949.db2.gz VRULHBXKAQHNPN-INIZCTEOSA-N 1 0 337.508 4.038 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000876673335 1054944913 /nfs/dbraw/zinc/94/49/13/1054944913.db2.gz WBSGBZOBCOAORC-RISCZKNCSA-N 1 0 348.796 4.085 20 30 EIEDRO C=CCN1CC[C@]2(CCC[N@@H+](CC[C@H](C)CCC=C(C)C)C2)C1=O ZINC001201977661 1054955235 /nfs/dbraw/zinc/95/52/35/1054955235.db2.gz VRWDTBLMPTYFIB-CTNGQTDRSA-N 1 0 332.532 4.260 20 30 EIEDRO CC[N@@H+](c1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1)C(C)C ZINC000876820884 1054964586 /nfs/dbraw/zinc/96/45/86/1054964586.db2.gz UYLMDKIRAIHNEA-QGZVFWFLSA-N 1 0 329.488 4.432 20 30 EIEDRO CC(C)[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Nc1ccccc1 ZINC000118449328 1054979313 /nfs/dbraw/zinc/97/93/13/1054979313.db2.gz KIUBDTOBNYHWEB-LAUBAEHRSA-N 1 0 337.467 4.204 20 30 EIEDRO C#CCCCCCC[NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000877033120 1055003110 /nfs/dbraw/zinc/00/31/10/1055003110.db2.gz XAZOPFULAVBFNF-KRWDZBQOSA-N 1 0 346.490 4.021 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000877107351 1055019973 /nfs/dbraw/zinc/01/99/73/1055019973.db2.gz DAWBGUDBJTWLDG-HZPDHXFCSA-N 1 0 345.487 4.302 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)[C@H]1CCCO1 ZINC001202073481 1055036423 /nfs/dbraw/zinc/03/64/23/1055036423.db2.gz BPCHDSQINYQSDP-WOJBJXKFSA-N 1 0 343.373 4.028 20 30 EIEDRO N#CCOc1ccc(C[N@H+](Cc2ccccn2)C2CCCCC2)cc1 ZINC001137120273 1055059196 /nfs/dbraw/zinc/05/91/96/1055059196.db2.gz AAOSCUBEJADRAE-UHFFFAOYSA-N 1 0 335.451 4.319 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380361 1055060668 /nfs/dbraw/zinc/06/06/68/1055060668.db2.gz UYNWFQMTLQWPRI-AXFHLTTASA-N 1 0 331.769 4.487 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)c1ccccc1 ZINC000776253120 1055061206 /nfs/dbraw/zinc/06/12/06/1055061206.db2.gz SDAZXLIRKXEDDM-KRWDZBQOSA-N 1 0 344.252 4.317 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)cc1 ZINC001137120619 1055061488 /nfs/dbraw/zinc/06/14/88/1055061488.db2.gz XACJPBKXIHFXAJ-MRXNPFEDSA-N 1 0 326.827 4.232 20 30 EIEDRO C#CCCCCCC[NH2+]C1(c2cccc(OC)c2F)CCOCC1 ZINC000877483019 1055061878 /nfs/dbraw/zinc/06/18/78/1055061878.db2.gz IPDSBBGDCFPREV-UHFFFAOYSA-N 1 0 333.447 4.013 20 30 EIEDRO C[N@H+](Cc1cc(C#N)cnc1Cl)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000877535811 1055074005 /nfs/dbraw/zinc/07/40/05/1055074005.db2.gz FOGJEQVJYGGOAK-BETUJISGSA-N 1 0 331.769 4.160 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)c(I)cc1C ZINC001202184730 1055074139 /nfs/dbraw/zinc/07/41/39/1055074139.db2.gz VXHQKLPZRANEDB-CQSZACIVSA-N 1 0 343.252 4.352 20 30 EIEDRO CCOP(=O)(CCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1)OCC ZINC000877599415 1055088517 /nfs/dbraw/zinc/08/85/17/1055088517.db2.gz ZCDTXBGXAFXMPS-HNNXBMFYSA-N 1 0 338.388 4.207 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000126673506 1055109302 /nfs/dbraw/zinc/10/93/02/1055109302.db2.gz WEPKBXVYKMYEPD-GOTSBHOMSA-N 1 0 342.442 4.165 20 30 EIEDRO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000877813907 1055125850 /nfs/dbraw/zinc/12/58/50/1055125850.db2.gz LRGPHPNPWOXHKE-MRXNPFEDSA-N 1 0 325.481 4.242 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000877916283 1055153977 /nfs/dbraw/zinc/15/39/77/1055153977.db2.gz CTBFHJNJZTZGKG-QHCPKHFHSA-N 1 0 346.474 4.307 20 30 EIEDRO CC[C@H](C)[C@@H](C)[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056077 1055180768 /nfs/dbraw/zinc/18/07/68/1055180768.db2.gz ADTAOKHHOKWASR-CSODHUTKSA-N 1 0 326.484 4.326 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@]2(CC=CCC2)C1)c1ccccc1 ZINC000878106011 1055190491 /nfs/dbraw/zinc/19/04/91/1055190491.db2.gz JUCPCFWDSAOUFF-YADHBBJMSA-N 1 0 336.479 4.249 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(F)c2F)c1 ZINC000776309352 1055191944 /nfs/dbraw/zinc/19/19/44/1055191944.db2.gz CWXHJIJAEDTJLL-UKRRQHHQSA-N 1 0 330.378 4.497 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1cc(C)cc(C)c1)c1ccccc1 ZINC000878514407 1055330259 /nfs/dbraw/zinc/33/02/59/1055330259.db2.gz SKQBBMAKPKTCJP-JOCHJYFZSA-N 1 0 334.463 4.176 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H](C)C1CCCCC1)c1ccccc1 ZINC000878565410 1055344788 /nfs/dbraw/zinc/34/47/88/1055344788.db2.gz JXQKRUDDHBQGMN-DYESRHJHSA-N 1 0 326.484 4.328 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H](C)C1CCCCC1)c1ccccc1 ZINC000878565411 1055345307 /nfs/dbraw/zinc/34/53/07/1055345307.db2.gz JXQKRUDDHBQGMN-UTKZUKDTSA-N 1 0 326.484 4.328 20 30 EIEDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1ncc(C#N)cc1Cl)[NH+](C)C ZINC000553318983 1055406523 /nfs/dbraw/zinc/40/65/23/1055406523.db2.gz LSKNMXXQUFUZCK-CXAGYDPISA-N 1 0 328.847 4.018 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000282287008 1055753049 /nfs/dbraw/zinc/75/30/49/1055753049.db2.gz LKMMEPIEILQGLG-JEYLPNPQSA-N 1 0 340.496 4.494 20 30 EIEDRO C=CC[N@@H+](Cc1cc(Br)c(OC)c(OCC)c1)C1CC1 ZINC000542690548 1055830513 /nfs/dbraw/zinc/83/05/13/1055830513.db2.gz DTADJFYKQJYEEG-UHFFFAOYSA-N 1 0 340.261 4.007 20 30 EIEDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000123067758 1055837971 /nfs/dbraw/zinc/83/79/71/1055837971.db2.gz GVCGNYFXPPXUNK-UTKZUKDTSA-N 1 0 333.479 4.140 20 30 EIEDRO CCN(Cc1nc(C)c2ccccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000107896450 1055890774 /nfs/dbraw/zinc/89/07/74/1055890774.db2.gz VMEYDRSEPKAKLT-MRXNPFEDSA-N 1 0 330.435 4.393 20 30 EIEDRO N#Cc1ccc(NCC2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000301137673 1055898871 /nfs/dbraw/zinc/89/88/71/1055898871.db2.gz CYUDHYHVNGYFKQ-UHFFFAOYSA-N 1 0 329.444 4.083 20 30 EIEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273523447 1055908334 /nfs/dbraw/zinc/90/83/34/1055908334.db2.gz QHEDUJYJDMNICN-AZUAARDMSA-N 1 0 342.389 4.189 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000301319098 1055919867 /nfs/dbraw/zinc/91/98/67/1055919867.db2.gz QMVMCEMWINDJAX-GFCCVEGCSA-N 1 0 346.887 4.306 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c2c1 ZINC000301428975 1055935810 /nfs/dbraw/zinc/93/58/10/1055935810.db2.gz NHJAYQGOFUPKHE-MOPGFXCFSA-N 1 0 348.494 4.175 20 30 EIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301444489 1055936988 /nfs/dbraw/zinc/93/69/88/1055936988.db2.gz YUNGKAVXZUESOP-UHFFFAOYSA-N 1 0 337.442 4.046 20 30 EIEDRO C[N@@H+]1CCC[C@H](CNc2c(F)cc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000301458072 1055938476 /nfs/dbraw/zinc/93/84/76/1055938476.db2.gz ZJASOYUUJGCICA-FZKQIMNGSA-N 1 0 347.434 4.393 20 30 EIEDRO N#Cc1cc(NC[C@H](c2cccs2)[NH+]2CCCC2)c2ccccc2n1 ZINC000301545126 1055948632 /nfs/dbraw/zinc/94/86/32/1055948632.db2.gz TVONNLJBQDFBFT-LJQANCHMSA-N 1 0 348.475 4.417 20 30 EIEDRO N#Cc1ccc2nc(NC[C@@H](c3ccco3)[NH+]3CCCCC3)ccc2c1 ZINC000301826423 1055989391 /nfs/dbraw/zinc/98/93/91/1055989391.db2.gz OXXFHIZRXHGRRN-IBGZPJMESA-N 1 0 346.434 4.339 20 30 EIEDRO N#Cc1ccc2nc(N[C@H](C[NH+]3CCCC3)c3ccccc3)ccc2c1 ZINC000301837581 1055990472 /nfs/dbraw/zinc/99/04/72/1055990472.db2.gz YHVDGQFVRGUBLW-OAQYLSRUSA-N 1 0 342.446 4.355 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474704352 1055993211 /nfs/dbraw/zinc/99/32/11/1055993211.db2.gz AEWUPWSGYFMIBL-FHERZECASA-N 1 0 332.454 4.374 20 30 EIEDRO N#Cc1ccc2nc(NC3CC[NH+](CC4CCCC4)CC3)ccc2c1 ZINC000301992501 1056007313 /nfs/dbraw/zinc/00/73/13/1056007313.db2.gz YZDVVHJFPQZQMD-UHFFFAOYSA-N 1 0 334.467 4.173 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000302085579 1056014359 /nfs/dbraw/zinc/01/43/59/1056014359.db2.gz DVUHPMWHLFOFBG-OXQOHEQNSA-N 1 0 347.462 4.226 20 30 EIEDRO CC(=O)c1ccc(C#N)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000302099610 1056017373 /nfs/dbraw/zinc/01/73/73/1056017373.db2.gz KTEIFSMHURERNL-IERDGZPVSA-N 1 0 347.462 4.083 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000302123716 1056021132 /nfs/dbraw/zinc/02/11/32/1056021132.db2.gz VKHXNLDPHHWNIH-JOCHJYFZSA-N 1 0 347.462 4.318 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000302135764 1056023064 /nfs/dbraw/zinc/02/30/64/1056023064.db2.gz ZYYSKDHKJXYLRW-HRAATJIYSA-N 1 0 347.462 4.083 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2OC)cc1 ZINC000765868043 1056032759 /nfs/dbraw/zinc/03/27/59/1056032759.db2.gz ODYYZPRNCORKIL-AWEZNQCLSA-N 1 0 329.827 4.211 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cnn(C)c1 ZINC000091412087 1056103526 /nfs/dbraw/zinc/10/35/26/1056103526.db2.gz HUKXSPVKSJUUMG-NRFANRHFSA-N 1 0 330.435 4.200 20 30 EIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000542826891 1056149207 /nfs/dbraw/zinc/14/92/07/1056149207.db2.gz BDHNLZQSJHQCAM-NSHDSACASA-N 1 0 330.291 4.028 20 30 EIEDRO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000554848900 1056381429 /nfs/dbraw/zinc/38/14/29/1056381429.db2.gz RYGTVIGVUXCNRG-UONOGXRCSA-N 1 0 341.842 4.198 20 30 EIEDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469674 1056456642 /nfs/dbraw/zinc/45/66/42/1056456642.db2.gz WOKXKJKHSIFYSF-CQSZACIVSA-N 1 0 339.395 4.058 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C#N ZINC000072707067 1056460739 /nfs/dbraw/zinc/46/07/39/1056460739.db2.gz BTUDMRHTBBLHBL-JKSUJKDBSA-N 1 0 347.462 4.115 20 30 EIEDRO COc1cc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)ccc1C#N ZINC000619652566 1056510606 /nfs/dbraw/zinc/51/06/06/1056510606.db2.gz WINQKOZYPFCRMN-UHFFFAOYSA-N 1 0 339.826 4.034 20 30 EIEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCC[C@H]1O ZINC001168677524 1056673497 /nfs/dbraw/zinc/67/34/97/1056673497.db2.gz OTAFPBHHVOJECI-IFMALSPDSA-N 1 0 334.463 4.208 20 30 EIEDRO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCCCC1 ZINC000075645358 1056804896 /nfs/dbraw/zinc/80/48/96/1056804896.db2.gz PFDZZOFYKKRFKN-UHFFFAOYSA-N 1 0 338.455 4.401 20 30 EIEDRO CCO[C@@H]1C[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2O)C12CCC2 ZINC000741465634 1058222962 /nfs/dbraw/zinc/22/29/62/1058222962.db2.gz WOVATQJIPZISAL-JKMYOGEHSA-N 1 0 330.472 4.005 20 30 EIEDRO CCOc1ccc(Cl)c(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001212574480 1058340540 /nfs/dbraw/zinc/34/05/40/1058340540.db2.gz IBLSDTOMOOQVFB-UHFFFAOYSA-N 1 0 347.871 4.403 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)cc1C#N ZINC000742367500 1058576967 /nfs/dbraw/zinc/57/69/67/1058576967.db2.gz ADUALUWAWJTAGC-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO C#CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 ZINC000742382596 1058583070 /nfs/dbraw/zinc/58/30/70/1058583070.db2.gz FNQSBOGWFHTYBM-UHFFFAOYSA-N 1 0 343.474 4.410 20 30 EIEDRO C#CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000742382782 1058584048 /nfs/dbraw/zinc/58/40/48/1058584048.db2.gz JRVYPZGWGOBBGQ-UHFFFAOYSA-N 1 0 329.447 4.101 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2Cl)cc1 ZINC000742379232 1058604074 /nfs/dbraw/zinc/60/40/74/1058604074.db2.gz OJCNLTXYTWDXAL-MRXNPFEDSA-N 1 0 343.854 4.299 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000742378783 1058605086 /nfs/dbraw/zinc/60/50/86/1058605086.db2.gz AZXKLFYFUKCBAB-UHFFFAOYSA-N 1 0 338.838 4.166 20 30 EIEDRO C=CC[N@H+](Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1)C(C)C ZINC000742539988 1058664344 /nfs/dbraw/zinc/66/43/44/1058664344.db2.gz WYKINXKRFONHKG-UHFFFAOYSA-N 1 0 339.270 4.414 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(-c3cccnc3)cc2)cc1 ZINC000742710032 1058719265 /nfs/dbraw/zinc/71/92/65/1058719265.db2.gz AWDZLFFFMABEPI-UHFFFAOYSA-N 1 0 342.442 4.441 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)[C@H](O)c2c(F)cccc2F)cc1 ZINC000742711849 1058721998 /nfs/dbraw/zinc/72/19/98/1058721998.db2.gz BHAAIQDXCNUATN-QUCCMNQESA-N 1 0 347.405 4.131 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000743473025 1059020840 /nfs/dbraw/zinc/02/08/40/1059020840.db2.gz JIXINXQLTORYSO-OALUTQOASA-N 1 0 349.478 4.289 20 30 EIEDRO CC(=NNc1cccc2ncccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000743531055 1059039312 /nfs/dbraw/zinc/03/93/12/1059039312.db2.gz BYRIHULKNSCSAV-UHFFFAOYSA-N 1 0 348.450 4.011 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1c(O)ccc2ccncc21 ZINC000746056014 1059999986 /nfs/dbraw/zinc/99/99/86/1059999986.db2.gz OXWPSQNIBAGJSC-UHFFFAOYSA-N 1 0 345.446 4.470 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CC)C[C@H](C)CO)cc1 ZINC000766361346 1060313069 /nfs/dbraw/zinc/31/30/69/1060313069.db2.gz UHUIPWDAMDRAFK-QRTARXTBSA-N 1 0 325.880 4.266 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000766535114 1060508643 /nfs/dbraw/zinc/50/86/43/1060508643.db2.gz MDMXGBUAQUEXKJ-XJKSGUPXSA-N 1 0 343.945 4.317 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000766535112 1060510080 /nfs/dbraw/zinc/51/00/80/1060510080.db2.gz MDMXGBUAQUEXKJ-CZUORRHYSA-N 1 0 343.945 4.317 20 30 EIEDRO CC(C)c1ccc(CC2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)cc1 ZINC001168958398 1060554335 /nfs/dbraw/zinc/55/43/35/1060554335.db2.gz SWBCDNGRVDLMPU-NRFANRHFSA-N 1 0 340.511 4.119 20 30 EIEDRO CC1(C)C[C@@H](Nc2c(F)c(F)c(C#N)c(F)c2F)C[C@](C)(C[NH3+])C1 ZINC001169151925 1060669933 /nfs/dbraw/zinc/66/99/33/1060669933.db2.gz NMLRXJQMSGBBKT-XLFHBGCDSA-N 1 0 343.368 4.070 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2ccc(F)cc2)cc1OC ZINC000103173427 1060775075 /nfs/dbraw/zinc/77/50/75/1060775075.db2.gz QOFBXPLAUXCJBY-UHFFFAOYSA-N 1 0 329.415 4.424 20 30 EIEDRO CC[NH+](CC)Cc1cncc(N[C@@](C)(C#N)c2ccccc2Cl)c1 ZINC001169388606 1060804069 /nfs/dbraw/zinc/80/40/69/1060804069.db2.gz JMOGMEYZFZOPMN-IBGZPJMESA-N 1 0 342.874 4.428 20 30 EIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(Nc2cccn(CC3CC3)c2=O)cc1 ZINC001169454360 1060821869 /nfs/dbraw/zinc/82/18/69/1060821869.db2.gz HHHIYXGNAFFLID-OAQYLSRUSA-N 1 0 349.478 4.325 20 30 EIEDRO CC[C@@H](C[N@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC001169483872 1060828285 /nfs/dbraw/zinc/82/82/85/1060828285.db2.gz XVUVCCOLWVSMOA-KRWDZBQOSA-N 1 0 337.423 4.482 20 30 EIEDRO C#CCCC[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000766727918 1060841612 /nfs/dbraw/zinc/84/16/12/1060841612.db2.gz JIOXTKYYEQCCNB-HXUWFJFHSA-N 1 0 341.838 4.204 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001169731652 1060933634 /nfs/dbraw/zinc/93/36/34/1060933634.db2.gz DQTQTMUILJVCQG-GOSISDBHSA-N 1 0 336.520 4.197 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169776531 1060941307 /nfs/dbraw/zinc/94/13/07/1060941307.db2.gz ZBDCUOILBNZICB-QFIPXVFZSA-N 1 0 348.490 4.370 20 30 EIEDRO C=CC[C@H]1[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)CCCC1(C)C ZINC001169844008 1060994981 /nfs/dbraw/zinc/99/49/81/1060994981.db2.gz JAYPDEJVOGERET-QGZVFWFLSA-N 1 0 336.520 4.310 20 30 EIEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc1 ZINC001169855133 1061001177 /nfs/dbraw/zinc/00/11/77/1061001177.db2.gz XHMTXXHOLJSOBH-MAUKXSAKSA-N 1 0 335.407 4.153 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001169900516 1061025296 /nfs/dbraw/zinc/02/52/96/1061025296.db2.gz MXLZVVKVXXNOEO-UZLBHIALSA-N 1 0 339.870 4.283 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1nc(Cl)c(C#N)s1)Cc1ccccc1 ZINC000804346717 1061100424 /nfs/dbraw/zinc/10/04/24/1061100424.db2.gz YTUVWNUPZZCKIL-AWEZNQCLSA-N 1 0 348.903 4.033 20 30 EIEDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000137087413 1032071042 /nfs/dbraw/zinc/07/10/42/1032071042.db2.gz LQGLCVMOKMJEHC-HNAYVOBHSA-N 1 0 340.423 4.054 20 30 EIEDRO COc1cc(C#N)c(Nc2ccc(C[NH2+]C(C)(C)C)cc2)cc1OC ZINC001204690624 1032099305 /nfs/dbraw/zinc/09/93/05/1032099305.db2.gz FMKBQAAKWYVTTE-UHFFFAOYSA-N 1 0 339.439 4.207 20 30 EIEDRO C=C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237609230 1032101256 /nfs/dbraw/zinc/10/12/56/1032101256.db2.gz WIHOIRJMLSNLAB-HNNXBMFYSA-N 1 0 348.406 4.112 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)cc1 ZINC000729685278 1032166843 /nfs/dbraw/zinc/16/68/43/1032166843.db2.gz CPEXSVVVRHPWOS-UHFFFAOYSA-N 1 0 344.414 4.251 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)cc1OCCCC#N ZINC000237151604 1032223192 /nfs/dbraw/zinc/22/31/92/1032223192.db2.gz YLGPBTYDAKHQEL-SOLBZPMBSA-N 1 0 330.472 4.292 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000237506328 1032229179 /nfs/dbraw/zinc/22/91/79/1032229179.db2.gz GAVDQDLSWVCENN-UGSOOPFHSA-N 1 0 342.826 4.244 20 30 EIEDRO CCC[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000282037422 1032231828 /nfs/dbraw/zinc/23/18/28/1032231828.db2.gz QPPXUSGPFGQGOX-SFHVURJKSA-N 1 0 336.426 4.496 20 30 EIEDRO C=CCSCC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000237721932 1032235660 /nfs/dbraw/zinc/23/56/60/1032235660.db2.gz MYIUCZPIZWMKCQ-UHFFFAOYSA-N 1 0 335.904 4.151 20 30 EIEDRO C=C(C)CCc1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000508621709 1032270148 /nfs/dbraw/zinc/27/01/48/1032270148.db2.gz VHTUVDTWGILLBW-MRXNPFEDSA-N 1 0 329.419 4.097 20 30 EIEDRO C=C(C)C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000532732445 1032281700 /nfs/dbraw/zinc/28/17/00/1032281700.db2.gz AVCKJVPDKDNHID-UHFFFAOYSA-N 1 0 327.255 4.220 20 30 EIEDRO C=CC(C)(C)C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000450217687 1032356717 /nfs/dbraw/zinc/35/67/17/1032356717.db2.gz SDKMIPKMQTZHDN-UHFFFAOYSA-N 1 0 328.500 4.007 20 30 EIEDRO CC(C)CN(Cc1nnc(C(C)C)s1)Cc1ccc(C#N)cc1 ZINC000450312592 1032412866 /nfs/dbraw/zinc/41/28/66/1032412866.db2.gz MOBMFZVQLSCNDB-UHFFFAOYSA-N 1 0 328.485 4.191 20 30 EIEDRO C=CCC1(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000450479928 1032523287 /nfs/dbraw/zinc/52/32/87/1032523287.db2.gz RTVJCQDKLXSACN-UYAOXDASSA-N 1 0 340.511 4.150 20 30 EIEDRO C=CCC1(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000450479926 1032523937 /nfs/dbraw/zinc/52/39/37/1032523937.db2.gz RTVJCQDKLXSACN-ICSRJNTNSA-N 1 0 340.511 4.150 20 30 EIEDRO C=CCC1(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CCCCC1 ZINC000450514295 1032538964 /nfs/dbraw/zinc/53/89/64/1032538964.db2.gz CUVWGHHKRXKSNE-ROUUACIJSA-N 1 0 332.532 4.282 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2cccc(O)c2)cc1OC ZINC000623403947 1032542016 /nfs/dbraw/zinc/54/20/16/1032542016.db2.gz LSFLCHRAMMQUSX-ZDUSSCGKSA-N 1 0 347.842 4.470 20 30 EIEDRO Cc1cc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)ccc1C#N ZINC000500544990 1032623116 /nfs/dbraw/zinc/62/31/16/1032623116.db2.gz LUXDKWFGGCHLOL-HXUWFJFHSA-N 1 0 340.854 4.012 20 30 EIEDRO CC[C@@H](C)[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000533369172 1032706066 /nfs/dbraw/zinc/70/60/66/1032706066.db2.gz VEQJAILNIRWIML-MRXNPFEDSA-N 1 0 338.451 4.376 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429577261 1032787583 /nfs/dbraw/zinc/78/75/83/1032787583.db2.gz FDHWYZSGPBMAIK-BZUAXINKSA-N 1 0 345.512 4.140 20 30 EIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000126842009 1018856519 /nfs/dbraw/zinc/85/65/19/1018856519.db2.gz BFLOWDSCYBDVJT-LBPRGKRZSA-N 1 0 347.871 4.295 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCc1cncn1C)c1ccc(C(F)(F)F)cc1 ZINC000459386655 1032808025 /nfs/dbraw/zinc/80/80/25/1032808025.db2.gz LRRAXJPJPNXELD-QGZVFWFLSA-N 1 0 337.389 4.279 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000043303452 1019335670 /nfs/dbraw/zinc/33/56/70/1019335670.db2.gz HYZFPCOFEAJVLT-HOTGVXAUSA-N 1 0 343.430 4.389 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1cc(OCC)ccc1O)c1ccc(F)c(F)c1 ZINC000187372597 1019497954 /nfs/dbraw/zinc/49/79/54/1019497954.db2.gz IQGZCSZXORUXRJ-LJQANCHMSA-N 1 0 333.378 4.476 20 30 EIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000579864103 1019769234 /nfs/dbraw/zinc/76/92/34/1019769234.db2.gz OCFPBHWIVSSVMH-HNNXBMFYSA-N 1 0 328.435 4.382 20 30 EIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000339659835 1019776943 /nfs/dbraw/zinc/77/69/43/1019776943.db2.gz CBOAWEJEYHRLBC-SFHVURJKSA-N 1 0 348.425 4.020 20 30 EIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000339661001 1019786169 /nfs/dbraw/zinc/78/61/69/1019786169.db2.gz KYZZPUOGDQLPTI-IBGZPJMESA-N 1 0 348.425 4.020 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(Cl)cn1 ZINC000274899618 1019842330 /nfs/dbraw/zinc/84/23/30/1019842330.db2.gz KYIPRGTUVKIONX-CYBMUJFWSA-N 1 0 331.872 4.191 20 30 EIEDRO N#Cc1ccc(CC[N@H+](Cc2ccccc2)Cc2cccnc2)cc1 ZINC001208926188 1019850595 /nfs/dbraw/zinc/85/05/95/1019850595.db2.gz CWCCEPYYDRSCFT-UHFFFAOYSA-N 1 0 327.431 4.198 20 30 EIEDRO CCOC(C)(C)C[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001209074354 1019972356 /nfs/dbraw/zinc/97/23/56/1019972356.db2.gz ASYFMBPWJKZCSK-UHFFFAOYSA-N 1 0 347.462 4.247 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000237502127 1032867490 /nfs/dbraw/zinc/86/74/90/1032867490.db2.gz JIBKYYPMMYZWJN-SCLBCKFNSA-N 1 0 342.439 4.443 20 30 EIEDRO C=CCCC[NH+]1CCC(C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC001209160237 1020067633 /nfs/dbraw/zinc/06/76/33/1020067633.db2.gz KXFVGDLHNSTBQG-UHFFFAOYSA-N 1 0 340.511 4.217 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCC12CCOCC2 ZINC001167115530 1020213261 /nfs/dbraw/zinc/21/32/61/1020213261.db2.gz FMQVGJZYAWACKA-IBGZPJMESA-N 1 0 329.484 4.280 20 30 EIEDRO C=CCCCCCC[N@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001209438404 1020340691 /nfs/dbraw/zinc/34/06/91/1020340691.db2.gz KWYZQGOOWQFWPU-OAHLLOKOSA-N 1 0 326.282 4.029 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001167247878 1020665249 /nfs/dbraw/zinc/66/52/49/1020665249.db2.gz GCIGFIBULGCUSY-IAGOWNOFSA-N 1 0 340.389 4.269 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1Cl ZINC000121173753 1020747978 /nfs/dbraw/zinc/74/79/78/1020747978.db2.gz QANYBWWDDBTXSS-HNNXBMFYSA-N 1 0 331.847 4.008 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Oc1cccc(F)c1 ZINC000175799082 1020796536 /nfs/dbraw/zinc/79/65/36/1020796536.db2.gz BKCPIDGXKHXZLN-YJBOKZPZSA-N 1 0 342.414 4.064 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(OCc2ccccn2)c1 ZINC000176951233 1020938527 /nfs/dbraw/zinc/93/85/27/1020938527.db2.gz DFMJCKZROYTFAG-HNNXBMFYSA-N 1 0 349.459 4.445 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCOc2ccccc2-c2ccccc2)s1 ZINC000176956584 1020939730 /nfs/dbraw/zinc/93/97/30/1020939730.db2.gz OBDYZFKOWONJPB-UHFFFAOYSA-N 1 0 334.444 4.455 20 30 EIEDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)s2)cnn1-c1ccc(F)cc1 ZINC000176957693 1020939773 /nfs/dbraw/zinc/93/97/73/1020939773.db2.gz GBSJPHBONMXSSM-LBPRGKRZSA-N 1 0 340.427 4.104 20 30 EIEDRO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001167302065 1020978449 /nfs/dbraw/zinc/97/84/49/1020978449.db2.gz GBPQEZQEOSWKJB-QGZVFWFLSA-N 1 0 335.407 4.236 20 30 EIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000340444670 1021039265 /nfs/dbraw/zinc/03/92/65/1021039265.db2.gz IAXCKEJLEXWDAY-LAUBAEHRSA-N 1 0 345.450 4.353 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000340447955 1021043295 /nfs/dbraw/zinc/04/32/95/1021043295.db2.gz QFFBJGZOGQJCOJ-QGZVFWFLSA-N 1 0 339.405 4.038 20 30 EIEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000560528556 1021127108 /nfs/dbraw/zinc/12/71/08/1021127108.db2.gz ICZCCBLLURIKHF-LEWJYISDSA-N 1 0 325.500 4.331 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccncc2OCc2ccccc2)ccc1C#N ZINC000512512194 1032957313 /nfs/dbraw/zinc/95/73/13/1032957313.db2.gz RJJLENHGEUIEAP-UHFFFAOYSA-N 1 0 343.430 4.131 20 30 EIEDRO C=CC[C@H](CC)[NH2+][C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000500818886 1032962745 /nfs/dbraw/zinc/96/27/45/1032962745.db2.gz WYOKWRYXBQTYPR-PXNSSMCTSA-N 1 0 338.451 4.319 20 30 EIEDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000610344740 1021343994 /nfs/dbraw/zinc/34/39/94/1021343994.db2.gz GPSIECISVQEIDO-ZDUSSCGKSA-N 1 0 344.842 4.470 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000610344634 1021345224 /nfs/dbraw/zinc/34/52/24/1021345224.db2.gz BMOKSNIKSGPEMD-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610346456 1021358842 /nfs/dbraw/zinc/35/88/42/1021358842.db2.gz VATNUAQOEAWJTG-ZIAGYGMSSA-N 1 0 341.842 4.198 20 30 EIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000175871123 1021399311 /nfs/dbraw/zinc/39/93/11/1021399311.db2.gz BKUQAQDDNSVXSC-RBUKOAKNSA-N 1 0 331.529 4.190 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@H+](CCCCC(C)(C)C#N)C[C@H]21 ZINC000376095911 1021431593 /nfs/dbraw/zinc/43/15/93/1021431593.db2.gz JYOLIHMRLJDRKM-DLBZAZTESA-N 1 0 349.519 4.038 20 30 EIEDRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000610363085 1021492826 /nfs/dbraw/zinc/49/28/26/1021492826.db2.gz TYTNUXUUMUHEFB-KRWDZBQOSA-N 1 0 347.462 4.035 20 30 EIEDRO C[C@@H](CNc1ccc(Cl)cc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000511394124 1021494023 /nfs/dbraw/zinc/49/40/23/1021494023.db2.gz AXFXVJDXVNFPIT-AWEZNQCLSA-N 1 0 325.843 4.070 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)c1 ZINC000177697781 1021541250 /nfs/dbraw/zinc/54/12/50/1021541250.db2.gz MVLKKHGWCJQURL-UHFFFAOYSA-N 1 0 346.883 4.111 20 30 EIEDRO CC1CCN(c2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)CC1 ZINC000177698427 1021584490 /nfs/dbraw/zinc/58/44/90/1021584490.db2.gz RSWJGLKJJMRVLX-UHFFFAOYSA-N 1 0 325.481 4.146 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc(C#N)c1 ZINC000376163060 1021635610 /nfs/dbraw/zinc/63/56/10/1021635610.db2.gz AHDYMYMNIRACDW-HOCLYGCPSA-N 1 0 341.405 4.014 20 30 EIEDRO CCCN(Cc1ccc(C#N)cn1)Cc1ccccc1Br ZINC000581141022 1021836855 /nfs/dbraw/zinc/83/68/55/1021836855.db2.gz UGBGOLNBROAATA-UHFFFAOYSA-N 1 0 344.256 4.128 20 30 EIEDRO CN(C)C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000581518573 1021859947 /nfs/dbraw/zinc/85/99/47/1021859947.db2.gz IWXUYVQSZZOAIB-WOJBJXKFSA-N 1 0 339.870 4.091 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2c3ccc(F)cc3O[C@@H]2C)cc1OC ZINC000580357117 1021898648 /nfs/dbraw/zinc/89/86/48/1021898648.db2.gz XQPSERWYPYHOGD-XCLFUZPHSA-N 1 0 343.398 4.011 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001167387904 1021935258 /nfs/dbraw/zinc/93/52/58/1021935258.db2.gz YLXRUCHGVPTOQS-MRXNPFEDSA-N 1 0 348.918 4.413 20 30 EIEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)[C@H](O)c1ccccc1 ZINC000279937845 1033018721 /nfs/dbraw/zinc/01/87/21/1033018721.db2.gz BCPSTHNLXIECGF-TYCQWZJGSA-N 1 0 338.451 4.142 20 30 EIEDRO C[N@@H+]1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@H]1c1ccccc1 ZINC000613430903 1022011658 /nfs/dbraw/zinc/01/16/58/1022011658.db2.gz HXOBHTQIGOWVSS-IEBWSBKVSA-N 1 0 334.467 4.108 20 30 EIEDRO CC[C@@H]([NH2+][C@H](Cc1nc(C)no1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278802049 1022214913 /nfs/dbraw/zinc/21/49/13/1022214913.db2.gz RFGCOIQLMANBFV-WOJBJXKFSA-N 1 0 346.434 4.274 20 30 EIEDRO CC(C)=CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941836 1022348980 /nfs/dbraw/zinc/34/89/80/1022348980.db2.gz DHAJHMLTXJPZKS-IUCAKERBSA-N 1 0 337.254 4.055 20 30 EIEDRO N#CC1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCCCC1 ZINC000057387601 1022387898 /nfs/dbraw/zinc/38/78/98/1022387898.db2.gz PPEWDZGCZWMVAV-UHFFFAOYSA-N 1 0 325.456 4.085 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000188025088 1022412532 /nfs/dbraw/zinc/41/25/32/1022412532.db2.gz FNVKMYAITQNUEW-FXAWDEMLSA-N 1 0 325.500 4.081 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659013516 1022634634 /nfs/dbraw/zinc/63/46/34/1022634634.db2.gz RPVGXYZAWYVKLO-LJQANCHMSA-N 1 0 341.499 4.049 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1ccco1 ZINC000367614932 1022667446 /nfs/dbraw/zinc/66/74/46/1022667446.db2.gz JGIKQCRIGAXTNQ-SFHVURJKSA-N 1 0 325.456 4.249 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)c1ccc(OCC#N)cc1 ZINC000180540613 1022713593 /nfs/dbraw/zinc/71/35/93/1022713593.db2.gz ZKNXDECVMHHOKF-IAGOWNOFSA-N 1 0 346.434 4.186 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000186697037 1022720197 /nfs/dbraw/zinc/72/01/97/1022720197.db2.gz ZJZSWXUGYRUXBO-CVEARBPZSA-N 1 0 328.481 4.023 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181925079 1022744032 /nfs/dbraw/zinc/74/40/32/1022744032.db2.gz DRNUFDNRRUEJEU-MRXNPFEDSA-N 1 0 338.451 4.226 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)s1 ZINC000180620776 1022753659 /nfs/dbraw/zinc/75/36/59/1022753659.db2.gz SRXYCCRLAWDOIW-PBHICJAKSA-N 1 0 330.453 4.081 20 30 EIEDRO CC[C@H](CC(F)F)C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000659970917 1022790195 /nfs/dbraw/zinc/79/01/95/1022790195.db2.gz SDIQCTWRSGLMER-IWSPIJDZSA-N 1 0 327.259 4.340 20 30 EIEDRO CC[C@H](CC(F)F)C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000659970919 1022790151 /nfs/dbraw/zinc/79/01/51/1022790151.db2.gz SDIQCTWRSGLMER-VGMNWLOBSA-N 1 0 327.259 4.340 20 30 EIEDRO Cc1c(Cl)cnc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1C#N ZINC000561327661 1022899832 /nfs/dbraw/zinc/89/98/32/1022899832.db2.gz XMVSHUQRDRZQFK-GUYCJALGSA-N 1 0 328.847 4.018 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)c2ccc(C#N)cc2)cc1 ZINC000510389223 1023034594 /nfs/dbraw/zinc/03/45/94/1023034594.db2.gz LYRPDVMMCGLWLE-UHFFFAOYSA-N 1 0 349.478 4.457 20 30 EIEDRO N#CCCn1cc(C[NH+]2CCC3(CCC3)CC2)c(-c2ccccc2)n1 ZINC000589188168 1023094641 /nfs/dbraw/zinc/09/46/41/1023094641.db2.gz DITGHWCJJPDOHT-UHFFFAOYSA-N 1 0 334.467 4.230 20 30 EIEDRO N#CCC1CC[NH+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000581396429 1023098925 /nfs/dbraw/zinc/09/89/25/1023098925.db2.gz BFUFYJAPCKRSEQ-UHFFFAOYSA-N 1 0 348.372 4.017 20 30 EIEDRO C=C[C@H](CC)CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000933256634 1023141856 /nfs/dbraw/zinc/14/18/56/1023141856.db2.gz FNDLBHNFMMJOHN-QGZVFWFLSA-N 1 0 343.515 4.005 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)cc1 ZINC000120271199 1023153901 /nfs/dbraw/zinc/15/39/01/1023153901.db2.gz YWYFWCKQYSMKPW-INIZCTEOSA-N 1 0 345.830 4.101 20 30 EIEDRO N#CCSCCC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511611302 1023203672 /nfs/dbraw/zinc/20/36/72/1023203672.db2.gz QRTZMCYCTGJNJM-HNNXBMFYSA-N 1 0 344.402 4.273 20 30 EIEDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000053235435 1023205955 /nfs/dbraw/zinc/20/59/55/1023205955.db2.gz AVGBDKWVVDHBGJ-GFCCVEGCSA-N 1 0 347.871 4.295 20 30 EIEDRO C[NH+](C)Cc1ccc(-c2noc([C@H](C#N)CCc3ccccc3)n2)cc1 ZINC000417272548 1023233746 /nfs/dbraw/zinc/23/37/46/1023233746.db2.gz URPCRJQJUVJUGF-IBGZPJMESA-N 1 0 346.434 4.038 20 30 EIEDRO COc1ncc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000417374739 1023288384 /nfs/dbraw/zinc/28/83/84/1023288384.db2.gz YNQQURBDPLXFHN-XIKOKIGWSA-N 1 0 341.842 4.343 20 30 EIEDRO Cc1cc(C#N)ccc1Oc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1 ZINC000414626074 1023299359 /nfs/dbraw/zinc/29/93/59/1023299359.db2.gz JMWFXLVJBNMMPY-UHFFFAOYSA-N 1 0 346.390 4.047 20 30 EIEDRO C[C@H](c1ccccc1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000376824232 1023321215 /nfs/dbraw/zinc/32/12/15/1023321215.db2.gz URHAQHLMXKOHPB-MRXNPFEDSA-N 1 0 330.435 4.152 20 30 EIEDRO C#CCC1([NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCC1 ZINC000933300017 1023338995 /nfs/dbraw/zinc/33/89/95/1023338995.db2.gz ORVOKYDJBGDPCN-UHFFFAOYSA-N 1 0 345.657 4.121 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000377057084 1023362713 /nfs/dbraw/zinc/36/27/13/1023362713.db2.gz ONYZTKPFRGZLQT-UHFFFAOYSA-N 1 0 328.456 4.007 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000341211447 1023378348 /nfs/dbraw/zinc/37/83/48/1023378348.db2.gz SWGIHSVGXYLSKB-GOSISDBHSA-N 1 0 349.316 4.067 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000341211448 1023379471 /nfs/dbraw/zinc/37/94/71/1023379471.db2.gz SWGIHSVGXYLSKB-SFHVURJKSA-N 1 0 349.316 4.067 20 30 EIEDRO CC(C)C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000549161292 1023406160 /nfs/dbraw/zinc/40/61/60/1023406160.db2.gz ANCIQMLMHGHYNN-DYESRHJHSA-N 1 0 349.478 4.112 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000313718714 1023416153 /nfs/dbraw/zinc/41/61/53/1023416153.db2.gz RDOPKEBKPIXXHF-CYBMUJFWSA-N 1 0 329.241 4.214 20 30 EIEDRO COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1C#N ZINC000549173592 1023420445 /nfs/dbraw/zinc/42/04/45/1023420445.db2.gz SMLFOTPQQJIQPD-MRXNPFEDSA-N 1 0 338.373 4.121 20 30 EIEDRO C=CCSCC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000781898982 1023455694 /nfs/dbraw/zinc/45/56/94/1023455694.db2.gz FIODCKNHHPZWEE-UHFFFAOYSA-N 1 0 333.541 4.449 20 30 EIEDRO CC(C)N(CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)C ZINC000500031048 1023459026 /nfs/dbraw/zinc/45/90/26/1023459026.db2.gz RKEUZILIGGKWTD-UHFFFAOYSA-N 1 0 327.516 4.099 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000341290144 1023537389 /nfs/dbraw/zinc/53/73/89/1023537389.db2.gz NOGXXQPJETZFGQ-SFHVURJKSA-N 1 0 341.842 4.281 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCc2c[nH]c3ccc(F)cc23)c(F)c1 ZINC000337309927 1023541451 /nfs/dbraw/zinc/54/14/51/1023541451.db2.gz UIKRCVQQTXEKOG-UHFFFAOYSA-N 1 0 325.362 4.040 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000418138342 1023555757 /nfs/dbraw/zinc/55/57/57/1023555757.db2.gz CSIAAOCCORVBRF-FQEVSTJZSA-N 1 0 348.446 4.299 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800181 1023576411 /nfs/dbraw/zinc/57/64/11/1023576411.db2.gz GTOHOMTYHXEBMS-ZHRRBRCNSA-N 1 0 346.430 4.119 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000278831144 1023584188 /nfs/dbraw/zinc/58/41/88/1023584188.db2.gz UYFHEHGKTFUQQN-UHFFFAOYSA-N 1 0 327.403 4.433 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000549269727 1023600586 /nfs/dbraw/zinc/60/05/86/1023600586.db2.gz OVYGQUCNZNZHBK-HXUWFJFHSA-N 1 0 344.886 4.297 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC000549269726 1023601620 /nfs/dbraw/zinc/60/16/20/1023601620.db2.gz OVYGQUCNZNZHBK-FQEVSTJZSA-N 1 0 344.886 4.297 20 30 EIEDRO C=C(Cl)C[NH+]1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000377596208 1023621746 /nfs/dbraw/zinc/62/17/46/1023621746.db2.gz WUOXLGKYWAOWIL-OAHLLOKOSA-N 1 0 347.821 4.198 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000053644332 1023695704 /nfs/dbraw/zinc/69/57/04/1023695704.db2.gz YGCHUJHJHBQZHI-MRXNPFEDSA-N 1 0 345.443 4.074 20 30 EIEDRO N#CCCCOc1cccc(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000377703118 1023696354 /nfs/dbraw/zinc/69/63/54/1023696354.db2.gz QPVQRSBSEXUYCY-UHFFFAOYSA-N 1 0 335.451 4.144 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415589736 1023713328 /nfs/dbraw/zinc/71/33/28/1023713328.db2.gz ZHPOFPWSWPNILQ-FQEVSTJZSA-N 1 0 329.488 4.050 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(OCC#N)cc1 ZINC000377796129 1023763494 /nfs/dbraw/zinc/76/34/94/1023763494.db2.gz LKVQBPZMMHUROA-HBGVWJBISA-N 1 0 336.435 4.160 20 30 EIEDRO C=CCn1c(SC[C@H]2CCCC[N@H+]2C(C)C)nnc1-c1ccco1 ZINC000559194532 1023797729 /nfs/dbraw/zinc/79/77/29/1023797729.db2.gz NDGPONNWAXOJRQ-OAHLLOKOSA-N 1 0 346.500 4.079 20 30 EIEDRO Cc1nsc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C#N ZINC000341532130 1023833008 /nfs/dbraw/zinc/83/30/08/1023833008.db2.gz ZVNSLBBUQJIIAS-CQSZACIVSA-N 1 0 340.496 4.167 20 30 EIEDRO C=CCc1cc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)cc(OC)c1O ZINC000511757542 1023864926 /nfs/dbraw/zinc/86/49/26/1023864926.db2.gz PGRGJNOOOLVACR-AWEZNQCLSA-N 1 0 327.424 4.448 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(Br)c1 ZINC000053331746 1023939960 /nfs/dbraw/zinc/93/99/60/1023939960.db2.gz YDNGUXGIQCUTCX-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000124384830 1023941130 /nfs/dbraw/zinc/94/11/30/1023941130.db2.gz FCONMXVORQSHSQ-HNNXBMFYSA-N 1 0 335.517 4.095 20 30 EIEDRO N#CCC1(CN[C@@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000430751034 1024007616 /nfs/dbraw/zinc/00/76/16/1024007616.db2.gz RQKPVBQYKKOELQ-MRXNPFEDSA-N 1 0 345.240 4.415 20 30 EIEDRO C=CC[C@H]1CCCN([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380603 1024078984 /nfs/dbraw/zinc/07/89/84/1024078984.db2.gz OWZHPXRFEZBVIP-JSGCOSHPSA-N 1 0 331.485 4.363 20 30 EIEDRO Fc1ccc(OC(F)(F)F)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC001143544781 1033182847 /nfs/dbraw/zinc/18/28/47/1033182847.db2.gz JMVCBVHFHXWERQ-VIFPVBQESA-N 1 0 331.231 4.109 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000651670159 1024132057 /nfs/dbraw/zinc/13/20/57/1024132057.db2.gz XWCZWHZJZYZXTA-PXNSSMCTSA-N 1 0 326.484 4.147 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc(CC[NH2+]CC(C)(C)CCC#N)cc1 ZINC000088757235 1024158973 /nfs/dbraw/zinc/15/89/73/1024158973.db2.gz YLHVEHXTUBWEMN-UHFFFAOYSA-N 1 0 345.487 4.496 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C#N)CCCCC2)c(C)c1 ZINC000595101662 1024199875 /nfs/dbraw/zinc/19/98/75/1024199875.db2.gz YUBNINPHAVNDHL-QGZVFWFLSA-N 1 0 327.472 4.084 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430913785 1024221618 /nfs/dbraw/zinc/22/16/18/1024221618.db2.gz YDAYJYLCWIPMEG-PGRDOPGGSA-N 1 0 334.463 4.343 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cnc(CC(F)(F)F)s1 ZINC000893418868 1024222738 /nfs/dbraw/zinc/22/27/38/1024222738.db2.gz AFEAUXVJGHVNOX-UHFFFAOYSA-N 1 0 330.375 4.072 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000661117149 1024249963 /nfs/dbraw/zinc/24/99/63/1024249963.db2.gz PESBYPPDWZIAPS-UKRRQHHQSA-N 1 0 337.423 4.306 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000661117088 1024250476 /nfs/dbraw/zinc/25/04/76/1024250476.db2.gz OAQAMXKEEIBIIX-SWLSCSKDSA-N 1 0 331.847 4.213 20 30 EIEDRO Cc1cccc([C@H]2CCCC[N@@H+]2C[C@H](O)CC2(C#N)CCC2)c1C ZINC001167493543 1024345074 /nfs/dbraw/zinc/34/50/74/1024345074.db2.gz ZNOLYDNWXIWREQ-UYAOXDASSA-N 1 0 326.484 4.275 20 30 EIEDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000093559100 1024587684 /nfs/dbraw/zinc/58/76/84/1024587684.db2.gz KPQICDHPDHZIOM-SFHVURJKSA-N 1 0 334.423 4.225 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2ccnc2)cc1 ZINC000341758445 1024617239 /nfs/dbraw/zinc/61/72/39/1024617239.db2.gz PNEYTHWXYKGMEI-OPAMFIHVSA-N 1 0 342.446 4.472 20 30 EIEDRO CCN(Cc1c(C)nn(Cc2ccccc2Cl)c1C)C[C@@H](C)C#N ZINC000091983477 1024709649 /nfs/dbraw/zinc/70/96/49/1024709649.db2.gz OWLQYBAZMLQYEQ-AWEZNQCLSA-N 1 0 344.890 4.183 20 30 EIEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000610719294 1024717655 /nfs/dbraw/zinc/71/76/55/1024717655.db2.gz WBNPXGRYXWXLJJ-INIZCTEOSA-N 1 0 349.453 4.113 20 30 EIEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610719299 1024718090 /nfs/dbraw/zinc/71/80/90/1024718090.db2.gz WHUJQMAEJYPFME-WIYYLYMNSA-N 1 0 338.426 4.297 20 30 EIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000510978305 1024873757 /nfs/dbraw/zinc/87/37/57/1024873757.db2.gz LHCDDABYEQUUSW-ZMZPIMSZSA-N 1 0 328.362 4.183 20 30 EIEDRO CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000330250109 1024880054 /nfs/dbraw/zinc/88/00/54/1024880054.db2.gz HAEZIRWIIVBPBQ-QWHCGFSZSA-N 1 0 331.485 4.207 20 30 EIEDRO CC(C)Cc1ncc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341886429 1024885001 /nfs/dbraw/zinc/88/50/01/1024885001.db2.gz NOTQGJPUNKPWLA-GOSISDBHSA-N 1 0 325.481 4.380 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000093888797 1024914592 /nfs/dbraw/zinc/91/45/92/1024914592.db2.gz GJELZNYDGVCULC-VOIUYBSRSA-N 1 0 343.492 4.182 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000093888798 1024915068 /nfs/dbraw/zinc/91/50/68/1024915068.db2.gz GJELZNYDGVCULC-FYSMJZIKSA-N 1 0 343.492 4.182 20 30 EIEDRO COC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000341892194 1024947112 /nfs/dbraw/zinc/94/71/12/1024947112.db2.gz WGQQNMWVLCPQAY-UXHICEINSA-N 1 0 342.389 4.191 20 30 EIEDRO CC[C@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)c1ccc(C#N)cc1 ZINC000278861004 1024989050 /nfs/dbraw/zinc/98/90/50/1024989050.db2.gz WIPLRDADQZJCOB-IBGZPJMESA-N 1 0 337.423 4.020 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000341937867 1025002569 /nfs/dbraw/zinc/00/25/69/1025002569.db2.gz CTFPLVWRGJAXGE-LJQANCHMSA-N 1 0 336.435 4.243 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000610812802 1025019617 /nfs/dbraw/zinc/01/96/17/1025019617.db2.gz MMWQREUFBALRLQ-SNVBAGLBSA-N 1 0 346.689 4.285 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610829774 1025052723 /nfs/dbraw/zinc/05/27/23/1025052723.db2.gz JUWCTSRIPBGWEE-SJORKVTESA-N 1 0 335.451 4.243 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000610859169 1025072479 /nfs/dbraw/zinc/07/24/79/1025072479.db2.gz GIVLBTVBAWVFKE-WOJBJXKFSA-N 1 0 345.490 4.056 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000063493742 1025097859 /nfs/dbraw/zinc/09/78/59/1025097859.db2.gz ULAUDQLWEMXGNU-UHFFFAOYSA-N 1 0 333.863 4.195 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nc2ccccc2[nH]1 ZINC000236790598 1025221572 /nfs/dbraw/zinc/22/15/72/1025221572.db2.gz AUZAWBQGYJKXTL-QRWLVFNGSA-N 1 0 348.450 4.341 20 30 EIEDRO C=C[C@H](CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000181549567 1025241460 /nfs/dbraw/zinc/24/14/60/1025241460.db2.gz VUIXTNLYDGTNFH-QWFCFKBJSA-N 1 0 340.511 4.116 20 30 EIEDRO N#Cc1cc(CN2CCC[C@@H]2c2ccccc2Br)ccn1 ZINC000610994631 1025242071 /nfs/dbraw/zinc/24/20/71/1025242071.db2.gz LEEZRQKVJTVLPG-QGZVFWFLSA-N 1 0 342.240 4.053 20 30 EIEDRO N#CCCCC[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000278872016 1025248637 /nfs/dbraw/zinc/24/86/37/1025248637.db2.gz OERYYDQNCWBYCJ-UHFFFAOYSA-N 1 0 334.463 4.331 20 30 EIEDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N2CCCC2)cc1 ZINC000538394099 1025386911 /nfs/dbraw/zinc/38/69/11/1025386911.db2.gz NMSYSITVOQRKRW-GCJKJVERSA-N 1 0 333.479 4.354 20 30 EIEDRO CC(=NNc1cccc2cnccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000728432804 1025400048 /nfs/dbraw/zinc/40/00/48/1025400048.db2.gz BZFVMUDLVGBMDA-UHFFFAOYSA-N 1 0 348.450 4.011 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCC(=O)N(C)CC)c1ccc(C(F)(F)F)cc1 ZINC000342221054 1025489156 /nfs/dbraw/zinc/48/91/56/1025489156.db2.gz JVYMXBNPKVEBHF-MRXNPFEDSA-N 1 0 342.405 4.171 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N(C)c2ccc(C#N)cc2)cc1)C(C)C ZINC000440049073 1025570172 /nfs/dbraw/zinc/57/01/72/1025570172.db2.gz IJIQSBLCLIVDCI-UHFFFAOYSA-N 1 0 335.451 4.065 20 30 EIEDRO C=C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512029524 1025795074 /nfs/dbraw/zinc/79/50/74/1025795074.db2.gz CTSZOQADEVKDMY-VHSXEESVSA-N 1 0 334.769 4.240 20 30 EIEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1C(F)(F)F ZINC000585766914 1025829202 /nfs/dbraw/zinc/82/92/02/1025829202.db2.gz AUAMNRGJHHKVMP-GFCCVEGCSA-N 1 0 344.340 4.076 20 30 EIEDRO CCOc1cc(C[N@H+](C)CCC(C)(C)C#N)ccc1OC(F)F ZINC000157633047 1025890423 /nfs/dbraw/zinc/89/04/23/1025890423.db2.gz ZDHCJRVWQQQVJL-UHFFFAOYSA-N 1 0 326.387 4.058 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000472135132 1025926469 /nfs/dbraw/zinc/92/64/69/1025926469.db2.gz VBVBOGOOQWHQPG-LDYMZIIASA-N 1 0 335.181 4.377 20 30 EIEDRO Cc1ccccc1[C@H](NCc1ncc(C#N)cn1)[C@@H]1CCC[C@@H](C)C1 ZINC000582052783 1026036338 /nfs/dbraw/zinc/03/63/38/1026036338.db2.gz SJCPXQCBXIEEHK-FQELHTAISA-N 1 0 334.467 4.314 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000539495075 1026093119 /nfs/dbraw/zinc/09/31/19/1026093119.db2.gz CQQIAZPYMVVXLK-LIRRHRJNSA-N 1 0 327.859 4.165 20 30 EIEDRO Cc1cccnc1[C@@H]([NH2+]CCCC1(C#N)CCOCC1)C(C)(C)C ZINC000934290143 1026165091 /nfs/dbraw/zinc/16/50/91/1026165091.db2.gz WLOCBHHTKVQXHW-GOSISDBHSA-N 1 0 329.488 4.167 20 30 EIEDRO C=CCOC(=O)N1CCC2(C[NH+](CCCC3CCCCC3)C2)CC1 ZINC001207606297 1026174114 /nfs/dbraw/zinc/17/41/14/1026174114.db2.gz HUHCVMABIJOVJP-UHFFFAOYSA-N 1 0 334.504 4.067 20 30 EIEDRO Fc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)cc1OC(F)(F)F ZINC001143436701 1026179999 /nfs/dbraw/zinc/17/99/99/1026179999.db2.gz RTKNYYSZXYBYNY-LBPRGKRZSA-N 1 0 345.258 4.294 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000582109614 1026183211 /nfs/dbraw/zinc/18/32/11/1026183211.db2.gz PWGYSDVYLUMJGQ-UHFFFAOYSA-N 1 0 343.515 4.389 20 30 EIEDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(-c2ccccc2)no1 ZINC000182086196 1026213292 /nfs/dbraw/zinc/21/32/92/1026213292.db2.gz MQGKRPHDPNSWDT-CABCVRRESA-N 1 0 332.407 4.063 20 30 EIEDRO C=CCCOCC[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000344340246 1026252557 /nfs/dbraw/zinc/25/25/57/1026252557.db2.gz YAVSMIRVPZYOID-HNNXBMFYSA-N 1 0 330.241 4.222 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000609494854 1026313458 /nfs/dbraw/zinc/31/34/58/1026313458.db2.gz OCBFEWQIUZJCME-QGZVFWFLSA-N 1 0 329.831 4.444 20 30 EIEDRO CCc1ccc(N2CC[NH+](CCC3(C#N)CCCCC3)CC2)cc1 ZINC001167554509 1026318920 /nfs/dbraw/zinc/31/89/20/1026318920.db2.gz QIGGCYAMIMXNLB-UHFFFAOYSA-N 1 0 325.500 4.235 20 30 EIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000540290155 1026337299 /nfs/dbraw/zinc/33/72/99/1026337299.db2.gz GLZLWVZAMUHRJU-XJKSGUPXSA-N 1 0 327.378 4.084 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000550230254 1026384836 /nfs/dbraw/zinc/38/48/36/1026384836.db2.gz ZZTMSAYGLMPSMR-UHFFFAOYSA-N 1 0 340.467 4.361 20 30 EIEDRO COc1ccc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)cc1OCCCC#N ZINC000344436326 1026392978 /nfs/dbraw/zinc/39/29/78/1026392978.db2.gz NCPVCBLZAXEOAV-HZPDHXFCSA-N 1 0 330.472 4.292 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000563329325 1026552767 /nfs/dbraw/zinc/55/27/67/1026552767.db2.gz ZGZWGYZGVOTVOK-IBGZPJMESA-N 1 0 336.435 4.133 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)C(c1ccccc1)c1ccccc1 ZINC000562046737 1026612929 /nfs/dbraw/zinc/61/29/29/1026612929.db2.gz FIVDXVGYIRDBAG-KRWDZBQOSA-N 1 0 327.431 4.263 20 30 EIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511125460 1026637701 /nfs/dbraw/zinc/63/77/01/1026637701.db2.gz NWLWDDDUSBQTRQ-UHFFFAOYSA-N 1 0 348.368 4.326 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)nc1 ZINC000563364861 1026679597 /nfs/dbraw/zinc/67/95/97/1026679597.db2.gz RHJJUYNRSGMQDN-LJQANCHMSA-N 1 0 327.378 4.015 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)o1)Cc1ccc(Br)cc1 ZINC000507169299 1026683968 /nfs/dbraw/zinc/68/39/68/1026683968.db2.gz IGTXCENNWZITOS-UHFFFAOYSA-N 1 0 333.229 4.324 20 30 EIEDRO CCCCOc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1OC ZINC000507215294 1026706891 /nfs/dbraw/zinc/70/68/91/1026706891.db2.gz VFJIEUNZBHWRTF-UHFFFAOYSA-N 1 0 338.451 4.378 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)CCc2cccn2C)ccc1OC ZINC000237158759 1026741047 /nfs/dbraw/zinc/74/10/47/1026741047.db2.gz OFPHWLQXMBXKSJ-QGZVFWFLSA-N 1 0 342.483 4.100 20 30 EIEDRO C=CC[C@@H]1N(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CCCC1(C)C ZINC000418673763 1026789874 /nfs/dbraw/zinc/78/98/74/1026789874.db2.gz OFCHFKZJMVPQAR-MOPGFXCFSA-N 1 0 343.515 4.243 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)cc1 ZINC000479250236 1026793182 /nfs/dbraw/zinc/79/31/82/1026793182.db2.gz IFQRRZNHBJRRBL-CZUORRHYSA-N 1 0 343.833 4.280 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+][C@H]3CCCC[C@H]3C3CC3)CC2)nc1 ZINC000507470064 1026806141 /nfs/dbraw/zinc/80/61/41/1026806141.db2.gz LUCNRKJRJYJJFA-GUMHCPJTSA-N 1 0 339.483 4.202 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000507509382 1026821147 /nfs/dbraw/zinc/82/11/47/1026821147.db2.gz KYQMHDUQCFCYID-HZPDHXFCSA-N 1 0 332.513 4.038 20 30 EIEDRO CC(C)C[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000342663394 1026822437 /nfs/dbraw/zinc/82/24/37/1026822437.db2.gz QDXLVLPEHZTDQP-QGZVFWFLSA-N 1 0 337.467 4.106 20 30 EIEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCCC[C@@H]1C ZINC000507636265 1026860230 /nfs/dbraw/zinc/86/02/30/1026860230.db2.gz MTOBMZGFXFNKPA-LAXGTINGSA-N 1 0 339.527 4.243 20 30 EIEDRO CC1(C)[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@H]2CCCO[C@H]21 ZINC000507649512 1026861578 /nfs/dbraw/zinc/86/15/78/1026861578.db2.gz LXJPXCPKRXJGQL-AILNURRJSA-N 1 0 338.495 4.184 20 30 EIEDRO CCCOc1ncccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507652117 1026862531 /nfs/dbraw/zinc/86/25/31/1026862531.db2.gz HSEHXRRDFOEPRU-UHFFFAOYSA-N 1 0 349.478 4.364 20 30 EIEDRO CC[N@H+](CC(=O)N[C@H](C)CCCC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000507684797 1026873722 /nfs/dbraw/zinc/87/37/22/1026873722.db2.gz AIYFOHQQFTZDSM-MSOLQXFVSA-N 1 0 343.515 4.272 20 30 EIEDRO Cc1cc(C)cc(C2=CCN(Cc3cnc4ccc(C#N)cn34)CC2)c1 ZINC000507695269 1026876410 /nfs/dbraw/zinc/87/64/10/1026876410.db2.gz RIMVGDBUGZGQKU-UHFFFAOYSA-N 1 0 342.446 4.112 20 30 EIEDRO CC[N@H+](CCCOc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507709495 1026883934 /nfs/dbraw/zinc/88/39/34/1026883934.db2.gz SUHPHJQUUVJEHW-KRWDZBQOSA-N 1 0 338.451 4.419 20 30 EIEDRO CC(C)(C)c1cc(Nc2cc(Br)cnc2C#N)cc[nH+]1 ZINC001213162989 1026908783 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CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000441111268 1027281077 /nfs/dbraw/zinc/28/10/77/1027281077.db2.gz JBNKIMCPBVFLQU-HXUWFJFHSA-N 1 0 336.479 4.261 20 30 EIEDRO C=CCOc1cccc(C[NH2+]CCSCc2ccccc2C#N)c1 ZINC000520208942 1027317768 /nfs/dbraw/zinc/31/77/68/1027317768.db2.gz YBJADTKKKFEFMG-UHFFFAOYSA-N 1 0 338.476 4.146 20 30 EIEDRO C=CCC1([NH2+]Cc2cccc(OCc3ccccc3)c2)CCOCC1 ZINC000657632295 1027337729 /nfs/dbraw/zinc/33/77/29/1027337729.db2.gz FDXSMDWGQAZHLM-UHFFFAOYSA-N 1 0 337.463 4.481 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(Sc3ccccn3)o2)CCOCC1 ZINC000657633161 1027345838 /nfs/dbraw/zinc/34/58/38/1027345838.db2.gz JFONTSDVDAMAOR-UHFFFAOYSA-N 1 0 330.453 4.041 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000657633490 1027347016 /nfs/dbraw/zinc/34/70/16/1027347016.db2.gz VOOSRCBCGWPFTO-UHFFFAOYSA-N 1 0 337.463 4.481 20 30 EIEDRO C[N@H+](CC1(c2ccc(Br)cc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000429692286 1027378864 /nfs/dbraw/zinc/37/88/64/1027378864.db2.gz RWGQOVVWKYUYNT-XJKSGUPXSA-N 1 0 333.273 4.105 20 30 EIEDRO C=CCN(CCc1ccccc1)Cc1nc(CCc2ccccc2)no1 ZINC000441270039 1027398665 /nfs/dbraw/zinc/39/86/65/1027398665.db2.gz NHTBSVHBWVSNJQ-UHFFFAOYSA-N 1 0 347.462 4.086 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000441363339 1027487546 /nfs/dbraw/zinc/48/75/46/1027487546.db2.gz XJWYPCASYZPMEK-UHFFFAOYSA-N 1 0 344.352 4.186 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474800668 1027518825 /nfs/dbraw/zinc/51/88/25/1027518825.db2.gz IMQDCVZVLBFCSO-VBNZEHGJSA-N 1 0 346.883 4.434 20 30 EIEDRO Cc1noc([C@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000611727881 1027522025 /nfs/dbraw/zinc/52/20/25/1027522025.db2.gz WQPWRXVJFHPKAC-KGLIPLIRSA-N 1 0 332.407 4.329 20 30 EIEDRO Cc1noc([C@@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000611727882 1027522862 /nfs/dbraw/zinc/52/28/62/1027522862.db2.gz WQPWRXVJFHPKAC-UONOGXRCSA-N 1 0 332.407 4.329 20 30 EIEDRO C[C@@H]1C[C@@H](NC2(CC#N)CCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168042606 1027564183 /nfs/dbraw/zinc/56/41/83/1027564183.db2.gz ZYPIJALJYWHEHR-OPVJXMOQSA-N 1 0 325.500 4.244 20 30 EIEDRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000153544202 1027580006 /nfs/dbraw/zinc/58/00/06/1027580006.db2.gz IRODJIJNLXFGMM-OXJNMPFZSA-N 1 0 346.478 4.069 20 30 EIEDRO O=C(Nc1nc(C2CCOCC2)cs1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329172259 1027624381 /nfs/dbraw/zinc/62/43/81/1027624381.db2.gz AFBUBSUNXDCFGM-INIZCTEOSA-N 1 0 349.500 4.032 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428364216 1027709228 /nfs/dbraw/zinc/70/92/28/1027709228.db2.gz PCEVIHYKDNGEFP-KRWDZBQOSA-N 1 0 343.490 4.174 20 30 EIEDRO C=CCCC1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000474898678 1027763194 /nfs/dbraw/zinc/76/31/94/1027763194.db2.gz RBJZBPWAVOFDEA-GOSISDBHSA-N 1 0 340.511 4.424 20 30 EIEDRO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C12CCC[NH+]1CCC2 ZINC000328725245 1027790865 /nfs/dbraw/zinc/79/08/65/1027790865.db2.gz BHWGQLHTCVHTSR-UHFFFAOYSA-N 1 0 342.439 4.335 20 30 EIEDRO CC(C)c1cccc(NC(=[NH2+])NCCc2nc3c(s2)CCCC3)c1 ZINC000305687715 1027801906 /nfs/dbraw/zinc/80/19/06/1027801906.db2.gz ASMIVWLPONVXGW-UHFFFAOYSA-N 1 0 342.512 4.115 20 30 EIEDRO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc2c[nH+]cn2c1 ZINC000328831743 1027817160 /nfs/dbraw/zinc/81/71/60/1027817160.db2.gz VEFOZKBAZUGKKH-SFHVURJKSA-N 1 0 347.418 4.476 20 30 EIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(C)noc2C(C)C)C1 ZINC000330668032 1027873232 /nfs/dbraw/zinc/87/32/32/1027873232.db2.gz BWYAQVNZHPBWPJ-OAHLLOKOSA-N 1 0 335.492 4.312 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2CCCC(=O)N2)CC1 ZINC000329608015 1027879878 /nfs/dbraw/zinc/87/98/78/1027879878.db2.gz BLPPWLLIQDQEMS-CRAIPNDOSA-N 1 0 343.471 4.068 20 30 EIEDRO C[N@H+](CCOCC1CC1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444652326 1027921804 /nfs/dbraw/zinc/92/18/04/1027921804.db2.gz IZPCGBKSPBEYFB-UHFFFAOYSA-N 1 0 348.490 4.245 20 30 EIEDRO CC(C)[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000444686499 1027943837 /nfs/dbraw/zinc/94/38/37/1027943837.db2.gz CUBXNNSPSNWCFQ-IBGZPJMESA-N 1 0 330.472 4.465 20 30 EIEDRO C[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCOC1 ZINC000444671602 1027958902 /nfs/dbraw/zinc/95/89/02/1027958902.db2.gz CQUZRLLMYSGJOO-UXHICEINSA-N 1 0 348.490 4.291 20 30 EIEDRO CC(C)(O)C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 ZINC000444684916 1027966322 /nfs/dbraw/zinc/96/63/22/1027966322.db2.gz MHKWUSAJBCLCOI-UHFFFAOYSA-N 1 0 348.490 4.122 20 30 EIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000444689416 1027972945 /nfs/dbraw/zinc/97/29/45/1027972945.db2.gz NMWVTBFFAGAOHY-GFCCVEGCSA-N 1 0 344.425 4.433 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444728484 1028004290 /nfs/dbraw/zinc/00/42/90/1028004290.db2.gz GBKBSIIYIPBIMD-YLJYHZDGSA-N 1 0 325.452 4.243 20 30 EIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000522649420 1028078097 /nfs/dbraw/zinc/07/80/97/1028078097.db2.gz IPMHOKWRQLMHDO-KRWDZBQOSA-N 1 0 335.451 4.276 20 30 EIEDRO C=CC[C@H]1N(C(=O)NCc2cccc(C[NH+](C)C)c2)CCCC1(C)C ZINC000444858092 1028131922 /nfs/dbraw/zinc/13/19/22/1028131922.db2.gz WPLJFSSUUGHNHO-LJQANCHMSA-N 1 0 343.515 4.025 20 30 EIEDRO C=CCC[C@H](C(=O)NC1CC[NH+](CCCC)CC1)c1ccccc1 ZINC000189384980 1028134977 /nfs/dbraw/zinc/13/49/77/1028134977.db2.gz HBEHMKPDBRQITK-FQEVSTJZSA-N 1 0 328.500 4.117 20 30 EIEDRO O=C(CNC(=O)CC1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329948561 1028162630 /nfs/dbraw/zinc/16/26/30/1028162630.db2.gz ZEKUPGKIPNYWIH-UHFFFAOYSA-N 1 0 349.519 4.277 20 30 EIEDRO C=CCN1CCC([NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000443967114 1028164590 /nfs/dbraw/zinc/16/45/90/1028164590.db2.gz ZBDKLQMWEDIXIP-UHFFFAOYSA-N 1 0 340.442 4.358 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000475616704 1028176171 /nfs/dbraw/zinc/17/61/71/1028176171.db2.gz HDQRVBHBQRAUHY-LJQANCHMSA-N 1 0 336.483 4.217 20 30 EIEDRO Cc1cc(N2CCC[C@@H](NC(=O)c3cc4ccccc4o3)C2)cc[nH+]1 ZINC000330082725 1028201524 /nfs/dbraw/zinc/20/15/24/1028201524.db2.gz KMHPDDKLJHVEJF-MRXNPFEDSA-N 1 0 335.407 4.110 20 30 EIEDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000523556600 1028210297 /nfs/dbraw/zinc/21/02/97/1028210297.db2.gz DBPIYCAGFNEBTR-LJQANCHMSA-N 1 0 341.499 4.205 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)cc1 ZINC000657741550 1028217901 /nfs/dbraw/zinc/21/79/01/1028217901.db2.gz HFWMSNCQXGOOFH-LEWJYISDSA-N 1 0 325.452 4.099 20 30 EIEDRO CC[NH+](CC)CCN(Cc1cccs1)CC1CCC(C#N)CC1 ZINC001167658641 1028225411 /nfs/dbraw/zinc/22/54/11/1028225411.db2.gz JJZFTEBTDFJOOX-UHFFFAOYSA-N 1 0 333.545 4.222 20 30 EIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(F)cc1F ZINC000440631638 1028267696 /nfs/dbraw/zinc/26/76/96/1028267696.db2.gz ANVZUNZMSIQSQC-SFHVURJKSA-N 1 0 330.378 4.476 20 30 EIEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000330290735 1028270654 /nfs/dbraw/zinc/27/06/54/1028270654.db2.gz GBWMREVCFCMYCA-QGZVFWFLSA-N 1 0 343.471 4.056 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000280892182 1028273621 /nfs/dbraw/zinc/27/36/21/1028273621.db2.gz QFDGNDXNYWPRBD-WDMOLILDSA-N 1 0 330.291 4.142 20 30 EIEDRO C=CC[C@H]1N(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCCC1(C)C ZINC000445127627 1028317753 /nfs/dbraw/zinc/31/77/53/1028317753.db2.gz BPFSAPKVRBACCU-LJQANCHMSA-N 1 0 347.547 4.170 20 30 EIEDRO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1CO)c1ccc(C#N)cc1Cl ZINC000375736714 1028318069 /nfs/dbraw/zinc/31/80/69/1028318069.db2.gz RCOVOCORGNLLPX-GQWAEJPESA-N 1 0 340.854 4.158 20 30 EIEDRO CC[C@H]([NH2+]Cc1cc(OC)nc2ccccc12)c1ccc(C#N)cc1 ZINC000583243091 1028330172 /nfs/dbraw/zinc/33/01/72/1028330172.db2.gz CZLFGWOZERQWLN-IBGZPJMESA-N 1 0 331.419 4.356 20 30 EIEDRO Cc1ccc([C@@H]2CC[N@H+](CCCC3(C#N)CCOCC3)C2)c(C)c1 ZINC000281358285 1028558201 /nfs/dbraw/zinc/55/82/01/1028558201.db2.gz NPGVTLUYYXIRRI-LJQANCHMSA-N 1 0 326.484 4.193 20 30 EIEDRO N#Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Oc1ccccc1 ZINC000428405168 1028642529 /nfs/dbraw/zinc/64/25/29/1028642529.db2.gz DGQSKQWHFJQSEK-RBUKOAKNSA-N 1 0 333.435 4.389 20 30 EIEDRO CSc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000583472174 1028788546 /nfs/dbraw/zinc/78/85/46/1028788546.db2.gz UJPSXXPHDPRTMQ-UHFFFAOYSA-N 1 0 343.521 4.054 20 30 EIEDRO COc1cc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)ccc1C#N ZINC000281832306 1028884410 /nfs/dbraw/zinc/88/44/10/1028884410.db2.gz XVLRSSMWERWQEX-UHFFFAOYSA-N 1 0 338.451 4.172 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000278347244 1028955664 /nfs/dbraw/zinc/95/56/64/1028955664.db2.gz YLKQXHMZEBCGEF-KKSFZXQISA-N 1 0 347.462 4.487 20 30 EIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(N2CCCC2)c1 ZINC000281938428 1028980608 /nfs/dbraw/zinc/98/06/08/1028980608.db2.gz IPSCYLQZXRPHHC-GOSISDBHSA-N 1 0 341.499 4.038 20 30 EIEDRO C[C@H]1SCC[N@H+](CCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000522837411 1028986611 /nfs/dbraw/zinc/98/66/11/1028986611.db2.gz YQJPLBBJSGMYIR-OXQOHEQNSA-N 1 0 338.476 4.116 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2)c1cncc(F)c1 ZINC000329340628 1029038574 /nfs/dbraw/zinc/03/85/74/1029038574.db2.gz RRASNGSFOWUCMM-WSBVUWKFSA-N 1 0 345.462 4.185 20 30 EIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281991928 1029045598 /nfs/dbraw/zinc/04/55/98/1029045598.db2.gz MUNQSXVLNXDXBN-FQEVSTJZSA-N 1 0 328.500 4.349 20 30 EIEDRO C[C@@H]1CC(N(C)Cc2ccc(C#N)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053327 1029158554 /nfs/dbraw/zinc/15/85/54/1029158554.db2.gz NSVGKQCQMCINNC-RTBURBONSA-N 1 0 347.506 4.432 20 30 EIEDRO COc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)ccc1OC(F)F ZINC000130480671 1029189460 /nfs/dbraw/zinc/18/94/60/1029189460.db2.gz HZWQLOMRQBMTTQ-MRXNPFEDSA-N 1 0 346.377 4.431 20 30 EIEDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCCC[C@H]12 ZINC000524758844 1029209551 /nfs/dbraw/zinc/20/95/51/1029209551.db2.gz GYMTZRTWTYBBGX-ZTFGCOKTSA-N 1 0 336.439 4.009 20 30 EIEDRO CC[C@H](C)[N@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000524907151 1029323616 /nfs/dbraw/zinc/32/36/16/1029323616.db2.gz ACUTVUZYALPDJG-KRWDZBQOSA-N 1 0 338.451 4.246 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000052662220 1029331155 /nfs/dbraw/zinc/33/11/55/1029331155.db2.gz NTSLVOUBBFKAME-QFIPXVFZSA-N 1 0 328.415 4.446 20 30 EIEDRO Cc1ccnc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C#N ZINC000343482344 1029341367 /nfs/dbraw/zinc/34/13/67/1029341367.db2.gz WIECOMMXSJSGHY-INIZCTEOSA-N 1 0 334.467 4.106 20 30 EIEDRO C=CC[C@@H]1N(C(=O)c2cccc(Cn3ccnc3)c2)CCCC1(C)C ZINC000278493404 1029349178 /nfs/dbraw/zinc/34/91/78/1029349178.db2.gz WKGDCPFRXKINOS-IBGZPJMESA-N 1 0 337.467 4.138 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000926540385 1029412409 /nfs/dbraw/zinc/41/24/09/1029412409.db2.gz IHLAEZAQFHSONC-JKSUJKDBSA-N 1 0 337.508 4.084 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1Br ZINC000035256364 1029426827 /nfs/dbraw/zinc/42/68/27/1029426827.db2.gz CUWRYJNUWZYJDZ-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO CCCC[C@@H](CC)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278579704 1029535574 /nfs/dbraw/zinc/53/55/74/1029535574.db2.gz FOMUYDZPJXFPSG-QGZVFWFLSA-N 1 0 339.487 4.165 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)c1cccc(C#N)c1 ZINC000925185634 1029536867 /nfs/dbraw/zinc/53/68/67/1029536867.db2.gz NOBAKMYFIZFEHU-RYUDHWBXSA-N 1 0 330.229 4.128 20 30 EIEDRO COc1cc(C[NH2+]CC(C)(C)CCC#N)ccc1OC1CCCC1 ZINC000343583286 1029540091 /nfs/dbraw/zinc/54/00/91/1029540091.db2.gz YHFJHAUTLZUXGU-UHFFFAOYSA-N 1 0 330.472 4.436 20 30 EIEDRO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000278951782 1029594722 /nfs/dbraw/zinc/59/47/22/1029594722.db2.gz YUXGFTHOEAKLJP-ICSRJNTNSA-N 1 0 327.516 4.207 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000897267225 1029637057 /nfs/dbraw/zinc/63/70/57/1029637057.db2.gz CGWDVBNRHBHFOC-HXUWFJFHSA-N 1 0 342.483 4.008 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@@H](C)c2cccc(C)c2)cc(OC)c1O ZINC000525459971 1029643410 /nfs/dbraw/zinc/64/34/10/1029643410.db2.gz FRFHWVFGMCZTCR-MRXNPFEDSA-N 1 0 325.452 4.331 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000049596040 1029654614 /nfs/dbraw/zinc/65/46/14/1029654614.db2.gz JRDWGLNUVBOMSV-ZDUSSCGKSA-N 1 0 345.240 4.050 20 30 EIEDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000193009155 1029657177 /nfs/dbraw/zinc/65/71/77/1029657177.db2.gz KSAZOUFRYCEAAT-KBPBESRZSA-N 1 0 328.387 4.148 20 30 EIEDRO N#Cc1ccc(CN2CC[C@H](CC(F)(F)F)C2)c(Br)c1 ZINC000278677663 1029676593 /nfs/dbraw/zinc/67/65/93/1029676593.db2.gz IPQQRMYOQAQSBG-LLVKDONJSA-N 1 0 347.178 4.095 20 30 EIEDRO CC[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(C#N)cc1 ZINC000278704956 1029710490 /nfs/dbraw/zinc/71/04/90/1029710490.db2.gz LEOBYYQUTXAIRP-KRWDZBQOSA-N 1 0 348.475 4.360 20 30 EIEDRO C=CC[NH+]1CCC(Nc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000301382747 1029722310 /nfs/dbraw/zinc/72/23/10/1029722310.db2.gz AXWKJFNPJGKXER-UHFFFAOYSA-N 1 0 341.402 4.377 20 30 EIEDRO CC(C)(C#N)c1ccccc1CN1CCO[C@H](c2ccsc2)C1 ZINC000135286710 1029724329 /nfs/dbraw/zinc/72/43/29/1029724329.db2.gz DAIQJRSYXUTJSU-SFHVURJKSA-N 1 0 326.465 4.123 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248626241 1029729985 /nfs/dbraw/zinc/72/99/85/1029729985.db2.gz OCDPIWFCCXTALR-JBACZVJFSA-N 1 0 340.511 4.102 20 30 EIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccc2ccccc21 ZINC000053017079 1029799997 /nfs/dbraw/zinc/79/99/97/1029799997.db2.gz VXZJGBGYSKIFBM-INIZCTEOSA-N 1 0 343.430 4.170 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000136725403 1029842398 /nfs/dbraw/zinc/84/23/98/1029842398.db2.gz JCVFZLLEDRRVRE-IBGZPJMESA-N 1 0 341.499 4.008 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000091598589 1029888401 /nfs/dbraw/zinc/88/84/01/1029888401.db2.gz NDFPEJCBZWZLSG-CQSZACIVSA-N 1 0 335.879 4.130 20 30 EIEDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1nc(-c2ccccc2)no1 ZINC000182086181 1029915205 /nfs/dbraw/zinc/91/52/05/1029915205.db2.gz MQGKRPHDPNSWDT-GJZGRUSLSA-N 1 0 332.407 4.063 20 30 EIEDRO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)CC1CCC(C#N)CC1 ZINC001168124326 1029939785 /nfs/dbraw/zinc/93/97/85/1029939785.db2.gz DUCFCNGOZBWKTC-UHFFFAOYSA-N 1 0 326.362 4.347 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184536469 1030075479 /nfs/dbraw/zinc/07/54/79/1030075479.db2.gz JXXPCYGDTFQWQB-UYAOXDASSA-N 1 0 332.463 4.344 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1 ZINC000447517365 1030113884 /nfs/dbraw/zinc/11/38/84/1030113884.db2.gz SATIVMKNCFSWEE-VQTJNVASSA-N 1 0 337.467 4.419 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447521073 1030116800 /nfs/dbraw/zinc/11/68/00/1030116800.db2.gz VNGCIVCIUYJWEF-VXKWHMMOSA-N 1 0 333.479 4.436 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447525618 1030120793 /nfs/dbraw/zinc/12/07/93/1030120793.db2.gz AEPWZDCNOWPRDB-PGRDOPGGSA-N 1 0 349.478 4.134 20 30 EIEDRO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000450956446 1030132814 /nfs/dbraw/zinc/13/28/14/1030132814.db2.gz IESYAXFUFDGJLN-WDSOQIARSA-N 1 0 332.875 4.117 20 30 EIEDRO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000450958356 1030133701 /nfs/dbraw/zinc/13/37/01/1030133701.db2.gz MYYGVAFEHCPPSO-QYZOEREBSA-N 1 0 332.875 4.117 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)COc1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000447531063 1030136416 /nfs/dbraw/zinc/13/64/16/1030136416.db2.gz OIHGNLFIEBYJQO-SCLBCKFNSA-N 1 0 330.378 4.345 20 30 EIEDRO CC[C@H]([NH2+]CCCOCc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447532761 1030136855 /nfs/dbraw/zinc/13/68/55/1030136855.db2.gz VNXGWXOTCLQVAQ-NRFANRHFSA-N 1 0 338.451 4.214 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)C1 ZINC000447536787 1030142863 /nfs/dbraw/zinc/14/28/63/1030142863.db2.gz PYLVPEYQNQMERW-ZBFHGGJFSA-N 1 0 325.387 4.185 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000447544757 1030148847 /nfs/dbraw/zinc/14/88/47/1030148847.db2.gz POZDFVMLSUNXIF-VGOFRKELSA-N 1 0 333.479 4.046 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c(F)c1 ZINC000179109740 1030153866 /nfs/dbraw/zinc/15/38/66/1030153866.db2.gz MKFBEIGDMOMWET-FQEVSTJZSA-N 1 0 336.410 4.190 20 30 EIEDRO Fc1ccccc1CC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000681111565 1030154789 /nfs/dbraw/zinc/15/47/89/1030154789.db2.gz KNQPZADIMXFCOM-PHIMTYICSA-N 1 0 329.259 4.041 20 30 EIEDRO CC[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 ZINC000447586364 1030188646 /nfs/dbraw/zinc/18/86/46/1030188646.db2.gz NDHQOZNPZWTBTJ-INIZCTEOSA-N 1 0 349.356 4.092 20 30 EIEDRO Cc1cccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)n1 ZINC000237640433 1030192085 /nfs/dbraw/zinc/19/20/85/1030192085.db2.gz CGJAMRXORHBKJJ-UHFFFAOYSA-N 1 0 343.430 4.131 20 30 EIEDRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000127494766 1030192296 /nfs/dbraw/zinc/19/22/96/1030192296.db2.gz XPOBRGFPNPQNKQ-SJORKVTESA-N 1 0 335.451 4.161 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000447595889 1030200563 /nfs/dbraw/zinc/20/05/63/1030200563.db2.gz AYMZFALKDXOHLL-BULFRSBZSA-N 1 0 333.479 4.119 20 30 EIEDRO CC[C@H](Nc1ccccc1N1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000447602901 1030224731 /nfs/dbraw/zinc/22/47/31/1030224731.db2.gz WDDWALFLIFAFLJ-FQEVSTJZSA-N 1 0 348.494 4.263 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N(C)C[C@H]3CCC[N@H+](C)C3)c2c1 ZINC000447680554 1030269536 /nfs/dbraw/zinc/26/95/36/1030269536.db2.gz RHQCBJZMAOJPNU-INIZCTEOSA-N 1 0 336.483 4.008 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186696448 1030302859 /nfs/dbraw/zinc/30/28/59/1030302859.db2.gz QFAUCWZWAVFLAG-QFIPXVFZSA-N 1 0 332.447 4.119 20 30 EIEDRO C=CCCC[NH2+][C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000447795505 1030328985 /nfs/dbraw/zinc/32/89/85/1030328985.db2.gz ONJLUUQTIBDLLL-HXUWFJFHSA-N 1 0 338.451 4.321 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000657891359 1030333017 /nfs/dbraw/zinc/33/30/17/1030333017.db2.gz WVEOIXHAYMDXCD-PZJWPPBQSA-N 1 0 340.511 4.263 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000526944619 1030339673 /nfs/dbraw/zinc/33/96/73/1030339673.db2.gz GOSJLLZUFKZPDM-GJZGRUSLSA-N 1 0 330.497 4.365 20 30 EIEDRO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000187895824 1030375782 /nfs/dbraw/zinc/37/57/82/1030375782.db2.gz GXTSLOGGNGYBHX-ICSRJNTNSA-N 1 0 340.511 4.244 20 30 EIEDRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000127517257 1030386205 /nfs/dbraw/zinc/38/62/05/1030386205.db2.gz PQESQQWBNMELEY-JKSUJKDBSA-N 1 0 335.451 4.359 20 30 EIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451457479 1030511833 /nfs/dbraw/zinc/51/18/33/1030511833.db2.gz DHNUEBPAQJBFDK-HXUWFJFHSA-N 1 0 346.434 4.041 20 30 EIEDRO CCc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000527239750 1030572985 /nfs/dbraw/zinc/57/29/85/1030572985.db2.gz FWTHFFSTFFAQLA-UHFFFAOYSA-N 1 0 326.465 4.226 20 30 EIEDRO COc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3ccccc3Cl)C2)cc1 ZINC000263134987 1030586970 /nfs/dbraw/zinc/58/69/70/1030586970.db2.gz NNRBUBJGMIKIGB-MQMHXKEQSA-N 1 0 329.831 4.021 20 30 EIEDRO Clc1cccc(C#CC[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000448145235 1030589607 /nfs/dbraw/zinc/58/96/07/1030589607.db2.gz BPSFLDLTEXNWCZ-UHFFFAOYSA-N 1 0 339.866 4.373 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)cc1OC ZINC000897419823 1030613731 /nfs/dbraw/zinc/61/37/31/1030613731.db2.gz VCOMPRBCTVCBKR-OAHLLOKOSA-N 1 0 339.435 4.046 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530668527 1030624142 /nfs/dbraw/zinc/62/41/42/1030624142.db2.gz HCRXXGPVPNPFSU-QGZVFWFLSA-N 1 0 347.462 4.114 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)s1 ZINC000527349953 1030640048 /nfs/dbraw/zinc/64/00/48/1030640048.db2.gz QVUPEZATDKPZGE-OOHWJJMZSA-N 1 0 341.480 4.364 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000127559190 1030724011 /nfs/dbraw/zinc/72/40/11/1030724011.db2.gz NJSCSOKQEACKGC-KGLIPLIRSA-N 1 0 341.842 4.198 20 30 EIEDRO CC[N@H+](Cc1ccnn1-c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000448334634 1030744794 /nfs/dbraw/zinc/74/47/94/1030744794.db2.gz JLVBBKFHEDKICP-KRWDZBQOSA-N 1 0 330.435 4.327 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000888120995 1030767968 /nfs/dbraw/zinc/76/79/68/1030767968.db2.gz FVSTUPOEHDYQCL-UHFFFAOYSA-N 1 0 341.499 4.287 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(OCc2cccnc2)cc1 ZINC000530879525 1030780933 /nfs/dbraw/zinc/78/09/33/1030780933.db2.gz XJBZDABXJYKSGA-OAHLLOKOSA-N 1 0 349.459 4.445 20 30 EIEDRO Clc1cccc(C#CC[NH2+]C2(Cc3ccccc3)CCOCC2)c1 ZINC000451942150 1030788655 /nfs/dbraw/zinc/78/86/55/1030788655.db2.gz RAPLVZGVXGYENY-UHFFFAOYSA-N 1 0 339.866 4.073 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc(C(F)(F)F)c1 ZINC000527634904 1030789468 /nfs/dbraw/zinc/78/94/68/1030789468.db2.gz KHUGOPKWAUIUKX-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451946321 1030804192 /nfs/dbraw/zinc/80/41/92/1030804192.db2.gz ZNSJGNIEEDLZIT-UHFFFAOYSA-N 1 0 340.854 4.093 20 30 EIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168180297 1030807943 /nfs/dbraw/zinc/80/79/43/1030807943.db2.gz QIZUTNMVSBHBHY-FFZOFVMBSA-N 1 0 349.902 4.097 20 30 EIEDRO CCS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000176983716 1030829936 /nfs/dbraw/zinc/82/99/36/1030829936.db2.gz IYEDGXMAIMWOAS-IEBWSBKVSA-N 1 0 331.529 4.190 20 30 EIEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000612065134 1030844071 /nfs/dbraw/zinc/84/40/71/1030844071.db2.gz HKDISAWOLXLFLT-VXKWHMMOSA-N 1 0 334.463 4.352 20 30 EIEDRO Cc1c(Cl)cnc(N2CCC(C[NH+]3CCCCCC3)CC2)c1C#N ZINC000612070367 1030845409 /nfs/dbraw/zinc/84/54/09/1030845409.db2.gz AGGSTVXAEIIDGQ-UHFFFAOYSA-N 1 0 346.906 4.008 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1OC1CCCC1 ZINC000103172707 1030856967 /nfs/dbraw/zinc/85/69/67/1030856967.db2.gz DSTMCUMGCRTLOE-UHFFFAOYSA-N 1 0 336.435 4.178 20 30 EIEDRO C/C(=C/c1ccccc1)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000527811805 1030857152 /nfs/dbraw/zinc/85/71/52/1030857152.db2.gz NUBMMDLZWLQCJA-SDXDJHTJSA-N 1 0 332.447 4.257 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cnn(CC3CCC3)c2)CC1 ZINC000897432997 1030865994 /nfs/dbraw/zinc/86/59/94/1030865994.db2.gz PDCZKCFHQIPGHR-UHFFFAOYSA-N 1 0 348.494 4.177 20 30 EIEDRO C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccc(C#N)c(F)c1 ZINC000527941616 1030957332 /nfs/dbraw/zinc/95/73/32/1030957332.db2.gz GXSRNBZPTFYACD-RONXPYQUSA-N 1 0 326.802 4.340 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c(OC)c1 ZINC000527973540 1030984416 /nfs/dbraw/zinc/98/44/16/1030984416.db2.gz IRAVVYHIEUBGID-STQMWFEESA-N 1 0 328.387 4.126 20 30 EIEDRO C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)C#N ZINC000310043393 1030994467 /nfs/dbraw/zinc/99/44/67/1030994467.db2.gz GAKITVGDYHXVHE-HZPDHXFCSA-N 1 0 337.508 4.084 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCC1(C#N)CCCCC1 ZINC001168194003 1031033883 /nfs/dbraw/zinc/03/38/83/1031033883.db2.gz XFDJFFGAPFLYRB-PMACEKPBSA-N 1 0 339.527 4.445 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cnn(Cc2ccccc2)c1 ZINC000610830103 1031034395 /nfs/dbraw/zinc/03/43/95/1031034395.db2.gz DKSYKYNSJNXASQ-IRXDYDNUSA-N 1 0 330.435 4.215 20 30 EIEDRO COc1ccc([C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000528044577 1031079171 /nfs/dbraw/zinc/07/91/71/1031079171.db2.gz XWNGNULLCIOZHH-IFMALSPDSA-N 1 0 347.462 4.470 20 30 EIEDRO CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463187 1031079907 /nfs/dbraw/zinc/07/99/07/1031079907.db2.gz TZQLAXMLILAXHI-KRWDZBQOSA-N 1 0 345.450 4.031 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000532504801 1031226723 /nfs/dbraw/zinc/22/67/23/1031226723.db2.gz ZZIAKXJEQUNSSM-LJQANCHMSA-N 1 0 325.477 4.372 20 30 EIEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCCCC2)c1 ZINC001168208240 1031277422 /nfs/dbraw/zinc/27/74/22/1031277422.db2.gz LMIVXIGKYMLWGB-QFIPXVFZSA-N 1 0 347.462 4.408 20 30 EIEDRO N#Cc1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)C2CCCCC2)c1 ZINC001168208239 1031278715 /nfs/dbraw/zinc/27/87/15/1031278715.db2.gz LMIVXIGKYMLWGB-JOCHJYFZSA-N 1 0 347.462 4.408 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000531563154 1031380176 /nfs/dbraw/zinc/38/01/76/1031380176.db2.gz VRHIQUJYEIHBSG-CMKODMSKSA-N 1 0 341.499 4.107 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccnc1C(F)(F)F ZINC000528362292 1031437437 /nfs/dbraw/zinc/43/74/37/1031437437.db2.gz CXLSRJGQJCCJBV-UHFFFAOYSA-N 1 0 333.357 4.383 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)c(C(F)(F)F)c1 ZINC000449112371 1031473190 /nfs/dbraw/zinc/47/31/90/1031473190.db2.gz QYHMAKLNZBIMAS-UHFFFAOYSA-N 1 0 326.362 4.276 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1F ZINC000531715873 1031505231 /nfs/dbraw/zinc/50/52/31/1031505231.db2.gz QEYJXMJWKKNSCW-ZBFHGGJFSA-N 1 0 341.405 4.156 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000365159823 1031525872 /nfs/dbraw/zinc/52/58/72/1031525872.db2.gz MADFXBSUKWBTAK-UHFFFAOYSA-N 1 0 342.446 4.259 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000449214049 1031541636 /nfs/dbraw/zinc/54/16/36/1031541636.db2.gz LKAOHEUTQCUTIU-TXKKKEFDSA-N 1 0 335.854 4.120 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccccc1Br)c1ccc(C#N)cc1 ZINC000548936624 1031604810 /nfs/dbraw/zinc/60/48/10/1031604810.db2.gz IPKYDFZSKWRGRJ-ZDUSSCGKSA-N 1 0 345.240 4.050 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000449308443 1031613330 /nfs/dbraw/zinc/61/33/30/1031613330.db2.gz XHDGORFLRUGYDU-YAJUMTOWSA-N 1 0 349.272 4.335 20 30 EIEDRO CC[N@H+](CCCC(C)(C)C#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472441482 1031656028 /nfs/dbraw/zinc/65/60/28/1031656028.db2.gz YATGGJRRKJELMD-ICSRJNTNSA-N 1 0 327.516 4.474 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]Cc1c(Br)cncc1Br ZINC000449392403 1031682427 /nfs/dbraw/zinc/68/24/27/1031682427.db2.gz IOVOWIUPCVBFLF-SECBINFHSA-N 1 0 348.082 4.051 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000449445605 1031739122 /nfs/dbraw/zinc/73/91/22/1031739122.db2.gz KJRWGYSEDBTJEU-WBAXXEDZSA-N 1 0 348.874 4.070 20 30 EIEDRO Cc1nc(COc2ccc(C[NH2+][C@H]3CC[C@@H](CC#N)C3)cc2)cs1 ZINC000449446017 1031741208 /nfs/dbraw/zinc/74/12/08/1031741208.db2.gz NTDJKVSLDRIDKI-RDJZCZTQSA-N 1 0 341.480 4.203 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCC2(F)F)ccc1OC ZINC000449489935 1031799691 /nfs/dbraw/zinc/79/96/91/1031799691.db2.gz BGRDBYDFADXTMS-HNNXBMFYSA-N 1 0 325.399 4.175 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCCC2(F)F)ccc1OC ZINC000449489936 1031800117 /nfs/dbraw/zinc/80/01/17/1031800117.db2.gz BGRDBYDFADXTMS-OAHLLOKOSA-N 1 0 325.399 4.175 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000453285660 1031807172 /nfs/dbraw/zinc/80/71/72/1031807172.db2.gz CITNQQMEXCSORB-IYJAJMOOSA-N 1 0 327.378 4.121 20 30 EIEDRO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CC2 ZINC000453289036 1031810842 /nfs/dbraw/zinc/81/08/42/1031810842.db2.gz HPVCMHGZUCKJKP-RCBQFDQVSA-N 1 0 333.273 4.417 20 30 EIEDRO COC[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000453311355 1031834605 /nfs/dbraw/zinc/83/46/05/1031834605.db2.gz CCCQYRLBVJBYEE-KDOFPFPSSA-N 1 0 328.843 4.292 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C3CCc4ccccc4CC3)CC2)cc1 ZINC000449582948 1031860931 /nfs/dbraw/zinc/86/09/31/1031860931.db2.gz AXHYFLPVSRDEQN-UHFFFAOYSA-N 1 0 345.490 4.064 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000453344792 1031870110 /nfs/dbraw/zinc/87/01/10/1031870110.db2.gz JQBSFYOZGZWRAQ-OLMNPRSZSA-N 1 0 342.508 4.427 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000449624633 1031885890 /nfs/dbraw/zinc/88/58/90/1031885890.db2.gz NOYRPCBVFAHGQQ-FUHWJXTLSA-N 1 0 329.465 4.323 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCCO2)c2ccc(F)cc2)cc1F ZINC000453359562 1031889454 /nfs/dbraw/zinc/88/94/54/1031889454.db2.gz ALZHAANGEMKLBY-ICSRJNTNSA-N 1 0 342.389 4.236 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCOCC2CCCC2)CC1 ZINC000453407831 1031942015 /nfs/dbraw/zinc/94/20/15/1031942015.db2.gz VFESGRFBFANNJN-UHFFFAOYSA-N 1 0 326.484 4.187 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000449731317 1031958672 /nfs/dbraw/zinc/95/86/72/1031958672.db2.gz HYBNQGLKWOQKFT-INIZCTEOSA-N 1 0 340.414 4.296 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c(C(F)(F)F)c1 ZINC000449731318 1031959036 /nfs/dbraw/zinc/95/90/36/1031959036.db2.gz HYBNQGLKWOQKFT-MRXNPFEDSA-N 1 0 340.414 4.296 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000135165813 1032024644 /nfs/dbraw/zinc/02/46/44/1032024644.db2.gz PYARABRYPLZQPG-INIZCTEOSA-N 1 0 325.481 4.324 20 30 EIEDRO CC(C)Oc1ccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000573475069 1033366373 /nfs/dbraw/zinc/36/63/73/1033366373.db2.gz NDJCYVYQBILNTF-OAHLLOKOSA-N 1 0 326.415 4.378 20 30 EIEDRO C=CCCC(C)(C)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000663870953 1033478457 /nfs/dbraw/zinc/47/84/57/1033478457.db2.gz NBNZBPUTRRPFMW-UHFFFAOYSA-N 1 0 349.544 4.004 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1C ZINC000512605039 1033489728 /nfs/dbraw/zinc/48/97/28/1033489728.db2.gz UXSIRIQTLZDBBU-UHFFFAOYSA-N 1 0 347.462 4.026 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610987 1033492955 /nfs/dbraw/zinc/49/29/55/1033492955.db2.gz GTRNTNYNRQBQOR-LSDHHAIUSA-N 1 0 326.415 4.235 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610984 1033493535 /nfs/dbraw/zinc/49/35/35/1033493535.db2.gz GTRNTNYNRQBQOR-CABCVRRESA-N 1 0 326.415 4.235 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512613562 1033495111 /nfs/dbraw/zinc/49/51/11/1033495111.db2.gz SIXMWOHCAGRIFC-QUJCMNEKSA-N 1 0 330.378 4.263 20 30 EIEDRO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159909 1033528781 /nfs/dbraw/zinc/52/87/81/1033528781.db2.gz AMCKHNADNFNHCX-UHFFFAOYSA-N 1 0 344.462 4.305 20 30 EIEDRO Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159686 1033528964 /nfs/dbraw/zinc/52/89/64/1033528964.db2.gz PFYIKEXJIJKIEO-UHFFFAOYSA-N 1 0 349.478 4.175 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1F ZINC000512641578 1033590856 /nfs/dbraw/zinc/59/08/56/1033590856.db2.gz IMGMMHQICWOUGQ-CYBMUJFWSA-N 1 0 340.398 4.054 20 30 EIEDRO COc1cccc(F)c1[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614179229 1033591740 /nfs/dbraw/zinc/59/17/40/1033591740.db2.gz LJIXXKXPWMSZLV-AWEZNQCLSA-N 1 0 326.415 4.486 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1F ZINC000512642651 1033597585 /nfs/dbraw/zinc/59/75/85/1033597585.db2.gz RHHPJUJRBAXNGX-BFUOFWGJSA-N 1 0 345.849 4.304 20 30 EIEDRO Cc1cnc([C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C2CC2)s1 ZINC000614184852 1033637649 /nfs/dbraw/zinc/63/76/49/1033637649.db2.gz AKWWUJZQHKMNTB-QGZVFWFLSA-N 1 0 325.481 4.494 20 30 EIEDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1F ZINC000512659389 1033647037 /nfs/dbraw/zinc/64/70/37/1033647037.db2.gz GKDDZQITHLQUGG-CQSZACIVSA-N 1 0 341.386 4.279 20 30 EIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000512666764 1033665168 /nfs/dbraw/zinc/66/51/68/1033665168.db2.gz MBZCKAJBLFIYFC-XJKSGUPXSA-N 1 0 330.378 4.345 20 30 EIEDRO COc1cc(CCC2CC[NH+]([C@@H](C)CCC#N)CC2)cc(OC)c1 ZINC000411143830 1033690069 /nfs/dbraw/zinc/69/00/69/1033690069.db2.gz NQXZWOYCCWRORV-INIZCTEOSA-N 1 0 330.472 4.041 20 30 EIEDRO N#CCCN(Cc1ccco1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411309875 1033829286 /nfs/dbraw/zinc/82/92/86/1033829286.db2.gz SRHNABXFKFCEPP-UHFFFAOYSA-N 1 0 337.467 4.181 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000433192948 1034019312 /nfs/dbraw/zinc/01/93/12/1034019312.db2.gz IIYBJKDXQLVEJP-HXUWFJFHSA-N 1 0 336.479 4.258 20 30 EIEDRO C=CCOc1ccc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1 ZINC000433194868 1034020258 /nfs/dbraw/zinc/02/02/58/1034020258.db2.gz ZLWDBZDORBTNFY-FQEVSTJZSA-N 1 0 338.451 4.249 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C#N)CCc2ccccc2)c1 ZINC000433236249 1034086084 /nfs/dbraw/zinc/08/60/84/1034086084.db2.gz XZLYVNBRIGBJEX-FQEVSTJZSA-N 1 0 349.478 4.239 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000512913804 1034186781 /nfs/dbraw/zinc/18/67/81/1034186781.db2.gz UIXLYLOCSIOKGI-MSOLQXFVSA-N 1 0 347.384 4.341 20 30 EIEDRO COC1(C(F)(F)F)CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000419358479 1034463374 /nfs/dbraw/zinc/46/33/74/1034463374.db2.gz VDMUJCVUDVGQMO-UHFFFAOYSA-N 1 0 340.389 4.031 20 30 EIEDRO N#CCCCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000279966037 1034524212 /nfs/dbraw/zinc/52/42/12/1034524212.db2.gz CPCNTXQDUKIKAW-OAHLLOKOSA-N 1 0 325.225 4.323 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2C)ccc1OC(F)F ZINC000614396006 1034533276 /nfs/dbraw/zinc/53/32/76/1034533276.db2.gz NOTRSDADRRFSOH-UHFFFAOYSA-N 1 0 346.377 4.109 20 30 EIEDRO C=CCCC(C)(C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000664149845 1034540334 /nfs/dbraw/zinc/54/03/34/1034540334.db2.gz ZCOXUBJQYZPMOG-KRWDZBQOSA-N 1 0 343.515 4.256 20 30 EIEDRO Cc1cc(C#N)ccc1CN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000614403690 1034549136 /nfs/dbraw/zinc/54/91/36/1034549136.db2.gz PUMNFOALVJHPSH-HXUWFJFHSA-N 1 0 330.435 4.091 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(C#N)cc1 ZINC000500975573 1034645561 /nfs/dbraw/zinc/64/55/61/1034645561.db2.gz GSVAALBWVYKOBY-OAHLLOKOSA-N 1 0 336.435 4.364 20 30 EIEDRO COCCCC[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000419390372 1034670960 /nfs/dbraw/zinc/67/09/60/1034670960.db2.gz PTFBXQNDRKSPAH-UHFFFAOYSA-N 1 0 336.479 4.245 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000513215545 1034837931 /nfs/dbraw/zinc/83/79/31/1034837931.db2.gz ORISOIMEDSDWSW-KGLIPLIRSA-N 1 0 342.405 4.169 20 30 EIEDRO COc1ccc(C#N)cc1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513354035 1034889383 /nfs/dbraw/zinc/88/93/83/1034889383.db2.gz YHKBTCHIOOGMQD-LPHOPBHVSA-N 1 0 335.451 4.032 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1cccc(Cl)c1 ZINC000182592353 1034970347 /nfs/dbraw/zinc/97/03/47/1034970347.db2.gz GNEYEOIXQYPXKB-INIZCTEOSA-N 1 0 345.830 4.101 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccco1 ZINC000513662685 1035097312 /nfs/dbraw/zinc/09/73/12/1035097312.db2.gz YRIDDMWZWTVOPR-ZBFHGGJFSA-N 1 0 331.847 4.204 20 30 EIEDRO CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000501106258 1035378502 /nfs/dbraw/zinc/37/85/02/1035378502.db2.gz OCCOSOBQVBUBTO-KRWDZBQOSA-N 1 0 347.890 4.097 20 30 EIEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2cnccc21 ZINC000183214419 1035381428 /nfs/dbraw/zinc/38/14/28/1035381428.db2.gz AHMRLMDJPUHDPS-UHFFFAOYSA-N 1 0 333.391 4.331 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000501211171 1035399818 /nfs/dbraw/zinc/39/98/18/1035399818.db2.gz QMTDVWWKTGMKRV-KRWDZBQOSA-N 1 0 338.476 4.181 20 30 EIEDRO CSc1ccccc1[C@@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC000501493167 1035457607 /nfs/dbraw/zinc/45/76/07/1035457607.db2.gz ZZZSVLRACNIEKH-OAHLLOKOSA-N 1 0 326.465 4.400 20 30 EIEDRO N#CCCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC1CC1 ZINC000513717809 1035486888 /nfs/dbraw/zinc/48/68/88/1035486888.db2.gz RZBRNFQSMZKIDA-UHFFFAOYSA-N 1 0 341.436 4.449 20 30 EIEDRO C[C@@H]1C[C@H](NCC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000594980941 1035512914 /nfs/dbraw/zinc/51/29/14/1035512914.db2.gz DLHUPDWPKPUONU-UYAOXDASSA-N 1 0 325.500 4.103 20 30 EIEDRO N#Cc1cccc(C2([NH2+]C/C=C\c3ccc(F)cc3)CCOCC2)c1 ZINC000594983227 1035516108 /nfs/dbraw/zinc/51/61/08/1035516108.db2.gz IPUGJIOEJXKZRV-RQOWECAXSA-N 1 0 336.410 4.006 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595057870 1035534364 /nfs/dbraw/zinc/53/43/64/1035534364.db2.gz YECBJHHRSQVNEY-KRWDZBQOSA-N 1 0 349.478 4.231 20 30 EIEDRO C=CCCSCC[NH2+][C@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000595060582 1035539492 /nfs/dbraw/zinc/53/94/92/1035539492.db2.gz VZJJCPHXLALQLM-ROUUACIJSA-N 1 0 333.497 4.067 20 30 EIEDRO C[C@@H](O)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000595104255 1035589204 /nfs/dbraw/zinc/58/92/04/1035589204.db2.gz RKKTXAHXFUBCAQ-KBCPNONKSA-N 1 0 334.463 4.102 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000595076092 1035592181 /nfs/dbraw/zinc/59/21/81/1035592181.db2.gz DPUHUJBHLXYLBA-GDBMZVCRSA-N 1 0 333.273 4.054 20 30 EIEDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1(C#N)CCCCC1)CC3 ZINC000595092129 1035601115 /nfs/dbraw/zinc/60/11/15/1035601115.db2.gz XLNDTULKNIOYOC-OAHLLOKOSA-N 1 0 337.467 4.097 20 30 EIEDRO N#CC1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000595090147 1035601932 /nfs/dbraw/zinc/60/19/32/1035601932.db2.gz DHKPGBULBQTLBG-QFBILLFUSA-N 1 0 330.447 4.357 20 30 EIEDRO CC[C@H](c1ccccc1)[N@@H+](Cc1cnc2c(C#N)cnn2c1)CC(C)C ZINC000575060254 1035663101 /nfs/dbraw/zinc/66/31/01/1035663101.db2.gz ADPRSJVOIYJPDI-HXUWFJFHSA-N 1 0 347.466 4.210 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000593011871 1035678407 /nfs/dbraw/zinc/67/84/07/1035678407.db2.gz MVMBKQYUHLDXNK-HNNXBMFYSA-N 1 0 341.798 4.109 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CC2CCCCC2)c1C ZINC000501876456 1035718454 /nfs/dbraw/zinc/71/84/54/1035718454.db2.gz MUUWFYXLTVJMEO-UHFFFAOYSA-N 1 0 341.499 4.062 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc(C#N)s1 ZINC000183359428 1035737835 /nfs/dbraw/zinc/73/78/35/1035737835.db2.gz QNNKHOMPGJPFHB-QWHCGFSZSA-N 1 0 338.436 4.124 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595613295 1035753261 /nfs/dbraw/zinc/75/32/61/1035753261.db2.gz ACFHCQPPTSGEFS-CQSZACIVSA-N 1 0 326.362 4.100 20 30 EIEDRO CSc1ccccc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595765276 1035779322 /nfs/dbraw/zinc/77/93/22/1035779322.db2.gz QBUNMHWWPULCMV-UHFFFAOYSA-N 1 0 338.476 4.076 20 30 EIEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000586793846 1035849400 /nfs/dbraw/zinc/84/94/00/1035849400.db2.gz HUOUSYOXUAQMLL-RNODOKPDSA-N 1 0 326.390 4.435 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000485453025 1035883508 /nfs/dbraw/zinc/88/35/08/1035883508.db2.gz IOKVPSAYQRLVBX-QGZVFWFLSA-N 1 0 346.540 4.349 20 30 EIEDRO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593184097 1035894600 /nfs/dbraw/zinc/89/46/00/1035894600.db2.gz VJAAFZKXVWMVRT-GOSISDBHSA-N 1 0 333.479 4.182 20 30 EIEDRO CC[C@@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502177389 1035895371 /nfs/dbraw/zinc/89/53/71/1035895371.db2.gz QOMQQJQVJBLQON-NRFANRHFSA-N 1 0 347.462 4.360 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(COc3ccccc3)c2)cc1 ZINC000055172210 1035897647 /nfs/dbraw/zinc/89/76/47/1035897647.db2.gz KWHHCMPRAKFSRR-UHFFFAOYSA-N 1 0 328.415 4.427 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000485463579 1035898224 /nfs/dbraw/zinc/89/82/24/1035898224.db2.gz FOVGEWJTKZGBAA-UHFFFAOYSA-N 1 0 346.540 4.351 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)ccc1OC ZINC000237149556 1035903381 /nfs/dbraw/zinc/90/33/81/1035903381.db2.gz GXNFFMVFERYMEM-IAGOWNOFSA-N 1 0 335.513 4.414 20 30 EIEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)c(-c2ccccc2)n1 ZINC000414487422 1035936017 /nfs/dbraw/zinc/93/60/17/1035936017.db2.gz SDBVHLJUJXQAPW-TZIWHRDSSA-N 1 0 348.494 4.380 20 30 EIEDRO CC(C)(C)c1ccncc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000414492447 1036001986 /nfs/dbraw/zinc/00/19/86/1036001986.db2.gz AKSHBSKXMCWOJZ-UHFFFAOYSA-N 1 0 337.467 4.351 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@H](Nc4ccccc4)C3)cc2)CC1 ZINC000597013667 1036069614 /nfs/dbraw/zinc/06/96/14/1036069614.db2.gz LGTSZNAEQMKPTA-NRFANRHFSA-N 1 0 331.463 4.318 20 30 EIEDRO C[N@@H+]1CCC[C@H](CNc2ccc(Cl)c(C#N)n2)[C@@H]1c1cccs1 ZINC000078338181 1036071550 /nfs/dbraw/zinc/07/15/50/1036071550.db2.gz BKDXCVPGLWLSCE-SJKOYZFVSA-N 1 0 346.887 4.163 20 30 EIEDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)cc1 ZINC000596993619 1036073128 /nfs/dbraw/zinc/07/31/28/1036073128.db2.gz SEZGCLCNDZYLQC-LJQANCHMSA-N 1 0 332.447 4.240 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CCCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000597000428 1036078337 /nfs/dbraw/zinc/07/83/37/1036078337.db2.gz ZRWSDSKPKHNTMZ-OAQYLSRUSA-N 1 0 332.447 4.205 20 30 EIEDRO Cn1cc(C[NH2+]CC2(C3CCC3)CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000571734237 1036159111 /nfs/dbraw/zinc/15/91/11/1036159111.db2.gz RXBPVVSFVPKNHO-UHFFFAOYSA-N 1 0 334.467 4.019 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)sc2C)ccc1OC ZINC000760676261 1036195390 /nfs/dbraw/zinc/19/53/90/1036195390.db2.gz WNPXIRZQNGFUFQ-QGZVFWFLSA-N 1 0 344.480 4.344 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@H+](CCc2nccs2)C(C)C)c1O ZINC000164609359 1036201488 /nfs/dbraw/zinc/20/14/88/1036201488.db2.gz UEMJOVWCINXVMH-UHFFFAOYSA-N 1 0 346.496 4.039 20 30 EIEDRO CC1CCN([C@@H](C[NH2+]Cc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000060527694 1036209937 /nfs/dbraw/zinc/20/99/37/1036209937.db2.gz QHGQZUJNKAZTLZ-QFIPXVFZSA-N 1 0 333.479 4.121 20 30 EIEDRO CC1CCN([C@@H](C[NH2+]Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000060527685 1036212867 /nfs/dbraw/zinc/21/28/67/1036212867.db2.gz IWBXNKNFAMNPJI-QFIPXVFZSA-N 1 0 333.479 4.121 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCCCC#N)cc2)C1 ZINC000588156520 1036233266 /nfs/dbraw/zinc/23/32/66/1036233266.db2.gz YVVKISXLHLVWNT-QGZVFWFLSA-N 1 0 327.472 4.331 20 30 EIEDRO Cc1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cnc1Cl ZINC000760681551 1036275296 /nfs/dbraw/zinc/27/52/96/1036275296.db2.gz FTDXAVPXBRAION-UHFFFAOYSA-N 1 0 338.760 4.204 20 30 EIEDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421325899 1036276462 /nfs/dbraw/zinc/27/64/62/1036276462.db2.gz MPIQVSMQOGAXNX-AWEZNQCLSA-N 1 0 344.455 4.224 20 30 EIEDRO C[C@H]([NH2+]C1(CNC(=O)CCCCCC#N)CCCC1)c1ccccc1 ZINC000588358218 1036358537 /nfs/dbraw/zinc/35/85/37/1036358537.db2.gz FPZNHNSFYKRMQI-SFHVURJKSA-N 1 0 341.499 4.240 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)CC(C)(C)c2c[nH]c3ccccc32)CC1 ZINC000572184186 1036460902 /nfs/dbraw/zinc/46/09/02/1036460902.db2.gz QCFLPZGIQFAVHQ-KRWDZBQOSA-N 1 0 339.527 4.464 20 30 EIEDRO C[C@@H](CCC#N)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000602479134 1036462211 /nfs/dbraw/zinc/46/22/11/1036462211.db2.gz FTYKHIWRKGMZGY-NSHDSACASA-N 1 0 327.291 4.415 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(C(F)F)nc3)CC2)cc1 ZINC000602494477 1036469759 /nfs/dbraw/zinc/46/97/59/1036469759.db2.gz PAEAYHSAJIJQKR-UHFFFAOYSA-N 1 0 325.362 4.180 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cccc(OCc2ccccn2)c1 ZINC000602518790 1036475111 /nfs/dbraw/zinc/47/51/11/1036475111.db2.gz SHAKZCRISKKTEU-LRYGQEGESA-N 1 0 335.451 4.394 20 30 EIEDRO N#CC1CCC([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)CC1 ZINC000602522392 1036477041 /nfs/dbraw/zinc/47/70/41/1036477041.db2.gz SRZHBSBNDLSRPQ-UHFFFAOYSA-N 1 0 325.387 4.185 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]C[C@H](C)CCC#N)cc1Br ZINC000602512653 1036486748 /nfs/dbraw/zinc/48/67/48/1036486748.db2.gz LOBXYVYMBIQQOY-NEPJUHHUSA-N 1 0 325.250 4.048 20 30 EIEDRO N#Cc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c(F)c1 ZINC000602540245 1036489894 /nfs/dbraw/zinc/48/98/94/1036489894.db2.gz YAWIOGQOJVJFGR-KNQAVFIVSA-N 1 0 349.453 4.155 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000602566408 1036496108 /nfs/dbraw/zinc/49/61/08/1036496108.db2.gz HTKRBLKUBRLHBA-ILXRZTDVSA-N 1 0 332.410 4.044 20 30 EIEDRO N#CC1CCC([NH2+]CC2(c3ccccc3Br)CC2)CC1 ZINC000602557630 1036497436 /nfs/dbraw/zinc/49/74/36/1036497436.db2.gz YQFGZZANYJKEBE-UHFFFAOYSA-N 1 0 333.273 4.153 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000602572840 1036499748 /nfs/dbraw/zinc/49/97/48/1036499748.db2.gz TXKPFEJAWRNQTO-WMLDXEAASA-N 1 0 346.446 4.116 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000602589191 1036502888 /nfs/dbraw/zinc/50/28/88/1036502888.db2.gz DVDDAYXZZWLXNC-PNQJHCTGSA-N 1 0 347.453 4.161 20 30 EIEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CCC(C#N)CC1 ZINC000602583797 1036514634 /nfs/dbraw/zinc/51/46/34/1036514634.db2.gz YLMITWQGSHASAT-XIKARTHZSA-N 1 0 339.252 4.191 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000602586320 1036515461 /nfs/dbraw/zinc/51/54/61/1036515461.db2.gz PUGIWCRTKUDNKE-JXFKEZNVSA-N 1 0 332.451 4.192 20 30 EIEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)oc1C ZINC000502706249 1036530532 /nfs/dbraw/zinc/53/05/32/1036530532.db2.gz FRPPTYFZIHTPMC-WMLDXEAASA-N 1 0 341.430 4.227 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000602628392 1036545063 /nfs/dbraw/zinc/54/50/63/1036545063.db2.gz WZKQCHUBCXXQBU-GFCCVEGCSA-N 1 0 328.353 4.406 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000602670807 1036549289 /nfs/dbraw/zinc/54/92/89/1036549289.db2.gz GMQSSHMZVWJMRB-CPUCHLNUSA-N 1 0 340.389 4.407 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000414534425 1036556998 /nfs/dbraw/zinc/55/69/98/1036556998.db2.gz KDDJVMYWSGWYQE-CYBMUJFWSA-N 1 0 326.387 4.439 20 30 EIEDRO N#CC1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000602695932 1036565628 /nfs/dbraw/zinc/56/56/28/1036565628.db2.gz OTWGFYRDEISHJV-UHFFFAOYSA-N 1 0 327.653 4.274 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000602711695 1036580173 /nfs/dbraw/zinc/58/01/73/1036580173.db2.gz JIGGNIODPMVBKK-FHLIZLRMSA-N 1 0 328.456 4.086 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000602781081 1036621308 /nfs/dbraw/zinc/62/13/08/1036621308.db2.gz GZGQICQEAYDLPB-FGZHOGPDSA-N 1 0 332.447 4.031 20 30 EIEDRO CC(C)(C)c1csc(CC2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000602893708 1036663893 /nfs/dbraw/zinc/66/38/93/1036663893.db2.gz SVHFLVIIDSQYOU-HOTGVXAUSA-N 1 0 331.529 4.387 20 30 EIEDRO Cc1ccc2sc(C[NH+]3CCC(c4ccc(C#N)cn4)CC3)nc2c1 ZINC000602905494 1036669833 /nfs/dbraw/zinc/66/98/33/1036669833.db2.gz FSZMIISFQXHSBS-UHFFFAOYSA-N 1 0 348.475 4.251 20 30 EIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc2[nH]c(=O)oc2c1 ZINC000602991744 1036693501 /nfs/dbraw/zinc/69/35/01/1036693501.db2.gz ORUJEGUBNAICQY-ZDUSSCGKSA-N 1 0 335.407 4.185 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000598590812 1036707289 /nfs/dbraw/zinc/70/72/89/1036707289.db2.gz QJZPDRSNQCUFSF-IBGZPJMESA-N 1 0 336.479 4.320 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC[C@@H]3CC3(F)F)c2)c1 ZINC000598647418 1036736317 /nfs/dbraw/zinc/73/63/17/1036736317.db2.gz LYKCZERGVVLKOL-GOSISDBHSA-N 1 0 342.389 4.272 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)CC2 ZINC000589338802 1036740283 /nfs/dbraw/zinc/74/02/83/1036740283.db2.gz FWUNGOKOQJCNBP-PKTZIBPZSA-N 1 0 345.490 4.362 20 30 EIEDRO COc1cccc(C2(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)CC2)c1 ZINC000589344737 1036741125 /nfs/dbraw/zinc/74/11/25/1036741125.db2.gz WKOOOMLBLVJPEX-NRFANRHFSA-N 1 0 332.447 4.266 20 30 EIEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000165298811 1036756082 /nfs/dbraw/zinc/75/60/82/1036756082.db2.gz AUJFPJGRGBCERP-AWEZNQCLSA-N 1 0 341.842 4.233 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593602966 1036761837 /nfs/dbraw/zinc/76/18/37/1036761837.db2.gz RCICDAGDHKBOCR-HOTGVXAUSA-N 1 0 330.472 4.357 20 30 EIEDRO Cc1cc([NH+]2CCCCCC2)ccc1NC[C@H](O)CC(C)(C)C#N ZINC000598729940 1036764737 /nfs/dbraw/zinc/76/47/37/1036764737.db2.gz OVSOJCMKYWWGLL-GOSISDBHSA-N 1 0 329.488 4.088 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502908116 1036777744 /nfs/dbraw/zinc/77/77/44/1036777744.db2.gz YYJUNSVDWDCNKU-QGZVFWFLSA-N 1 0 335.451 4.188 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccccn3)CC2)c(C(F)(F)F)c1 ZINC000589496900 1036802884 /nfs/dbraw/zinc/80/28/84/1036802884.db2.gz XJFRSXSJTZQKLK-UHFFFAOYSA-N 1 0 345.368 4.352 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)s1 ZINC000421880082 1036831107 /nfs/dbraw/zinc/83/11/07/1036831107.db2.gz NZWSFPRGLOGAQA-ROUUACIJSA-N 1 0 346.883 4.153 20 30 EIEDRO COc1cc(C[NH2+]C2(c3ccccc3Cl)CCC2)ccc1C#N ZINC000593647962 1036832258 /nfs/dbraw/zinc/83/22/58/1036832258.db2.gz BDOQPTVKBGVMMH-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3[C@@H]4Cc5cc(Cl)ccc5[C@@H]43)cc2)CC1 ZINC000598987595 1036833753 /nfs/dbraw/zinc/83/37/53/1036833753.db2.gz RXXYEPQGYJLVPH-HSALFYBXSA-N 1 0 334.850 4.323 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C#N)c(C)c1 ZINC000486805074 1036865002 /nfs/dbraw/zinc/86/50/02/1036865002.db2.gz XZEXYUQBWKTIRE-UHFFFAOYSA-N 1 0 335.451 4.026 20 30 EIEDRO CC1(C)CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000593693089 1036894698 /nfs/dbraw/zinc/89/46/98/1036894698.db2.gz ORSBZMZLTICMCN-UHFFFAOYSA-N 1 0 325.500 4.081 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCC34CCCC4)CC2)c1 ZINC000593695101 1036899190 /nfs/dbraw/zinc/89/91/90/1036899190.db2.gz IEMNGHBOZHUGFV-OAQYLSRUSA-N 1 0 337.511 4.225 20 30 EIEDRO CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593703209 1036911039 /nfs/dbraw/zinc/91/10/39/1036911039.db2.gz QRWJSTKWFBWRSU-QFIPXVFZSA-N 1 0 347.506 4.134 20 30 EIEDRO N#Cc1c(F)cccc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000589990974 1036926092 /nfs/dbraw/zinc/92/60/92/1036926092.db2.gz XJMQYNAFWNGACA-NRFANRHFSA-N 1 0 337.442 4.014 20 30 EIEDRO CCc1ccc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000593721354 1036933660 /nfs/dbraw/zinc/93/36/60/1036933660.db2.gz LGZAYUZNOMEUSW-MRXNPFEDSA-N 1 0 337.467 4.029 20 30 EIEDRO Cc1ccsc1[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593722673 1036937914 /nfs/dbraw/zinc/93/79/14/1036937914.db2.gz PUMJSULVEFZMKL-INIZCTEOSA-N 1 0 339.508 4.243 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000599348221 1036964228 /nfs/dbraw/zinc/96/42/28/1036964228.db2.gz DEVDLMCTBDHVHM-WMZOPIPTSA-N 1 0 336.435 4.184 20 30 EIEDRO Cc1ccc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000599371189 1036972383 /nfs/dbraw/zinc/97/23/83/1036972383.db2.gz NESUJCYXJNVACO-LEWJYISDSA-N 1 0 338.426 4.358 20 30 EIEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000599420359 1036997964 /nfs/dbraw/zinc/99/79/64/1036997964.db2.gz FIEVLLFVABXGBV-WBMJQRKESA-N 1 0 339.266 4.089 20 30 EIEDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000590169997 1037011557 /nfs/dbraw/zinc/01/15/57/1037011557.db2.gz UBIYNDVXAYFVOE-NSHDSACASA-N 1 0 349.312 4.336 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000590254420 1037020865 /nfs/dbraw/zinc/02/08/65/1037020865.db2.gz VNLGGPIDAUANGG-ZAAXVRCTSA-N 1 0 340.467 4.037 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271839473 1037030807 /nfs/dbraw/zinc/03/08/07/1037030807.db2.gz GPTBNMNEFJRBIW-SXGZJXTBSA-N 1 0 342.414 4.155 20 30 EIEDRO CC(C)(C#N)CC[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000599515935 1037047580 /nfs/dbraw/zinc/04/75/80/1037047580.db2.gz ZBYYQERTXZMCCI-UHFFFAOYSA-N 1 0 344.503 4.312 20 30 EIEDRO CC(C)CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000603900924 1037082043 /nfs/dbraw/zinc/08/20/43/1037082043.db2.gz GYKUBTBEPZMECE-CQSZACIVSA-N 1 0 347.528 4.051 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)c1C#N ZINC000599628667 1037100920 /nfs/dbraw/zinc/10/09/20/1037100920.db2.gz CXSXWIZKSVEWMT-HXUWFJFHSA-N 1 0 336.435 4.140 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000057555300 1037108590 /nfs/dbraw/zinc/10/85/90/1037108590.db2.gz ZNXIHBOKFWTELS-IAGOWNOFSA-N 1 0 349.478 4.222 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677564 1037115484 /nfs/dbraw/zinc/11/54/84/1037115484.db2.gz MJSIZIIFDLKXCL-UHFFFAOYSA-N 1 0 329.447 4.112 20 30 EIEDRO C[C@@H](NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000590646853 1037130138 /nfs/dbraw/zinc/13/01/38/1037130138.db2.gz LWZIPIJRBLLTMB-RBUKOAKNSA-N 1 0 347.506 4.304 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)CC1 ZINC000590644460 1037130265 /nfs/dbraw/zinc/13/02/65/1037130265.db2.gz MPVKAHTVYHXTTK-LVIWNVNYSA-N 1 0 346.478 4.063 20 30 EIEDRO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000590646851 1037131514 /nfs/dbraw/zinc/13/15/14/1037131514.db2.gz LWZIPIJRBLLTMB-MOPGFXCFSA-N 1 0 347.506 4.304 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000590750793 1037154112 /nfs/dbraw/zinc/15/41/12/1037154112.db2.gz ZIXULNSQSASVHT-XUVXKRRUSA-N 1 0 326.484 4.003 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)cc1 ZINC000590763390 1037156455 /nfs/dbraw/zinc/15/64/55/1037156455.db2.gz RUCUFYNDWQDNGI-UHFFFAOYSA-N 1 0 348.490 4.369 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000590964574 1037216308 /nfs/dbraw/zinc/21/63/08/1037216308.db2.gz PAVWHQPBHUZMTM-OAQYLSRUSA-N 1 0 334.463 4.250 20 30 EIEDRO C[NH+](C)[C@@H](CC(=O)Nc1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000573091463 1037346475 /nfs/dbraw/zinc/34/64/75/1037346475.db2.gz RDODWWPUTQXJDF-SFHVURJKSA-N 1 0 341.842 4.038 20 30 EIEDRO C=CCCCCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000488176138 1037390214 /nfs/dbraw/zinc/39/02/14/1037390214.db2.gz CCTWVAPHHBZVCO-UHFFFAOYSA-N 1 0 333.451 4.158 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000488182089 1037399678 /nfs/dbraw/zinc/39/96/78/1037399678.db2.gz LHHMPSPNYMOFEZ-KRWDZBQOSA-N 1 0 335.451 4.106 20 30 EIEDRO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521484 1037400489 /nfs/dbraw/zinc/40/04/89/1037400489.db2.gz MKFJUBSZVOMJQN-NQIIRXRSSA-N 1 0 338.426 4.297 20 30 EIEDRO Cc1cc(-c2noc([C@@H](C)[NH2+]CCCC(C)(C)C#N)n2)ccc1F ZINC000273298866 1037401380 /nfs/dbraw/zinc/40/13/80/1037401380.db2.gz KHKBXGUFVXYZJU-CYBMUJFWSA-N 1 0 330.407 4.165 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000157356571 1037479761 /nfs/dbraw/zinc/47/97/61/1037479761.db2.gz LTRHPSKGXZOPSP-RBBKRZOGSA-N 1 0 335.447 4.099 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000171563133 1037485605 /nfs/dbraw/zinc/48/56/05/1037485605.db2.gz XXQYRKMEAZEDHR-QGZVFWFLSA-N 1 0 337.467 4.113 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000760910333 1037659806 /nfs/dbraw/zinc/65/98/06/1037659806.db2.gz WNHWTMDXNMLTSN-AZOSJMHDSA-N 1 0 338.426 4.178 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)s2)cc1 ZINC000171768996 1037660047 /nfs/dbraw/zinc/66/00/47/1037660047.db2.gz TXKRJZJEKMKZCT-UHFFFAOYSA-N 1 0 335.432 4.002 20 30 EIEDRO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000503335150 1037695361 /nfs/dbraw/zinc/69/53/61/1037695361.db2.gz HYKZWQVLIPLOCB-NRFANRHFSA-N 1 0 349.478 4.008 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503370024 1037712215 /nfs/dbraw/zinc/71/22/15/1037712215.db2.gz DKMBTQFPJVUCEO-BFUOFWGJSA-N 1 0 326.827 4.245 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503375644 1037728590 /nfs/dbraw/zinc/72/85/90/1037728590.db2.gz JAVOVQVUIXMFIW-ORAYPTAESA-N 1 0 326.827 4.245 20 30 EIEDRO N#Cc1cnccc1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000592113691 1037735365 /nfs/dbraw/zinc/73/53/65/1037735365.db2.gz HCJKEKTVIPZUGH-FUHWJXTLSA-N 1 0 345.368 4.398 20 30 EIEDRO CC(C)(C)OC(=O)C1(C)CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000592158445 1037737115 /nfs/dbraw/zinc/73/71/15/1037737115.db2.gz CCAUNSIKWRAORL-UHFFFAOYSA-N 1 0 334.504 4.294 20 30 EIEDRO CC(C)[N@H+](CCCC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592154024 1037739210 /nfs/dbraw/zinc/73/92/10/1037739210.db2.gz IIVLOKCLRCJOER-FQEVSTJZSA-N 1 0 327.516 4.301 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(C)cc1C)C(C)C ZINC000503412133 1037746686 /nfs/dbraw/zinc/74/66/86/1037746686.db2.gz UFVTZWQCRUXJBZ-IBGZPJMESA-N 1 0 329.488 4.124 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000592291853 1037769667 /nfs/dbraw/zinc/76/96/67/1037769667.db2.gz XOXDKUNYKGCVFH-UHFFFAOYSA-N 1 0 342.270 4.155 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=S)Nc1ccc(C)cc1C)C(C)C ZINC000911614363 1037782560 /nfs/dbraw/zinc/78/25/60/1037782560.db2.gz PAAJBXRIERJKBW-LJQANCHMSA-N 1 0 345.556 4.288 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000488996959 1037830234 /nfs/dbraw/zinc/83/02/34/1037830234.db2.gz PBYSTLJTMIOPCQ-MOPGFXCFSA-N 1 0 326.827 4.140 20 30 EIEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1cccc(C#N)c1 ZINC000489062580 1037855055 /nfs/dbraw/zinc/85/50/55/1037855055.db2.gz GPTKZJJFPXKTKJ-IBGZPJMESA-N 1 0 326.415 4.281 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000489085933 1037862744 /nfs/dbraw/zinc/86/27/44/1037862744.db2.gz ANZHPVOAYAWWOX-HNNXBMFYSA-N 1 0 328.419 4.285 20 30 EIEDRO N#C[C@H](CO)Cc1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000592984295 1037895284 /nfs/dbraw/zinc/89/52/84/1037895284.db2.gz AJIURHIFGPGMCG-HXUWFJFHSA-N 1 0 334.463 4.014 20 30 EIEDRO CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCCC#N)nc1 ZINC000574192690 1037948780 /nfs/dbraw/zinc/94/87/80/1037948780.db2.gz CWKOVXDMGDEPMM-HXUWFJFHSA-N 1 0 341.886 4.345 20 30 EIEDRO C=CCn1c(SCC[C@H]2CCCC[N@H+]2C)nnc1-c1cccs1 ZINC000489403028 1038022832 /nfs/dbraw/zinc/02/28/32/1038022832.db2.gz YHMQKDJTNMOHIS-CQSZACIVSA-N 1 0 348.541 4.159 20 30 EIEDRO CC(C)(C)[NH+]=C(NCc1cccs1)NCc1ccc(F)c(F)c1 ZINC000912506217 1038032508 /nfs/dbraw/zinc/03/25/08/1038032508.db2.gz LHKMOFDEVZHSEQ-UHFFFAOYSA-N 1 0 337.439 4.060 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653634 1038118741 /nfs/dbraw/zinc/11/87/41/1038118741.db2.gz UCWXSNJHTYZPFW-INIZCTEOSA-N 1 0 327.472 4.201 20 30 EIEDRO N#C[C@@H]1CCC[C@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000593677544 1038123678 /nfs/dbraw/zinc/12/36/78/1038123678.db2.gz ASMGHXLYJGVFHY-AEFFLSMTSA-N 1 0 329.513 4.369 20 30 EIEDRO CC(C)[C@H]1[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CC=CC2 ZINC000592526059 1038145427 /nfs/dbraw/zinc/14/54/27/1038145427.db2.gz GPUIPUDUYHXQHN-OAQYLSRUSA-N 1 0 346.478 4.135 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CCC2)cc1 ZINC000594030923 1038227228 /nfs/dbraw/zinc/22/72/28/1038227228.db2.gz AMUONDJLHANWGZ-UHFFFAOYSA-N 1 0 341.798 4.289 20 30 EIEDRO CC(C)n1ncc2cc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)cnc21 ZINC000594031538 1038229111 /nfs/dbraw/zinc/22/91/11/1038229111.db2.gz HXRCANBGDQFYHX-UHFFFAOYSA-N 1 0 345.450 4.053 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423450407 1038231508 /nfs/dbraw/zinc/23/15/08/1038231508.db2.gz SVCZKEIBCCKUGH-JOCHJYFZSA-N 1 0 331.463 4.474 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000172688622 1038267280 /nfs/dbraw/zinc/26/72/80/1038267280.db2.gz MKEKKSSWVDAZBU-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO C=CCOc1ccccc1-c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000504236761 1038295775 /nfs/dbraw/zinc/29/57/75/1038295775.db2.gz VONHCJGAVLOLEI-UHFFFAOYSA-N 1 0 335.407 4.030 20 30 EIEDRO C=CC[N@@H+](CCCOCC)Cc1cc(Br)ccc1F ZINC000607728482 1038303024 /nfs/dbraw/zinc/30/30/24/1038303024.db2.gz PYPKODKKIYYEFL-UHFFFAOYSA-N 1 0 330.241 4.003 20 30 EIEDRO CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000594430719 1038332309 /nfs/dbraw/zinc/33/23/09/1038332309.db2.gz BMKBLGMCQWPMRN-DOTOQJQBSA-N 1 0 341.455 4.144 20 30 EIEDRO CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000594430722 1038332880 /nfs/dbraw/zinc/33/28/80/1038332880.db2.gz BMKBLGMCQWPMRN-WBVHZDCISA-N 1 0 341.455 4.144 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000594439855 1038333327 /nfs/dbraw/zinc/33/33/27/1038333327.db2.gz RPILQKXHABVCPG-NRFANRHFSA-N 1 0 349.478 4.212 20 30 EIEDRO CC[C@H](C)Sc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c(C)c1 ZINC000594431960 1038333537 /nfs/dbraw/zinc/33/35/37/1038333537.db2.gz TWHVLLYSBILUNY-HOCLYGCPSA-N 1 0 333.501 4.235 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)cc1 ZINC000594495785 1038344753 /nfs/dbraw/zinc/34/47/53/1038344753.db2.gz WDEKTOXUKZHBFB-UHFFFAOYSA-N 1 0 349.478 4.494 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2ccc3ccccc3n2)cc1 ZINC000594496563 1038346400 /nfs/dbraw/zinc/34/64/00/1038346400.db2.gz OCJQDDVSOCTCHM-UHFFFAOYSA-N 1 0 329.447 4.368 20 30 EIEDRO COc1cc(Cl)ccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594501206 1038349972 /nfs/dbraw/zinc/34/99/72/1038349972.db2.gz WORPPJUCXZVEQT-UHFFFAOYSA-N 1 0 328.843 4.440 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)CCC2 ZINC000594503611 1038352079 /nfs/dbraw/zinc/35/20/79/1038352079.db2.gz ZXHTWEQZXMCZEW-RTWAWAEBSA-N 1 0 348.446 4.485 20 30 EIEDRO CC[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(F)cn1 ZINC000490131024 1038353530 /nfs/dbraw/zinc/35/35/30/1038353530.db2.gz RURUAIUTSCTJIB-QGZVFWFLSA-N 1 0 329.444 4.066 20 30 EIEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594515578 1038357664 /nfs/dbraw/zinc/35/76/64/1038357664.db2.gz NRNUSMPOHGTXSF-KRWDZBQOSA-N 1 0 347.462 4.253 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(OC)c1 ZINC000594515296 1038358375 /nfs/dbraw/zinc/35/83/75/1038358375.db2.gz MQRFASLKXXDSTC-OAHLLOKOSA-N 1 0 336.435 4.305 20 30 EIEDRO N#Cc1ccc(C2(NC3CC[NH+](C4CCCCC4)CC3)CCC2)cc1 ZINC000594514645 1038358693 /nfs/dbraw/zinc/35/86/93/1038358693.db2.gz KPFGBWVTTMNGKG-UHFFFAOYSA-N 1 0 337.511 4.324 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2ccccc2n1 ZINC000594514191 1038359190 /nfs/dbraw/zinc/35/91/90/1038359190.db2.gz RULLQPJAUHPKEX-UHFFFAOYSA-N 1 0 345.446 4.334 20 30 EIEDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(F)cc1F ZINC000150944042 1038379682 /nfs/dbraw/zinc/37/96/82/1038379682.db2.gz NJMCBHZSNUXQMP-SFHVURJKSA-N 1 0 330.378 4.476 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000594616248 1038383342 /nfs/dbraw/zinc/38/33/42/1038383342.db2.gz UIZZMROGPIQMGO-IRXDYDNUSA-N 1 0 338.373 4.014 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCc3sccc3C2)c1O ZINC000059333631 1038407205 /nfs/dbraw/zinc/40/72/05/1038407205.db2.gz HVSWYKPIGSAXTO-UHFFFAOYSA-N 1 0 329.465 4.139 20 30 EIEDRO COc1ccc(C[N@H+](CC2CC2)CC(C)(C)CCC#N)c(OC)c1 ZINC000504555260 1038407879 /nfs/dbraw/zinc/40/78/79/1038407879.db2.gz OMIRSBZNSXDKSS-UHFFFAOYSA-N 1 0 330.472 4.246 20 30 EIEDRO CO[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1Cl ZINC000594930767 1038417012 /nfs/dbraw/zinc/41/70/12/1038417012.db2.gz IPEOHILWULOWIT-LJQANCHMSA-N 1 0 340.854 4.372 20 30 EIEDRO N#CC1(c2ccc(CN[C@H](C[NH+]3CCCC3)c3ccccc3)cc2)CC1 ZINC000594914146 1038425016 /nfs/dbraw/zinc/42/50/16/1038425016.db2.gz DMTDHUXSSOHRAW-JOCHJYFZSA-N 1 0 345.490 4.168 20 30 EIEDRO N#CC1(c2ccc(CN[C@@H](C[NH+]3CCCC3)c3ccccc3)cc2)CC1 ZINC000594914147 1038427638 /nfs/dbraw/zinc/42/76/38/1038427638.db2.gz DMTDHUXSSOHRAW-QFIPXVFZSA-N 1 0 345.490 4.168 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccccc3Br)cc2)CC1 ZINC000594927048 1038429210 /nfs/dbraw/zinc/42/92/10/1038429210.db2.gz RCGMRRMUSCIUJU-UHFFFAOYSA-N 1 0 341.252 4.294 20 30 EIEDRO COc1ccccc1CC(C)(C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594922951 1038429592 /nfs/dbraw/zinc/42/95/92/1038429592.db2.gz WDFVUIOUABFZFS-UHFFFAOYSA-N 1 0 334.463 4.361 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)cc2)CC1 ZINC000594922630 1038429754 /nfs/dbraw/zinc/42/97/54/1038429754.db2.gz GUEKHVZWENVUOJ-LJQANCHMSA-N 1 0 336.410 4.384 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccccc3OC3CCC3)cc2)CC1 ZINC000594925806 1038430437 /nfs/dbraw/zinc/43/04/37/1038430437.db2.gz PLBGGTJUFCBRCL-UHFFFAOYSA-N 1 0 332.447 4.463 20 30 EIEDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c21 ZINC000594923422 1038430599 /nfs/dbraw/zinc/43/05/99/1038430599.db2.gz GTBNACFBVUJZES-UHFFFAOYSA-N 1 0 329.447 4.364 20 30 EIEDRO C[C@H](COc1c(F)cccc1F)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594972891 1038480664 /nfs/dbraw/zinc/48/06/64/1038480664.db2.gz FNDSSELEXHCXHE-CQSZACIVSA-N 1 0 344.405 4.323 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000594977581 1038485290 /nfs/dbraw/zinc/48/52/90/1038485290.db2.gz UONKEABKMVTIGU-UHFFFAOYSA-N 1 0 342.395 4.070 20 30 EIEDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594933835 1038489419 /nfs/dbraw/zinc/48/94/19/1038489419.db2.gz CNHPJSIHUSAYKN-MGPUTAFESA-N 1 0 338.426 4.247 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3SCCc4ccccc43)cc2)CC1 ZINC000594937392 1038494551 /nfs/dbraw/zinc/49/45/51/1038494551.db2.gz KUAIOTYZTIIBMZ-FQEVSTJZSA-N 1 0 334.488 4.362 20 30 EIEDRO COc1cc(F)cc(C[C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594946402 1038523083 /nfs/dbraw/zinc/52/30/83/1038523083.db2.gz OZEQOWATAIEKGJ-HNNXBMFYSA-N 1 0 338.426 4.110 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H](CCO)c3ccc(Cl)cc3)cc2)CC1 ZINC000594950080 1038523526 /nfs/dbraw/zinc/52/35/26/1038523526.db2.gz AAYFNGFEUUBELF-IBGZPJMESA-N 1 0 340.854 4.108 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000594965183 1038549800 /nfs/dbraw/zinc/54/98/00/1038549800.db2.gz RHNYMKFXWAVHNB-IRLDBZIGSA-N 1 0 337.511 4.247 20 30 EIEDRO COc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)ccc1OC(C)C ZINC000594968288 1038555186 /nfs/dbraw/zinc/55/51/86/1038555186.db2.gz RCGMCJWWOKYFRK-UHFFFAOYSA-N 1 0 338.451 4.379 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)s1 ZINC000594967020 1038563681 /nfs/dbraw/zinc/56/36/81/1038563681.db2.gz VEWKWPVNDXQCTJ-SFHVURJKSA-N 1 0 346.883 4.155 20 30 EIEDRO Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424108366 1038578811 /nfs/dbraw/zinc/57/88/11/1038578811.db2.gz WPGSXUOBNOISFR-KRWDZBQOSA-N 1 0 339.464 4.106 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000424297523 1038773645 /nfs/dbraw/zinc/77/36/45/1038773645.db2.gz QUZZSTMWDSCAKS-XIRDDKMYSA-N 1 0 341.373 4.217 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000424301267 1038778205 /nfs/dbraw/zinc/77/82/05/1038778205.db2.gz ZOPXSOYRNNFNPL-DJPFJPOOSA-N 1 0 334.419 4.098 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000424328034 1038807547 /nfs/dbraw/zinc/80/75/47/1038807547.db2.gz NSTXFEUSRQUORO-GARJFASQSA-N 1 0 346.324 4.232 20 30 EIEDRO COc1ccc(OCCC[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750946 1038814650 /nfs/dbraw/zinc/81/46/50/1038814650.db2.gz WGRNBFFDRGVPGF-UHFFFAOYSA-N 1 0 338.451 4.246 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000480880171 1038857044 /nfs/dbraw/zinc/85/70/44/1038857044.db2.gz IUZVJUUREAZKBC-IBGZPJMESA-N 1 0 325.843 4.288 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)cc1C#N ZINC000174243661 1038881926 /nfs/dbraw/zinc/88/19/26/1038881926.db2.gz VSNWAKGQGKLCCS-LJQANCHMSA-N 1 0 326.827 4.461 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC1CC[NH+](CCCC)CC1 ZINC000505010462 1038885373 /nfs/dbraw/zinc/88/53/73/1038885373.db2.gz HIIRUWFJJORFCP-UHFFFAOYSA-N 1 0 329.488 4.191 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000063915076 1038890617 /nfs/dbraw/zinc/89/06/17/1038890617.db2.gz LYPCXRLCVVJTFZ-UHFFFAOYSA-N 1 0 340.492 4.172 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000505034736 1038905627 /nfs/dbraw/zinc/90/56/27/1038905627.db2.gz HESQDNICZAKXEE-UHFFFAOYSA-N 1 0 337.467 4.189 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000505037737 1038917660 /nfs/dbraw/zinc/91/76/60/1038917660.db2.gz DYGOMIMOOJCXKH-UHFFFAOYSA-N 1 0 329.488 4.190 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000539296232 1038943088 /nfs/dbraw/zinc/94/30/88/1038943088.db2.gz ZVLIRIOTONZAAL-ZBFHGGJFSA-N 1 0 330.497 4.262 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000505052891 1038953444 /nfs/dbraw/zinc/95/34/44/1038953444.db2.gz ZNZZWYXTEQAUIO-HXUWFJFHSA-N 1 0 349.478 4.201 20 30 EIEDRO CC(C)(C)C[NH+](CCC(=O)Nc1sccc1C#N)CC(C)(C)C ZINC000539322847 1038986592 /nfs/dbraw/zinc/98/65/92/1038986592.db2.gz AJJBLVMJFXKZDS-UHFFFAOYSA-N 1 0 335.517 4.343 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)Cc1cccs1 ZINC000174533762 1038987861 /nfs/dbraw/zinc/98/78/61/1038987861.db2.gz JBWDFSDZUCQRCJ-MRXNPFEDSA-N 1 0 327.497 4.066 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)cc1 ZINC000174545268 1038994720 /nfs/dbraw/zinc/99/47/20/1038994720.db2.gz RGJAMQJMRUCWEQ-GOSISDBHSA-N 1 0 326.465 4.095 20 30 EIEDRO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2)cc1 ZINC000174589153 1039000435 /nfs/dbraw/zinc/00/04/35/1039000435.db2.gz UWAMZLQBGAXSFU-AZUAARDMSA-N 1 0 349.478 4.045 20 30 EIEDRO C#CCCC[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000174611889 1039009642 /nfs/dbraw/zinc/00/96/42/1039009642.db2.gz BSQAAOSWWCYACA-UHFFFAOYSA-N 1 0 335.270 4.076 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424689657 1039014244 /nfs/dbraw/zinc/01/42/44/1039014244.db2.gz XGKXTSUHQTUYCX-HKUYNNGSSA-N 1 0 328.500 4.100 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000539362764 1039023466 /nfs/dbraw/zinc/02/34/66/1039023466.db2.gz UENVNNUFWRXXLM-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000424740407 1039048113 /nfs/dbraw/zinc/04/81/13/1039048113.db2.gz RFWULDNYJDVPRC-PMACEKPBSA-N 1 0 340.511 4.102 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000552061821 1039082547 /nfs/dbraw/zinc/08/25/47/1039082547.db2.gz BLUBNXGKXQEZFD-MRXNPFEDSA-N 1 0 329.362 4.219 20 30 EIEDRO C=CCN1CCC[C@@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1=O ZINC001168335641 1039083594 /nfs/dbraw/zinc/08/35/94/1039083594.db2.gz NORGDPQAAMCFCH-NKELODKYSA-N 1 0 346.902 4.133 20 30 EIEDRO C=CC1CC[NH+](Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000537628001 1039096291 /nfs/dbraw/zinc/09/62/91/1039096291.db2.gz XUFFFDMHIJVXMH-UHFFFAOYSA-N 1 0 338.451 4.067 20 30 EIEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000481198795 1039126762 /nfs/dbraw/zinc/12/67/62/1039126762.db2.gz CLWICJVVTJQRMN-RTBURBONSA-N 1 0 341.499 4.109 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000121124141 1039313452 /nfs/dbraw/zinc/31/34/52/1039313452.db2.gz DZTDNJIXUWFDHM-UHFFFAOYSA-N 1 0 325.334 4.153 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)C1 ZINC000552323304 1039380518 /nfs/dbraw/zinc/38/05/18/1039380518.db2.gz DDXWKGGBAVKZIM-VXGBXAGGSA-N 1 0 339.302 4.214 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC000481394940 1039380788 /nfs/dbraw/zinc/38/07/88/1039380788.db2.gz YEONQBHFJIYARK-SGTLLEGYSA-N 1 0 332.806 4.217 20 30 EIEDRO Cc1ccc([C@@H](C)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000600208924 1039385481 /nfs/dbraw/zinc/38/54/81/1039385481.db2.gz RRSXOZJVCBXPLM-SFHVURJKSA-N 1 0 334.463 4.266 20 30 EIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1 ZINC000555619454 1039463641 /nfs/dbraw/zinc/46/36/41/1039463641.db2.gz PDZUOWRBFRQWBC-UHFFFAOYSA-N 1 0 337.341 4.282 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000080347241 1039468281 /nfs/dbraw/zinc/46/82/81/1039468281.db2.gz ZDENKFXCSNTFBG-UHFFFAOYSA-N 1 0 326.396 4.185 20 30 EIEDRO COC(=O)c1cccc(C[NH2+]C2(c3ccccc3)CCCCC2)c1C#N ZINC000534474481 1039499907 /nfs/dbraw/zinc/49/99/07/1039499907.db2.gz NOBFYHMUMUPOPG-UHFFFAOYSA-N 1 0 348.446 4.294 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(O)cc(C(F)(F)F)c3)CCC2)cc1 ZINC000594517807 1039513006 /nfs/dbraw/zinc/51/30/06/1039513006.db2.gz MPFWVKHPEIIGQH-UHFFFAOYSA-N 1 0 346.352 4.452 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc(F)c1F ZINC001143610270 1039548220 /nfs/dbraw/zinc/54/82/20/1039548220.db2.gz VBAVQTOYKQTMKK-GOSISDBHSA-N 1 0 342.389 4.188 20 30 EIEDRO N#CCCCC[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000555734302 1039582528 /nfs/dbraw/zinc/58/25/28/1039582528.db2.gz HWPKOJLROBZZIC-UHFFFAOYSA-N 1 0 326.362 4.458 20 30 EIEDRO C=C(C)[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000481593828 1039607251 /nfs/dbraw/zinc/60/72/51/1039607251.db2.gz FUMOCBHQXDAABJ-XLIONFOSSA-N 1 0 331.406 4.165 20 30 EIEDRO C=CC1CC[NH+](Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000093359176 1039668083 /nfs/dbraw/zinc/66/80/83/1039668083.db2.gz POEGTLJJDKFEQO-UHFFFAOYSA-N 1 0 338.451 4.067 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481704574 1039768835 /nfs/dbraw/zinc/76/88/35/1039768835.db2.gz OUAIGHOCNMQAQA-FQEVSTJZSA-N 1 0 338.838 4.233 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2ccccc2F)ccc1OC ZINC000060927090 1039778252 /nfs/dbraw/zinc/77/82/52/1039778252.db2.gz GQRNZLALBHMETP-UHFFFAOYSA-N 1 0 329.415 4.122 20 30 EIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000534915388 1039842450 /nfs/dbraw/zinc/84/24/50/1039842450.db2.gz MWYJNQGOHVHOFT-OAHLLOKOSA-N 1 0 326.415 4.017 20 30 EIEDRO C=CCC1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000478694078 1039863794 /nfs/dbraw/zinc/86/37/94/1039863794.db2.gz QCFASGUSQNOVGH-GOSISDBHSA-N 1 0 340.511 4.281 20 30 EIEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000434770279 1039865834 /nfs/dbraw/zinc/86/58/34/1039865834.db2.gz ZMZNIBNTTVNTIA-LTDKPHRXSA-N 1 0 327.472 4.058 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000442692086 1039880590 /nfs/dbraw/zinc/88/05/90/1039880590.db2.gz MXXKDAWUQOQFHJ-AZUAARDMSA-N 1 0 325.500 4.207 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)ccc1OC ZINC000556045227 1039886246 /nfs/dbraw/zinc/88/62/46/1039886246.db2.gz JENXYJPIMGCNFF-OAHLLOKOSA-N 1 0 343.389 4.424 20 30 EIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281923368 1039888281 /nfs/dbraw/zinc/88/82/81/1039888281.db2.gz HIXILQNMDQOUEE-INIZCTEOSA-N 1 0 334.891 4.303 20 30 EIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc(Cl)ccc2C#N)CC1 ZINC000425233728 1039900191 /nfs/dbraw/zinc/90/01/91/1039900191.db2.gz GYANYMLAWVNULY-AWEZNQCLSA-N 1 0 340.858 4.244 20 30 EIEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cccc(Cl)c2C#N)CC1 ZINC000425235858 1039908716 /nfs/dbraw/zinc/90/87/16/1039908716.db2.gz JCVFQPWCRZRFGX-CQSZACIVSA-N 1 0 340.858 4.244 20 30 EIEDRO C[C@@](CO)(C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000481999003 1039939586 /nfs/dbraw/zinc/93/95/86/1039939586.db2.gz FKFVFOSCSKRWMH-GOTSBHOMSA-N 1 0 348.490 4.157 20 30 EIEDRO C[C@](CO)(C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000481999006 1039941968 /nfs/dbraw/zinc/94/19/68/1039941968.db2.gz FKFVFOSCSKRWMH-XZOQPEGZSA-N 1 0 348.490 4.157 20 30 EIEDRO Cc1nsc(NCc2ccccc2C[NH+]2CCCCCC2)c1C#N ZINC000553045014 1039942850 /nfs/dbraw/zinc/94/28/50/1039942850.db2.gz SYEFHOGLCSTJKC-UHFFFAOYSA-N 1 0 340.496 4.311 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000482001749 1039944038 /nfs/dbraw/zinc/94/40/38/1039944038.db2.gz VAQZMJQIMMWRHC-MHTWAQMVSA-N 1 0 336.479 4.263 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000478913892 1040013945 /nfs/dbraw/zinc/01/39/45/1040013945.db2.gz VBAVTQUEONNLNU-JTSKRJEESA-N 1 0 333.479 4.119 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2c(CC)cc(C)cc2CC)CC1 ZINC000435182836 1040158595 /nfs/dbraw/zinc/15/85/95/1040158595.db2.gz TVADOFWKEQNTSK-UHFFFAOYSA-N 1 0 343.515 4.282 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+](C)Cc2cccc(OC)c2)ccc1OC ZINC000505636402 1040202756 /nfs/dbraw/zinc/20/27/56/1040202756.db2.gz QKETUOCBSZXXSK-UHFFFAOYSA-N 1 0 341.451 4.291 20 30 EIEDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000435269953 1040237782 /nfs/dbraw/zinc/23/77/82/1040237782.db2.gz JOJOQJACOFKBGS-HXUWFJFHSA-N 1 0 336.414 4.174 20 30 EIEDRO C=C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000535509934 1040314162 /nfs/dbraw/zinc/31/41/62/1040314162.db2.gz DLPDNACMGYNTSN-RBBKRZOGSA-N 1 0 348.490 4.127 20 30 EIEDRO CO[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cccc(Cl)c1 ZINC000174641681 1040325342 /nfs/dbraw/zinc/32/53/42/1040325342.db2.gz HUUPVXFDQBHOEB-IFXJQAMLSA-N 1 0 344.842 4.108 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2cnc(C)n2C)C(C)(C)C)cc1 ZINC000667485143 1040329721 /nfs/dbraw/zinc/32/97/21/1040329721.db2.gz IGLTYAPQDXXXRE-UHFFFAOYSA-N 1 0 327.472 4.094 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc(OC)c1O ZINC000425364073 1040335369 /nfs/dbraw/zinc/33/53/69/1040335369.db2.gz DUDAXSUNJYEDRQ-HNNXBMFYSA-N 1 0 336.435 4.194 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000482619970 1040387425 /nfs/dbraw/zinc/38/74/25/1040387425.db2.gz NPCRRKXAEPHYHI-FQEVSTJZSA-N 1 0 328.500 4.147 20 30 EIEDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000479469025 1040397120 /nfs/dbraw/zinc/39/71/20/1040397120.db2.gz VFJCIMHSXGDRSR-QFBILLFUSA-N 1 0 340.442 4.386 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000482653106 1040414469 /nfs/dbraw/zinc/41/44/69/1040414469.db2.gz WQSWSCGREKXTPT-INIZCTEOSA-N 1 0 342.483 4.441 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(COCc3ccccc3)cc2)o1 ZINC000539447643 1040450693 /nfs/dbraw/zinc/45/06/93/1040450693.db2.gz BQVKFONQAYEPIA-UHFFFAOYSA-N 1 0 332.403 4.158 20 30 EIEDRO CCc1ccc([C@H]([NH2+]CCC(=O)Nc2ccccc2C#N)C(C)C)cc1 ZINC000442976768 1040463910 /nfs/dbraw/zinc/46/39/10/1040463910.db2.gz UJLCDGFQBHRBCB-JOCHJYFZSA-N 1 0 349.478 4.436 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccc(OCc2ccncc2)cc1 ZINC000491258532 1040469215 /nfs/dbraw/zinc/46/92/15/1040469215.db2.gz FAZVWOSBRLADSS-UHFFFAOYSA-N 1 0 348.446 4.484 20 30 EIEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000539494543 1040470488 /nfs/dbraw/zinc/47/04/88/1040470488.db2.gz JMISTLFTTUPHHA-OXJNMPFZSA-N 1 0 337.442 4.325 20 30 EIEDRO C[C@H]1CCCC[C@@H]1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539494935 1040470713 /nfs/dbraw/zinc/47/07/13/1040470713.db2.gz VYINLTGFGPZGDD-GHTZIAJQSA-N 1 0 339.527 4.329 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000539496160 1040470772 /nfs/dbraw/zinc/47/07/72/1040470772.db2.gz KKEDSPCOWHSBAB-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)c3ccc(C#N)cc3)cc2)n1 ZINC000539498969 1040491775 /nfs/dbraw/zinc/49/17/75/1040491775.db2.gz ZFVNTUYNOLOQQR-GOSISDBHSA-N 1 0 344.462 4.254 20 30 EIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1cccc(F)c1 ZINC000160458086 1040536360 /nfs/dbraw/zinc/53/63/60/1040536360.db2.gz PIHRDYXYVPANJB-UHFFFAOYSA-N 1 0 348.425 4.235 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000435730625 1040562203 /nfs/dbraw/zinc/56/22/03/1040562203.db2.gz GIVHMCVERBHWRG-IAQYHMDHSA-N 1 0 330.255 4.073 20 30 EIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(C)(C)C#N)[C@@H]2CCCC[C@H]12 ZINC000539569785 1040566954 /nfs/dbraw/zinc/56/69/54/1040566954.db2.gz KGDPAEQDRCVIIM-NTZUZEMLSA-N 1 0 347.547 4.110 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(C#N)c(F)c1 ZINC000539602254 1040600486 /nfs/dbraw/zinc/60/04/86/1040600486.db2.gz FIUUABOYSAZGEC-KDOFPFPSSA-N 1 0 343.471 4.247 20 30 EIEDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000539608609 1040605146 /nfs/dbraw/zinc/60/51/46/1040605146.db2.gz UMNDSYZLWMJPJB-AWEZNQCLSA-N 1 0 339.414 4.287 20 30 EIEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000553988196 1040701125 /nfs/dbraw/zinc/70/11/25/1040701125.db2.gz YOGOPEPVIUPIBV-YOEHRIQHSA-N 1 0 338.455 4.255 20 30 EIEDRO COc1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)Cc2ccccc2)cc1 ZINC000483160488 1040729120 /nfs/dbraw/zinc/72/91/20/1040729120.db2.gz ROQWPABPVRNOPA-UHFFFAOYSA-N 1 0 345.446 4.108 20 30 EIEDRO CC(C)[N@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(Br)c1 ZINC000483173395 1040745721 /nfs/dbraw/zinc/74/57/21/1040745721.db2.gz NRLRBOFFTVVWJW-UHFFFAOYSA-N 1 0 346.272 4.070 20 30 EIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000554116037 1040810212 /nfs/dbraw/zinc/81/02/12/1040810212.db2.gz KBMCAPMINCTTNP-HZPDHXFCSA-N 1 0 326.415 4.343 20 30 EIEDRO Cn1cc(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1C#N ZINC000483307995 1040812574 /nfs/dbraw/zinc/81/25/74/1040812574.db2.gz OFJCTMVNNSOHBZ-UHFFFAOYSA-N 1 0 347.384 4.295 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]CCC3CCCCC3)CC2)nc1 ZINC000483314043 1040816742 /nfs/dbraw/zinc/81/67/42/1040816742.db2.gz YRYWXUJLEBXJPO-UHFFFAOYSA-N 1 0 327.472 4.203 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1OC ZINC000539851468 1040840157 /nfs/dbraw/zinc/84/01/57/1040840157.db2.gz WGXLUWDRFZEFAF-VQIMIIECSA-N 1 0 333.497 4.120 20 30 EIEDRO COCc1csc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000595076756 1040857188 /nfs/dbraw/zinc/85/71/88/1040857188.db2.gz JGZSITLBAGBEGG-LJQANCHMSA-N 1 0 326.465 4.323 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(OC)cc2)cc1 ZINC000537868734 1040860671 /nfs/dbraw/zinc/86/06/71/1040860671.db2.gz NOBMDSRPMAIMPU-IERDGZPVSA-N 1 0 341.451 4.126 20 30 EIEDRO CC[C@H](c1ccncc1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000539887429 1040868620 /nfs/dbraw/zinc/86/86/20/1040868620.db2.gz PFNRDYVZSHLFRN-GOSISDBHSA-N 1 0 348.368 4.415 20 30 EIEDRO CC1CC[NH+](CCc2cccc(NC(=O)c3cccc(C#N)c3)c2)CC1 ZINC000539895800 1040870532 /nfs/dbraw/zinc/87/05/32/1040870532.db2.gz QGQAUVPGAJZJLN-UHFFFAOYSA-N 1 0 347.462 4.085 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](OCC)C23CCCC3)cc1OC ZINC000462754678 1040889996 /nfs/dbraw/zinc/88/99/96/1040889996.db2.gz JNYIHYTYKWJJAR-PMACEKPBSA-N 1 0 345.483 4.087 20 30 EIEDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000554243618 1040912803 /nfs/dbraw/zinc/91/28/03/1040912803.db2.gz OYXMUZHLLUAJAV-LBPRGKRZSA-N 1 0 341.318 4.284 20 30 EIEDRO COC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000537950083 1040915491 /nfs/dbraw/zinc/91/54/91/1040915491.db2.gz IAEWESGUHWFMKH-ORFBVSJDSA-N 1 0 334.463 4.368 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000537957677 1040926206 /nfs/dbraw/zinc/92/62/06/1040926206.db2.gz QJWKNRARDRVGKV-RRFJBIMHSA-N 1 0 329.406 4.047 20 30 EIEDRO Cc1nsc(NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000515657512 1040930648 /nfs/dbraw/zinc/93/06/48/1040930648.db2.gz WMIJFKDRYHNALF-RHSMWYFYSA-N 1 0 340.496 4.036 20 30 EIEDRO Cc1nsc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000515657514 1040932254 /nfs/dbraw/zinc/93/22/54/1040932254.db2.gz WMIJFKDRYHNALF-YOEHRIQHSA-N 1 0 340.496 4.036 20 30 EIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000537946403 1040940150 /nfs/dbraw/zinc/94/01/50/1040940150.db2.gz DDZQMZAFDCOMDR-BEFAXECRSA-N 1 0 333.435 4.267 20 30 EIEDRO CN(C)c1ncc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000538002439 1040979908 /nfs/dbraw/zinc/97/99/08/1040979908.db2.gz MTGOZKAMOCBKKE-UHFFFAOYSA-N 1 0 348.475 4.038 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000462818896 1040996412 /nfs/dbraw/zinc/99/64/12/1040996412.db2.gz LGUZJWPCFQCHNV-CSFVBSKPSA-N 1 0 333.273 4.367 20 30 EIEDRO N#CCC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000285938726 1041001915 /nfs/dbraw/zinc/00/19/15/1041001915.db2.gz DGVVPKFCCROLID-QFIPXVFZSA-N 1 0 344.462 4.162 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000436285523 1041033061 /nfs/dbraw/zinc/03/30/61/1041033061.db2.gz QDHPAUCPTFEGSR-PVAVHDDUSA-N 1 0 338.289 4.471 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1cccc(Br)c1 ZINC000436285525 1041034460 /nfs/dbraw/zinc/03/44/60/1041034460.db2.gz QDHPAUCPTFEGSR-XIRDDKMYSA-N 1 0 338.289 4.471 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(OC(F)F)cc1 ZINC000436287009 1041035781 /nfs/dbraw/zinc/03/57/81/1041035781.db2.gz IAMHFPWFDSXSLP-UAGQMJEPSA-N 1 0 325.399 4.310 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000436286844 1041037135 /nfs/dbraw/zinc/03/71/35/1041037135.db2.gz BIKUURIUORAMES-UIFIKXQLSA-N 1 0 329.484 4.497 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1Br ZINC000436287580 1041037263 /nfs/dbraw/zinc/03/72/63/1041037263.db2.gz CLXVIUUVVITBLV-JQFCIGGWSA-N 1 0 338.289 4.471 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000436289489 1041051309 /nfs/dbraw/zinc/05/13/09/1041051309.db2.gz XMQJFEIAEYPMTE-BJJXKVORSA-N 1 0 329.362 4.217 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000483880009 1041058090 /nfs/dbraw/zinc/05/80/90/1041058090.db2.gz AHTFDTJCQVULDW-IBGZPJMESA-N 1 0 349.563 4.276 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000483913287 1041064996 /nfs/dbraw/zinc/06/49/96/1041064996.db2.gz JXEYUYYQXQXHQS-UHFFFAOYSA-N 1 0 343.515 4.026 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000436300188 1041069938 /nfs/dbraw/zinc/06/99/38/1041069938.db2.gz UIZWTXOVCNUPJD-HJNYFJLDSA-N 1 0 337.463 4.355 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000436306408 1041074519 /nfs/dbraw/zinc/07/45/19/1041074519.db2.gz IBIJQGFWTGCZOB-KFNAQCHYSA-N 1 0 342.252 4.220 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1-n1cccn1 ZINC000538158468 1041100539 /nfs/dbraw/zinc/10/05/39/1041100539.db2.gz BFABONGXAUWZQR-MRXNPFEDSA-N 1 0 335.838 4.228 20 30 EIEDRO Cc1cccc(CN(CC#Cc2ccccc2)Cc2ccccn2)c1 ZINC000484099222 1041114746 /nfs/dbraw/zinc/11/47/46/1041114746.db2.gz PIHRJWOUPAHROO-UHFFFAOYSA-N 1 0 326.443 4.444 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cc1OC ZINC000538167727 1041125539 /nfs/dbraw/zinc/12/55/39/1041125539.db2.gz PHRGWJNUHJRNLH-HNNXBMFYSA-N 1 0 343.854 4.450 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000538205283 1041142959 /nfs/dbraw/zinc/14/29/59/1041142959.db2.gz RMPIMCZMPJYFFM-OALUTQOASA-N 1 0 349.478 4.289 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000538205286 1041143978 /nfs/dbraw/zinc/14/39/78/1041143978.db2.gz RMPIMCZMPJYFFM-RBUKOAKNSA-N 1 0 349.478 4.289 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000538195250 1041164825 /nfs/dbraw/zinc/16/48/25/1041164825.db2.gz OGMKDFNCWWFLRE-CZUORRHYSA-N 1 0 346.471 4.101 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000540147908 1041172877 /nfs/dbraw/zinc/17/28/77/1041172877.db2.gz ZONVTSZZDMBHER-XJKSGUPXSA-N 1 0 342.405 4.169 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000538260647 1041205901 /nfs/dbraw/zinc/20/59/01/1041205901.db2.gz HNBMCLCHAPCHDM-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO CCOc1ccc(C(C)=O)cc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425536646 1041211422 /nfs/dbraw/zinc/21/14/22/1041211422.db2.gz PBKQCSGFJGBGAI-OAHLLOKOSA-N 1 0 336.435 4.353 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC[C@@H]2CCCC[C@H]2O)CC1 ZINC000540163621 1041226235 /nfs/dbraw/zinc/22/62/35/1041226235.db2.gz OJFDCVOMQHSOJD-PMJAUZGISA-N 1 0 340.511 4.311 20 30 EIEDRO Cn1cc(C[NH2+]CC(C)(C)c2c(Cl)cccc2Cl)cc1C#N ZINC000480358475 1041240774 /nfs/dbraw/zinc/24/07/74/1041240774.db2.gz QPHNWPKTSZTJFR-UHFFFAOYSA-N 1 0 336.266 4.271 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C(C)(C)O1 ZINC000540179839 1041241594 /nfs/dbraw/zinc/24/15/94/1041241594.db2.gz HSMCXRVFRNYFFD-FAFZWHIHSA-N 1 0 342.483 4.184 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)c1cccc(C#N)c1 ZINC000538398733 1041296081 /nfs/dbraw/zinc/29/60/81/1041296081.db2.gz UKSQVHRQNCXPAI-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO Cn1cc(C[NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)cc1C#N ZINC000480469662 1041314468 /nfs/dbraw/zinc/31/44/68/1041314468.db2.gz DAYANPWLHFDPMJ-UHFFFAOYSA-N 1 0 347.249 4.017 20 30 EIEDRO CCOc1ccc(CC[NH2+][C@H](C)c2cccc(C#N)c2)cc1OCC ZINC000538397917 1041316681 /nfs/dbraw/zinc/31/66/81/1041316681.db2.gz FHEJRGQFRACYBT-MRXNPFEDSA-N 1 0 338.451 4.249 20 30 EIEDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075768141 1041346099 /nfs/dbraw/zinc/34/60/99/1041346099.db2.gz ZCNNINGUWNYBOD-LJQANCHMSA-N 1 0 346.434 4.061 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(F)c1F ZINC000538459823 1041365162 /nfs/dbraw/zinc/36/51/62/1041365162.db2.gz MZVXMPJACNRCEE-CYBMUJFWSA-N 1 0 332.419 4.420 20 30 EIEDRO COc1ccccc1[C@H]1CCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480549270 1041379320 /nfs/dbraw/zinc/37/93/20/1041379320.db2.gz HQQCSHBJHXQDEN-HNNXBMFYSA-N 1 0 326.827 4.210 20 30 EIEDRO C=CC[N@@H+](CC(=O)Nc1ccccc1OCC)CC1CCCCC1 ZINC000484666314 1041386236 /nfs/dbraw/zinc/38/62/36/1041386236.db2.gz AEDSKNMZOXZNLH-UHFFFAOYSA-N 1 0 330.472 4.092 20 30 EIEDRO Cn1c2ccccc2cc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1=O ZINC000516086759 1041386622 /nfs/dbraw/zinc/38/66/22/1041386622.db2.gz VOFAGMXCRCBBLG-HXUWFJFHSA-N 1 0 345.446 4.063 20 30 EIEDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000366647489 1041390789 /nfs/dbraw/zinc/39/07/89/1041390789.db2.gz YFPYVCSBVJDABW-RLAPIPATSA-N 1 0 332.447 4.103 20 30 EIEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc(C#N)c(F)c1 ZINC000538507531 1041396531 /nfs/dbraw/zinc/39/65/31/1041396531.db2.gz MCQRROMGQYDVIW-LBPRGKRZSA-N 1 0 330.353 4.358 20 30 EIEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538511200 1041398499 /nfs/dbraw/zinc/39/84/99/1041398499.db2.gz QZGKCAQFUONZEI-ZIAGYGMSSA-N 1 0 340.398 4.098 20 30 EIEDRO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000463214926 1041425991 /nfs/dbraw/zinc/42/59/91/1041425991.db2.gz NFAHHUVNORPVDS-YSIASYRMSA-N 1 0 331.887 4.097 20 30 EIEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2C#N)C1 ZINC000463201569 1041427940 /nfs/dbraw/zinc/42/79/40/1041427940.db2.gz MACQGMYIZCHNAN-YGBSJELFSA-N 1 0 346.902 4.363 20 30 EIEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463244795 1041451464 /nfs/dbraw/zinc/45/14/64/1041451464.db2.gz VUWXJGMRHBJVSA-TYNCELHUSA-N 1 0 339.252 4.191 20 30 EIEDRO C[C@H](NC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000463243825 1041451699 /nfs/dbraw/zinc/45/16/99/1041451699.db2.gz UMSBRPGUYCNXNZ-CMKODMSKSA-N 1 0 325.500 4.322 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1OCCC(C)C ZINC000463280189 1041469810 /nfs/dbraw/zinc/46/98/10/1041469810.db2.gz BYDKPNFXTXDVQS-SJLPKXTDSA-N 1 0 330.472 4.292 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1OCCC(C)C ZINC000463280188 1041470198 /nfs/dbraw/zinc/47/01/98/1041470198.db2.gz BYDKPNFXTXDVQS-FUHWJXTLSA-N 1 0 330.472 4.292 20 30 EIEDRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463294186 1041480839 /nfs/dbraw/zinc/48/08/39/1041480839.db2.gz CBDLKLIKZMYWMO-MCIONIFRSA-N 1 0 326.362 4.145 20 30 EIEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540591067 1041548037 /nfs/dbraw/zinc/54/80/37/1041548037.db2.gz FFZIVOYRINLVMC-YADHBBJMSA-N 1 0 339.527 4.327 20 30 EIEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463448231 1041571620 /nfs/dbraw/zinc/57/16/20/1041571620.db2.gz KHQZAGILZURSKV-CABCVRRESA-N 1 0 332.410 4.140 20 30 EIEDRO C[C@@H]([NH2+]CCCN(C)c1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000540707359 1041606946 /nfs/dbraw/zinc/60/69/46/1041606946.db2.gz WPIYBIQGEGXXMH-CQSZACIVSA-N 1 0 329.394 4.014 20 30 EIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000463564575 1041629717 /nfs/dbraw/zinc/62/97/17/1041629717.db2.gz QKUGLPBGNKNXSI-WMLDXEAASA-N 1 0 338.426 4.477 20 30 EIEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437089729 1041636533 /nfs/dbraw/zinc/63/65/33/1041636533.db2.gz HPIDSJIRCYZXNC-RCDYEMGKSA-N 1 0 327.472 4.058 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000437084856 1041647374 /nfs/dbraw/zinc/64/73/74/1041647374.db2.gz DBAPDLDGYBYZLG-CBNMVNINSA-N 1 0 347.462 4.384 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1Cl ZINC000540768574 1041657866 /nfs/dbraw/zinc/65/78/66/1041657866.db2.gz RUSRLVBWEHGVRV-GOSISDBHSA-N 1 0 335.875 4.296 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289444529 1041761099 /nfs/dbraw/zinc/76/10/99/1041761099.db2.gz WVOYDLJTBUJZSQ-UHFFFAOYSA-N 1 0 337.442 4.344 20 30 EIEDRO N#Cc1c(Cl)cccc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000506034925 1041768733 /nfs/dbraw/zinc/76/87/33/1041768733.db2.gz BWGOESADCUIKKT-UHFFFAOYSA-N 1 0 325.843 4.072 20 30 EIEDRO CCCC[C@H](CC)CN1CCO[C@@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001280183630 1041775050 /nfs/dbraw/zinc/77/50/50/1041775050.db2.gz ADTBZSDUBKGULW-LEWJYISDSA-N 1 0 349.563 4.063 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000437425386 1041797874 /nfs/dbraw/zinc/79/78/74/1041797874.db2.gz GRKBMZFRXNMDGJ-INIZCTEOSA-N 1 0 328.362 4.149 20 30 EIEDRO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541084351 1041805292 /nfs/dbraw/zinc/80/52/92/1041805292.db2.gz GUYDBMPRPAGJHU-INIZCTEOSA-N 1 0 349.478 4.181 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2cnc(C)cn2)C(C)(C)C)cc1 ZINC000506050506 1041805654 /nfs/dbraw/zinc/80/56/54/1041805654.db2.gz BVKJSNIJXGLFTF-UHFFFAOYSA-N 1 0 325.456 4.151 20 30 EIEDRO C=C(C)COc1cc(CN2CCCC[C@H]2c2cc[nH]n2)ccc1OC ZINC000517037688 1041844522 /nfs/dbraw/zinc/84/45/22/1041844522.db2.gz HWMXXKPDURXUSE-SFHVURJKSA-N 1 0 341.455 4.100 20 30 EIEDRO CCC[N@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccc(C#N)cc1 ZINC000437594807 1041846904 /nfs/dbraw/zinc/84/69/04/1041846904.db2.gz WYXFGWIDTSEJGR-UHFFFAOYSA-N 1 0 336.464 4.422 20 30 EIEDRO C=CCOc1ccc(C[N@H+](Cc2ccc(C#N)cn2)C(C)(C)C)cc1 ZINC000517168169 1041887251 /nfs/dbraw/zinc/88/72/51/1041887251.db2.gz PUZFXRHVNFMOBW-UHFFFAOYSA-N 1 0 335.451 4.319 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(CC#N)cc1 ZINC000541349690 1041899607 /nfs/dbraw/zinc/89/96/07/1041899607.db2.gz GBIGWLGLLDUGQP-UHFFFAOYSA-N 1 0 344.462 4.207 20 30 EIEDRO C[N@H+](CCOc1c(Cl)cccc1Cl)Cc1cccc(C#N)c1 ZINC000506129595 1041908247 /nfs/dbraw/zinc/90/82/47/1041908247.db2.gz AMSIENDMAJTIPD-UHFFFAOYSA-N 1 0 335.234 4.376 20 30 EIEDRO Cc1ccc(Sc2ccc(C[NH2+]CCCC#N)cc2[N+](=O)[O-])cc1 ZINC000541381924 1041920797 /nfs/dbraw/zinc/92/07/97/1041920797.db2.gz KZALDYDOSBAOLZ-UHFFFAOYSA-N 1 0 341.436 4.448 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000517304275 1041949647 /nfs/dbraw/zinc/94/96/47/1041949647.db2.gz BUJQTOZLUJABIT-UHFFFAOYSA-N 1 0 346.540 4.177 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@@H](CC(C)C)c2cccs2)c1C#N ZINC000541627379 1042044750 /nfs/dbraw/zinc/04/47/50/1042044750.db2.gz WUZMASSOJANDOY-KRWDZBQOSA-N 1 0 342.464 4.283 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000464655556 1042107647 /nfs/dbraw/zinc/10/76/47/1042107647.db2.gz IEGHABYLKGLDBC-CMKODMSKSA-N 1 0 328.500 4.273 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000464655555 1042107992 /nfs/dbraw/zinc/10/79/92/1042107992.db2.gz IEGHABYLKGLDBC-BJLQDIEVSA-N 1 0 328.500 4.273 20 30 EIEDRO CC1(C)CCCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000438375251 1042161272 /nfs/dbraw/zinc/16/12/72/1042161272.db2.gz QJYGCEJLOCGOHN-UHFFFAOYSA-N 1 0 336.483 4.476 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCOCCc1ccccc1 ZINC000464818144 1042176307 /nfs/dbraw/zinc/17/63/07/1042176307.db2.gz KELOSUBCMFMBLB-PKTZIBPZSA-N 1 0 348.490 4.408 20 30 EIEDRO N#CCC1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000541948098 1042192758 /nfs/dbraw/zinc/19/27/58/1042192758.db2.gz GAHVXKJXOVELRQ-UHFFFAOYSA-N 1 0 340.389 4.490 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]CC2CCCCCC2)CC1 ZINC000438483759 1042203174 /nfs/dbraw/zinc/20/31/74/1042203174.db2.gz FOEPNSPDUFEVTL-UHFFFAOYSA-N 1 0 327.472 4.203 20 30 EIEDRO Cc1ccnc(NCc2ccccc2C[NH+]2CCCCCC2)c1C#N ZINC000542209769 1042346723 /nfs/dbraw/zinc/34/67/23/1042346723.db2.gz OXXZIMNGJQEEJD-UHFFFAOYSA-N 1 0 334.467 4.250 20 30 EIEDRO C=CCOc1ccc(CN(C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000506381073 1042370328 /nfs/dbraw/zinc/37/03/28/1042370328.db2.gz NNIPHKVXXGKHFS-UHFFFAOYSA-N 1 0 336.907 4.209 20 30 EIEDRO Cc1ccoc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000491399753 1042440561 /nfs/dbraw/zinc/44/05/61/1042440561.db2.gz IZOWQWULCNOASA-UHFFFAOYSA-N 1 0 332.403 4.329 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccnc2ccccc12 ZINC000518271161 1042444088 /nfs/dbraw/zinc/44/40/88/1042444088.db2.gz HPVVCTBPYHLLMM-UHFFFAOYSA-N 1 0 333.460 4.129 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccccc2CO)cc1 ZINC000151811862 1042504719 /nfs/dbraw/zinc/50/47/19/1042504719.db2.gz DWFVOWHZAAOULW-HNNXBMFYSA-N 1 0 331.843 4.161 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C2CCC(C(C)(C)C)CC2)CC1 ZINC000518512856 1042556148 /nfs/dbraw/zinc/55/61/48/1042556148.db2.gz CFRLOPFBVUJVGD-UHFFFAOYSA-N 1 0 349.563 4.273 20 30 EIEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000492090148 1042556523 /nfs/dbraw/zinc/55/65/23/1042556523.db2.gz YPPVSWJPNSMGKF-INIZCTEOSA-N 1 0 345.240 4.327 20 30 EIEDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000492101290 1042560283 /nfs/dbraw/zinc/56/02/83/1042560283.db2.gz BDIMZJWFYWEODH-JXFKEZNVSA-N 1 0 340.492 4.157 20 30 EIEDRO C[C@@H](c1ccccc1Br)[N@H+](C)CCCSCC#N ZINC000173874382 1042621483 /nfs/dbraw/zinc/62/14/83/1042621483.db2.gz AHKSCTPFFKQFQD-LBPRGKRZSA-N 1 0 327.291 4.089 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c(Cl)c1 ZINC000439443849 1042626940 /nfs/dbraw/zinc/62/69/40/1042626940.db2.gz ARZDVZXXOFPZPT-MJGOQNOKSA-N 1 0 326.827 4.079 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000439603905 1042706902 /nfs/dbraw/zinc/70/69/02/1042706902.db2.gz YOVSIUKDPJLCLF-JKSUJKDBSA-N 1 0 334.529 4.210 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)ccc1C#N ZINC000443984215 1042717882 /nfs/dbraw/zinc/71/78/82/1042717882.db2.gz IDLPZBSNYSJLFU-UHFFFAOYSA-N 1 0 334.341 4.098 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)ccc1C#N ZINC000443975409 1042717936 /nfs/dbraw/zinc/71/79/36/1042717936.db2.gz ZYNKSMWKINMOBD-UHFFFAOYSA-N 1 0 348.368 4.235 20 30 EIEDRO Cc1cc(C[NH2+]CCc2csc(-c3ccccc3)n2)ccc1C#N ZINC000443988444 1042724295 /nfs/dbraw/zinc/72/42/95/1042724295.db2.gz ZRSIVWXHAZKVGF-UHFFFAOYSA-N 1 0 333.460 4.323 20 30 EIEDRO C[C@H]([NH2+]Cc1ccncc1OCc1ccccc1)c1ccc(C#N)cc1 ZINC000506652306 1042735465 /nfs/dbraw/zinc/73/54/65/1042735465.db2.gz FACAIIQXFINXMP-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO Cc1cc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)ccc1C#N ZINC000443996364 1042739754 /nfs/dbraw/zinc/73/97/54/1042739754.db2.gz UAFMSHAUHCVQHM-UHFFFAOYSA-N 1 0 341.867 4.462 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000444002745 1042741362 /nfs/dbraw/zinc/74/13/62/1042741362.db2.gz PZRKRFXCJMPHKQ-XMSQKQJNSA-N 1 0 333.479 4.009 20 30 EIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444001362 1042741679 /nfs/dbraw/zinc/74/16/79/1042741679.db2.gz BTLGWTYNSRSWIJ-LIRRHRJNSA-N 1 0 328.843 4.386 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000894389660 1042792619 /nfs/dbraw/zinc/79/26/19/1042792619.db2.gz VHBBTIHPXOSNGT-UHFFFAOYSA-N 1 0 342.386 4.103 20 30 EIEDRO Fc1ccc(C#CC[NH+]2CCC(c3ccc4cccnc4n3)CC2)cc1 ZINC000653805915 1042827391 /nfs/dbraw/zinc/82/73/91/1042827391.db2.gz CWWFNZSSEOTZGR-UHFFFAOYSA-N 1 0 345.421 4.000 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(C#N)CCCCC3)cc2)C1 ZINC000057389065 1042850071 /nfs/dbraw/zinc/85/00/71/1042850071.db2.gz HEPCKTCVICQJEV-KRWDZBQOSA-N 1 0 339.483 4.331 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(C#N)CCCCC3)cc2)C1 ZINC000057389064 1042850519 /nfs/dbraw/zinc/85/05/19/1042850519.db2.gz HEPCKTCVICQJEV-QGZVFWFLSA-N 1 0 339.483 4.331 20 30 EIEDRO CC[C@@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000507767876 1042860247 /nfs/dbraw/zinc/86/02/47/1042860247.db2.gz QBAYNJHYLIHFJX-IZIZEDOESA-N 1 0 327.472 4.202 20 30 EIEDRO Cc1cc(Br)cc2c1[C@H]([NH2+]Cc1cccc(C#N)c1)CC2 ZINC000493843200 1042965038 /nfs/dbraw/zinc/96/50/38/1042965038.db2.gz KKFLRXXTLKTOKE-QGZVFWFLSA-N 1 0 341.252 4.406 20 30 EIEDRO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000487397847 1043024318 /nfs/dbraw/zinc/02/43/18/1043024318.db2.gz JAABBSOXTVYJFV-UHFFFAOYSA-N 1 0 330.472 4.041 20 30 EIEDRO C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000487399100 1043044366 /nfs/dbraw/zinc/04/43/66/1043044366.db2.gz QZBADZFDRQVDQD-UWJYYQICSA-N 1 0 334.463 4.450 20 30 EIEDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542947238 1043050393 /nfs/dbraw/zinc/05/03/93/1043050393.db2.gz XNQFELMMAJUWTQ-HNNXBMFYSA-N 1 0 330.435 4.118 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2C(F)(F)F)cc1 ZINC000237233433 1043056398 /nfs/dbraw/zinc/05/63/98/1043056398.db2.gz RFZVNACZXNMHEX-UHFFFAOYSA-N 1 0 349.352 4.016 20 30 EIEDRO CC1CCC([N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C2CC2)CC1 ZINC000075641499 1043073651 /nfs/dbraw/zinc/07/36/51/1043073651.db2.gz IPMQIAVOOFNPKF-UHFFFAOYSA-N 1 0 336.439 4.151 20 30 EIEDRO COc1ccccc1C[C@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)C ZINC000543497453 1043135240 /nfs/dbraw/zinc/13/52/40/1043135240.db2.gz RXLULPREKWLHEQ-IBGZPJMESA-N 1 0 326.415 4.063 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000466547587 1043136677 /nfs/dbraw/zinc/13/66/77/1043136677.db2.gz FJCCLURUWQUOHW-IBGZPJMESA-N 1 0 342.527 4.397 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C(C)(C)c1cccs1 ZINC000543506542 1043168169 /nfs/dbraw/zinc/16/81/69/1043168169.db2.gz WYKXGZANOJPDJU-UHFFFAOYSA-N 1 0 346.521 4.490 20 30 EIEDRO C=CC[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000427772514 1043194639 /nfs/dbraw/zinc/19/46/39/1043194639.db2.gz VJNAABVSXBYDPI-NYVOZVTQSA-N 1 0 348.490 4.126 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)C1 ZINC000185804113 1043219845 /nfs/dbraw/zinc/21/98/45/1043219845.db2.gz XZYLOZPAQXGIJO-VQTJNVASSA-N 1 0 344.462 4.257 20 30 EIEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185864099 1043226473 /nfs/dbraw/zinc/22/64/73/1043226473.db2.gz PRAWUQFEQUPGFS-XBFCOCLRSA-N 1 0 339.252 4.191 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cnc2ccccc2c1 ZINC000727468626 1043229157 /nfs/dbraw/zinc/22/91/57/1043229157.db2.gz VKGSQQMBXXYWBO-UHFFFAOYSA-N 1 0 333.460 4.129 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000282487649 1043242576 /nfs/dbraw/zinc/24/25/76/1043242576.db2.gz XHNIIMCAOKPEFY-WXVPWVKJSA-N 1 0 341.455 4.226 20 30 EIEDRO C[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000727640196 1043249660 /nfs/dbraw/zinc/24/96/60/1043249660.db2.gz XGRMOHVTWQCBJC-KRWDZBQOSA-N 1 0 348.446 4.462 20 30 EIEDRO C=CCn1c(C)cc(C(=O)CN2CCC[C@H]2c2ccc(O)cc2)c1C ZINC000674050304 1043353143 /nfs/dbraw/zinc/35/31/43/1043353143.db2.gz LXUFEWOFHQASIU-FQEVSTJZSA-N 1 0 338.451 4.016 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000625701125 1043357842 /nfs/dbraw/zinc/35/78/42/1043357842.db2.gz ORAJHGXGZDVCEP-NSHDSACASA-N 1 0 346.780 4.195 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000625700493 1043358630 /nfs/dbraw/zinc/35/86/30/1043358630.db2.gz ITUCTBXCJBPHFW-NSHDSACASA-N 1 0 338.238 4.441 20 30 EIEDRO N#Cc1c(F)cccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000428219527 1043381739 /nfs/dbraw/zinc/38/17/39/1043381739.db2.gz YPKOLTWHBSRGTD-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188935919 1043387368 /nfs/dbraw/zinc/38/73/68/1043387368.db2.gz ATPLYYGFVCOLKW-AWEZNQCLSA-N 1 0 340.298 4.492 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OCCCCCC)cc2)CC1 ZINC000729976937 1043422782 /nfs/dbraw/zinc/42/27/82/1043422782.db2.gz DYQPBKKGEQRXRW-UHFFFAOYSA-N 1 0 344.499 4.026 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)cc1 ZINC000520955280 1043455911 /nfs/dbraw/zinc/45/59/11/1043455911.db2.gz MOTAAGCAXOJJJL-FQEVSTJZSA-N 1 0 344.886 4.297 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CSc3ccc(Br)cc32)C1 ZINC000494445856 1043487294 /nfs/dbraw/zinc/48/72/94/1043487294.db2.gz SLXAPYXLICLCBC-MPKXVKKWSA-N 1 0 337.286 4.268 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1F ZINC000494491405 1043516558 /nfs/dbraw/zinc/51/65/58/1043516558.db2.gz CSQZMLPKZUYNRU-SJLPKXTDSA-N 1 0 348.780 4.110 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2CCC(C#N)CC2)c(Cl)c1 ZINC000282331047 1043618899 /nfs/dbraw/zinc/61/88/99/1043618899.db2.gz ODOHMOMJMZVCDZ-FHERZECASA-N 1 0 347.890 4.285 20 30 EIEDRO N#Cc1ccc(Cn2nc(C(F)(F)F)c3cnccc32)c(Cl)c1 ZINC000438920731 1043632410 /nfs/dbraw/zinc/63/24/10/1043632410.db2.gz RWBNXNLMMPYLKW-UHFFFAOYSA-N 1 0 336.704 4.023 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000658039497 1043650127 /nfs/dbraw/zinc/65/01/27/1043650127.db2.gz ZKLMRLFYEABPHC-FNHZYXHNSA-N 1 0 341.451 4.099 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000658058625 1043701693 /nfs/dbraw/zinc/70/16/93/1043701693.db2.gz CWBJGFNYQNIUDX-ZACQAIPSSA-N 1 0 330.472 4.137 20 30 EIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1ccc(OCC#N)cc1 ZINC000731211438 1043715316 /nfs/dbraw/zinc/71/53/16/1043715316.db2.gz JSRNNIJZQKXOAX-UHFFFAOYSA-N 1 0 344.842 4.143 20 30 EIEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000039292847 1043748047 /nfs/dbraw/zinc/74/80/47/1043748047.db2.gz UDTUYYWLDAEMHO-OKILXGFUSA-N 1 0 345.512 4.090 20 30 EIEDRO C=CCC1(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000191105906 1043781083 /nfs/dbraw/zinc/78/10/83/1043781083.db2.gz DVIJXAAKGNOQFS-UHFFFAOYSA-N 1 0 340.511 4.103 20 30 EIEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168705208 1043811780 /nfs/dbraw/zinc/81/17/80/1043811780.db2.gz RXINVWORUMPEDC-MRXNPFEDSA-N 1 0 335.838 4.007 20 30 EIEDRO N#CCOc1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC000731848452 1043834247 /nfs/dbraw/zinc/83/42/47/1043834247.db2.gz YGMIZYTUZLYCOI-UHFFFAOYSA-N 1 0 336.435 4.239 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2Cl)ccc1C#N ZINC000442827639 1043858742 /nfs/dbraw/zinc/85/87/42/1043858742.db2.gz LFOMGCJFGHWRQB-ORAYPTAESA-N 1 0 344.842 4.086 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000442865713 1043868290 /nfs/dbraw/zinc/86/82/90/1043868290.db2.gz GFNGXPPSZGAUQF-XHDPSFHLSA-N 1 0 326.337 4.158 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000442865611 1043869178 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Cc1c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cccc1[N+](=O)[O-] ZINC000521821597 1044010505 /nfs/dbraw/zinc/01/05/05/1044010505.db2.gz LKMBDGKOAAAJOE-UHFFFAOYSA-N 1 0 337.423 4.433 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)[C@H]2CCCCO2)ccc1OC ZINC000675157538 1044055011 /nfs/dbraw/zinc/05/50/11/1044055011.db2.gz WBQCFNCIPYJQCZ-HXUWFJFHSA-N 1 0 347.499 4.335 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N(CC#N)c2ccccc2)cc1)C(C)C ZINC000195331818 1044058771 /nfs/dbraw/zinc/05/87/71/1044058771.db2.gz FKHWSTJSDHWJTP-UHFFFAOYSA-N 1 0 335.451 4.087 20 30 EIEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000390716225 1044059150 /nfs/dbraw/zinc/05/91/50/1044059150.db2.gz YGUOJODGCRRVJZ-LJQANCHMSA-N 1 0 339.508 4.010 20 30 EIEDRO N#CCc1ccc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000543207031 1044128048 /nfs/dbraw/zinc/12/80/48/1044128048.db2.gz IUJMVQJHNMNYHW-JOCHJYFZSA-N 1 0 334.463 4.015 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000080342493 1044156025 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C[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)o1 ZINC000174298187 1044252068 /nfs/dbraw/zinc/25/20/68/1044252068.db2.gz JTPPYPNFTBNSBR-LBPRGKRZSA-N 1 0 333.229 4.025 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CCCc1ccc(Br)cc1F ZINC000174403876 1044270486 /nfs/dbraw/zinc/27/04/86/1044270486.db2.gz COGUYDQVBOPEIE-UHFFFAOYSA-N 1 0 341.268 4.440 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(N=Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000733743384 1044296496 /nfs/dbraw/zinc/29/64/96/1044296496.db2.gz OYXLAAIVYZKNOZ-KSSFIOAISA-N 1 0 330.432 4.037 20 30 EIEDRO C=CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001127302935 1044307362 /nfs/dbraw/zinc/30/73/62/1044307362.db2.gz VMGDMKJEOGLYBP-FGZHOGPDSA-N 1 0 348.490 4.332 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)ccc2OC)c1 ZINC000733800039 1044317215 /nfs/dbraw/zinc/31/72/15/1044317215.db2.gz CEGDEQMJEDJAQI-KRWDZBQOSA-N 1 0 344.842 4.319 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)o2)cc1 ZINC000766144702 1044347663 /nfs/dbraw/zinc/34/76/63/1044347663.db2.gz XAKNVVCHSBJQTJ-PBHICJAKSA-N 1 0 335.831 4.104 20 30 EIEDRO C=CCN(CC=C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000194797510 1044365139 /nfs/dbraw/zinc/36/51/39/1044365139.db2.gz BBHNAEDVOBLCDR-UHFFFAOYSA-N 1 0 334.463 4.133 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2[nH]c1=O ZINC000348090733 1044386754 /nfs/dbraw/zinc/38/67/54/1044386754.db2.gz XYXLBOPELWCGMO-UHFFFAOYSA-N 1 0 345.446 4.470 20 30 EIEDRO CC[N@H+](Cc1ccc(Br)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001204768482 1044392562 /nfs/dbraw/zinc/39/25/62/1044392562.db2.gz JHOAHLYIJGEZIM-ZDUSSCGKSA-N 1 0 344.256 4.299 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000466406572 1044397744 /nfs/dbraw/zinc/39/77/44/1044397744.db2.gz UIYBTBMJFDKYKL-SFHVURJKSA-N 1 0 338.451 4.392 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000466414530 1044412206 /nfs/dbraw/zinc/41/22/06/1044412206.db2.gz KGSVWWLRUGYYKH-UGKGYDQZSA-N 1 0 340.511 4.103 20 30 EIEDRO CCCOc1c(C[NH2+]CCc2cccc(C#N)c2)cccc1OCC ZINC000466423422 1044435061 /nfs/dbraw/zinc/43/50/61/1044435061.db2.gz CYUUSBPDNRPPFW-UHFFFAOYSA-N 1 0 338.451 4.078 20 30 EIEDRO C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168021539 1044437492 /nfs/dbraw/zinc/43/74/92/1044437492.db2.gz PWLILTROYJQQIJ-ALXJQNPVSA-N 1 0 339.508 4.151 20 30 EIEDRO C=CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000494916511 1044495020 /nfs/dbraw/zinc/49/50/20/1044495020.db2.gz TXNPNBSTFRYQDT-JOCHJYFZSA-N 1 0 348.490 4.259 20 30 EIEDRO C[N@H+](CCC1CCOCC1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000466493045 1044616566 /nfs/dbraw/zinc/61/65/66/1044616566.db2.gz MDMYALKMLDGQAQ-UHFFFAOYSA-N 1 0 334.463 4.474 20 30 EIEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2ccc(F)cc2)c1C ZINC000914693442 1044663077 /nfs/dbraw/zinc/66/30/77/1044663077.db2.gz WMQDPHDLOHRLKW-HXUWFJFHSA-N 1 0 342.462 4.174 20 30 EIEDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1OC(F)F ZINC000118392833 1044666957 /nfs/dbraw/zinc/66/69/57/1044666957.db2.gz YGESNACWNWXNAI-CYBMUJFWSA-N 1 0 346.377 4.361 20 30 EIEDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000118455444 1044672471 /nfs/dbraw/zinc/67/24/71/1044672471.db2.gz COTMCSZMXKZGDX-UYAOXDASSA-N 1 0 344.499 4.300 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CCC(C)C)C(C)(C)C)CC1 ZINC000522400685 1044707591 /nfs/dbraw/zinc/70/75/91/1044707591.db2.gz GCHQTTVCAUJIQN-GOSISDBHSA-N 1 0 337.552 4.177 20 30 EIEDRO N#Cc1ccc(C(F)(F)F)nc1NCCCCC[NH+]1CCCCC1 ZINC000522408849 1044724809 /nfs/dbraw/zinc/72/48/09/1044724809.db2.gz XUZJTGGSWAEMGY-UHFFFAOYSA-N 1 0 340.393 4.040 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1C ZINC000735309808 1044798232 /nfs/dbraw/zinc/79/82/32/1044798232.db2.gz UUSRBFXYOLMCTM-UHFFFAOYSA-N 1 0 344.842 4.191 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCC(CC#N)CC2)c1 ZINC000495221406 1044801458 /nfs/dbraw/zinc/80/14/58/1044801458.db2.gz MGNAUSPITTUWLX-UHFFFAOYSA-N 1 0 329.444 4.159 20 30 EIEDRO CCc1nc2ccccc2n1C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000093300449 1044830319 /nfs/dbraw/zinc/83/03/19/1044830319.db2.gz PEIPOIRFFGNDFP-UHFFFAOYSA-N 1 0 344.462 4.307 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+]C1CCC(C#N)CC1)CCCC2 ZINC000895657033 1044839620 /nfs/dbraw/zinc/83/96/20/1044839620.db2.gz ZVYHEKGSBBTZLB-JFUPDXTOSA-N 1 0 328.456 4.143 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[NH2+][C@H]3CCCCC34CCCC4)o2)c1 ZINC000555259477 1044853044 /nfs/dbraw/zinc/85/30/44/1044853044.db2.gz PXGWFAPDRBDCTH-KRWDZBQOSA-N 1 0 336.439 4.201 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC000735677692 1044854180 /nfs/dbraw/zinc/85/41/80/1044854180.db2.gz SYDRNSIQPQYPJT-ICSRJNTNSA-N 1 0 329.484 4.020 20 30 EIEDRO C=CCOCCC[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428927271 1044865717 /nfs/dbraw/zinc/86/57/17/1044865717.db2.gz IOYMUUHRHDJSHQ-RHSMWYFYSA-N 1 0 343.389 4.060 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000543601730 1044893369 /nfs/dbraw/zinc/89/33/69/1044893369.db2.gz YESXURHYJLQQSO-HUUCEWRRSA-N 1 0 337.305 4.220 20 30 EIEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000543603898 1044899856 /nfs/dbraw/zinc/89/98/56/1044899856.db2.gz XYJYHSJKJMFXBD-GJZGRUSLSA-N 1 0 337.305 4.220 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2cnc(-c3ccc(C)cc3)s2)CC1 ZINC000115617083 1044963077 /nfs/dbraw/zinc/96/30/77/1044963077.db2.gz UPGXXBXABIMIOJ-UHFFFAOYSA-N 1 0 341.524 4.249 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)c1 ZINC000673618984 1044977614 /nfs/dbraw/zinc/97/76/14/1044977614.db2.gz NKZASUFXDOHRFZ-MRXNPFEDSA-N 1 0 341.451 4.428 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCSC3(CCC3)C2)cc(OC)c1O ZINC000922846469 1044992595 /nfs/dbraw/zinc/99/25/95/1044992595.db2.gz VZWSMJASGWSCKV-INIZCTEOSA-N 1 0 333.497 4.037 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CCCCC(=O)OC)C(C)(C)C)cc1 ZINC001307570312 1045007463 /nfs/dbraw/zinc/00/74/63/1045007463.db2.gz GOJBGVJJOBHKHU-UHFFFAOYSA-N 1 0 333.472 4.195 20 30 EIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267931 1045023554 /nfs/dbraw/zinc/02/35/54/1045023554.db2.gz MTWKRXBAROPBBY-INIZCTEOSA-N 1 0 342.446 4.392 20 30 EIEDRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000156291321 1045034526 /nfs/dbraw/zinc/03/45/26/1045034526.db2.gz KNPYYNMKLCJWPV-CQSZACIVSA-N 1 0 329.469 4.094 20 30 EIEDRO CC(C)C[C@H]1CN(CCCc2ccccc2)CC[N@@H+]1CCCCC#N ZINC000429381751 1045049985 /nfs/dbraw/zinc/04/99/85/1045049985.db2.gz SCNXTIVNMWJEHR-QFIPXVFZSA-N 1 0 341.543 4.345 20 30 EIEDRO CCC[N@H+](CCCSCC#N)Cc1ccccc1Br ZINC000466716043 1045079987 /nfs/dbraw/zinc/07/99/87/1045079987.db2.gz FIOFOWFESQGESP-UHFFFAOYSA-N 1 0 341.318 4.308 20 30 EIEDRO CCCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CCCCC1 ZINC000555774861 1045099703 /nfs/dbraw/zinc/09/97/03/1045099703.db2.gz KLQPYBYDQIBVIO-UHFFFAOYSA-N 1 0 331.460 4.141 20 30 EIEDRO CC(C)[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000915113256 1045110525 /nfs/dbraw/zinc/11/05/25/1045110525.db2.gz SJNDPFXOYZCYBG-CWGWECIMSA-N 1 0 339.483 4.116 20 30 EIEDRO Oc1ccccc1/C=N\C[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000915113363 1045110681 /nfs/dbraw/zinc/11/06/81/1045110681.db2.gz VEYCXDAYLXKROS-PKIWBCANSA-N 1 0 328.843 4.302 20 30 EIEDRO COC1(C[C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCC1 ZINC000429429164 1045129958 /nfs/dbraw/zinc/12/99/58/1045129958.db2.gz QGNSRLBRERAYLY-IPJUCJBFSA-N 1 0 342.483 4.186 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)cc1 ZINC000509420699 1045148087 /nfs/dbraw/zinc/14/80/87/1045148087.db2.gz ZPAFHZMFSZPFMA-LJQANCHMSA-N 1 0 327.399 4.176 20 30 EIEDRO N#Cc1ccccc1/C=C\C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000915163854 1045156027 /nfs/dbraw/zinc/15/60/27/1045156027.db2.gz DZBYBEMNTMPGHE-QXMHVHEDSA-N 1 0 345.446 4.196 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000657915707 1045162498 /nfs/dbraw/zinc/16/24/98/1045162498.db2.gz NJCMJHFXELPPNE-XLIONFOSSA-N 1 0 326.484 4.034 20 30 EIEDRO N#Cc1cccc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000027235968 1045172316 /nfs/dbraw/zinc/17/23/16/1045172316.db2.gz WEXBLJFJNQBZTL-UHFFFAOYSA-N 1 0 334.419 4.232 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(COC)c1)c1ccncc1 ZINC000766018367 1045192126 /nfs/dbraw/zinc/19/21/26/1045192126.db2.gz GZINRGRTPDITEL-DNVCBOLYSA-N 1 0 326.440 4.205 20 30 EIEDRO CC[C@H](C)Oc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1OC ZINC000611254316 1045266125 /nfs/dbraw/zinc/26/61/25/1045266125.db2.gz DSUOWYSNUGOPLD-INIZCTEOSA-N 1 0 338.451 4.376 20 30 EIEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000611266440 1045269707 /nfs/dbraw/zinc/26/97/07/1045269707.db2.gz LGDGIHGEMCVUTL-HNNXBMFYSA-N 1 0 337.492 4.035 20 30 EIEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611266723 1045270439 /nfs/dbraw/zinc/27/04/39/1045270439.db2.gz DAVJLLZKPIUHDI-MJGOQNOKSA-N 1 0 326.465 4.219 20 30 EIEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611266721 1045272335 /nfs/dbraw/zinc/27/23/35/1045272335.db2.gz DAVJLLZKPIUHDI-HKUYNNGSSA-N 1 0 326.465 4.219 20 30 EIEDRO CC(C)[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000611370909 1045289952 /nfs/dbraw/zinc/28/99/52/1045289952.db2.gz DYLCHDMDJHHBIL-UHFFFAOYSA-N 1 0 347.528 4.336 20 30 EIEDRO COc1ccc(-c2cc(C[NH2+][C@H](C)c3ccc(C#N)cc3)on2)cc1 ZINC000611381566 1045292743 /nfs/dbraw/zinc/29/27/43/1045292743.db2.gz PRIFGEFGWMQESW-CQSZACIVSA-N 1 0 333.391 4.073 20 30 EIEDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)c3cccc(C#N)c3)cc2)n1 ZINC000611387454 1045294585 /nfs/dbraw/zinc/29/45/85/1045294585.db2.gz ORJLYXDORGYOPJ-KRWDZBQOSA-N 1 0 330.435 4.212 20 30 EIEDRO COc1ccc(Cl)cc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392360 1045297685 /nfs/dbraw/zinc/29/76/85/1045297685.db2.gz NIUUSSJZYUREEQ-GOSISDBHSA-N 1 0 326.827 4.387 20 30 EIEDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390688 1045297786 /nfs/dbraw/zinc/29/77/86/1045297786.db2.gz OPOYFKVGPCKXAJ-OAQYLSRUSA-N 1 0 347.462 4.464 20 30 EIEDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000611394399 1045298512 /nfs/dbraw/zinc/29/85/12/1045298512.db2.gz HLPOVZPKNSLVFE-NHCUHLMSSA-N 1 0 345.446 4.023 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2ccnc2)c1 ZINC000611393453 1045298644 /nfs/dbraw/zinc/29/86/44/1045298644.db2.gz UHZKUUXCCDUIGL-ZHRRBRCNSA-N 1 0 342.446 4.472 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1-n1cccn1 ZINC000611394013 1045298746 /nfs/dbraw/zinc/29/87/46/1045298746.db2.gz XQNFWHICPNSXGH-KKSFZXQISA-N 1 0 342.446 4.472 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000611391258 1045302442 /nfs/dbraw/zinc/30/24/42/1045302442.db2.gz LUMDPPAVBIJKLZ-HTAPYJJXSA-N 1 0 349.453 4.191 20 30 EIEDRO C[C@@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391241 1045302500 /nfs/dbraw/zinc/30/25/00/1045302500.db2.gz ICVUISGUOXNMOS-ORAYPTAESA-N 1 0 342.389 4.271 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 ZINC000611438180 1045307713 /nfs/dbraw/zinc/30/77/13/1045307713.db2.gz BMUXZPVTIICWJU-DOTOQJQBSA-N 1 0 339.870 4.389 20 30 EIEDRO C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000611476152 1045315372 /nfs/dbraw/zinc/31/53/72/1045315372.db2.gz ORKBQMDUJOHASW-AVRDEDQJSA-N 1 0 345.490 4.190 20 30 EIEDRO C[C@H](Cc1cccc(F)c1)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001168494919 1045401129 /nfs/dbraw/zinc/40/11/29/1045401129.db2.gz DUNBVJJSMPAGAE-MRXNPFEDSA-N 1 0 338.426 4.172 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2ccc(OCC)cc2)c1O ZINC000732419215 1045409112 /nfs/dbraw/zinc/40/91/12/1045409112.db2.gz CFXMEVLAUHULDU-UHFFFAOYSA-N 1 0 341.451 4.160 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cc(Cl)ccc1F ZINC001168495656 1045410681 /nfs/dbraw/zinc/41/06/81/1045410681.db2.gz FSGMAEFSBZTRPA-GFCCVEGCSA-N 1 0 345.805 4.030 20 30 EIEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000495922069 1045441893 /nfs/dbraw/zinc/44/18/93/1045441893.db2.gz NRGGETNXWMVDJV-AWEZNQCLSA-N 1 0 333.476 4.032 20 30 EIEDRO CC[N@H+](Cc1cncc(Br)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000193758729 1045462563 /nfs/dbraw/zinc/46/25/63/1045462563.db2.gz VVDMLODEHXWYMQ-CYBMUJFWSA-N 1 0 344.256 4.299 20 30 EIEDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760297 1045463569 /nfs/dbraw/zinc/46/35/69/1045463569.db2.gz HXOZFKGBMANKEP-AWEZNQCLSA-N 1 0 339.395 4.058 20 30 EIEDRO C=CCc1cc(C[N@@H+](C)Cc2ccc(OCC)cc2)c(O)c(OC)c1 ZINC000915808717 1045469675 /nfs/dbraw/zinc/46/96/75/1045469675.db2.gz YYWIFGCKBJKVAH-UHFFFAOYSA-N 1 0 341.451 4.160 20 30 EIEDRO C=CC1(CC(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)CCCCC1 ZINC001129364758 1045520435 /nfs/dbraw/zinc/52/04/35/1045520435.db2.gz SROZWOBHKWDKLM-IBGZPJMESA-N 1 0 340.511 4.423 20 30 EIEDRO Cc1cc(CNc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)ccc1C#N ZINC000767688200 1045610893 /nfs/dbraw/zinc/61/08/93/1045610893.db2.gz BPIISCQSWZZLRT-KRWDZBQOSA-N 1 0 349.478 4.199 20 30 EIEDRO C[N@H+](CCCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000067117404 1045739170 /nfs/dbraw/zinc/73/91/70/1045739170.db2.gz FSUNQBPULAQNOQ-CYBMUJFWSA-N 1 0 325.275 4.222 20 30 EIEDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768404092 1045803002 /nfs/dbraw/zinc/80/30/02/1045803002.db2.gz UWDQAUDVVPFFHI-NFOQDIRWSA-N 1 0 346.478 4.156 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3cc(C#N)cc(Cl)n3)CC2)C1 ZINC000768376021 1045803170 /nfs/dbraw/zinc/80/31/70/1045803170.db2.gz QNUPKTNUMKLNHQ-CZUORRHYSA-N 1 0 345.878 4.049 20 30 EIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000768518204 1045819023 /nfs/dbraw/zinc/81/90/23/1045819023.db2.gz STPBDESXHGOBNT-KGVIQGDOSA-N 1 0 333.479 4.119 20 30 EIEDRO C[N@H+](Cc1cccc(Br)c1)Cc1ccc(C#N)c(F)c1 ZINC000404190753 1045820182 /nfs/dbraw/zinc/82/01/82/1045820182.db2.gz DQMFDXGQHXWOSX-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)ccc1OC ZINC000768598787 1045825132 /nfs/dbraw/zinc/82/51/32/1045825132.db2.gz RPFGCIQMNHIKQS-SOLBZPMBSA-N 1 0 330.472 4.292 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/CCO[C@@H]2CCCC[C@@H]2C)c(O)c1 ZINC000915978517 1045849635 /nfs/dbraw/zinc/84/96/35/1045849635.db2.gz HOPNUVQQEXYLAV-SREWTPRASA-N 1 0 332.488 4.253 20 30 EIEDRO O[C@H](C[C@@H]1CCCCC[N@@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000792239647 1045880039 /nfs/dbraw/zinc/88/00/39/1045880039.db2.gz CYBOKXMQNOEXSX-VQTJNVASSA-N 1 0 339.504 4.468 20 30 EIEDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cnn1-c1ccccc1 ZINC000792288776 1045883964 /nfs/dbraw/zinc/88/39/64/1045883964.db2.gz NFIMASFYODMXAY-AWEZNQCLSA-N 1 0 334.398 4.042 20 30 EIEDRO CCCCCC/C(=C\c1ccccc1)C[NH+]1CCN(CC#N)CC1 ZINC000769298396 1045912367 /nfs/dbraw/zinc/91/23/67/1045912367.db2.gz NZUNNOQLJLATHG-DYTRJAOYSA-N 1 0 325.500 4.182 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001170185021 1045916468 /nfs/dbraw/zinc/91/64/68/1045916468.db2.gz SMXJOYXCMACSOL-FPOVZHCZSA-N 1 0 341.451 4.070 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000769315175 1045920448 /nfs/dbraw/zinc/92/04/48/1045920448.db2.gz GSBAUBFGKUBCML-JOCHJYFZSA-N 1 0 349.478 4.000 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000769379062 1045939931 /nfs/dbraw/zinc/93/99/31/1045939931.db2.gz IDNFGUKOPQGAMW-SFHVURJKSA-N 1 0 337.442 4.165 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCc3sccc3C2)cc1 ZINC000769387902 1045945883 /nfs/dbraw/zinc/94/58/83/1045945883.db2.gz PEIRPGGDRVYNJC-UHFFFAOYSA-N 1 0 325.481 4.046 20 30 EIEDRO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769423346 1045959540 /nfs/dbraw/zinc/95/95/40/1045959540.db2.gz FVEZHSKGMCLUTN-MRXNPFEDSA-N 1 0 337.442 4.295 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000496494173 1045963694 /nfs/dbraw/zinc/96/36/94/1045963694.db2.gz QWAPCZQMEDAFIZ-GNZRSQJKSA-N 1 0 349.519 4.228 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC001170281169 1045987083 /nfs/dbraw/zinc/98/70/83/1045987083.db2.gz WILZZGIZPFUCOC-CVEARBPZSA-N 1 0 348.453 4.080 20 30 EIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170285189 1045987245 /nfs/dbraw/zinc/98/72/45/1045987245.db2.gz RCNHXYDYWYUFTJ-XKGZKEIXSA-N 1 0 349.902 4.097 20 30 EIEDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769497486 1045997604 /nfs/dbraw/zinc/99/76/04/1045997604.db2.gz FMMRQSCNAFZCGA-XMSQKQJNSA-N 1 0 333.479 4.414 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496603485 1046001609 /nfs/dbraw/zinc/00/16/09/1046001609.db2.gz KGQMEGKZMHXLHC-RIGHFQGKSA-N 1 0 349.519 4.084 20 30 EIEDRO O/N=C/c1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001170333664 1046005406 /nfs/dbraw/zinc/00/54/06/1046005406.db2.gz QWWTYJHLKMOXNK-FBUDGSANSA-N 1 0 335.451 4.102 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2nc(C[NH3+])c3ccccc32)CC1 ZINC001170358861 1046014483 /nfs/dbraw/zinc/01/44/83/1046014483.db2.gz ATHPMMLHVNJYQT-UHFFFAOYSA-N 1 0 330.435 4.072 20 30 EIEDRO C[C@H](CN1CCC(C)CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170369490 1046019065 /nfs/dbraw/zinc/01/90/65/1046019065.db2.gz WMHBGUSGBXFUHX-JSRJAPPDSA-N 1 0 339.527 4.101 20 30 EIEDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1O ZINC000769549399 1046020263 /nfs/dbraw/zinc/02/02/63/1046020263.db2.gz QOJAFWGQPZCCAJ-RTBURBONSA-N 1 0 336.435 4.063 20 30 EIEDRO CO[C@@H]1C[C@@H]([NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)C1(C)C ZINC001170384558 1046022356 /nfs/dbraw/zinc/02/23/56/1046022356.db2.gz CRRPKWKEXKSYLQ-NHCUHLMSSA-N 1 0 348.490 4.289 20 30 EIEDRO Cn1ncc2c1cccc2C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375738 1046030858 /nfs/dbraw/zinc/03/08/58/1046030858.db2.gz DUNKMVGTQQDIMD-UHFFFAOYSA-N 1 0 344.462 4.067 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cccc4nccn43)c2)s1 ZINC000769693482 1046046054 /nfs/dbraw/zinc/04/60/54/1046046054.db2.gz QCFKCZWPVZLKEW-UHFFFAOYSA-N 1 0 344.443 4.224 20 30 EIEDRO Clc1ccc(CSc2nncn2[NH+]=C[C@@H]2CC=CCC2)cc1 ZINC000916546215 1046074781 /nfs/dbraw/zinc/07/47/81/1046074781.db2.gz GKBSFRCTTGWFFB-CYBMUJFWSA-N 1 0 332.860 4.414 20 30 EIEDRO C#C[C@H](C)[N@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000769962317 1046109442 /nfs/dbraw/zinc/10/94/42/1046109442.db2.gz WZFVQPBLKCDPDM-LBPRGKRZSA-N 1 0 329.856 4.170 20 30 EIEDRO C#CCCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000792930275 1046111151 /nfs/dbraw/zinc/11/11/51/1046111151.db2.gz CCTDPPAHHMWDQE-QGZVFWFLSA-N 1 0 325.374 4.176 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000769988846 1046123398 /nfs/dbraw/zinc/12/33/98/1046123398.db2.gz OFRSYCKOOMVOLX-CXAGYDPISA-N 1 0 337.872 4.264 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)COc2ccccc2)ccc1OC ZINC000747096075 1046126614 /nfs/dbraw/zinc/12/66/14/1046126614.db2.gz WASTWCCJACMRRE-KRWDZBQOSA-N 1 0 341.451 4.207 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)COc2ccccc2)ccc1OC ZINC000747096078 1046126676 /nfs/dbraw/zinc/12/66/76/1046126676.db2.gz WASTWCCJACMRRE-QGZVFWFLSA-N 1 0 341.451 4.207 20 30 EIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763408046 1046134035 /nfs/dbraw/zinc/13/40/35/1046134035.db2.gz NZHRTZUMUTZCBI-BHIFYINESA-N 1 0 334.463 4.250 20 30 EIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000763409952 1046137071 /nfs/dbraw/zinc/13/70/71/1046137071.db2.gz IDXVCESLBPUQIA-FKBYEOEOSA-N 1 0 334.463 4.168 20 30 EIEDRO CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000763410745 1046139571 /nfs/dbraw/zinc/13/95/71/1046139571.db2.gz OEJOEFBKNHWDSM-WOJBJXKFSA-N 1 0 338.451 4.364 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000763412036 1046144155 /nfs/dbraw/zinc/14/41/55/1046144155.db2.gz CSXJIIZNFKMWFT-XFQAVAEZSA-N 1 0 341.426 4.001 20 30 EIEDRO CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000615085954 1046150202 /nfs/dbraw/zinc/15/02/02/1046150202.db2.gz ZYRMGELFKYLYKT-FQEVSTJZSA-N 1 0 326.415 4.028 20 30 EIEDRO C[C@H]1CC(N=Nc2cccc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000793180892 1046164741 /nfs/dbraw/zinc/16/47/41/1046164741.db2.gz DNCGXQXOAIHJMB-AWEZNQCLSA-N 1 0 328.847 4.187 20 30 EIEDRO CCOc1cccc(/C=N/C[C@@H](c2cccs2)[NH+]2CCCC2)c1O ZINC000005293085 1046233406 /nfs/dbraw/zinc/23/34/06/1046233406.db2.gz LAAUVPLWRWLIJB-UOEVCUDDSA-N 1 0 344.480 4.108 20 30 EIEDRO CCOc1cc(CN(CCC#N)C(C)C)ccc1OCC(F)(F)F ZINC000536645277 1046262927 /nfs/dbraw/zinc/26/29/27/1046262927.db2.gz IHYZQIXPXPEHFZ-UHFFFAOYSA-N 1 0 344.377 4.150 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000793522914 1046264645 /nfs/dbraw/zinc/26/46/45/1046264645.db2.gz CKSCOKQCRCPCNP-SFHVURJKSA-N 1 0 328.500 4.406 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c1O ZINC000793575088 1046309331 /nfs/dbraw/zinc/30/93/31/1046309331.db2.gz SLVHUWAWDLISFH-HXUWFJFHSA-N 1 0 338.451 4.107 20 30 EIEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4ccc(F)cc4)CC3)n2c1 ZINC000497151447 1046357763 /nfs/dbraw/zinc/35/77/63/1046357763.db2.gz VVSOWLQIMCFPCH-KRWDZBQOSA-N 1 0 348.425 4.115 20 30 EIEDRO C=CCC[C@@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000273385191 1046400196 /nfs/dbraw/zinc/40/01/96/1046400196.db2.gz CCZLVZXNDOOGPC-FXAWDEMLSA-N 1 0 343.515 4.066 20 30 EIEDRO N#Cc1sc(Nc2ccc(CC[NH+]3CCCC3)cc2)nc1Cl ZINC000804441644 1046510287 /nfs/dbraw/zinc/51/02/87/1046510287.db2.gz HGXUYMJJNHNSCR-UHFFFAOYSA-N 1 0 332.860 4.050 20 30 EIEDRO CCCCCCCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000804535101 1046588962 /nfs/dbraw/zinc/58/89/62/1046588962.db2.gz HTHRRAALCOAJCV-QFIPXVFZSA-N 1 0 342.527 4.472 20 30 EIEDRO Cc1ccc(C)c([C@@H]2CN(Cc3ccc(C#N)cc3F)[C@@H](C)CO2)c1 ZINC000536680560 1046669519 /nfs/dbraw/zinc/66/95/19/1046669519.db2.gz UFIUTCDSFBRYNW-KKSFZXQISA-N 1 0 338.426 4.276 20 30 EIEDRO C[N@H+](CC(=O)Nc1ccccc1SCC#N)C1CCC(C)(C)CC1 ZINC000127534240 1046690635 /nfs/dbraw/zinc/69/06/35/1046690635.db2.gz ILEOCBNOZJHJHU-UHFFFAOYSA-N 1 0 345.512 4.141 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(OCC3CC3)CC2)cc1Cl ZINC000536695874 1046691788 /nfs/dbraw/zinc/69/17/88/1046691788.db2.gz CIGZMKRNSXIXDR-UHFFFAOYSA-N 1 0 335.875 4.296 20 30 EIEDRO CCCCCN(CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(C)C ZINC000917099935 1046710240 /nfs/dbraw/zinc/71/02/40/1046710240.db2.gz GKZOEWMMQZWBCL-HNNXBMFYSA-N 1 0 343.496 4.373 20 30 EIEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000917105754 1046718594 /nfs/dbraw/zinc/71/85/94/1046718594.db2.gz JKDIXDGVUHMSCJ-KRWDZBQOSA-N 1 0 338.451 4.419 20 30 EIEDRO CC[N@H+](CCC1CCN(Cc2ccc(F)cc2C#N)CC1)CC1CC1 ZINC000536736359 1046746178 /nfs/dbraw/zinc/74/61/78/1046746178.db2.gz KAGPBNQGTSNSFS-UHFFFAOYSA-N 1 0 343.490 4.031 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459536145 1046751788 /nfs/dbraw/zinc/75/17/88/1046751788.db2.gz YAPIUJYABAIQIY-KRWDZBQOSA-N 1 0 332.447 4.183 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)cc1F ZINC000459548884 1046769107 /nfs/dbraw/zinc/76/91/07/1046769107.db2.gz UYUHLKCGGZQHAB-HXUWFJFHSA-N 1 0 338.426 4.081 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000536844091 1046818379 /nfs/dbraw/zinc/81/83/79/1046818379.db2.gz FXOYQIPGYXSBJC-DZKIICNBSA-N 1 0 329.406 4.047 20 30 EIEDRO C=C(Cl)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000786582648 1046850381 /nfs/dbraw/zinc/85/03/81/1046850381.db2.gz XXEKDMSCALNTAR-OAHLLOKOSA-N 1 0 344.680 4.259 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000459735719 1046867479 /nfs/dbraw/zinc/86/74/79/1046867479.db2.gz UBZCKVQNGCZUKI-UHFFFAOYSA-N 1 0 332.245 4.027 20 30 EIEDRO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000497602741 1046885125 /nfs/dbraw/zinc/88/51/25/1046885125.db2.gz MPKSUYICQYZDHU-OAHLLOKOSA-N 1 0 341.405 4.110 20 30 EIEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001170480518 1046890445 /nfs/dbraw/zinc/89/04/45/1046890445.db2.gz NQPSACFLNQERFZ-GOSISDBHSA-N 1 0 333.863 4.051 20 30 EIEDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCOc2ccccc2C#N)C2CC2)o1 ZINC000497613098 1046891073 /nfs/dbraw/zinc/89/10/73/1046891073.db2.gz VXLJHVZBLVQEAQ-DNVCBOLYSA-N 1 0 336.435 4.318 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000536999171 1046891105 /nfs/dbraw/zinc/89/11/05/1046891105.db2.gz AZQPJWAIDUMPIF-GOSISDBHSA-N 1 0 349.316 4.067 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc2c(cc1O)CCCC2 ZINC000787028154 1046894486 /nfs/dbraw/zinc/89/44/86/1046894486.db2.gz UMIJNGYORPUQES-LHSJRXKWSA-N 1 0 332.447 4.481 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787035639 1046895947 /nfs/dbraw/zinc/89/59/47/1046895947.db2.gz NAVOGFBOJCXEBZ-MOPGFXCFSA-N 1 0 344.817 4.051 20 30 EIEDRO CC[N@H+](CC(=O)N(CC(C)C)CC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620363 1046896907 /nfs/dbraw/zinc/89/69/07/1046896907.db2.gz NKUUOLMYZDRORR-SFHVURJKSA-N 1 0 343.515 4.082 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)ccc1OC(C)C ZINC000537053689 1046919543 /nfs/dbraw/zinc/91/95/43/1046919543.db2.gz ZVZUEPIYDYGNIN-INIZCTEOSA-N 1 0 341.426 4.324 20 30 EIEDRO N#Cc1ccccc1-c1ccc(CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000537092774 1046938633 /nfs/dbraw/zinc/93/86/33/1046938633.db2.gz IVIIOXBNTIEJOH-UHFFFAOYSA-N 1 0 345.490 4.189 20 30 EIEDRO C[NH+](C)[C@H](C/N=C/c1c(O)ccc2ccccc21)c1ccc(F)cc1 ZINC000917557241 1046996325 /nfs/dbraw/zinc/99/63/25/1046996325.db2.gz CDQBYPMRADIAKM-VMHRPQTGSA-N 1 0 336.410 4.406 20 30 EIEDRO CC[C@@H]1CC([N@H+](CC)CCC#N)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170491624 1047051269 /nfs/dbraw/zinc/05/12/69/1047051269.db2.gz KPSABPPWYJNLNS-HZPDHXFCSA-N 1 0 337.508 4.179 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCOc2cccc(Cl)c2Cl)s1 ZINC000537275050 1047065817 /nfs/dbraw/zinc/06/58/17/1047065817.db2.gz HIJUUKLAKWMGIG-UHFFFAOYSA-N 1 0 327.236 4.095 20 30 EIEDRO Cc1cc(Br)cc(C)c1C[NH2+]Cc1ccc(C#N)s1 ZINC000537295367 1047079056 /nfs/dbraw/zinc/07/90/56/1047079056.db2.gz YYJBRGPYIMJFCU-UHFFFAOYSA-N 1 0 335.270 4.289 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000537307554 1047093788 /nfs/dbraw/zinc/09/37/88/1047093788.db2.gz ACGIHKPBBCCBEC-KGLIPLIRSA-N 1 0 338.879 4.400 20 30 EIEDRO C#CCC1(C(=O)N2CCC(CCC[NH+](CC)CC)CC2)CCCCC1 ZINC000788249256 1047141383 /nfs/dbraw/zinc/14/13/83/1047141383.db2.gz TUTUFJJCDRQFSL-UHFFFAOYSA-N 1 0 346.559 4.321 20 30 EIEDRO C=CCc1cc(C[NH2+]C2CCC3(CCCO3)CC2)cc(OC)c1OC ZINC000788244171 1047142055 /nfs/dbraw/zinc/14/20/55/1047142055.db2.gz NONUOHPHKONQDP-UHFFFAOYSA-N 1 0 345.483 4.014 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537400824 1047195758 /nfs/dbraw/zinc/19/57/58/1047195758.db2.gz KDMVODUQKWRNFW-IIBYNOLFSA-N 1 0 339.458 4.431 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788476104 1047197159 /nfs/dbraw/zinc/19/71/59/1047197159.db2.gz YUUPHUXQHNKSER-UHFFFAOYSA-N 1 0 327.359 4.018 20 30 EIEDRO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccc(C#N)c(F)c1 ZINC000537405746 1047197957 /nfs/dbraw/zinc/19/79/57/1047197957.db2.gz SNLFKVDHKXUYGX-LBPRGKRZSA-N 1 0 331.460 4.345 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000537408377 1047201175 /nfs/dbraw/zinc/20/11/75/1047201175.db2.gz XJHKSCSSYKPILZ-KGLIPLIRSA-N 1 0 342.414 4.435 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)c1 ZINC000788537354 1047215555 /nfs/dbraw/zinc/21/55/55/1047215555.db2.gz JRHWGTNWGFQKGD-LEWJYISDSA-N 1 0 325.452 4.099 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)cc1 ZINC000788538441 1047216209 /nfs/dbraw/zinc/21/62/09/1047216209.db2.gz MRDBZILIMVSHHW-RTWAWAEBSA-N 1 0 325.452 4.099 20 30 EIEDRO C=C(Br)CN(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000729542553 1047247624 /nfs/dbraw/zinc/24/76/24/1047247624.db2.gz LVNBBVWYOOOLOI-DOTOQJQBSA-N 1 0 337.305 4.052 20 30 EIEDRO C=CCN(C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(C)C ZINC000918067308 1047313105 /nfs/dbraw/zinc/31/31/05/1047313105.db2.gz AWISVXGUUSJSRA-GOSISDBHSA-N 1 0 349.906 4.083 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC000897589687 1047314735 /nfs/dbraw/zinc/31/47/35/1047314735.db2.gz SZGOAKLZCCZUQL-QGZVFWFLSA-N 1 0 345.446 4.229 20 30 EIEDRO C=CC[C@@H]([NH2+]Cc1nc2ccc(OC)cc2s1)c1ccncc1 ZINC000788962863 1047336367 /nfs/dbraw/zinc/33/63/67/1047336367.db2.gz KKENNPKKJJLBDP-OAHLLOKOSA-N 1 0 325.437 4.107 20 30 EIEDRO Cc1ccc(-c2ccc(C[NH+]3CCC4(CC3)CC(=O)C=CO4)o2)cc1 ZINC000897601906 1047356094 /nfs/dbraw/zinc/35/60/94/1047356094.db2.gz ATLCSKLDRWFDGH-UHFFFAOYSA-N 1 0 337.419 4.093 20 30 EIEDRO C[C@H](C1CC1)[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000385763497 1047397647 /nfs/dbraw/zinc/39/76/47/1047397647.db2.gz ZRQNLVWBHCTNPV-QGZVFWFLSA-N 1 0 347.462 4.188 20 30 EIEDRO C=CCCC1(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000476193705 1047420329 /nfs/dbraw/zinc/42/03/29/1047420329.db2.gz PQHQGQDTVNIWFH-FQEVSTJZSA-N 1 0 340.511 4.103 20 30 EIEDRO C[NH+](C)[C@@H](C/N=C\c1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000746816227 1047428046 /nfs/dbraw/zinc/42/80/46/1047428046.db2.gz OOZQGHHHTJRPLL-OBLBUWMUSA-N 1 0 337.250 4.421 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)c1ccc(C#N)cc1 ZINC000556063870 1047429490 /nfs/dbraw/zinc/42/94/90/1047429490.db2.gz NWKNIASRBLQREW-FQEVSTJZSA-N 1 0 335.451 4.394 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(NC(=O)C(C)C)cc1)c1ccc(C#N)cc1 ZINC000556063875 1047430461 /nfs/dbraw/zinc/43/04/61/1047430461.db2.gz NWKNIASRBLQREW-HXUWFJFHSA-N 1 0 335.451 4.394 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCSC(C)(C)C2)cc1OCCCC#N ZINC000897799920 1047485226 /nfs/dbraw/zinc/48/52/26/1047485226.db2.gz MBKYQZHBZYQOJQ-INIZCTEOSA-N 1 0 348.512 4.142 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000897882973 1047499344 /nfs/dbraw/zinc/49/93/44/1047499344.db2.gz YRNFNEZQVBJCRR-FRFSOERESA-N 1 0 342.389 4.291 20 30 EIEDRO C=C(CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000455867918 1047532996 /nfs/dbraw/zinc/53/29/96/1047532996.db2.gz VNZOBTNJPKXMFF-FQEVSTJZSA-N 1 0 335.451 4.070 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N=Nc3nccnc3C3CCC3)CC2)C1 ZINC000807993572 1047566840 /nfs/dbraw/zinc/56/68/40/1047566840.db2.gz AMWIDMDHZDVYFN-QAPCUYQASA-N 1 0 341.503 4.187 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)CC1 ZINC000106040854 1047658512 /nfs/dbraw/zinc/65/85/12/1047658512.db2.gz HOBKGUCQTIHOFN-UHFFFAOYSA-N 1 0 347.462 4.091 20 30 EIEDRO C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000556598608 1047838321 /nfs/dbraw/zinc/83/83/21/1047838321.db2.gz RDNVWWAPGVMEET-VFNWGFHPSA-N 1 0 330.435 4.009 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccnn1-c1ccccc1 ZINC000556610500 1047840097 /nfs/dbraw/zinc/84/00/97/1047840097.db2.gz ZZQWNHCBGIMUIB-INIZCTEOSA-N 1 0 328.419 4.084 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000824423841 1047867573 /nfs/dbraw/zinc/86/75/73/1047867573.db2.gz VMUNBRZVQVFBQV-AFJQURTJSA-N 1 0 339.483 4.327 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)ccc1OC ZINC000747915824 1047877952 /nfs/dbraw/zinc/87/79/52/1047877952.db2.gz NUCDHHDYJXIZSH-IDCNUPLLSA-N 1 0 330.472 4.290 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1F ZINC000747923402 1047887221 /nfs/dbraw/zinc/88/72/21/1047887221.db2.gz KKNYJCLTIPBRFZ-UHFFFAOYSA-N 1 0 337.442 4.322 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)cc2)CC1 ZINC000824656794 1047895903 /nfs/dbraw/zinc/89/59/03/1047895903.db2.gz MTIWSDFBKXYPPJ-YADHBBJMSA-N 1 0 346.474 4.330 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000824683509 1047901219 /nfs/dbraw/zinc/90/12/19/1047901219.db2.gz MXEVJEMITQSAFO-LPHOPBHVSA-N 1 0 336.435 4.143 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H](c2ccccc2)C2CC2)cc1 ZINC000814297991 1047960232 /nfs/dbraw/zinc/96/02/32/1047960232.db2.gz NGDGBTJQPFROTO-JOCHJYFZSA-N 1 0 333.479 4.320 20 30 EIEDRO Cc1ccc2c(C[N@@H+]3CCC[C@H](Oc4ccccc4C#N)C3)c[nH]c2c1 ZINC001136974765 1048007853 /nfs/dbraw/zinc/00/78/53/1048007853.db2.gz MIXGACXEMLXLBO-IBGZPJMESA-N 1 0 345.446 4.391 20 30 EIEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3c[nH]c4cccc(F)c34)C2)cc1 ZINC001136988765 1048035665 /nfs/dbraw/zinc/03/56/65/1048035665.db2.gz SBLFYYWCDFXFOS-GOSISDBHSA-N 1 0 349.409 4.222 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@](C)(Cc2ccccc2)C2CC2)cc1 ZINC000825321880 1048069254 /nfs/dbraw/zinc/06/92/54/1048069254.db2.gz PXQMOAVODXDBMN-JTSKRJEESA-N 1 0 334.463 4.478 20 30 EIEDRO C=CCCC[C@H](C(=O)NCCC1CC[NH+](CC)CC1)c1ccccc1 ZINC001137024686 1048076036 /nfs/dbraw/zinc/07/60/36/1048076036.db2.gz JSWHIDPIJINXID-NRFANRHFSA-N 1 0 342.527 4.365 20 30 EIEDRO COc1cc(C[NH2+]C2CC(c3ccccc3Cl)C2)ccc1C#N ZINC000556877312 1048082408 /nfs/dbraw/zinc/08/24/08/1048082408.db2.gz GJRKDQZUUXOVDB-UHFFFAOYSA-N 1 0 326.827 4.256 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1C(F)(F)F ZINC001143638639 1048129539 /nfs/dbraw/zinc/12/95/39/1048129539.db2.gz XPGVPBRFFIGFLT-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO C=C1CCC(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC001143678940 1048150481 /nfs/dbraw/zinc/15/04/81/1048150481.db2.gz BIUAEDNZGHJIKH-HXUWFJFHSA-N 1 0 326.484 4.076 20 30 EIEDRO [NH2+]=C(N[C@@H]1CCc2cc(Cl)ccc2C1)c1ccc2ccccc2n1 ZINC001171104973 1048195061 /nfs/dbraw/zinc/19/50/61/1048195061.db2.gz LXYMJUDSMSLHTP-QGZVFWFLSA-N 1 0 335.838 4.151 20 30 EIEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1-n1ccc2cccc(C[NH3+])c21 ZINC001160453815 1048296581 /nfs/dbraw/zinc/29/65/81/1048296581.db2.gz PZWLDFVJIAIVKW-UHFFFAOYSA-N 1 0 342.377 4.162 20 30 EIEDRO C[C@H](CCSc1ccccc1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366256 1048304863 /nfs/dbraw/zinc/30/48/63/1048304863.db2.gz LQLNECKFKJNBKB-UZLBHIALSA-N 1 0 340.492 4.094 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000815083364 1048324007 /nfs/dbraw/zinc/32/40/07/1048324007.db2.gz OFEPYPLLUAADLJ-QGZVFWFLSA-N 1 0 348.324 4.468 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)C2Cc3ccccc3C2)c1O ZINC000919950449 1048333301 /nfs/dbraw/zinc/33/33/01/1048333301.db2.gz NOOZLEBSOACKGC-UHFFFAOYSA-N 1 0 337.463 4.119 20 30 EIEDRO Cc1c(C[NH2+]Cc2ccc(C#N)cn2)sc2c1cccc2Cl ZINC000815136637 1048361565 /nfs/dbraw/zinc/36/15/65/1048361565.db2.gz ARABYKAAMAJRFJ-UHFFFAOYSA-N 1 0 327.840 4.420 20 30 EIEDRO C=C[C@H](C)ONC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000844488245 1048362281 /nfs/dbraw/zinc/36/22/81/1048362281.db2.gz RYLMQHSWQJTBQS-HNNXBMFYSA-N 1 0 331.460 4.079 20 30 EIEDRO N#Cc1cncc(C[N@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001144079471 1048410596 /nfs/dbraw/zinc/41/05/96/1048410596.db2.gz MWWMDLVTXJFIKR-OAHLLOKOSA-N 1 0 332.234 4.250 20 30 EIEDRO N#Cc1cncc(C[NH+]2CCC(c3ccc4ccccc4c3)CC2)c1 ZINC001144079907 1048412485 /nfs/dbraw/zinc/41/24/85/1048412485.db2.gz OQZVWBFIVBOUNJ-UHFFFAOYSA-N 1 0 327.431 4.486 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000809606931 1048415945 /nfs/dbraw/zinc/41/59/45/1048415945.db2.gz JUHJGXHYCPIDKM-UHFFFAOYSA-N 1 0 332.378 4.284 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(C)cc2OCC(F)(F)F)cc1 ZINC000809628617 1048442600 /nfs/dbraw/zinc/44/26/00/1048442600.db2.gz MENQJBRVZGSMQN-UHFFFAOYSA-N 1 0 333.353 4.207 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001135010327 1048448059 /nfs/dbraw/zinc/44/80/59/1048448059.db2.gz YTESYRAJWLOEOD-HSALFYBXSA-N 1 0 340.511 4.006 20 30 EIEDRO N#Cc1csc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)c1 ZINC000809699038 1048463482 /nfs/dbraw/zinc/46/34/82/1048463482.db2.gz LXXFEXXSKQZSEA-OAQYLSRUSA-N 1 0 348.471 4.356 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(OC(F)(F)F)cc2)nc1 ZINC001144166789 1048478810 /nfs/dbraw/zinc/47/88/10/1048478810.db2.gz WGCPBEJMJQUUKT-KRWDZBQOSA-N 1 0 347.340 4.189 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000809754597 1048518188 /nfs/dbraw/zinc/51/81/88/1048518188.db2.gz CRISZOSTKXCHJD-KRWDZBQOSA-N 1 0 335.234 4.078 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@H](Cc2ccccc2Cl)C2CC2)cc1 ZINC000815591726 1048528498 /nfs/dbraw/zinc/52/84/98/1048528498.db2.gz PAZSVVBPNMNXIM-HXUWFJFHSA-N 1 0 340.854 4.353 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000809778950 1048528827 /nfs/dbraw/zinc/52/88/27/1048528827.db2.gz YYPLICQPLBOHMO-UHFFFAOYSA-N 1 0 338.451 4.391 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N=Cc2cc3ccccc3[nH]c2=O)C1 ZINC000920175623 1048573906 /nfs/dbraw/zinc/57/39/06/1048573906.db2.gz YZKLFLJJKFJMJT-SGQCMQEMSA-N 1 0 345.446 4.195 20 30 EIEDRO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](CC)CCCCCC ZINC001170592070 1048586464 /nfs/dbraw/zinc/58/64/64/1048586464.db2.gz GWINWEMFXRJCOE-HKUYNNGSSA-N 1 0 348.535 4.149 20 30 EIEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(N2CCCCC2=O)cc1 ZINC000810126288 1048638331 /nfs/dbraw/zinc/63/83/31/1048638331.db2.gz FDAMQPOOMUUYNS-MRXNPFEDSA-N 1 0 327.472 4.184 20 30 EIEDRO N#CCSCCC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000074981994 1048639193 /nfs/dbraw/zinc/63/91/93/1048639193.db2.gz GIWSWNDTHYNAPV-OAHLLOKOSA-N 1 0 339.302 4.233 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810130562 1048640684 /nfs/dbraw/zinc/64/06/84/1048640684.db2.gz VZFAFDZYKVUZTA-KRWDZBQOSA-N 1 0 347.462 4.234 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)N(CC[NH3+])c1cccc2ccccc21 ZINC001171174964 1048643546 /nfs/dbraw/zinc/64/35/46/1048643546.db2.gz GSUBUIOMCFIALK-KRWDZBQOSA-N 1 0 329.447 4.108 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001171179504 1048653295 /nfs/dbraw/zinc/65/32/95/1048653295.db2.gz SPJCHRHNMVPBHW-SFHVURJKSA-N 1 0 333.479 4.269 20 30 EIEDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000810146630 1048655350 /nfs/dbraw/zinc/65/53/50/1048655350.db2.gz UHQAHPBBKYPOBP-UHFFFAOYSA-N 1 0 347.384 4.241 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccsc1Br ZINC001171183689 1048673884 /nfs/dbraw/zinc/67/38/84/1048673884.db2.gz ISPGOKDYLVMFKB-LLVKDONJSA-N 1 0 335.270 4.103 20 30 EIEDRO COc1cnc2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc2c1 ZINC001171182788 1048674147 /nfs/dbraw/zinc/67/41/47/1048674147.db2.gz SQASPBCSGCXFQN-UHFFFAOYSA-N 1 0 343.386 4.139 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC001171189724 1048686790 /nfs/dbraw/zinc/68/67/90/1048686790.db2.gz KHHGLONVLPZHQN-YVEFUNNKSA-N 1 0 349.261 4.119 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000810225704 1048693805 /nfs/dbraw/zinc/69/38/05/1048693805.db2.gz KKOWDROQCCUNQI-RXVVDRJESA-N 1 0 331.419 4.016 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC[C@@H]1CCc2ccc3c(c21)CCO3 ZINC001171190465 1048693800 /nfs/dbraw/zinc/69/38/00/1048693800.db2.gz VEBZCTAXOOILGN-JXFKEZNVSA-N 1 0 346.474 4.134 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC001144498265 1048704070 /nfs/dbraw/zinc/70/40/70/1048704070.db2.gz FVSPCIUABHJTRI-GOSISDBHSA-N 1 0 335.447 4.119 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC001171201802 1048757555 /nfs/dbraw/zinc/75/75/55/1048757555.db2.gz RDBNUVPFJXQTIG-XCLFUZPHSA-N 1 0 326.390 4.435 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC001171202207 1048759447 /nfs/dbraw/zinc/75/94/47/1048759447.db2.gz XXSSWNQNQXGIHC-XIKOKIGWSA-N 1 0 349.261 4.119 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CCCC[NH+]1CCCC1 ZINC000920758519 1048773446 /nfs/dbraw/zinc/77/34/46/1048773446.db2.gz HIIWAPTVNVFPRL-UHFFFAOYSA-N 1 0 340.920 4.182 20 30 EIEDRO CC[N@H+](CCCNCc1ccc(O[C@H](C)C#N)cc1)C1CCCCC1 ZINC000846021884 1048788697 /nfs/dbraw/zinc/78/86/97/1048788697.db2.gz DBTFFKHMWQCEPL-GOSISDBHSA-N 1 0 343.515 4.112 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(c3ccccc3F)CCC2)cc1 ZINC000845995756 1048792116 /nfs/dbraw/zinc/79/21/16/1048792116.db2.gz GIFFOJDAJRHULP-MRXNPFEDSA-N 1 0 338.426 4.328 20 30 EIEDRO CCOc1ccc(/C=N/C[C@@H](c2ccccc2)[NH+](CC)CC)c(O)c1 ZINC000920943944 1048817758 /nfs/dbraw/zinc/81/77/58/1048817758.db2.gz MEPJHQLXWYXDMP-QCBCRBAMSA-N 1 0 340.467 4.293 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](c1ccccc1C)C1CCC(C)CC1 ZINC001144728117 1048827304 /nfs/dbraw/zinc/82/73/04/1048827304.db2.gz KFZHFVVFFBWOQG-PKUWUEBNSA-N 1 0 328.500 4.096 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001171216755 1048839816 /nfs/dbraw/zinc/83/98/16/1048839816.db2.gz KNAIPQZYXPGWRO-ZINXYGQCSA-N 1 0 338.495 4.016 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000816631670 1048852235 /nfs/dbraw/zinc/85/22/35/1048852235.db2.gz ZTEUSUYGFOARDA-JOCHJYFZSA-N 1 0 349.474 4.082 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)N1Cc2cccc(Br)c2C1 ZINC001171221842 1048857527 /nfs/dbraw/zinc/85/75/27/1048857527.db2.gz VYGJPABJFHAEGG-ZDUSSCGKSA-N 1 0 341.252 4.268 20 30 EIEDRO C=CCCCCCCCCC(=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001144798196 1048860112 /nfs/dbraw/zinc/86/01/12/1048860112.db2.gz FWQWTHDBELARPU-FQEVSTJZSA-N 1 0 343.515 4.079 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001171223326 1048861165 /nfs/dbraw/zinc/86/11/65/1048861165.db2.gz MRKWGDDQUVUJBT-XMSQKQJNSA-N 1 0 334.463 4.170 20 30 EIEDRO COc1cccc([C@H]2CCC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171233150 1048872411 /nfs/dbraw/zinc/87/24/11/1048872411.db2.gz ZHWVKXSCCHRXSS-UWJYYQICSA-N 1 0 334.463 4.377 20 30 EIEDRO C[NH+](C)CCCOc1ccc(Nc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001212253463 1048893343 /nfs/dbraw/zinc/89/33/43/1048893343.db2.gz KTYLUDYJGXPZDS-UHFFFAOYSA-N 1 0 335.451 4.316 20 30 EIEDRO O[C@@H](C[C@H]1CCCCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660865 1048899124 /nfs/dbraw/zinc/89/91/24/1048899124.db2.gz WGISLZMUVFTUKR-UXHICEINSA-N 1 0 341.426 4.139 20 30 EIEDRO CCCCCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC001171259103 1048965457 /nfs/dbraw/zinc/96/54/57/1048965457.db2.gz MUEPTXQGENOAIH-FQEVSTJZSA-N 1 0 328.500 4.006 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(OCC#N)cc1 ZINC000772960213 1048998642 /nfs/dbraw/zinc/99/86/42/1048998642.db2.gz QHEQHHMHFVHPPM-FZKQIMNGSA-N 1 0 326.827 4.060 20 30 EIEDRO CC(C)c1ccc(C(C)(C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000609358792 1049034596 /nfs/dbraw/zinc/03/45/96/1049034596.db2.gz YQADYGGPTVTUPY-UHFFFAOYSA-N 1 0 335.451 4.145 20 30 EIEDRO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000609385973 1049043511 /nfs/dbraw/zinc/04/35/11/1049043511.db2.gz ITWMFGNWKCSQAM-OAQYLSRUSA-N 1 0 333.479 4.188 20 30 EIEDRO C=C[C@H](CC)CC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001136038010 1049052502 /nfs/dbraw/zinc/05/25/02/1049052502.db2.gz XSSPQKNSUMVKSX-CRAIPNDOSA-N 1 0 336.907 4.441 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000747712905 1049058430 /nfs/dbraw/zinc/05/84/30/1049058430.db2.gz KTYJVIAKTMXTGQ-BKUYFWCQSA-N 1 0 328.843 4.261 20 30 EIEDRO CC[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CC1(C)C ZINC001171287986 1049062057 /nfs/dbraw/zinc/06/20/57/1049062057.db2.gz YVWNAQLRCUGWOM-CVEARBPZSA-N 1 0 325.374 4.351 20 30 EIEDRO CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432222 1049062168 /nfs/dbraw/zinc/06/21/68/1049062168.db2.gz UXYQFMZJUWIVMV-HNNXBMFYSA-N 1 0 326.415 4.159 20 30 EIEDRO CC(C)c1ccc([C@@H](N)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817954549 1049067749 /nfs/dbraw/zinc/06/77/49/1049067749.db2.gz YNGYNOCMEHWTIY-IERDGZPVSA-N 1 0 337.467 4.063 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1[N+](=O)[O-] ZINC000175056242 1049074587 /nfs/dbraw/zinc/07/45/87/1049074587.db2.gz VLWVPBVPMFNDHR-CABCVRRESA-N 1 0 339.395 4.045 20 30 EIEDRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135244766 1049090872 /nfs/dbraw/zinc/09/08/72/1049090872.db2.gz JWBXSDBLRDKVNL-KRWDZBQOSA-N 1 0 334.463 4.486 20 30 EIEDRO C#C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000811517578 1049100813 /nfs/dbraw/zinc/10/08/13/1049100813.db2.gz WPWVHRBYPPTJLZ-NRFANRHFSA-N 1 0 349.865 4.145 20 30 EIEDRO C[C@@H]([NH3+])CCNc1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001170895793 1049123772 /nfs/dbraw/zinc/12/37/72/1049123772.db2.gz XLBDOFRNLFKCSL-QGZVFWFLSA-N 1 0 344.462 4.400 20 30 EIEDRO N#Cc1cccc(OCCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)c1 ZINC001170905239 1049170998 /nfs/dbraw/zinc/17/09/98/1049170998.db2.gz CYLACBIQTAPWNF-QGZVFWFLSA-N 1 0 340.854 4.128 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)Cc2cccs2)ccc1OC ZINC000772984313 1049212921 /nfs/dbraw/zinc/21/29/21/1049212921.db2.gz DHPBCBDYWWOMPV-ZBFHGGJFSA-N 1 0 344.480 4.158 20 30 EIEDRO CCCC[N@@H+]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000609669993 1049252979 /nfs/dbraw/zinc/25/29/79/1049252979.db2.gz IATJCGASMWJRLC-AWEZNQCLSA-N 1 0 340.393 4.039 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)COC3)c1 ZINC000772984815 1049265899 /nfs/dbraw/zinc/26/58/99/1049265899.db2.gz QHCHOXGWVHPKQP-FOIQADDNSA-N 1 0 336.435 4.249 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000772988561 1049284348 /nfs/dbraw/zinc/28/43/48/1049284348.db2.gz RNUKBTHYRHBYBC-LJQANCHMSA-N 1 0 338.407 4.238 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CCc3ccccc3C2)c1 ZINC000609770352 1049310441 /nfs/dbraw/zinc/31/04/41/1049310441.db2.gz NIWFAIBDGIBOED-IBGZPJMESA-N 1 0 334.463 4.264 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC001171333359 1049334939 /nfs/dbraw/zinc/33/49/39/1049334939.db2.gz VXLKYSUVCVAOSJ-AEFFLSMTSA-N 1 0 346.540 4.163 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC001171333360 1049335571 /nfs/dbraw/zinc/33/55/71/1049335571.db2.gz VXLKYSUVCVAOSJ-FUHWJXTLSA-N 1 0 346.540 4.163 20 30 EIEDRO C=CC(C)(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001148727948 1049362190 /nfs/dbraw/zinc/36/21/90/1049362190.db2.gz YVKHRRFMUNTFMT-IBGZPJMESA-N 1 0 340.511 4.007 20 30 EIEDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)cc1OCCCC#N ZINC000064613531 1049367844 /nfs/dbraw/zinc/36/78/44/1049367844.db2.gz UIAJNSFYSQKICZ-QGZVFWFLSA-N 1 0 338.451 4.271 20 30 EIEDRO CC(C)CCn1cccc1C[NH2+]CCSCc1ccccc1C#N ZINC000610007745 1049478051 /nfs/dbraw/zinc/47/80/51/1049478051.db2.gz JHOOGRRNSPKPLT-UHFFFAOYSA-N 1 0 341.524 4.429 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NC(=N)c2cccnc2Cl)cc1 ZINC001171355756 1049507051 /nfs/dbraw/zinc/50/70/51/1049507051.db2.gz DIWULWRFRQYPFB-QGZVFWFLSA-N 1 0 340.858 4.495 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H]2CCc3c(F)cc(F)cc3C2)ccc1Cl ZINC001171359374 1049508696 /nfs/dbraw/zinc/50/86/96/1049508696.db2.gz CVEFDSIFNVANHF-HNNXBMFYSA-N 1 0 332.781 4.137 20 30 EIEDRO C#CCSCC[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000773011777 1049525351 /nfs/dbraw/zinc/52/53/51/1049525351.db2.gz VTCXUEFAEZEYBM-AWEZNQCLSA-N 1 0 330.522 4.059 20 30 EIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CCOc1ccc(C#N)cc1OC ZINC000610132615 1049555923 /nfs/dbraw/zinc/55/59/23/1049555923.db2.gz KZPCALIWDHCHTO-IBGZPJMESA-N 1 0 338.451 4.419 20 30 EIEDRO CC(C)(C)OC(=O)c1ccccc1C1CC[NH+](CCCC#N)CC1 ZINC000615238849 1049570214 /nfs/dbraw/zinc/57/02/14/1049570214.db2.gz UESQPSGBEGIYGI-UHFFFAOYSA-N 1 0 328.456 4.125 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)cc1C#N ZINC000773084582 1049570591 /nfs/dbraw/zinc/57/05/91/1049570591.db2.gz UILIXCLLWIBNLG-CYBMUJFWSA-N 1 0 342.464 4.148 20 30 EIEDRO Cc1nc2ccccc2n1CCCCC[N@H+](CCC#N)CC(C)C ZINC000812826498 1049587603 /nfs/dbraw/zinc/58/76/03/1049587603.db2.gz JUKXOACYGFDXMS-UHFFFAOYSA-N 1 0 326.488 4.387 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000773116023 1049588347 /nfs/dbraw/zinc/58/83/47/1049588347.db2.gz PCZQHNTVYKCVSY-QAPCUYQASA-N 1 0 338.407 4.409 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccccc2OC(F)F)c1 ZINC000821023206 1049590649 /nfs/dbraw/zinc/59/06/49/1049590649.db2.gz ZEOGNDUSVDIBIH-ZHACJKMWSA-N 1 0 331.362 4.246 20 30 EIEDRO C#C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000812795321 1049592566 /nfs/dbraw/zinc/59/25/66/1049592566.db2.gz QZLWFCWZXCCUTQ-WTOYTKOKSA-N 1 0 336.454 4.143 20 30 EIEDRO N#CC1(c2ccc(N3c4ccccc4OC[C@@H]3C[NH3+])cc2)CCCCC1 ZINC001171394724 1049609302 /nfs/dbraw/zinc/60/93/02/1049609302.db2.gz ULUJAAKUWLOVOR-IBGZPJMESA-N 1 0 347.462 4.270 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCSc2ccccc2)cc1 ZINC000237568830 1049616438 /nfs/dbraw/zinc/61/64/38/1049616438.db2.gz SYWFRCMCLNGNLT-MRXNPFEDSA-N 1 0 326.465 4.249 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC001171400146 1049621557 /nfs/dbraw/zinc/62/15/57/1049621557.db2.gz SLZYBYRCQSDQMP-LBPRGKRZSA-N 1 0 334.341 4.476 20 30 EIEDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000067962748 1049670051 /nfs/dbraw/zinc/67/00/51/1049670051.db2.gz YLZMJQWXKHYPBX-HNNXBMFYSA-N 1 0 347.418 4.326 20 30 EIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)/C=C/c3ccccc3C#N)c2C1 ZINC000179576137 1049687685 /nfs/dbraw/zinc/68/76/85/1049687685.db2.gz PBILSIQZVVOFQR-ZHACJKMWSA-N 1 0 345.446 4.182 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2(C#N)CCC2)C[C@H]1C(C)(C)C ZINC001171584585 1049750478 /nfs/dbraw/zinc/75/04/78/1049750478.db2.gz IRJZXBLJYQLVHT-CVEARBPZSA-N 1 0 349.519 4.084 20 30 EIEDRO C#CCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171592859 1049752664 /nfs/dbraw/zinc/75/26/64/1049752664.db2.gz GLOZQYSLASHLHO-DLBZAZTESA-N 1 0 336.520 4.194 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@@H]1C(C)(C)C ZINC001171616511 1049766414 /nfs/dbraw/zinc/76/64/14/1049766414.db2.gz CHUNYMHVRIOQEH-RZQQEMMASA-N 1 0 349.519 4.036 20 30 EIEDRO SCCC[NH2+]C1CCC(c2ccc(Br)cc2)CC1 ZINC001171648232 1049769972 /nfs/dbraw/zinc/76/99/72/1049769972.db2.gz RIGJJYYDUZXFAB-UHFFFAOYSA-N 1 0 328.319 4.385 20 30 EIEDRO CCCCN(C(=O)c1ccc(C#N)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000068225374 1049784831 /nfs/dbraw/zinc/78/48/31/1049784831.db2.gz ZIAGLVLPEZTOMQ-UHFFFAOYSA-N 1 0 341.499 4.110 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC001171733882 1049799833 /nfs/dbraw/zinc/79/98/33/1049799833.db2.gz JMHVEYYGZYFYPX-VOQZNFBZSA-N 1 0 333.479 4.262 20 30 EIEDRO Cc1ccc2c(CC[NH2+]Cc3cccc(OCCCC#N)c3)c[nH]c2c1 ZINC000237885507 1049800536 /nfs/dbraw/zinc/80/05/36/1049800536.db2.gz KSRJHBPFJGPSQC-UHFFFAOYSA-N 1 0 347.462 4.491 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccccc1C1(C)CC1)C(C)C ZINC001136649893 1049811259 /nfs/dbraw/zinc/81/12/59/1049811259.db2.gz IUIAMZDUYBDTFR-HXUWFJFHSA-N 1 0 340.511 4.167 20 30 EIEDRO C#CC1([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CCCCC1 ZINC001171844012 1049812376 /nfs/dbraw/zinc/81/23/76/1049812376.db2.gz HMQGOWSSNRKCTK-KRWDZBQOSA-N 1 0 346.515 4.234 20 30 EIEDRO CCCC[N@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171852751 1049813354 /nfs/dbraw/zinc/81/33/54/1049813354.db2.gz HABAZYOIHFXFEO-KRWDZBQOSA-N 1 0 349.519 4.324 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)ccc1C#N ZINC000813783694 1049815778 /nfs/dbraw/zinc/81/57/78/1049815778.db2.gz FQMMSADLCWFZRB-INIZCTEOSA-N 1 0 345.487 4.040 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000813792370 1049817564 /nfs/dbraw/zinc/81/75/64/1049817564.db2.gz XSKXVRGMCXDWCE-UHFFFAOYSA-N 1 0 338.407 4.022 20 30 EIEDRO C=CC1(CC(=O)N2CCC(C[N@@H+](C)CCCC)CC2)CCCCC1 ZINC001136660435 1049819159 /nfs/dbraw/zinc/81/91/59/1049819159.db2.gz OWJQOHOKDLWTKS-UHFFFAOYSA-N 1 0 334.548 4.484 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC001171960486 1049823574 /nfs/dbraw/zinc/82/35/74/1049823574.db2.gz AHUORACKURAPJW-AWEZNQCLSA-N 1 0 348.368 4.177 20 30 EIEDRO CC1(C)C[C@H](NCC2(C#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964860 1049826388 /nfs/dbraw/zinc/82/63/88/1049826388.db2.gz NHAAVWTWCZRGAB-LJQANCHMSA-N 1 0 325.500 4.103 20 30 EIEDRO CC1(C)C[C@@H](NCc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC001171974694 1049835585 /nfs/dbraw/zinc/83/55/85/1049835585.db2.gz AEQVPNKYPUNPLV-SFHVURJKSA-N 1 0 339.508 4.153 20 30 EIEDRO CC1(C)C[C@H](NC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171973031 1049835866 /nfs/dbraw/zinc/83/58/66/1049835866.db2.gz VDVSTJQEISINLN-LJQANCHMSA-N 1 0 325.500 4.246 20 30 EIEDRO CN(Cc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984374 1049840489 /nfs/dbraw/zinc/84/04/89/1049840489.db2.gz KUEOPINDDUVQOD-JOCHJYFZSA-N 1 0 347.506 4.433 20 30 EIEDRO N#Cc1ccccc1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066005 1049851281 /nfs/dbraw/zinc/85/12/81/1049851281.db2.gz SOEVERPCBJRVCV-NUNAXRQHSA-N 1 0 345.490 4.234 20 30 EIEDRO N#CC1(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172069621 1049853450 /nfs/dbraw/zinc/85/34/50/1049853450.db2.gz VXSWURBFOWBBHX-WKCHPHFGSA-N 1 0 337.511 4.246 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC001172304879 1049873626 /nfs/dbraw/zinc/87/36/26/1049873626.db2.gz AVSYTWBKBJUODQ-CQSZACIVSA-N 1 0 343.268 4.384 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1Br ZINC001172307883 1049874545 /nfs/dbraw/zinc/87/45/45/1049874545.db2.gz HHYOMOIWNAJXCQ-CQSZACIVSA-N 1 0 343.268 4.384 20 30 EIEDRO COc1ccc(C2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172307353 1049874835 /nfs/dbraw/zinc/87/48/35/1049874835.db2.gz OFILSYOSWOWTLZ-QGZVFWFLSA-N 1 0 334.463 4.377 20 30 EIEDRO COc1ccc(C2=CC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172312855 1049875573 /nfs/dbraw/zinc/87/55/73/1049875573.db2.gz KNJKVUFPCMGOJP-QGZVFWFLSA-N 1 0 332.447 4.287 20 30 EIEDRO COc1ccc(C2=CC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172312854 1049875930 /nfs/dbraw/zinc/87/59/30/1049875930.db2.gz KNJKVUFPCMGOJP-KRWDZBQOSA-N 1 0 332.447 4.287 20 30 EIEDRO CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172320405 1049877159 /nfs/dbraw/zinc/87/71/59/1049877159.db2.gz VDWLIVAAUZIGBM-AUSIDOKSSA-N 1 0 347.506 4.086 20 30 EIEDRO CC1CCN(c2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000823836650 1049879327 /nfs/dbraw/zinc/87/93/27/1049879327.db2.gz KPMBVGZXFRXZLA-UHFFFAOYSA-N 1 0 325.500 4.485 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(Br)c1F ZINC001172291469 1049880526 /nfs/dbraw/zinc/88/05/26/1049880526.db2.gz KAEYBKDMKGYFRC-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC001172289829 1049881121 /nfs/dbraw/zinc/88/11/21/1049881121.db2.gz ISZILSZFGHUPON-VGOFRKELSA-N 1 0 327.431 4.263 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCSCc1ccc(F)cc1 ZINC001172294390 1049881803 /nfs/dbraw/zinc/88/18/03/1049881803.db2.gz IYVGSVAUXPVBIO-HNNXBMFYSA-N 1 0 328.456 4.151 20 30 EIEDRO COc1cccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c1O ZINC000180335345 1049882577 /nfs/dbraw/zinc/88/25/77/1049882577.db2.gz CJGANMOUBXXLBZ-UHFFFAOYSA-N 1 0 344.414 4.229 20 30 EIEDRO COc1ccccc1CC1([NH2+][C@H](C)Cc2ccc(C#N)cc2)CCC1 ZINC001172299698 1049882830 /nfs/dbraw/zinc/88/28/30/1049882830.db2.gz NDMPSHOWUSFXLA-QGZVFWFLSA-N 1 0 334.463 4.253 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001172297348 1049882901 /nfs/dbraw/zinc/88/29/01/1049882901.db2.gz OMHRLBLDVMEDBC-QAPCUYQASA-N 1 0 329.447 4.133 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1cncc(Cl)c1)C1CC1 ZINC001172299435 1049882927 /nfs/dbraw/zinc/88/29/27/1049882927.db2.gz KNUIJLYVULMNMI-ORAYPTAESA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1c2ccc(F)cc2c2c1C[C@H]([NH3+])CC2 ZINC001172297177 1049882995 /nfs/dbraw/zinc/88/29/95/1049882995.db2.gz BTBRYAWNSOEQDS-RDTXWAMCSA-N 1 0 347.437 4.272 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)c2ccccc12 ZINC001172300267 1049883058 /nfs/dbraw/zinc/88/30/58/1049883058.db2.gz SSSUMZBEFKKAMP-MRXNPFEDSA-N 1 0 330.431 4.441 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000823882036 1049885191 /nfs/dbraw/zinc/88/51/91/1049885191.db2.gz IBBPITOETCEQDX-YJBCQJRQSA-N 1 0 349.519 4.132 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+][C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001172347513 1049890058 /nfs/dbraw/zinc/89/00/58/1049890058.db2.gz WEJPWRZAVMDJBD-QKLQHJQFSA-N 1 0 332.488 4.223 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+][C@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001172346200 1049890328 /nfs/dbraw/zinc/89/03/28/1049890328.db2.gz HCGJNNZJTIYUNS-MOPGFXCFSA-N 1 0 332.532 4.454 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001172345643 1049890497 /nfs/dbraw/zinc/89/04/97/1049890497.db2.gz AZAUWGJKCKNIKV-KRWDZBQOSA-N 1 0 325.518 4.319 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+][C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001172347515 1049891439 /nfs/dbraw/zinc/89/14/39/1049891439.db2.gz WEJPWRZAVMDJBD-ZWOKBUDYSA-N 1 0 332.488 4.223 20 30 EIEDRO CCCCCCC[C@H](CC)NC1(C(=O)OCC)CC[NH+](CC)CC1 ZINC001172350523 1049892239 /nfs/dbraw/zinc/89/22/39/1049892239.db2.gz OCDSODROYOBCNV-SFHVURJKSA-N 1 0 340.552 4.133 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ncc(Br)cn1 ZINC001172351095 1049892442 /nfs/dbraw/zinc/89/24/42/1049892442.db2.gz SGDOLCBICSXJGY-AWEZNQCLSA-N 1 0 328.298 4.468 20 30 EIEDRO C=C[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000823997500 1049892723 /nfs/dbraw/zinc/89/27/23/1049892723.db2.gz ZFMKDIZRMFDVEW-CGTJXYLNSA-N 1 0 330.472 4.291 20 30 EIEDRO CCCCCCC[C@H](CC)N1CCn2c(COCC3CC3)nnc2C1 ZINC001172358585 1049895192 /nfs/dbraw/zinc/89/51/92/1049895192.db2.gz QKZWYZQTRDKOGW-SFHVURJKSA-N 1 0 348.535 4.159 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]Cc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC001172491186 1049920457 /nfs/dbraw/zinc/92/04/57/1049920457.db2.gz DYRVXWYSYJELJD-OAHLLOKOSA-N 1 0 343.471 4.156 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CC1(Cc2cccnc2)CCC(F)(F)CC1 ZINC001172490865 1049920557 /nfs/dbraw/zinc/92/05/57/1049920557.db2.gz BIWRAWQOSYTINT-INIZCTEOSA-N 1 0 335.442 4.492 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H](CO)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001172489212 1049921096 /nfs/dbraw/zinc/92/10/96/1049921096.db2.gz PADXUWHLIBAJTQ-QMTHXVAHSA-N 1 0 334.769 4.064 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001172492069 1049921998 /nfs/dbraw/zinc/92/19/98/1049921998.db2.gz PYPIVZBMKOGFMD-JKSUJKDBSA-N 1 0 343.471 4.197 20 30 EIEDRO CCCC[C@@H]1C[N@@H+]([C@@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172498439 1049922632 /nfs/dbraw/zinc/92/26/32/1049922632.db2.gz MWLAXGCKZLCWMS-DLBZAZTESA-N 1 0 337.508 4.180 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCc2c(ccc(=O)n2C)C1 ZINC001172500680 1049922771 /nfs/dbraw/zinc/92/27/71/1049922771.db2.gz CEFCQLKXQYPEKP-RTBURBONSA-N 1 0 332.532 4.361 20 30 EIEDRO CC(C)Oc1ccccc1OC1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172500177 1049923488 /nfs/dbraw/zinc/92/34/88/1049923488.db2.gz KEEKTEYTIFFZBH-QGZVFWFLSA-N 1 0 330.472 4.399 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+]CC1(C(=O)OC)CCOCC1 ZINC001172504629 1049923889 /nfs/dbraw/zinc/92/38/89/1049923889.db2.gz HGIYRJJUZGDOCB-QGZVFWFLSA-N 1 0 327.509 4.075 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001172507431 1049925561 /nfs/dbraw/zinc/92/55/61/1049925561.db2.gz UINYUEHGURGJLH-HXUWFJFHSA-N 1 0 347.506 4.476 20 30 EIEDRO CCOc1ccc(C(=O)C2CC[NH+]([C@H](C)CCCC#N)CC2)cc1 ZINC001172507729 1049925801 /nfs/dbraw/zinc/92/58/01/1049925801.db2.gz YLZMGKPEAZVGAY-MRXNPFEDSA-N 1 0 328.456 4.062 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000617038594 1049944235 /nfs/dbraw/zinc/94/42/35/1049944235.db2.gz ZEBGFGLIFFUPMJ-FPOVZHCZSA-N 1 0 340.511 4.150 20 30 EIEDRO CCCC[C@H]1C[C@@H]([NH2+][C@H](CC)CC#N)CCN1C(=O)OC(C)(C)C ZINC001172640320 1049953951 /nfs/dbraw/zinc/95/39/51/1049953951.db2.gz ZQADYDUPHXESRS-IKGGRYGDSA-N 1 0 337.508 4.227 20 30 EIEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000181098995 1049990864 /nfs/dbraw/zinc/99/08/64/1049990864.db2.gz FMUSADIIKKDUQB-NSHDSACASA-N 1 0 331.453 4.027 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000084659924 1050014268 /nfs/dbraw/zinc/01/42/68/1050014268.db2.gz USUTTXMGOATRQD-UHFFFAOYSA-N 1 0 333.526 4.002 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248744975 1050076282 /nfs/dbraw/zinc/07/62/82/1050076282.db2.gz FKOQPUFVBKJVSF-JZXOWHBKSA-N 1 0 331.891 4.147 20 30 EIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248989467 1050087011 /nfs/dbraw/zinc/08/70/11/1050087011.db2.gz NBJVWDJRUFMXPE-OUCADQQQSA-N 1 0 337.261 4.191 20 30 EIEDRO C=CC[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000617779831 1050107512 /nfs/dbraw/zinc/10/75/12/1050107512.db2.gz JIOOXZUWECLXQG-SFHVURJKSA-N 1 0 326.484 4.101 20 30 EIEDRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N1CCCC1 ZINC000181397237 1050115824 /nfs/dbraw/zinc/11/58/24/1050115824.db2.gz KJUAEHYVPZKKNN-UTKZUKDTSA-N 1 0 349.478 4.055 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1 ZINC000181401727 1050116017 /nfs/dbraw/zinc/11/60/17/1050116017.db2.gz PZQPGIZMTUKCKC-KUHUBIRLSA-N 1 0 327.859 4.165 20 30 EIEDRO COc1ccccc1[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N1CCCC1 ZINC000181397319 1050116364 /nfs/dbraw/zinc/11/63/64/1050116364.db2.gz QUMMAMPMJSFIRK-UTKZUKDTSA-N 1 0 349.478 4.055 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000089728277 1050130762 /nfs/dbraw/zinc/13/07/62/1050130762.db2.gz FOOYFGTUZIVKEV-MRXNPFEDSA-N 1 0 331.847 4.267 20 30 EIEDRO O=C1C=C2C[N@H+](C3CCC(Cc4ccccc4)CC3)CCC2S1 ZINC001172822030 1050164727 /nfs/dbraw/zinc/16/47/27/1050164727.db2.gz OZUSCZATINLGNF-NKELODKYSA-N 1 0 327.493 4.062 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3ccc(C(C)(C)C#N)nc3)cc2)CC1 ZINC001212687744 1050207193 /nfs/dbraw/zinc/20/71/93/1050207193.db2.gz JLDZPRHFOCVHEH-UHFFFAOYSA-N 1 0 334.467 4.436 20 30 EIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181570376 1050215725 /nfs/dbraw/zinc/21/57/25/1050215725.db2.gz LAGBXOVSDBRSJC-ZWKOTPCHSA-N 1 0 338.451 4.324 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC001177502163 1050232567 /nfs/dbraw/zinc/23/25/67/1050232567.db2.gz ULTOHDSOUJGHSL-UHFFFAOYSA-N 1 0 337.467 4.091 20 30 EIEDRO C[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000252086544 1050242527 /nfs/dbraw/zinc/24/25/27/1050242527.db2.gz CWWWJFWKRJUEON-QWHCGFSZSA-N 1 0 325.378 4.109 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3c(F)ccc(F)c3C#N)cc2)CC1 ZINC001212692218 1050245898 /nfs/dbraw/zinc/24/58/98/1050245898.db2.gz HUOOCQPHQLXZDE-UHFFFAOYSA-N 1 0 327.378 4.389 20 30 EIEDRO N#CC12CCC([NH2+][C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)(CC1)CC2 ZINC001172912301 1050246107 /nfs/dbraw/zinc/24/61/07/1050246107.db2.gz NBOWXNODIXNASA-QHGAOEGBSA-N 1 0 339.439 4.048 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C(C)(C)C2CCCCC2)C[C@H]1C#N ZINC001172981933 1050254592 /nfs/dbraw/zinc/25/45/92/1050254592.db2.gz QGUPOERJHNZLTP-IRXDYDNUSA-N 1 0 349.519 4.227 20 30 EIEDRO C=C[C@@H]([NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001173065082 1050278442 /nfs/dbraw/zinc/27/84/42/1050278442.db2.gz UHHOFSNAFHGZMQ-BPQIPLTHSA-N 1 0 330.472 4.291 20 30 EIEDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cccc(C#N)c1 ZINC000181665724 1050294951 /nfs/dbraw/zinc/29/49/51/1050294951.db2.gz UOJIHNGRXZZSRW-AWEZNQCLSA-N 1 0 325.481 4.177 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001173086714 1050299320 /nfs/dbraw/zinc/29/93/20/1050299320.db2.gz LGOJFQVQMWXMMY-HIFRSBDPSA-N 1 0 326.362 4.142 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000181680447 1050299756 /nfs/dbraw/zinc/29/97/56/1050299756.db2.gz BYDDBNSZNXAQJE-OAHLLOKOSA-N 1 0 326.415 4.356 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001173086187 1050300373 /nfs/dbraw/zinc/30/03/73/1050300373.db2.gz MRTJQXPQGLYVDL-QEJZJMRPSA-N 1 0 326.362 4.188 20 30 EIEDRO CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181734717 1050318070 /nfs/dbraw/zinc/31/80/70/1050318070.db2.gz GYRBIDCGGGTEIN-ROUUACIJSA-N 1 0 343.515 4.140 20 30 EIEDRO C[C@H](CCC(C)(C)C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181776794 1050328125 /nfs/dbraw/zinc/32/81/25/1050328125.db2.gz VJJOJXKIRQWESU-QGZVFWFLSA-N 1 0 327.516 4.327 20 30 EIEDRO COC(=O)C(C)(C)[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1 ZINC000618302228 1050341114 /nfs/dbraw/zinc/34/11/14/1050341114.db2.gz IDJCEPGLGGBJOE-QGZVFWFLSA-N 1 0 330.472 4.237 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(OCC#N)cc1 ZINC000181843509 1050356061 /nfs/dbraw/zinc/35/60/61/1050356061.db2.gz ARKGIFWEQPUPOJ-IRXDYDNUSA-N 1 0 346.434 4.186 20 30 EIEDRO CCO[C@@H](CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CCCC1 ZINC000181849978 1050357839 /nfs/dbraw/zinc/35/78/39/1050357839.db2.gz WHYPKRAHJIZUEY-JXFKEZNVSA-N 1 0 330.472 4.225 20 30 EIEDRO CC(C)c1ccc(Nc2cccc(N3CC[NH+](C)CC3)c2)c(C#N)c1 ZINC001212714615 1050360310 /nfs/dbraw/zinc/36/03/10/1050360310.db2.gz HREJDKHPPSZYLJ-UHFFFAOYSA-N 1 0 334.467 4.177 20 30 EIEDRO C=CCN(Cc1ccccc1F)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000618418896 1050371390 /nfs/dbraw/zinc/37/13/90/1050371390.db2.gz OKZUKNVFSXNBFV-UHFFFAOYSA-N 1 0 344.430 4.089 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C)cc2O[C@@H](C)CC)cc1 ZINC001178176164 1050396050 /nfs/dbraw/zinc/39/60/50/1050396050.db2.gz GHCWVGDISLLIIH-SFHVURJKSA-N 1 0 337.463 4.474 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC001173309225 1050403782 /nfs/dbraw/zinc/40/37/82/1050403782.db2.gz TUNMKMJCUZBODX-UHFFFAOYSA-N 1 0 342.252 4.192 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cccc(N3CCCCC3)c2)CC1 ZINC001173311473 1050403999 /nfs/dbraw/zinc/40/39/99/1050403999.db2.gz JTHLEOJDYKVINP-UHFFFAOYSA-N 1 0 328.500 4.280 20 30 EIEDRO CCCCCCCCC[C@@H](CCC)[NH+]1CCC(NC(N)=O)CC1 ZINC001173284265 1050410618 /nfs/dbraw/zinc/41/06/18/1050410618.db2.gz DRRDHLUQGHZHNA-GOSISDBHSA-N 1 0 325.541 4.429 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(OC)(c3ccccc3)CC2)CC1 ZINC001173323088 1050415278 /nfs/dbraw/zinc/41/52/78/1050415278.db2.gz CGFUVKAOCIMRQP-UHFFFAOYSA-N 1 0 329.484 4.138 20 30 EIEDRO N#CCC1CCC([NH2+]CCN2CCC(Cc3ccccc3)CC2)CC1 ZINC001173324660 1050418537 /nfs/dbraw/zinc/41/85/37/1050418537.db2.gz RPQHYBQOYVEHSC-UHFFFAOYSA-N 1 0 339.527 4.003 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(Cc3cccc(OC)c3)CC2)CC1 ZINC001173326414 1050418560 /nfs/dbraw/zinc/41/85/60/1050418560.db2.gz GVGUBWIDOQADHA-UHFFFAOYSA-N 1 0 343.511 4.464 20 30 EIEDRO CC[C@H]([NH2+]CCc1c[nH]c2ccc(OC)cc12)c1ccc(C#N)cc1 ZINC000618568009 1050419188 /nfs/dbraw/zinc/41/91/88/1050419188.db2.gz IGFPIIXZYPSMIR-FQEVSTJZSA-N 1 0 333.435 4.332 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173328211 1050420071 /nfs/dbraw/zinc/42/00/71/1050420071.db2.gz RRQDHBBLJCIYSC-QXINMDOSSA-N 1 0 349.519 4.132 20 30 EIEDRO CCCC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000182015108 1050421737 /nfs/dbraw/zinc/42/17/37/1050421737.db2.gz SSZUGVTUZWCQFO-UHFFFAOYSA-N 1 0 325.500 4.083 20 30 EIEDRO COc1ccccc1CC1(C[NH2+]C2CCC(CC#N)CC2)CCC1 ZINC001173333175 1050421861 /nfs/dbraw/zinc/42/18/61/1050421861.db2.gz MIDLKTMBSOKYPM-UHFFFAOYSA-N 1 0 326.484 4.470 20 30 EIEDRO N#CCC1CCC([NH2+]CCc2ccsc2Br)CC1 ZINC001173333140 1050421928 /nfs/dbraw/zinc/42/19/28/1050421928.db2.gz ZFCVMYZQTBFDCN-UHFFFAOYSA-N 1 0 327.291 4.115 20 30 EIEDRO C[N@H+](C1CCC(CC#N)CC1)C1CCN(Cc2ccccc2)CC1 ZINC001173331041 1050422717 /nfs/dbraw/zinc/42/27/17/1050422717.db2.gz KPPBUNMWDCZYII-UHFFFAOYSA-N 1 0 325.500 4.055 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2c(F)cc(Br)cc2F)CC1 ZINC001173333221 1050423059 /nfs/dbraw/zinc/42/30/59/1050423059.db2.gz FFXUQAIECNPQOD-UHFFFAOYSA-N 1 0 343.215 4.289 20 30 EIEDRO N#CCC1CCC([NH2+]CC2(Cc3ccccc3)CCOCC2)CC1 ZINC001173333331 1050423393 /nfs/dbraw/zinc/42/33/93/1050423393.db2.gz KBGJTRVABPJIPD-UHFFFAOYSA-N 1 0 326.484 4.088 20 30 EIEDRO N#CCC1CCC([NH2+]C2(Cc3cccc(Cl)c3)CCOCC2)CC1 ZINC001173334434 1050424321 /nfs/dbraw/zinc/42/43/21/1050424321.db2.gz WJHZNHZIWJMWGF-UHFFFAOYSA-N 1 0 346.902 4.494 20 30 EIEDRO Cc1cccc(C)c1C[NH2+]Cc1cc(C#N)ccc1Br ZINC001178280481 1050425755 /nfs/dbraw/zinc/42/57/55/1050425755.db2.gz GGFFEPHADTYWAA-UHFFFAOYSA-N 1 0 329.241 4.227 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000618577521 1050425982 /nfs/dbraw/zinc/42/59/82/1050425982.db2.gz KVRDHYXRSOESTQ-BPLDGKMQSA-N 1 0 338.282 4.244 20 30 EIEDRO COc1cccc(OCC2CC[NH+](C3CCC(CC#N)CC3)CC2)c1 ZINC001173337834 1050427158 /nfs/dbraw/zinc/42/71/58/1050427158.db2.gz UEMXURZGSVWSKB-UHFFFAOYSA-N 1 0 342.483 4.258 20 30 EIEDRO C[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173337784 1050427271 /nfs/dbraw/zinc/42/72/71/1050427271.db2.gz SUEOGIDWUAATBW-LXPRWKDFSA-N 1 0 349.519 4.038 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3nc(C)sc32)cc1OC ZINC001178285177 1050428848 /nfs/dbraw/zinc/42/88/48/1050428848.db2.gz MHNQRHLFBVOXJO-HNNXBMFYSA-N 1 0 344.480 4.192 20 30 EIEDRO C=CCOC1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173314358 1050439392 /nfs/dbraw/zinc/43/93/92/1050439392.db2.gz OXOLJGPXMPAMPF-KVULBXGLSA-N 1 0 344.282 4.130 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC001173315931 1050439761 /nfs/dbraw/zinc/43/97/61/1050439761.db2.gz SZHBYURGLLCBAS-UHFFFAOYSA-N 1 0 330.291 4.114 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](Oc3cccc(OC)c3)C2)CC1 ZINC001173320457 1050440867 /nfs/dbraw/zinc/44/08/67/1050440867.db2.gz OEQYPRCXAXDBOE-WIXQSORDSA-N 1 0 345.483 4.052 20 30 EIEDRO C=CCOC1CCC([NH2+]CC(C)(C)Cc2ccc(OC)cc2)CC1 ZINC001173318779 1050441486 /nfs/dbraw/zinc/44/14/86/1050441486.db2.gz LSWOEXHZLBUCJY-UHFFFAOYSA-N 1 0 331.500 4.367 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000182090483 1050462478 /nfs/dbraw/zinc/46/24/78/1050462478.db2.gz XQSVMXANVFGLCH-CVEARBPZSA-N 1 0 338.451 4.105 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](C3Cc4cc(F)c(F)cc4C3)CC2)cc1 ZINC001173484143 1050462874 /nfs/dbraw/zinc/46/28/74/1050462874.db2.gz POTDEBGJNYFSHE-UHFFFAOYSA-N 1 0 338.401 4.183 20 30 EIEDRO Cn1cc(C[NH2+]Cc2cccc(C3CC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC001178464005 1050477604 /nfs/dbraw/zinc/47/76/04/1050477604.db2.gz URNFANZJSVNGHA-UHFFFAOYSA-N 1 0 342.446 4.126 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001173591335 1050494728 /nfs/dbraw/zinc/49/47/28/1050494728.db2.gz ZJWFSXZUTDDYEN-UHFFFAOYSA-N 1 0 340.389 4.232 20 30 EIEDRO COc1ccccc1CC1(C[NH2+]C2CCC(C)(C#N)CC2)CCC1 ZINC001173591078 1050495589 /nfs/dbraw/zinc/49/55/89/1050495589.db2.gz IXEUEQGRZYUILX-UHFFFAOYSA-N 1 0 326.484 4.470 20 30 EIEDRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173593425 1050496998 /nfs/dbraw/zinc/49/69/98/1050496998.db2.gz IXYABTUHDIOFCU-VPRUJKLYSA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173593422 1050497024 /nfs/dbraw/zinc/49/70/24/1050497024.db2.gz IXYABTUHDIOFCU-RIGHFQGKSA-N 1 0 349.519 4.084 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001173601544 1050501646 /nfs/dbraw/zinc/50/16/46/1050501646.db2.gz VKWKYYDILJJFEK-UHFFFAOYSA-N 1 0 338.373 4.416 20 30 EIEDRO CN(Cc1ccc(F)cc1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600579 1050502393 /nfs/dbraw/zinc/50/23/93/1050502393.db2.gz FMFIUISTVFEVGX-UHFFFAOYSA-N 1 0 343.490 4.194 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(OC)c(OC)c1 ZINC000618803301 1050533104 /nfs/dbraw/zinc/53/31/04/1050533104.db2.gz SKZIIQWEGIQGRI-RTBURBONSA-N 1 0 336.435 4.304 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173650362 1050534179 /nfs/dbraw/zinc/53/41/79/1050534179.db2.gz JDUOHPAABARUIV-YESZJQIVSA-N 1 0 331.456 4.024 20 30 EIEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618806033 1050536045 /nfs/dbraw/zinc/53/60/45/1050536045.db2.gz MSGVCBVLBGPBBU-KUHUBIRLSA-N 1 0 330.435 4.033 20 30 EIEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618807162 1050536189 /nfs/dbraw/zinc/53/61/89/1050536189.db2.gz SUVVUELKMNYJFV-IFXJQAMLSA-N 1 0 335.407 4.065 20 30 EIEDRO COC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000618807022 1050536464 /nfs/dbraw/zinc/53/64/64/1050536464.db2.gz UYBWKADTMKIVBT-OALUTQOASA-N 1 0 326.827 4.176 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000618807073 1050536706 /nfs/dbraw/zinc/53/67/06/1050536706.db2.gz SPOMFWJGVLZVPP-HRAATJIYSA-N 1 0 347.462 4.169 20 30 EIEDRO N#CC1CC([NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173703728 1050547459 /nfs/dbraw/zinc/54/74/59/1050547459.db2.gz SLMMHESCVZKNJC-SGDIKTSBSA-N 1 0 332.447 4.015 20 30 EIEDRO CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001178824384 1050564385 /nfs/dbraw/zinc/56/43/85/1050564385.db2.gz ZQEDMHZXPFZOPT-PKOBYXMFSA-N 1 0 336.483 4.265 20 30 EIEDRO C[Si](C)(C)c1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001178851383 1050572630 /nfs/dbraw/zinc/57/26/30/1050572630.db2.gz KAVDWYRXMNHWNH-UHFFFAOYSA-N 1 0 334.539 4.077 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000093533559 1050629516 /nfs/dbraw/zinc/62/95/16/1050629516.db2.gz GCIQQFLMMGABIG-UHFFFAOYSA-N 1 0 326.440 4.067 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(Br)cc1C#N ZINC001173930117 1050649855 /nfs/dbraw/zinc/64/98/55/1050649855.db2.gz QOVYQQOGNZIZFG-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO C=CC(C)(C)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001179515739 1050707475 /nfs/dbraw/zinc/70/74/75/1050707475.db2.gz HOFJJZGEXAMLSY-UHFFFAOYSA-N 1 0 328.359 4.278 20 30 EIEDRO C=CC(C)(C)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC001179758777 1050776788 /nfs/dbraw/zinc/77/67/88/1050776788.db2.gz NGHXTDOTEOFFPV-UHFFFAOYSA-N 1 0 333.067 4.266 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000619508332 1050793854 /nfs/dbraw/zinc/79/38/54/1050793854.db2.gz XLISGDYGMHGAKS-FZKQIMNGSA-N 1 0 346.434 4.258 20 30 EIEDRO CC[C@@H](C)Oc1cc(C[NH2+]CC2CCC(C#N)CC2)ccc1OC ZINC000619655166 1050847106 /nfs/dbraw/zinc/84/71/06/1050847106.db2.gz JSWXYHDOJVNJRP-KLAILNCOSA-N 1 0 330.472 4.292 20 30 EIEDRO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC001180023455 1050857217 /nfs/dbraw/zinc/85/72/17/1050857217.db2.gz CBPYGTMJECUHBI-UHFFFAOYSA-N 1 0 347.437 4.170 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccnn1-c1ccccc1 ZINC000619754770 1050883113 /nfs/dbraw/zinc/88/31/13/1050883113.db2.gz KHRRZDBAEFCRQO-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO CC1(C)Cc2cccc(C[NH2+]Cc3ccc(C#N)c(Cl)c3)c2O1 ZINC000619748563 1050893535 /nfs/dbraw/zinc/89/35/35/1050893535.db2.gz OAYQTRYMKYANSM-UHFFFAOYSA-N 1 0 326.827 4.215 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)c(F)c1 ZINC001180183354 1050895678 /nfs/dbraw/zinc/89/56/78/1050895678.db2.gz CBQPHUCURBYFTP-IBGZPJMESA-N 1 0 326.390 4.434 20 30 EIEDRO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccccc2Br)CC1 ZINC000152966304 1050913919 /nfs/dbraw/zinc/91/39/19/1050913919.db2.gz ZDGFNMNUKJCWPA-CQSZACIVSA-N 1 0 337.305 4.140 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2ccccc2OC(F)F)CC1 ZINC000153018728 1050935167 /nfs/dbraw/zinc/93/51/67/1050935167.db2.gz RPHGBRCRWXPQNC-QGZVFWFLSA-N 1 0 338.442 4.369 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001189278205 1050944698 /nfs/dbraw/zinc/94/46/98/1050944698.db2.gz MZGUIBXZLBSKNS-MOPGFXCFSA-N 1 0 343.515 4.127 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 ZINC000183039125 1050944914 /nfs/dbraw/zinc/94/49/14/1050944914.db2.gz ZZZVRVYAXMTNQR-KSSFIOAISA-N 1 0 325.843 4.141 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(O[C@@H](C)COC)cc1)[C@H]1CCc2ccccc21 ZINC001180296818 1050957502 /nfs/dbraw/zinc/95/75/02/1050957502.db2.gz MBZRDBRSXQPKEX-MBSDFSHPSA-N 1 0 349.474 4.223 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001180326766 1050970709 /nfs/dbraw/zinc/97/07/09/1050970709.db2.gz QTBINWMTXXYFCS-MLGOLLRUSA-N 1 0 341.282 4.433 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000153289795 1051010890 /nfs/dbraw/zinc/01/08/90/1051010890.db2.gz UFCLVRDHNKUGAX-UHFFFAOYSA-N 1 0 343.515 4.039 20 30 EIEDRO C[N@H+](CC(=O)Nc1ccccc1-c1ccc(C#N)cc1)C1CCCC1 ZINC001180629588 1051054559 /nfs/dbraw/zinc/05/45/59/1051054559.db2.gz OXZRTIDWMNTRJS-UHFFFAOYSA-N 1 0 333.435 4.038 20 30 EIEDRO C=CC[N@@H+](Cc1csc(-c2ccc(C(=O)OC)cc2)n1)C(C)(C)C ZINC001174641393 1051095781 /nfs/dbraw/zinc/09/57/81/1051095781.db2.gz HUDBNRQOYYLGKG-UHFFFAOYSA-N 1 0 344.480 4.383 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(N(C)C)cc1 ZINC000775361175 1051127838 /nfs/dbraw/zinc/12/78/38/1051127838.db2.gz AZZGVOKOYHAYIK-QGZVFWFLSA-N 1 0 337.467 4.286 20 30 EIEDRO C#CC[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775400039 1051231076 /nfs/dbraw/zinc/23/10/76/1051231076.db2.gz HFKFNBBDGGWBKU-ZWKOTPCHSA-N 1 0 333.353 4.093 20 30 EIEDRO C[C@H](CCC#N)C[N@H+](CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001181471209 1051233101 /nfs/dbraw/zinc/23/31/01/1051233101.db2.gz CZROSJMNJUVCEL-OAHLLOKOSA-N 1 0 341.421 4.009 20 30 EIEDRO C#C[C@H]([NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(C)cn21)C(C)C ZINC001181578046 1051257436 /nfs/dbraw/zinc/25/74/36/1051257436.db2.gz WRRSOHILCJFKMP-SFHVURJKSA-N 1 0 335.426 4.196 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC(F)CC1 ZINC001174934109 1051257304 /nfs/dbraw/zinc/25/73/04/1051257304.db2.gz PMDXNSCLVMWDJN-JEYLPNPQSA-N 1 0 343.364 4.443 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC#N)cc1 ZINC000775407952 1051262157 /nfs/dbraw/zinc/26/21/57/1051262157.db2.gz RMOLVWJKPGIIMV-VFNWGFHPSA-N 1 0 331.419 4.189 20 30 EIEDRO C=C1CC(C(=O)N2CCC3(C[NH+](C[C@@H](CC)CCCC)C3)CC2)C1 ZINC001272708700 1051263914 /nfs/dbraw/zinc/26/39/14/1051263914.db2.gz AZDNALQNEBSEQZ-SFHVURJKSA-N 1 0 332.532 4.093 20 30 EIEDRO C=C(C[NH2+]Cc1ccccc1OCc1ccccn1)c1ccccc1 ZINC000620756534 1051275819 /nfs/dbraw/zinc/27/58/19/1051275819.db2.gz IRXBQRZZOBCGFZ-UHFFFAOYSA-N 1 0 330.431 4.464 20 30 EIEDRO C=CCC1(S(=O)(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)CC1 ZINC001190844639 1051290853 /nfs/dbraw/zinc/29/08/53/1051290853.db2.gz AZZAGCFRULKMFM-UHFFFAOYSA-N 1 0 347.505 4.484 20 30 EIEDRO CC[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001190964957 1051312938 /nfs/dbraw/zinc/31/29/38/1051312938.db2.gz AECBGTZBJHBCHI-OAHLLOKOSA-N 1 0 325.374 4.449 20 30 EIEDRO CC[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001190964955 1051313238 /nfs/dbraw/zinc/31/32/38/1051313238.db2.gz AECBGTZBJHBCHI-HNNXBMFYSA-N 1 0 325.374 4.449 20 30 EIEDRO Cc1cccc(C[C@]2(C)CCC[N@@H+]2CCOc2cccc(C#N)c2)c1 ZINC001175036787 1051328534 /nfs/dbraw/zinc/32/85/34/1051328534.db2.gz YZFBXLDUSXUTDY-QFIPXVFZSA-N 1 0 334.463 4.343 20 30 EIEDRO CCCCCCCCNC(=O)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001191068905 1051339736 /nfs/dbraw/zinc/33/97/36/1051339736.db2.gz AMXIVZBSALZVHI-UHFFFAOYSA-N 1 0 337.552 4.395 20 30 EIEDRO CCCCCCCNC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC001191106550 1051352705 /nfs/dbraw/zinc/35/27/05/1051352705.db2.gz GTCJOFPALDWDHI-UHFFFAOYSA-N 1 0 347.503 4.252 20 30 EIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC001191213771 1051386567 /nfs/dbraw/zinc/38/65/67/1051386567.db2.gz KNAXYIMXZZRYRJ-NHCUHLMSSA-N 1 0 347.462 4.073 20 30 EIEDRO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001191183563 1051392320 /nfs/dbraw/zinc/39/23/20/1051392320.db2.gz SGOHALRDTCOMGL-HTAPYJJXSA-N 1 0 347.462 4.278 20 30 EIEDRO CCC(CC)C[N@H+](CCC#N)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001191367646 1051444038 /nfs/dbraw/zinc/44/40/38/1051444038.db2.gz RYNLCHZUCDMOBO-QGZVFWFLSA-N 1 0 337.508 4.038 20 30 EIEDRO N#Cc1ccccc1OCC[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001191626406 1051493738 /nfs/dbraw/zinc/49/37/38/1051493738.db2.gz IIWKUWHZDMMCHB-RBBKRZOGSA-N 1 0 332.447 4.338 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001182325567 1051500179 /nfs/dbraw/zinc/50/01/79/1051500179.db2.gz ATOLPPDKSQQBSK-GBESFXJTSA-N 1 0 344.499 4.067 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC001191646763 1051508746 /nfs/dbraw/zinc/50/87/46/1051508746.db2.gz SVNRRMDEUNUMTM-JOCHJYFZSA-N 1 0 332.447 4.479 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000774264772 1051534093 /nfs/dbraw/zinc/53/40/93/1051534093.db2.gz BSUOXWNKEBQTAB-ZWKOTPCHSA-N 1 0 332.806 4.125 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccc(C#N)cc1 ZINC000774300347 1051545917 /nfs/dbraw/zinc/54/59/17/1051545917.db2.gz DTHYCQFGTGKBBB-RBUKOAKNSA-N 1 0 328.456 4.065 20 30 EIEDRO COC(=O)c1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001175365257 1051553886 /nfs/dbraw/zinc/55/38/86/1051553886.db2.gz GCKRPPPJGIDMKE-UHFFFAOYSA-N 1 0 349.434 4.074 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(C(=O)OC)c3cccnc23)CCCCC1 ZINC001175371903 1051558362 /nfs/dbraw/zinc/55/83/62/1051558362.db2.gz MPSDQUYNASFMPF-UHFFFAOYSA-N 1 0 338.451 4.390 20 30 EIEDRO CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000774359415 1051561854 /nfs/dbraw/zinc/56/18/54/1051561854.db2.gz PDZCUEOXLJJWBV-MOPGFXCFSA-N 1 0 328.843 4.160 20 30 EIEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C1c2ccccc2-c2ccccc21 ZINC001191996359 1051599461 /nfs/dbraw/zinc/59/94/61/1051599461.db2.gz BJSCUBIPVJIPJJ-JOCHJYFZSA-N 1 0 340.426 4.293 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001182532566 1051634074 /nfs/dbraw/zinc/63/40/74/1051634074.db2.gz FWAYMGUPNWTFCQ-MJGOQNOKSA-N 1 0 325.500 4.272 20 30 EIEDRO CC(C)(C)c1noc(N=C2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC001175504986 1051637573 /nfs/dbraw/zinc/63/75/73/1051637573.db2.gz KSQFVDTULLILNI-UHFFFAOYSA-N 1 0 336.439 4.045 20 30 EIEDRO N#Cc1ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)c(F)c1F ZINC001175506561 1051639349 /nfs/dbraw/zinc/63/93/49/1051639349.db2.gz GJIXNYBIVAJGCZ-UHFFFAOYSA-N 1 0 325.362 4.038 20 30 EIEDRO C=CCC(CC=C)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157495852 1051643519 /nfs/dbraw/zinc/64/35/19/1051643519.db2.gz AOYMNLDYNVCXIC-SFHVURJKSA-N 1 0 332.532 4.258 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC001175533001 1051655490 /nfs/dbraw/zinc/65/54/90/1051655490.db2.gz SOFFPTRUDTVBII-HNNXBMFYSA-N 1 0 326.362 4.014 20 30 EIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](CCF)C2)cc1OC ZINC001182891728 1051735509 /nfs/dbraw/zinc/73/55/09/1051735509.db2.gz OGIFPRCIKNCSOD-AWEZNQCLSA-N 1 0 341.854 4.485 20 30 EIEDRO COc1ccc([C@H]([NH2+]CC#Cc2ccccc2Cl)C2CC2)cc1 ZINC001192585607 1051770553 /nfs/dbraw/zinc/77/05/53/1051770553.db2.gz XSXXTMTXVKJBBU-HXUWFJFHSA-N 1 0 325.839 4.441 20 30 EIEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]CC#Cc1ccc(F)cc1 ZINC001192603910 1051776117 /nfs/dbraw/zinc/77/61/17/1051776117.db2.gz ITPJJTUKVKXGDA-HXUWFJFHSA-N 1 0 343.417 4.400 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC001175780386 1051780968 /nfs/dbraw/zinc/78/09/68/1051780968.db2.gz FUFKYDDDWCLHRE-UHFFFAOYSA-N 1 0 348.494 4.373 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)[C@H]1CCCC[C@H]1C ZINC001183196587 1051803756 /nfs/dbraw/zinc/80/37/56/1051803756.db2.gz DYQMWVYRNMMOOI-UWVAXJGDSA-N 1 0 325.500 4.331 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](CC2CCC2)c2ccccc2)c1 ZINC001192825314 1051815848 /nfs/dbraw/zinc/81/58/48/1051815848.db2.gz YKDACTMZYAEEDD-NRFANRHFSA-N 1 0 347.462 4.408 20 30 EIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001183257091 1051817798 /nfs/dbraw/zinc/81/77/98/1051817798.db2.gz VJGXHORCJDHZPA-HUUCEWRRSA-N 1 0 331.447 4.326 20 30 EIEDRO C#CC[C@@H]([NH2+]CCc1ccccc1Br)c1ccccc1 ZINC001192791303 1051817901 /nfs/dbraw/zinc/81/79/01/1051817901.db2.gz KCMXDAIFAAVJIR-GOSISDBHSA-N 1 0 328.253 4.346 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC001192950767 1051837375 /nfs/dbraw/zinc/83/73/75/1051837375.db2.gz LUBQEIQOSQYWHD-KRWDZBQOSA-N 1 0 325.541 4.155 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000775557678 1051839098 /nfs/dbraw/zinc/83/90/98/1051839098.db2.gz GZRWRZWHCSJUMF-UHFFFAOYSA-N 1 0 326.415 4.267 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1)[C@H]1CCCO1 ZINC000775573967 1051869504 /nfs/dbraw/zinc/86/95/04/1051869504.db2.gz MDWZURYOBSAEOD-HZUKXOBISA-N 1 0 332.494 4.011 20 30 EIEDRO N#Cc1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1C1CC1 ZINC001176011228 1051873260 /nfs/dbraw/zinc/87/32/60/1051873260.db2.gz TYHXYIBKQRULAV-MRXNPFEDSA-N 1 0 337.467 4.029 20 30 EIEDRO CC[C@@H]1CN([C@H](C)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001193210574 1051886584 /nfs/dbraw/zinc/88/65/84/1051886584.db2.gz OIECMCVOJNRYAL-XMSQKQJNSA-N 1 0 333.479 4.216 20 30 EIEDRO Cc1nnsc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001193293727 1051896297 /nfs/dbraw/zinc/89/62/97/1051896297.db2.gz QJBZWLDQZJGXPU-CYBMUJFWSA-N 1 0 334.448 4.236 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001176114083 1051917720 /nfs/dbraw/zinc/91/77/20/1051917720.db2.gz OSAWPKBAVIOHCM-AWEZNQCLSA-N 1 0 340.309 4.389 20 30 EIEDRO C[C@H]1C[C@@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)c2ccsc2S1 ZINC001184054688 1051946620 /nfs/dbraw/zinc/94/66/20/1051946620.db2.gz IYDZKTHGMQHELT-SWLSCSKDSA-N 1 0 335.494 4.011 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000159232115 1051954425 /nfs/dbraw/zinc/95/44/25/1051954425.db2.gz SNAOMKHDVBPQCQ-UHFFFAOYSA-N 1 0 346.540 4.107 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1 ZINC001176229637 1051967032 /nfs/dbraw/zinc/96/70/32/1051967032.db2.gz ZJBPFSQNSLVPHL-UHFFFAOYSA-N 1 0 349.356 4.261 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001193662835 1051970113 /nfs/dbraw/zinc/97/01/13/1051970113.db2.gz PBAHKEXHZXGHAN-LFBWEABOSA-N 1 0 347.547 4.110 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2ccc(Br)c(C#N)c2)cc1 ZINC001176293227 1051981367 /nfs/dbraw/zinc/98/13/67/1051981367.db2.gz HOIXJFAFXJFREV-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCc3cccc4cccc2c43)cc1 ZINC001176334816 1051993935 /nfs/dbraw/zinc/99/39/35/1051993935.db2.gz LASLWIQTZCINKF-SFTDATJTSA-N 1 0 328.415 4.022 20 30 EIEDRO C#CCC1([NH2+]CCCCOc2ccccc2C(F)(F)F)CCC1 ZINC001176382398 1052026442 /nfs/dbraw/zinc/02/64/42/1052026442.db2.gz YILFJRQEBAXICP-UHFFFAOYSA-N 1 0 325.374 4.400 20 30 EIEDRO C=CCC[C@H](CC)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165023699 1052050274 /nfs/dbraw/zinc/05/02/74/1052050274.db2.gz FRRZWBZVMSUNDQ-SFHVURJKSA-N 1 0 326.440 4.044 20 30 EIEDRO Cc1ccc([C@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)C2)c(C)c1 ZINC001194073809 1052071136 /nfs/dbraw/zinc/07/11/36/1052071136.db2.gz LPWPEJBOYFEIGT-FQEVSTJZSA-N 1 0 334.463 4.434 20 30 EIEDRO CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC001194116695 1052075924 /nfs/dbraw/zinc/07/59/24/1052075924.db2.gz VBXBBUJALGZCNU-QGZVFWFLSA-N 1 0 337.508 4.039 20 30 EIEDRO C=CCCCC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001194133890 1052082124 /nfs/dbraw/zinc/08/21/24/1052082124.db2.gz ZSBHYSCIIRNIQI-QGZVFWFLSA-N 1 0 327.390 4.353 20 30 EIEDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1OC ZINC001194093738 1052083702 /nfs/dbraw/zinc/08/37/02/1052083702.db2.gz WPGVZLYWGNBKQM-HOTGVXAUSA-N 1 0 340.389 4.260 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc(C#N)c3ccsc32)C1 ZINC001184927986 1052132321 /nfs/dbraw/zinc/13/23/21/1052132321.db2.gz SHDOBPULHWTULQ-IIAWOOMASA-N 1 0 340.496 4.010 20 30 EIEDRO Cc1nsc(NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C#N ZINC001184981470 1052137881 /nfs/dbraw/zinc/13/78/81/1052137881.db2.gz AQVXDEVTKPSLBN-GOSISDBHSA-N 1 0 340.496 4.208 20 30 EIEDRO C=C(C)COc1cc(CNCCC[N@@H+]2CCCC[C@H]2C)ccc1OC ZINC000622266309 1052168614 /nfs/dbraw/zinc/16/86/14/1052168614.db2.gz JHISUTLWNXRXDS-GOSISDBHSA-N 1 0 346.515 4.004 20 30 EIEDRO Cc1ccc([C@@H](CNc2ncc(C#N)c3ccsc32)[NH+](C)C)cc1 ZINC001185081291 1052171907 /nfs/dbraw/zinc/17/19/07/1052171907.db2.gz LEYBIKGAPLQLQY-QGZVFWFLSA-N 1 0 336.464 4.191 20 30 EIEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001176767239 1052192957 /nfs/dbraw/zinc/19/29/57/1052192957.db2.gz BJVPLSYXBCQQRA-HNNXBMFYSA-N 1 0 326.362 4.075 20 30 EIEDRO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC001176771935 1052195048 /nfs/dbraw/zinc/19/50/48/1052195048.db2.gz YKTOIEAXRYQKMK-CYBMUJFWSA-N 1 0 347.509 4.241 20 30 EIEDRO Cc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)ccc1C#N ZINC000774908427 1052274868 /nfs/dbraw/zinc/27/48/68/1052274868.db2.gz HWJLMKZRZMZEHI-OAQYLSRUSA-N 1 0 346.430 4.196 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000072670477 1052558640 /nfs/dbraw/zinc/55/86/40/1052558640.db2.gz RCZVGDJABQYWMN-KRWDZBQOSA-N 1 0 333.435 4.288 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1 ZINC000185637540 1052662805 /nfs/dbraw/zinc/66/28/05/1052662805.db2.gz IVLPYNONQYOYHA-UHFFFAOYSA-N 1 0 347.462 4.000 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(CNCc2nc3ccccc3n2CC)c1 ZINC000073012172 1052671076 /nfs/dbraw/zinc/67/10/76/1052671076.db2.gz CGQNWRRQGWBPEI-KRWDZBQOSA-N 1 0 348.450 4.027 20 30 EIEDRO N#C[C@H]1CCC[C@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000185734560 1052688849 /nfs/dbraw/zinc/68/88/49/1052688849.db2.gz MTUMQTFJZITIBP-HKUYNNGSSA-N 1 0 327.472 4.046 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000178758025 1052713439 /nfs/dbraw/zinc/71/34/39/1052713439.db2.gz QNBAWKQKOMBFJA-GOSISDBHSA-N 1 0 338.451 4.239 20 30 EIEDRO C=C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000179368835 1052733008 /nfs/dbraw/zinc/73/30/08/1052733008.db2.gz PSBQTBGOGLDCMD-LJQANCHMSA-N 1 0 348.490 4.259 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000180038409 1052775437 /nfs/dbraw/zinc/77/54/37/1052775437.db2.gz DBFOXJRDINQIFU-KRWDZBQOSA-N 1 0 330.378 4.200 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000180045809 1052775504 /nfs/dbraw/zinc/77/55/04/1052775504.db2.gz ICPPDKMXEWDKRF-SFHVURJKSA-N 1 0 338.451 4.321 20 30 EIEDRO C=CCc1cc(C[NH2+]CC2(C(F)(F)F)CCCC2)cc(OC)c1O ZINC000623787398 1052803571 /nfs/dbraw/zinc/80/35/71/1052803571.db2.gz LHADGVSWLYENKP-UHFFFAOYSA-N 1 0 343.389 4.342 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623878680 1052828089 /nfs/dbraw/zinc/82/80/89/1052828089.db2.gz NMRWAQRMJPPTNE-DTWKUNHWSA-N 1 0 347.274 4.463 20 30 EIEDRO N#Cc1cc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)ccc1F ZINC000073353698 1052872236 /nfs/dbraw/zinc/87/22/36/1052872236.db2.gz JCFHNYMYZYVRCT-UHFFFAOYSA-N 1 0 332.338 4.088 20 30 EIEDRO Cc1csc([C@H](C)C[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000184116853 1052992650 /nfs/dbraw/zinc/99/26/50/1052992650.db2.gz HNFBABNWYXWNCW-CQSZACIVSA-N 1 0 329.469 4.027 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000184472322 1053001746 /nfs/dbraw/zinc/00/17/46/1053001746.db2.gz TWWSRLIPTRFULM-ZDUSSCGKSA-N 1 0 329.469 4.042 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184794108 1053007406 /nfs/dbraw/zinc/00/74/06/1053007406.db2.gz LYGNZJJWYWCTCE-CZUORRHYSA-N 1 0 346.496 4.105 20 30 EIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCCC(C)(C)C#N ZINC000185622549 1053019273 /nfs/dbraw/zinc/01/92/73/1053019273.db2.gz PYQRSZNRBFUNHN-LLVKDONJSA-N 1 0 330.398 4.043 20 30 EIEDRO COc1cc(C[NH2+]CC2CCC(C#N)CC2)c(O)c(C(C)(C)C)c1 ZINC000850284398 1053107473 /nfs/dbraw/zinc/10/74/73/1053107473.db2.gz DGCXXMJTUYBFNR-UHFFFAOYSA-N 1 0 330.472 4.118 20 30 EIEDRO Cc1cc(NCc2ccc(C3(C#N)CC3)cc2)ccc1OCC[NH+](C)C ZINC000850323414 1053113970 /nfs/dbraw/zinc/11/39/70/1053113970.db2.gz CYUMSJKMMRETFC-UHFFFAOYSA-N 1 0 349.478 4.103 20 30 EIEDRO CCCCCCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764466347 1053118459 /nfs/dbraw/zinc/11/84/59/1053118459.db2.gz JJGXYWBUKCXXLB-LEWJYISDSA-N 1 0 337.596 4.085 20 30 EIEDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000850343431 1053123807 /nfs/dbraw/zinc/12/38/07/1053123807.db2.gz SWQPWYRILFEHIW-BEFAXECRSA-N 1 0 326.415 4.227 20 30 EIEDRO C=CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000850354661 1053129838 /nfs/dbraw/zinc/12/98/38/1053129838.db2.gz SOIVXXDZOQFGQL-ROUUACIJSA-N 1 0 330.472 4.293 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)cc1 ZINC000850365595 1053143392 /nfs/dbraw/zinc/14/33/92/1053143392.db2.gz ULOBNLTUGJMMGW-UHFFFAOYSA-N 1 0 339.410 4.059 20 30 EIEDRO CCCC[C@H](C)[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001194875505 1053143335 /nfs/dbraw/zinc/14/33/35/1053143335.db2.gz ZNHDEOODKFVFGN-INIZCTEOSA-N 1 0 349.906 4.406 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1Cl ZINC000850372047 1053148247 /nfs/dbraw/zinc/14/82/47/1053148247.db2.gz OZIODWSBTLHBHL-MSOLQXFVSA-N 1 0 329.827 4.173 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cc1 ZINC000764563624 1053198760 /nfs/dbraw/zinc/19/87/60/1053198760.db2.gz JXZTWEIDQDKLOT-CRAIPNDOSA-N 1 0 348.874 4.364 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)C(C)(C)C(F)F)ccc1OC ZINC000850444235 1053219288 /nfs/dbraw/zinc/21/92/88/1053219288.db2.gz VQQUEMOQFCYKSE-OCCSQVGLSA-N 1 0 340.414 4.146 20 30 EIEDRO C#CC[NH2+][C@H](C)c1sc(-c2ccc(Br)cc2)nc1C ZINC000764598245 1053223054 /nfs/dbraw/zinc/22/30/54/1053223054.db2.gz FNMDKXZLPKHWAF-SNVBAGLBSA-N 1 0 335.270 4.165 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000794665352 1053237790 /nfs/dbraw/zinc/23/77/90/1053237790.db2.gz XGNYCEBVAKYAST-LRDDRELGSA-N 1 0 343.389 4.292 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000850480680 1053253739 /nfs/dbraw/zinc/25/37/39/1053253739.db2.gz BNOYVEXZHBPAPK-FRQCXROJSA-N 1 0 328.456 4.429 20 30 EIEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000850549210 1053307050 /nfs/dbraw/zinc/30/70/50/1053307050.db2.gz FDTNTKYSEHFNDM-MRXNPFEDSA-N 1 0 341.455 4.158 20 30 EIEDRO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC1(C#N)CCCCC1 ZINC000850550247 1053307088 /nfs/dbraw/zinc/30/70/88/1053307088.db2.gz OPFBCFXIPZSWKB-MRXNPFEDSA-N 1 0 337.508 4.134 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(F)ccc1F ZINC000794810250 1053410785 /nfs/dbraw/zinc/41/07/85/1053410785.db2.gz KTCXDCCCFDGCNV-IBGZPJMESA-N 1 0 330.378 4.354 20 30 EIEDRO C[C@@H]([C@H](OC(=O)CCCCCC#N)c1ccccc1)[NH+]1CCCC1 ZINC000851134785 1053422196 /nfs/dbraw/zinc/42/21/96/1053422196.db2.gz YOUXUVLLACZKDD-PXNSSMCTSA-N 1 0 328.456 4.229 20 30 EIEDRO C#C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC001195568834 1053438320 /nfs/dbraw/zinc/43/83/20/1053438320.db2.gz SDHJOTMYZSVJAW-SFHVURJKSA-N 1 0 348.446 4.153 20 30 EIEDRO CC(C)(C)OC(=O)C[C@H]1CCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001195797593 1053491038 /nfs/dbraw/zinc/49/10/38/1053491038.db2.gz IYKKQHSYGJWCKT-QGZVFWFLSA-N 1 0 334.504 4.437 20 30 EIEDRO C[C@@H](c1cccc2ccccc21)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001195877111 1053512103 /nfs/dbraw/zinc/51/21/03/1053512103.db2.gz RBWQGHVRRRUACG-AOMKIAJQSA-N 1 0 330.431 4.438 20 30 EIEDRO C=CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1Cl)c1ccncc1 ZINC000865464664 1053514278 /nfs/dbraw/zinc/51/42/78/1053514278.db2.gz MVFPIIUKISIRRM-INIZCTEOSA-N 1 0 332.831 4.159 20 30 EIEDRO CCOc1cc(F)cc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)c1 ZINC000865462869 1053515177 /nfs/dbraw/zinc/51/51/77/1053515177.db2.gz CWXGCPZKYLJSHG-GOSISDBHSA-N 1 0 342.414 4.195 20 30 EIEDRO N#Cc1ccc(CC[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000851808549 1053522179 /nfs/dbraw/zinc/52/21/79/1053522179.db2.gz IKCJUCOSWROACB-VQTJNVASSA-N 1 0 338.451 4.062 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccc(C(F)(F)F)cc1 ZINC000851905718 1053529791 /nfs/dbraw/zinc/52/97/91/1053529791.db2.gz NZWFZHZXKYOAJX-GJZGRUSLSA-N 1 0 327.346 4.008 20 30 EIEDRO CC(C)[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1F ZINC001195927104 1053530529 /nfs/dbraw/zinc/53/05/29/1053530529.db2.gz DDPKSWOAITZEDJ-HXUWFJFHSA-N 1 0 326.415 4.453 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000775680716 1053555646 /nfs/dbraw/zinc/55/56/46/1053555646.db2.gz FSNZDWUTORVVBT-IRLDBZIGSA-N 1 0 334.463 4.480 20 30 EIEDRO CC(C)(C)c1csc(CC2CC[NH+](CC3(CC#N)CC3)CC2)n1 ZINC001196014022 1053557957 /nfs/dbraw/zinc/55/79/57/1053557957.db2.gz OWPNVHGOTIJQDU-UHFFFAOYSA-N 1 0 331.529 4.389 20 30 EIEDRO CC[N@H+](CCC(=O)OCc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000776578739 1053564379 /nfs/dbraw/zinc/56/43/79/1053564379.db2.gz IHXOBQFHGMWZKW-KRWDZBQOSA-N 1 0 336.435 4.075 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC001196057976 1053567085 /nfs/dbraw/zinc/56/70/85/1053567085.db2.gz UKMIYCDQIDSMSU-MAUKXSAKSA-N 1 0 334.891 4.071 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1SC(F)(F)F ZINC000852319258 1053568855 /nfs/dbraw/zinc/56/88/55/1053568855.db2.gz ISEPZTIVGUTOAJ-GFCCVEGCSA-N 1 0 344.402 4.433 20 30 EIEDRO C=CC[N@H+](Cc1cc(Cl)cc(Br)c1)[C@H](C)COC ZINC001196048076 1053570682 /nfs/dbraw/zinc/57/06/82/1053570682.db2.gz MOVIVRWWCHOMMH-LLVKDONJSA-N 1 0 332.669 4.125 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000852729390 1053605806 /nfs/dbraw/zinc/60/58/06/1053605806.db2.gz MYCQEKIGROYZDI-VQTJNVASSA-N 1 0 342.870 4.254 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)cc1 ZINC000853096186 1053645513 /nfs/dbraw/zinc/64/55/13/1053645513.db2.gz RJAQPZPTLPQYCZ-UHFFFAOYSA-N 1 0 327.394 4.105 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2csc(CC)n2)ccc1OC ZINC000102431317 1053651155 /nfs/dbraw/zinc/65/11/55/1053651155.db2.gz CURWQRBSEISNEI-UHFFFAOYSA-N 1 0 346.496 4.001 20 30 EIEDRO COc1ccccc1CON=CC1CC[NH+](Cc2ccccc2)CC1 ZINC000853342280 1053670866 /nfs/dbraw/zinc/67/08/66/1053670866.db2.gz BUFAPNPSBBIZFB-UHFFFAOYSA-N 1 0 338.451 4.110 20 30 EIEDRO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000866294465 1053680341 /nfs/dbraw/zinc/68/03/41/1053680341.db2.gz ITUBVZMBUNTLHR-INIZCTEOSA-N 1 0 333.435 4.181 20 30 EIEDRO CC(C)C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccncc1 ZINC000866449487 1053732894 /nfs/dbraw/zinc/73/28/94/1053732894.db2.gz WLBXCJKOCFNSOH-NRFANRHFSA-N 1 0 348.494 4.299 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000866444589 1053734310 /nfs/dbraw/zinc/73/43/10/1053734310.db2.gz BOAJHQZVOGHYPR-IBGZPJMESA-N 1 0 349.503 4.354 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1noc2ccc(F)cc21 ZINC000866511401 1053761397 /nfs/dbraw/zinc/76/13/97/1053761397.db2.gz PHYQIEUKDNOHGC-SFHVURJKSA-N 1 0 335.382 4.396 20 30 EIEDRO COc1cc([C@@H](C)[NH2+][C@H]2Cc3ccc(C#N)cc3C2)ccc1SC ZINC000866618275 1053807015 /nfs/dbraw/zinc/80/70/15/1053807015.db2.gz YCWYJSYQNHNROQ-ACJLOTCBSA-N 1 0 338.476 4.107 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000776742043 1053815608 /nfs/dbraw/zinc/81/56/08/1053815608.db2.gz ZFLYBQKPHPYYAY-JLTOFOAXSA-N 1 0 340.442 4.379 20 30 EIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1coc(-c2ccccc2F)n1 ZINC001197114008 1053840655 /nfs/dbraw/zinc/84/06/55/1053840655.db2.gz DQVOOJKMQLFNOI-UHFFFAOYSA-N 1 0 335.382 4.027 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(F)c1 ZINC000121863765 1053853788 /nfs/dbraw/zinc/85/37/88/1053853788.db2.gz QVPDUFUYSXRWIX-PKOBYXMFSA-N 1 0 342.414 4.159 20 30 EIEDRO COc1ccccc1[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197212102 1053853987 /nfs/dbraw/zinc/85/39/87/1053853987.db2.gz GRHQTWIWPLHJIS-LJQANCHMSA-N 1 0 337.438 4.456 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC3(CCCCO3)CC2)cc1 ZINC001197256420 1053861278 /nfs/dbraw/zinc/86/12/78/1053861278.db2.gz QJTNMZWGOSPTFC-UHFFFAOYSA-N 1 0 337.385 4.092 20 30 EIEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+]C(C1CCCCC1)C1CCCCC1 ZINC001197264364 1053864655 /nfs/dbraw/zinc/86/46/55/1053864655.db2.gz MDNQYVXGVJMMJL-QGZVFWFLSA-N 1 0 347.547 4.113 20 30 EIEDRO Clc1ccc(C#CC[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC001197283302 1053874913 /nfs/dbraw/zinc/87/49/13/1053874913.db2.gz AKRSXGVFTDIVAP-IBGZPJMESA-N 1 0 331.887 4.220 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000509459735 1053880751 /nfs/dbraw/zinc/88/07/51/1053880751.db2.gz PDIAZRULMDYFMM-UHFFFAOYSA-N 1 0 339.464 4.003 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccc3ncsc3c2)cc1 ZINC000776807285 1053907343 /nfs/dbraw/zinc/90/73/43/1053907343.db2.gz GEUIFKIBCBFVSF-ZIAGYGMSSA-N 1 0 337.448 4.438 20 30 EIEDRO CCCC1(CCC)CCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001197514164 1053921562 /nfs/dbraw/zinc/92/15/62/1053921562.db2.gz JAYIISLFNPWLJI-UHFFFAOYSA-N 1 0 328.456 4.280 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)ccc2C)ccc1OC ZINC000113347637 1053923821 /nfs/dbraw/zinc/92/38/21/1053923821.db2.gz XKEUGFLTXRTVGA-LJQANCHMSA-N 1 0 338.451 4.283 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cc(C#N)ccc4F)C3)nc2c1 ZINC000130773817 1053924736 /nfs/dbraw/zinc/92/47/36/1053924736.db2.gz QGRQQELHSCRNEG-MRXNPFEDSA-N 1 0 348.425 4.262 20 30 EIEDRO COc1cc2c(cc1OC)[C@H](C1CC1)[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001197701714 1053975198 /nfs/dbraw/zinc/97/51/98/1053975198.db2.gz OIPDCDKYDXRZCC-QFIPXVFZSA-N 1 0 348.446 4.085 20 30 EIEDRO CCCCCCCCCNC(=S)N(CCC)C1CC[NH2+]CC1 ZINC001239447946 1053995282 /nfs/dbraw/zinc/99/52/82/1053995282.db2.gz JIMRCMGACDPXNM-UHFFFAOYSA-N 1 0 327.582 4.076 20 30 EIEDRO C#CC[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C(C)(C)C ZINC001197931714 1054027883 /nfs/dbraw/zinc/02/78/83/1054027883.db2.gz ZINXQLYLITWCSY-UHFFFAOYSA-N 1 0 348.490 4.016 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2F)c1 ZINC000113952489 1054028128 /nfs/dbraw/zinc/02/81/28/1054028128.db2.gz DMEGDYPQGWJNIL-CJNGLKHVSA-N 1 0 330.378 4.497 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C/C=C/c2ccccc2OC)c1 ZINC000113961501 1054034085 /nfs/dbraw/zinc/03/40/85/1054034085.db2.gz ZFCLOJUAIQVUCR-QPGLYAHGSA-N 1 0 336.435 4.179 20 30 EIEDRO C[C@]12C[N@H+](Cc3ccc(C#N)cc3OC(F)F)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252369 1054110341 /nfs/dbraw/zinc/11/03/41/1054110341.db2.gz RWYQQVIWFNHOMC-NQUFMGSDSA-N 1 0 332.394 4.028 20 30 EIEDRO C[C@@]1(Cc2ccc(Cl)s2)CCCN1Cc1ccncc1C#N ZINC001198299630 1054117969 /nfs/dbraw/zinc/11/79/69/1054117969.db2.gz GXKHIANNYKGCQM-KRWDZBQOSA-N 1 0 331.872 4.265 20 30 EIEDRO C=CC[C@H]1CC[N@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001198490799 1054161509 /nfs/dbraw/zinc/16/15/09/1054161509.db2.gz KSGDAMCPFNUCIY-ZWKOTPCHSA-N 1 0 332.463 4.070 20 30 EIEDRO C=CC[C@H]1CC[N@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001198490798 1054162698 /nfs/dbraw/zinc/16/26/98/1054162698.db2.gz KSGDAMCPFNUCIY-ROUUACIJSA-N 1 0 332.463 4.070 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@]23CCOC3)cc1 ZINC001198772048 1054262227 /nfs/dbraw/zinc/26/22/27/1054262227.db2.gz XXMFFDVQJNGXSH-JOCHJYFZSA-N 1 0 332.447 4.370 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC001198952099 1054311415 /nfs/dbraw/zinc/31/14/15/1054311415.db2.gz ACRYUZQXCOJIDE-UHFFFAOYSA-N 1 0 348.277 4.263 20 30 EIEDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000115629116 1054366287 /nfs/dbraw/zinc/36/62/87/1054366287.db2.gz JELYQICSBXYLLO-UHFFFAOYSA-N 1 0 337.467 4.033 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045972 1054409052 /nfs/dbraw/zinc/40/90/52/1054409052.db2.gz FDZXENCPTBJEPU-FOIQADDNSA-N 1 0 333.435 4.045 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872259611 1054428424 /nfs/dbraw/zinc/42/84/24/1054428424.db2.gz DSGGWNWXILJTHU-FQEVSTJZSA-N 1 0 326.484 4.411 20 30 EIEDRO C[C@@H](COc1ccc(C(C)(C)C)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC001199659471 1054438706 /nfs/dbraw/zinc/43/87/06/1054438706.db2.gz ZFRHVWYVVINQBM-AWEZNQCLSA-N 1 0 328.481 4.474 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)c2ccc(OC)c(F)c2)cc1 ZINC000858257006 1054449856 /nfs/dbraw/zinc/44/98/56/1054449856.db2.gz CDSVNWBKENRVLO-UHFFFAOYSA-N 1 0 341.426 4.261 20 30 EIEDRO C[NH+](C)Cc1ccccc1NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000858426995 1054487113 /nfs/dbraw/zinc/48/71/13/1054487113.db2.gz WBEBXXYECATIPF-UHFFFAOYSA-N 1 0 347.462 4.070 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C2(C)CC(F)(F)C2)cc1OC ZINC000873197968 1054508268 /nfs/dbraw/zinc/50/82/68/1054508268.db2.gz XCCMAHIRRRWYMW-UHFFFAOYSA-N 1 0 331.790 4.191 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(Cl)s2)cc(OC)c1OC ZINC000105478169 1054524683 /nfs/dbraw/zinc/52/46/83/1054524683.db2.gz QJWHGXWSYGJWPS-UHFFFAOYSA-N 1 0 337.872 4.437 20 30 EIEDRO C#Cc1cccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000116481048 1054608639 /nfs/dbraw/zinc/60/86/39/1054608639.db2.gz QRDRSKGTZDTOBD-KRWDZBQOSA-N 1 0 347.462 4.015 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000552969702 1054652678 /nfs/dbraw/zinc/65/26/78/1054652678.db2.gz VPMIHMVWXHOOIN-QKKBWIMNSA-N 1 0 345.446 4.171 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1C#N ZINC000859314716 1054660643 /nfs/dbraw/zinc/66/06/43/1054660643.db2.gz ZCZDRCZJQTZXNX-INIZCTEOSA-N 1 0 349.434 4.064 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(Br)cc1F)c1cccc(C#N)c1 ZINC000776155234 1054757118 /nfs/dbraw/zinc/75/71/18/1054757118.db2.gz DSVKYTAGUHNFMR-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO COc1ccc([C@@H]2C[C@@H]([NH2+][C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC001168585610 1054765978 /nfs/dbraw/zinc/76/59/78/1054765978.db2.gz ICCAPXODRDRRLV-ZRCAFCQKSA-N 1 0 336.435 4.138 20 30 EIEDRO CCCCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C1(C)C ZINC000776162140 1054772351 /nfs/dbraw/zinc/77/23/51/1054772351.db2.gz BZJHKYJWGUZQJC-AYOQOUSVSA-N 1 0 330.472 4.223 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(O[C@H](C#N)CC)c2)C12CCCC2 ZINC000776165513 1054791827 /nfs/dbraw/zinc/79/18/27/1054791827.db2.gz RSIOYFHMKIRABV-YSIASYRMSA-N 1 0 342.483 4.195 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H](O)c1c(F)cccc1Cl ZINC000776170918 1054800709 /nfs/dbraw/zinc/80/07/09/1054800709.db2.gz QWHCMPWMCPDKHL-VNBZBWLYSA-N 1 0 332.806 4.123 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000106039583 1054813822 /nfs/dbraw/zinc/81/38/22/1054813822.db2.gz PQCOHRYYOZQUFA-UHFFFAOYSA-N 1 0 334.463 4.124 20 30 EIEDRO COc1cc(C#N)ccc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201475048 1054829387 /nfs/dbraw/zinc/82/93/87/1054829387.db2.gz QRCNEXWILSADGU-UXHICEINSA-N 1 0 345.446 4.300 20 30 EIEDRO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1F ZINC001201477747 1054829766 /nfs/dbraw/zinc/82/97/66/1054829766.db2.gz KUXBMAXQZVJYIH-UXHICEINSA-N 1 0 333.410 4.430 20 30 EIEDRO CCCCCCC[N@H+]1Cc2cn(CC3CC3)nc2[C@H](COCC)C1 ZINC001201762742 1054900284 /nfs/dbraw/zinc/90/02/84/1054900284.db2.gz SHJNSEFWJFLZIP-IBGZPJMESA-N 1 0 333.520 4.199 20 30 EIEDRO C=CCOCC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000339024726 1054910878 /nfs/dbraw/zinc/91/08/78/1054910878.db2.gz ZILDDZLIYGXWOX-UHFFFAOYSA-N 1 0 344.282 4.177 20 30 EIEDRO CCCCCCCC[N@@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001201813629 1054911016 /nfs/dbraw/zinc/91/10/16/1054911016.db2.gz HSANYMRQJKRJJS-UHFFFAOYSA-N 1 0 327.472 4.498 20 30 EIEDRO CCCCCCC[NH+]1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001201804113 1054911613 /nfs/dbraw/zinc/91/16/13/1054911613.db2.gz BOTSLMVDMAHCJL-UHFFFAOYSA-N 1 0 348.506 4.377 20 30 EIEDRO CCCCCCCC[N@@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001201814996 1054914115 /nfs/dbraw/zinc/91/41/15/1054914115.db2.gz VNUBXTDNQNVDEJ-UHFFFAOYSA-N 1 0 333.520 4.065 20 30 EIEDRO CCCCCCCC[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001201826516 1054925352 /nfs/dbraw/zinc/92/53/52/1054925352.db2.gz ZBJPTVFERBXORU-UHFFFAOYSA-N 1 0 338.499 4.300 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Cl)c(C)cc1O ZINC000825886333 1054926448 /nfs/dbraw/zinc/92/64/48/1054926448.db2.gz OFOYIVZCPQGWPD-UHFFFAOYSA-N 1 0 335.831 4.018 20 30 EIEDRO CCCCCCCC[N@@H+]1CCc2onc(COc3cccnc3)c2C1 ZINC001201826165 1054926177 /nfs/dbraw/zinc/92/61/77/1054926177.db2.gz OVEPZPODTDLSRA-UHFFFAOYSA-N 1 0 343.471 4.367 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000876562354 1054929791 /nfs/dbraw/zinc/92/97/91/1054929791.db2.gz OCWXXKLGAPKSSW-KZNAEPCWSA-N 1 0 349.519 4.038 20 30 EIEDRO CCCCCCCCCC[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001201874965 1054941799 /nfs/dbraw/zinc/94/17/99/1054941799.db2.gz MQQRDSUNIZHJFB-UHFFFAOYSA-N 1 0 345.531 4.417 20 30 EIEDRO N#CCCOCC[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339031567 1054981623 /nfs/dbraw/zinc/98/16/23/1054981623.db2.gz KUCBKRWVMFYNOW-MRXNPFEDSA-N 1 0 326.362 4.163 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000876940034 1054985895 /nfs/dbraw/zinc/98/58/95/1054985895.db2.gz OOISSKXFDAXLSJ-RBBKRZOGSA-N 1 0 331.463 4.016 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000877066934 1055011676 /nfs/dbraw/zinc/01/16/76/1055011676.db2.gz AVQOLUMPQFYMAU-CQSZACIVSA-N 1 0 345.874 4.052 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000877183128 1055034454 /nfs/dbraw/zinc/03/44/54/1055034454.db2.gz YNHYKHYLQACGKJ-UHFFFAOYSA-N 1 0 329.444 4.159 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000877471313 1055058107 /nfs/dbraw/zinc/05/81/07/1055058107.db2.gz VCOSMJADCBVAQW-XIKARTHZSA-N 1 0 330.819 4.123 20 30 EIEDRO N#CC1CCC([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000877475552 1055059308 /nfs/dbraw/zinc/05/93/08/1055059308.db2.gz SMTFTIUSUOCVKI-QIMFLAQGSA-N 1 0 325.239 4.489 20 30 EIEDRO COc1cccc2cc(C[N@@H+]3CCc4c(CC#N)cccc4C3)oc21 ZINC000862542314 1055082439 /nfs/dbraw/zinc/08/24/39/1055082439.db2.gz LOLKYLKQGZPXLG-UHFFFAOYSA-N 1 0 332.403 4.066 20 30 EIEDRO Cc1cc(C[NH2+]C[C@@H](C)CCC#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000877570966 1055084325 /nfs/dbraw/zinc/08/43/25/1055084325.db2.gz VHWGVEPSIYALRK-AWEZNQCLSA-N 1 0 331.460 4.372 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([NH2+]C34CCC(C#N)(CC3)CC4)CCO2)cc1 ZINC001168598200 1055093820 /nfs/dbraw/zinc/09/38/20/1055093820.db2.gz DHDZTJUOOPAFJM-IDGBJLRDSA-N 1 0 340.467 4.121 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2cccc(Cl)c2)CCC1 ZINC000877727330 1055111307 /nfs/dbraw/zinc/11/13/07/1055111307.db2.gz BKLOTNFUKABMHU-INIZCTEOSA-N 1 0 346.902 4.450 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000877806647 1055122650 /nfs/dbraw/zinc/12/26/50/1055122650.db2.gz KTXBGICCTVRRQM-INIZCTEOSA-N 1 0 330.472 4.052 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000877892787 1055146267 /nfs/dbraw/zinc/14/62/67/1055146267.db2.gz DUVQHMBRZRWGGZ-KKSFZXQISA-N 1 0 338.426 4.259 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000877916149 1055153245 /nfs/dbraw/zinc/15/32/45/1055153245.db2.gz YMDLOBKIUMBIOL-PKTZIBPZSA-N 1 0 346.474 4.134 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000877951910 1055160714 /nfs/dbraw/zinc/16/07/14/1055160714.db2.gz UHDJVWKKIKVVCW-VXKWHMMOSA-N 1 0 332.447 4.046 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+](Cc1cccs1)C(C)C)c1ccccc1 ZINC000877993928 1055170757 /nfs/dbraw/zinc/17/07/57/1055170757.db2.gz HJDRDUXMWSZJGJ-HXUWFJFHSA-N 1 0 340.492 4.399 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](c2ccccc2C)C1)c1ccccc1 ZINC000878031155 1055178541 /nfs/dbraw/zinc/17/85/41/1055178541.db2.gz RIOFINUVPHUBST-NFBKMPQASA-N 1 0 346.474 4.225 20 30 EIEDRO C=C1CCN(Cc2nnc(-c3cc4ccccc4cc3OC)o2)CC1 ZINC000878087145 1055183191 /nfs/dbraw/zinc/18/31/91/1055183191.db2.gz HOYZATVERBDNRF-UHFFFAOYSA-N 1 0 335.407 4.050 20 30 EIEDRO C#CCCCCC[N@@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000878232008 1055215182 /nfs/dbraw/zinc/21/51/82/1055215182.db2.gz NITSPXPGTHLQNS-UHFFFAOYSA-N 1 0 340.511 4.197 20 30 EIEDRO C#CCCCCC[NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000878362802 1055263793 /nfs/dbraw/zinc/26/37/93/1055263793.db2.gz ILQJXFXBHQFKIX-QGZVFWFLSA-N 1 0 335.451 4.178 20 30 EIEDRO C=CC(C)(C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000878545553 1055341600 /nfs/dbraw/zinc/34/16/00/1055341600.db2.gz UJXMZWPIFJGHIQ-UHFFFAOYSA-N 1 0 332.513 4.085 20 30 EIEDRO C=CC(C)(C)CC(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000878571423 1055347641 /nfs/dbraw/zinc/34/76/41/1055347641.db2.gz TVZKLNBAYAANKC-UHFFFAOYSA-N 1 0 332.513 4.085 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccc(C)c(C)c1)c1ccccc1 ZINC000878691440 1055375779 /nfs/dbraw/zinc/37/57/79/1055375779.db2.gz CLGOAOHPMXDPCC-JOCHJYFZSA-N 1 0 334.463 4.176 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000765801957 1055377451 /nfs/dbraw/zinc/37/74/51/1055377451.db2.gz LNPQOLWVPUCKBO-QRQLOZEOSA-N 1 0 330.472 4.049 20 30 EIEDRO CC1=Nc2ccccc2C12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC000878795465 1055395568 /nfs/dbraw/zinc/39/55/68/1055395568.db2.gz KYQKIQFCUCARDJ-UHFFFAOYSA-N 1 0 345.446 4.229 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2ccccc2[C@@H](C)C1)c1ccccc1 ZINC000878807439 1055401834 /nfs/dbraw/zinc/40/18/34/1055401834.db2.gz BJORPAUXSYZRHX-MBSDFSHPSA-N 1 0 346.474 4.089 20 30 EIEDRO CCc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000553580219 1055560036 /nfs/dbraw/zinc/56/00/36/1055560036.db2.gz IYPPCQFKSUSBHS-HNNXBMFYSA-N 1 0 343.471 4.080 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OC)c(O[C@H](C)CC)c2)CC1 ZINC000106245271 1055670044 /nfs/dbraw/zinc/67/00/44/1055670044.db2.gz OVMZMJXCARGOCO-QGZVFWFLSA-N 1 0 346.515 4.003 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273358703 1055781631 /nfs/dbraw/zinc/78/16/31/1055781631.db2.gz CHPCYEKXEIHZPP-CRAIPNDOSA-N 1 0 330.428 4.111 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccccc1Br)c1ccc(C#N)cc1 ZINC000553759521 1055818868 /nfs/dbraw/zinc/81/88/68/1055818868.db2.gz RNJBUCFGCRKZAL-CYBMUJFWSA-N 1 0 329.241 4.214 20 30 EIEDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000123067957 1055836470 /nfs/dbraw/zinc/83/64/70/1055836470.db2.gz GVCGNYFXPPXUNK-UWJYYQICSA-N 1 0 333.479 4.140 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1ncccc1C#N)c1ccccc1Cl ZINC000301060577 1055892102 /nfs/dbraw/zinc/89/21/02/1055892102.db2.gz QUYDSNUHKCKKJC-KRWDZBQOSA-N 1 0 328.847 4.102 20 30 EIEDRO Cc1ccc([C@H](CNc2snc(Cl)c2C#N)[NH+]2CCCC2)cc1 ZINC000301077288 1055893905 /nfs/dbraw/zinc/89/39/05/1055893905.db2.gz DJOJHSYROAFCHA-HNNXBMFYSA-N 1 0 346.887 4.226 20 30 EIEDRO CC(C)[N@H+](C)Cc1ccccc1CNc1c(F)cc(C#N)cc1F ZINC000301150555 1055901420 /nfs/dbraw/zinc/90/14/20/1055901420.db2.gz OJYTUUCUZQUWKU-UHFFFAOYSA-N 1 0 329.394 4.289 20 30 EIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc(C#N)cc2F)CC1 ZINC000301152408 1055902390 /nfs/dbraw/zinc/90/23/90/1055902390.db2.gz NXZHMNXFRMQYGQ-UHFFFAOYSA-N 1 0 337.442 4.046 20 30 EIEDRO CC1CC[NH+](C2CCC(Nc3ccc(Cl)c(C#N)n3)CC2)CC1 ZINC000301776606 1055985152 /nfs/dbraw/zinc/98/51/52/1055985152.db2.gz OMAHIQULLQUPKL-UHFFFAOYSA-N 1 0 332.879 4.062 20 30 EIEDRO C[N@@H+]1CC[C@@H](CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301854051 1055993936 /nfs/dbraw/zinc/99/39/36/1055993936.db2.gz CGKIZBVPYWTEES-HNAYVOBHSA-N 1 0 343.833 4.456 20 30 EIEDRO N#Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1C(F)(F)F ZINC000302211618 1056032846 /nfs/dbraw/zinc/03/28/46/1056032846.db2.gz ZNBWXYGZYAEAHX-UGSOOPFHSA-N 1 0 349.400 4.030 20 30 EIEDRO N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000302271321 1056038030 /nfs/dbraw/zinc/03/80/30/1056038030.db2.gz HICJOZGVGQHLQP-WMLDXEAASA-N 1 0 349.400 4.030 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc3ccccc3c2)cc1 ZINC000765884038 1056055562 /nfs/dbraw/zinc/05/55/62/1056055562.db2.gz VYRAQOIKPDCPQF-UZUQRXQVSA-N 1 0 345.442 4.236 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2sccc2Cl)cc(OC)c1OC ZINC000785450811 1056074670 /nfs/dbraw/zinc/07/46/70/1056074670.db2.gz FUABXWOHYZXFPS-UHFFFAOYSA-N 1 0 337.872 4.437 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1c(C#N)cccc1C#N ZINC000302828354 1056076915 /nfs/dbraw/zinc/07/69/15/1056076915.db2.gz IQIVZJNPYNAKCC-KRWDZBQOSA-N 1 0 344.462 4.416 20 30 EIEDRO C[N@@H+]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000302840024 1056078336 /nfs/dbraw/zinc/07/83/36/1056078336.db2.gz ZVFZHTJZXFPCDF-QZTJIDSGSA-N 1 0 347.796 4.347 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2c(C#N)cccc2C#N)CC1 ZINC000302881027 1056083888 /nfs/dbraw/zinc/08/38/88/1056083888.db2.gz ISICVKPCCMSPJO-INIZCTEOSA-N 1 0 330.435 4.067 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000619508334 1056157521 /nfs/dbraw/zinc/15/75/21/1056157521.db2.gz XLISGDYGMHGAKS-UGSOOPFHSA-N 1 0 346.434 4.258 20 30 EIEDRO Cc1oc(NC(=O)C[N@@H+](C(C)C)[C@H](C)c2ccccc2)c(C#N)c1C ZINC000428841270 1056388264 /nfs/dbraw/zinc/38/82/64/1056388264.db2.gz PRRKFKNCGXIQOG-OAHLLOKOSA-N 1 0 339.439 4.178 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc2c(c1)CCCC2 ZINC000072707065 1056463487 /nfs/dbraw/zinc/46/34/87/1056463487.db2.gz BTUDMRHTBBLHBL-CVEARBPZSA-N 1 0 347.462 4.115 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cnn(C4CCC4)c3)c2)s1 ZINC000921763852 1056501934 /nfs/dbraw/zinc/50/19/34/1056501934.db2.gz BMZBPRKONFYUFY-UHFFFAOYSA-N 1 0 348.475 4.498 20 30 EIEDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCCCC1 ZINC000765926085 1056549481 /nfs/dbraw/zinc/54/94/81/1056549481.db2.gz KNXDIKKBRAFULH-DLBZAZTESA-N 1 0 349.519 4.276 20 30 EIEDRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC000073615673 1056584990 /nfs/dbraw/zinc/58/49/90/1056584990.db2.gz GRQHJQQAKDMGPY-KRWDZBQOSA-N 1 0 349.478 4.449 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000073618807 1056585381 /nfs/dbraw/zinc/58/53/81/1056585381.db2.gz GTGJBZDWRKLAFK-VXGBXAGGSA-N 1 0 345.830 4.099 20 30 EIEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCCC[C@@H]1O ZINC001168677532 1056672105 /nfs/dbraw/zinc/67/21/05/1056672105.db2.gz OTAFPBHHVOJECI-UNMCSNQZSA-N 1 0 334.463 4.208 20 30 EIEDRO CC[N@H+](CCc1nc(-c2ccccc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000074350240 1056683742 /nfs/dbraw/zinc/68/37/42/1056683742.db2.gz DPUJTLSSDMAXGC-MRXNPFEDSA-N 1 0 346.434 4.234 20 30 EIEDRO [NH2+]=C(N[C@H]1Cc2cccc(Cl)c2C1)c1ccc(C(F)(F)F)cc1 ZINC001168685494 1056730390 /nfs/dbraw/zinc/73/03/90/1056730390.db2.gz QSKXVCJVKXQHOG-ZDUSSCGKSA-N 1 0 338.760 4.232 20 30 EIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1csc(C#N)c1 ZINC000921887571 1056811282 /nfs/dbraw/zinc/81/12/82/1056811282.db2.gz HHDJIJNNGXFWLA-UHFFFAOYSA-N 1 0 343.521 4.089 20 30 EIEDRO CC(C)(C)CCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000499507030 1056832308 /nfs/dbraw/zinc/83/23/08/1056832308.db2.gz HACKTUBMHYGRIJ-UHFFFAOYSA-N 1 0 327.472 4.035 20 30 EIEDRO CCO[C@@H]1C[C@@H](/[NH+]=C\c2ccc(N(CC)CC)cc2O)C12CCC2 ZINC000741465636 1058223523 /nfs/dbraw/zinc/22/35/23/1058223523.db2.gz WOVATQJIPZISAL-OVYLHQNISA-N 1 0 330.472 4.005 20 30 EIEDRO CC(C)CCOc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000742382030 1058585455 /nfs/dbraw/zinc/58/54/55/1058585455.db2.gz YFLISKHYIIBFRE-UHFFFAOYSA-N 1 0 326.415 4.412 20 30 EIEDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000742372097 1058595213 /nfs/dbraw/zinc/59/52/13/1058595213.db2.gz RBJAKFLGGJHVMA-GOSISDBHSA-N 1 0 328.843 4.331 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2Cl)cc1 ZINC000742379231 1058604751 /nfs/dbraw/zinc/60/47/51/1058604751.db2.gz OJCNLTXYTWDXAL-INIZCTEOSA-N 1 0 343.854 4.299 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743260818 1058903705 /nfs/dbraw/zinc/90/37/05/1058903705.db2.gz JURPHLPYMRDQSC-LJQANCHMSA-N 1 0 328.843 4.157 20 30 EIEDRO CCN(CC)c1ccc(C=[NH+]Cc2nc3cc(C)ccc3[nH]2)c(O)c1 ZINC000745976592 1059944292 /nfs/dbraw/zinc/94/42/92/1059944292.db2.gz KQIHVDYLOIQYNG-MTJSOVHGSA-N 1 0 336.439 4.042 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000191464855 1060190755 /nfs/dbraw/zinc/19/07/55/1060190755.db2.gz HVXIXJJTPAHAOP-MRXNPFEDSA-N 1 0 329.488 4.002 20 30 EIEDRO CC[N@H+](Cc1c(C)cc(C#N)cc1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001168992587 1060569460 /nfs/dbraw/zinc/56/94/60/1060569460.db2.gz GHAKRYSQJDWYKT-JOCHJYFZSA-N 1 0 347.506 4.272 20 30 EIEDRO CC1(C)C[C@@H](Nc2nc3ccccc3cc2CC#N)C[C@](C)(C[NH3+])C1 ZINC001169139555 1060655642 /nfs/dbraw/zinc/65/56/42/1060655642.db2.gz BWPQSHHOXLOABE-UTKZUKDTSA-N 1 0 336.483 4.256 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001169471834 1060833737 /nfs/dbraw/zinc/83/37/37/1060833737.db2.gz CXHCAKQQIQFALP-FQEVSTJZSA-N 1 0 330.422 4.304 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[NH+]2CCC(c3cccc(Cl)c3)CC2)c1 ZINC001169686046 1060897738 /nfs/dbraw/zinc/89/77/38/1060897738.db2.gz DXBRNSUZSXVHPE-FQEVSTJZSA-N 1 0 340.854 4.125 20 30 EIEDRO N#CC12CCC(Nc3cc(Br)cc4c[nH+]cn43)(CC1)CC2 ZINC001169752308 1060930407 /nfs/dbraw/zinc/93/04/07/1060930407.db2.gz SZSFHPBVHUNSBJ-UHFFFAOYSA-N 1 0 345.244 4.125 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1 ZINC001169757721 1060946221 /nfs/dbraw/zinc/94/62/21/1060946221.db2.gz SDEIEEWVVTXZJK-NHCUHLMSSA-N 1 0 334.463 4.198 20 30 EIEDRO C=CC[N@H+](C1CCCCC1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169787169 1060968263 /nfs/dbraw/zinc/96/82/63/1060968263.db2.gz DDTAUEXLVWWFSO-FQEVSTJZSA-N 1 0 326.484 4.112 20 30 EIEDRO CC1(C)CC(=O)C=C(Nc2ccc(SC3CC[NH2+]CC3)cc2)C1 ZINC001169953435 1061051216 /nfs/dbraw/zinc/05/12/16/1061051216.db2.gz ROCLHHPKZJYYEY-UHFFFAOYSA-N 1 0 330.497 4.216 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000767357445 1061207096 /nfs/dbraw/zinc/20/70/96/1061207096.db2.gz AFVPYHGXLAJBSI-CYBMUJFWSA-N 1 0 329.241 4.214 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(Br)c1 ZINC000038012533 202084239 /nfs/dbraw/zinc/08/42/39/202084239.db2.gz HIYZDFAABNGJIZ-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(C#N)cc1 ZINC000532358515 1032148127 /nfs/dbraw/zinc/14/81/27/1032148127.db2.gz KLFQGAKYSRNMTQ-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCCC2(C)C)cc1OCCCC#N ZINC000237146582 1032225183 /nfs/dbraw/zinc/22/51/83/1032225183.db2.gz GGVXVAADHFWBBB-LJQANCHMSA-N 1 0 330.472 4.436 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCc2csc3ccccc23)O1 ZINC000360060285 1032235627 /nfs/dbraw/zinc/23/56/27/1032235627.db2.gz PROSHSJDDTYLON-OWYHZJEWSA-N 1 0 340.492 4.273 20 30 EIEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2cccc(C)c2)no1 ZINC001211975936 1032270124 /nfs/dbraw/zinc/27/01/24/1032270124.db2.gz UUJCRODALXBIKO-ROUUACIJSA-N 1 0 343.471 4.123 20 30 EIEDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000245501014 1032275435 /nfs/dbraw/zinc/27/54/35/1032275435.db2.gz BOKMYOZJDUHMFH-KKSFZXQISA-N 1 0 336.435 4.323 20 30 EIEDRO CCC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000508624110 1032284029 /nfs/dbraw/zinc/28/40/29/1032284029.db2.gz DEICVQSNQSBWBC-UHFFFAOYSA-N 1 0 348.425 4.500 20 30 EIEDRO COc1cc(C[NH+]2C3CCC2CC3)ccc1OCc1cccc(C#N)c1 ZINC000532915589 1032386185 /nfs/dbraw/zinc/38/61/85/1032386185.db2.gz BHJBISUITMXPCG-UHFFFAOYSA-N 1 0 348.446 4.273 20 30 EIEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)c1ccccc1Br ZINC000532986329 1032427996 /nfs/dbraw/zinc/42/79/96/1032427996.db2.gz TWVDIENNFZXVIA-UHFFFAOYSA-N 1 0 349.297 4.450 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000532987207 1032430266 /nfs/dbraw/zinc/43/02/66/1032430266.db2.gz ZREIOLRNIJASLB-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(Cl)c(N)c(Cl)c1 ZINC000760156727 1032466843 /nfs/dbraw/zinc/46/68/43/1032466843.db2.gz FZQGLDMUNOSMRX-VIFPVBQESA-N 1 0 338.213 4.437 20 30 EIEDRO COCc1ccc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529641090 1032501943 /nfs/dbraw/zinc/50/19/43/1032501943.db2.gz BJPRYNFSXBXCIW-MJGOQNOKSA-N 1 0 349.478 4.027 20 30 EIEDRO Cc1oc2ccccc2c1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000529681737 1032530578 /nfs/dbraw/zinc/53/05/78/1032530578.db2.gz XRFAIPSIVMYZGE-UHFFFAOYSA-N 1 0 346.430 4.408 20 30 EIEDRO COCCC[C@@H]([NH2+]CCCCC#N)c1ccc(Br)cc1 ZINC000178644026 1032541956 /nfs/dbraw/zinc/54/19/56/1032541956.db2.gz AZVDELRCLAPPKA-MRXNPFEDSA-N 1 0 339.277 4.200 20 30 EIEDRO N#CC1(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000450600974 1032567137 /nfs/dbraw/zinc/56/71/37/1032567137.db2.gz XOUWHHKZXOZRCL-LLVKDONJSA-N 1 0 329.391 4.035 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000533256715 1032570537 /nfs/dbraw/zinc/57/05/37/1032570537.db2.gz ODPIQAPWQMTRQU-KRWDZBQOSA-N 1 0 345.512 4.383 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H](C)C(C)C ZINC000533256569 1032569379 /nfs/dbraw/zinc/56/93/79/1032569379.db2.gz SDRYIXQZKZJBOC-JKSUJKDBSA-N 1 0 347.528 4.243 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1Nc1c(C#N)cnn1C(C)(C)C ZINC001211986419 1032592199 /nfs/dbraw/zinc/59/21/99/1032592199.db2.gz LVGRGYVWRLVSFS-UHFFFAOYSA-N 1 0 325.460 4.095 20 30 EIEDRO C[C@@H](C#N)Oc1ccccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000180205928 1032596260 /nfs/dbraw/zinc/59/62/60/1032596260.db2.gz HVODAOFDLARYAN-INIZCTEOSA-N 1 0 327.472 4.186 20 30 EIEDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000533287320 1032596288 /nfs/dbraw/zinc/59/62/88/1032596288.db2.gz XOEQIXXNWIRSOS-CQSZACIVSA-N 1 0 344.503 4.008 20 30 EIEDRO CC(C)(C)[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000533301371 1032629816 /nfs/dbraw/zinc/62/98/16/1032629816.db2.gz ATMHDNXVOADSNY-HNNXBMFYSA-N 1 0 333.501 4.097 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000181032635 1032640786 /nfs/dbraw/zinc/64/07/86/1032640786.db2.gz RMZXXDFBLRDZTF-IFXJQAMLSA-N 1 0 340.398 4.120 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000181032687 1032640988 /nfs/dbraw/zinc/64/09/88/1032640988.db2.gz RMZXXDFBLRDZTF-KUHUBIRLSA-N 1 0 340.398 4.120 20 30 EIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(OC)ccc1Cl ZINC000512408224 1032695682 /nfs/dbraw/zinc/69/56/82/1032695682.db2.gz CLBPSSHCZJGUEF-UHFFFAOYSA-N 1 0 335.831 4.012 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000455249455 1032779549 /nfs/dbraw/zinc/77/95/49/1032779549.db2.gz QMLPQLOGSNZMKI-SFHVURJKSA-N 1 0 343.515 4.487 20 30 EIEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000274735948 1019087207 /nfs/dbraw/zinc/08/72/07/1019087207.db2.gz IDRJYPWTERJJKS-KBPBESRZSA-N 1 0 333.501 4.044 20 30 EIEDRO C[C@H](CCC1CCCCC1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161688731 1019402939 /nfs/dbraw/zinc/40/29/39/1019402939.db2.gz DPGGOBALLIZPIO-QGZVFWFLSA-N 1 0 340.515 4.261 20 30 EIEDRO C=CC(C)(C)CC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001266291359 1019458082 /nfs/dbraw/zinc/45/80/82/1019458082.db2.gz CWIIPHWUSYYYGW-HKUYNNGSSA-N 1 0 328.500 4.006 20 30 EIEDRO CN(Cc1cn2cc(Cl)cc(Cl)c2n1)Cc1ccc(C#N)cc1 ZINC000157567322 1019462215 /nfs/dbraw/zinc/46/22/15/1019462215.db2.gz IUVQEOSGXIRGJQ-UHFFFAOYSA-N 1 0 345.233 4.145 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000538393238 1019580715 /nfs/dbraw/zinc/58/07/15/1019580715.db2.gz KBNGLOZNCWGQNZ-ZDUSSCGKSA-N 1 0 345.240 4.050 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2[nH]nc(C)c2C)C(C)(C)C)cc1 ZINC001204430525 1019795921 /nfs/dbraw/zinc/79/59/21/1019795921.db2.gz JBXFNMPWOUHIIM-UHFFFAOYSA-N 1 0 327.472 4.392 20 30 EIEDRO CC(C)[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)CC1CC1 ZINC000533495109 1019909556 /nfs/dbraw/zinc/90/95/56/1019909556.db2.gz UIIOBDSYENVWRM-OAHLLOKOSA-N 1 0 345.512 4.140 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000165246521 1019997402 /nfs/dbraw/zinc/99/74/02/1019997402.db2.gz SYLQCVUAPTYCHN-ZDUSSCGKSA-N 1 0 329.241 4.480 20 30 EIEDRO CCC(CC)(CC)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000471225459 1020020582 /nfs/dbraw/zinc/02/05/82/1020020582.db2.gz FLTGAMMXHDENKB-OAHLLOKOSA-N 1 0 347.528 4.435 20 30 EIEDRO CCOc1ccccc1C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000180039139 1020036378 /nfs/dbraw/zinc/03/63/78/1020036378.db2.gz ZOZUVKQFQOBKLV-UHFFFAOYSA-N 1 0 338.451 4.400 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@H](O)c1c(Cl)cccc1Cl ZINC000748099562 1020342283 /nfs/dbraw/zinc/34/22/83/1020342283.db2.gz ZAVGQMMMDOYYHK-PSLIRLAXSA-N 1 0 341.263 4.138 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000091901564 1032904014 /nfs/dbraw/zinc/90/40/14/1032904014.db2.gz KPQILHSDMHEKPB-CYBMUJFWSA-N 1 0 326.362 4.142 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)cc1 ZINC000119441541 1020524581 /nfs/dbraw/zinc/52/45/81/1020524581.db2.gz YLMGITOLTMWMIL-GOSISDBHSA-N 1 0 347.462 4.347 20 30 EIEDRO CC[N@H+](CCCCOc1ccc(Br)cc1)C[C@H](C)C#N ZINC001167251808 1020673855 /nfs/dbraw/zinc/67/38/55/1020673855.db2.gz KUIMGRNXSSWJQJ-CQSZACIVSA-N 1 0 339.277 4.090 20 30 EIEDRO CCO[C@H]1C[C@@H]([N@H+](C)CCCC2(C#N)CCOCC2)C12CCCCC2 ZINC000375609592 1020704472 /nfs/dbraw/zinc/70/44/72/1020704472.db2.gz BCANKNIHVFTOEY-MOPGFXCFSA-N 1 0 348.531 4.147 20 30 EIEDRO COCC[N@@H+](CC#Cc1ccccc1Cl)CCCc1ccccc1 ZINC001167270160 1020743285 /nfs/dbraw/zinc/74/32/85/1020743285.db2.gz DMXRXRFEJGFQKA-UHFFFAOYSA-N 1 0 341.882 4.273 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1Cl ZINC000121173924 1020749409 /nfs/dbraw/zinc/74/94/09/1020749409.db2.gz QANYBWWDDBTXSS-OAHLLOKOSA-N 1 0 331.847 4.008 20 30 EIEDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CCOCCC#N)cc2)c1 ZINC000579929692 1020846114 /nfs/dbraw/zinc/84/61/14/1020846114.db2.gz VDGATKBDACWFBI-SFHVURJKSA-N 1 0 338.451 4.155 20 30 EIEDRO N#Cc1cc(Cl)ccc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610275438 1020869382 /nfs/dbraw/zinc/86/93/82/1020869382.db2.gz NEWXNOAADMZEQP-UHFFFAOYSA-N 1 0 331.891 4.304 20 30 EIEDRO Cc1ccc(OCC[NH2+]Cc2cccc(OCCCC#N)c2)c(C)c1 ZINC000608860967 1020895352 /nfs/dbraw/zinc/89/53/52/1020895352.db2.gz BYSUBNYAOMUMDA-UHFFFAOYSA-N 1 0 338.451 4.155 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(OC(F)(F)F)cc1 ZINC000176944776 1020938362 /nfs/dbraw/zinc/93/83/62/1020938362.db2.gz FYIPRODRVOOZEN-SNVBAGLBSA-N 1 0 326.343 4.369 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000340442996 1021036807 /nfs/dbraw/zinc/03/68/07/1021036807.db2.gz DPSPHFWVFJQYSX-LJQANCHMSA-N 1 0 327.399 4.394 20 30 EIEDRO Cc1ccccc1CCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001167318691 1021074657 /nfs/dbraw/zinc/07/46/57/1021074657.db2.gz PZJHCRCHPVLRJS-UHFFFAOYSA-N 1 0 333.479 4.012 20 30 EIEDRO CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328680283 1021177190 /nfs/dbraw/zinc/17/71/90/1021177190.db2.gz BXOJYPPUDHBNJN-INIZCTEOSA-N 1 0 343.471 4.203 20 30 EIEDRO C[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1cccc(C#N)c1 ZINC000610345245 1021340866 /nfs/dbraw/zinc/34/08/66/1021340866.db2.gz YVKXKLXHEWGURE-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000610343915 1021343598 /nfs/dbraw/zinc/34/35/98/1021343598.db2.gz WHXOEZFVXUJBFK-ZIAGYGMSSA-N 1 0 341.842 4.198 20 30 EIEDRO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610346148 1021346610 /nfs/dbraw/zinc/34/66/10/1021346610.db2.gz MVPTUPOZYOIGCZ-CVEARBPZSA-N 1 0 349.478 4.361 20 30 EIEDRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610345991 1021348452 /nfs/dbraw/zinc/34/84/52/1021348452.db2.gz GQXBNGGNBMBYJF-HZPDHXFCSA-N 1 0 335.451 4.359 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001266555709 1021366110 /nfs/dbraw/zinc/36/61/10/1021366110.db2.gz RKNCSYGFMKJRDV-HSALFYBXSA-N 1 0 340.511 4.006 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2c[nH]nc2-c2ccccc2)C2CC2)cc1 ZINC000180028972 1021374786 /nfs/dbraw/zinc/37/47/86/1021374786.db2.gz LTNSFHCLMBPALK-UHFFFAOYSA-N 1 0 328.419 4.113 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(OCc2ccccn2)c1 ZINC000177687322 1021431706 /nfs/dbraw/zinc/43/17/06/1021431706.db2.gz SECZYNHWCHUACY-OAHLLOKOSA-N 1 0 349.459 4.445 20 30 EIEDRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000610363094 1021496380 /nfs/dbraw/zinc/49/63/80/1021496380.db2.gz TYTNUXUUMUHEFB-QGZVFWFLSA-N 1 0 347.462 4.035 20 30 EIEDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCCC[C@@H]12 ZINC000610367484 1021543073 /nfs/dbraw/zinc/54/30/73/1021543073.db2.gz JORDGSQCKKTUAO-FHLIZLRMSA-N 1 0 336.439 4.009 20 30 EIEDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)s1 ZINC000376177502 1021669560 /nfs/dbraw/zinc/66/95/60/1021669560.db2.gz IINYRVLYUXYQLL-IFXJQAMLSA-N 1 0 326.465 4.438 20 30 EIEDRO N#Cc1cc(Cl)ccc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000511417599 1021676320 /nfs/dbraw/zinc/67/63/20/1021676320.db2.gz XQPRVCMASBEJRS-UHFFFAOYSA-N 1 0 325.843 4.420 20 30 EIEDRO N#CCSc1ccccc1NC(=O)C[N@H+](C1CC1)C1CCCCC1 ZINC000610389871 1021714079 /nfs/dbraw/zinc/71/40/79/1021714079.db2.gz KBPYIZUHJWQJJD-UHFFFAOYSA-N 1 0 343.496 4.038 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccnc1Cl ZINC000177821678 1021720242 /nfs/dbraw/zinc/72/02/42/1021720242.db2.gz MFTIDUMJQHUUHP-CYBMUJFWSA-N 1 0 331.872 4.191 20 30 EIEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CC(C)(C)C1 ZINC000926733553 1021827863 /nfs/dbraw/zinc/82/78/63/1021827863.db2.gz NGIRKMARRPMITG-OAHLLOKOSA-N 1 0 349.519 4.084 20 30 EIEDRO Cc1cc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)oc1C ZINC001204532872 1021855055 /nfs/dbraw/zinc/85/50/55/1021855055.db2.gz IXLGJAUGVJWTNM-UHFFFAOYSA-N 1 0 344.842 4.465 20 30 EIEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000581580050 1021862290 /nfs/dbraw/zinc/86/22/90/1021862290.db2.gz DQIHDOHWGVRROV-IRXDYDNUSA-N 1 0 340.389 4.260 20 30 EIEDRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143379997 1021889965 /nfs/dbraw/zinc/88/99/65/1021889965.db2.gz HNZQKCGBANLOBU-CTNGQTDRSA-N 1 0 347.474 4.016 20 30 EIEDRO C[C@@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431814111 1021895553 /nfs/dbraw/zinc/89/55/53/1021895553.db2.gz OHDVWTIIEXEMFC-RHSMWYFYSA-N 1 0 340.858 4.072 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)ccc1Br ZINC000414144608 1021946796 /nfs/dbraw/zinc/94/67/96/1021946796.db2.gz NBISCLMXEFYZCV-SFHVURJKSA-N 1 0 341.252 4.406 20 30 EIEDRO C[N@H+](Cc1ccccc1NCc1nc(C#N)cs1)C1CCCCC1 ZINC000582389475 1021947301 /nfs/dbraw/zinc/94/73/01/1021947301.db2.gz NAWMIDRVLNRSSY-UHFFFAOYSA-N 1 0 340.496 4.391 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1OCC)CC1CCCCC1 ZINC001167392984 1021973599 /nfs/dbraw/zinc/97/35/99/1021973599.db2.gz YSMGDROVFGXDAT-UHFFFAOYSA-N 1 0 344.499 4.482 20 30 EIEDRO Cn1cc(C[NH2+]CC2(c3cccc(F)c3)CCCCC2)cc1C#N ZINC000480663712 1022135321 /nfs/dbraw/zinc/13/53/21/1022135321.db2.gz CQRSWLOVWQDEEO-UHFFFAOYSA-N 1 0 325.431 4.028 20 30 EIEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000472562680 1022258588 /nfs/dbraw/zinc/25/85/88/1022258588.db2.gz IWMAXBNOTAQASZ-QFBILLFUSA-N 1 0 327.472 4.081 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415947067 1022279448 /nfs/dbraw/zinc/27/94/48/1022279448.db2.gz VQQWQBLUJOKPSI-UHFFFAOYSA-N 1 0 329.469 4.078 20 30 EIEDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000180220526 1022305123 /nfs/dbraw/zinc/30/51/23/1022305123.db2.gz FCUBYUNRRHTVGI-INIZCTEOSA-N 1 0 330.435 4.292 20 30 EIEDRO CC[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000414247782 1022305320 /nfs/dbraw/zinc/30/53/20/1022305320.db2.gz DWWXDAOWSJYTPT-CQSZACIVSA-N 1 0 339.405 4.095 20 30 EIEDRO CC(C)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)OCC1CC1 ZINC000414251222 1022313877 /nfs/dbraw/zinc/31/38/77/1022313877.db2.gz BSABWHQPFIABAN-UHFFFAOYSA-N 1 0 326.484 4.185 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OCC2CC2)cc1 ZINC000580636166 1022330874 /nfs/dbraw/zinc/33/08/74/1022330874.db2.gz HRPRTBHIUNETCX-UHFFFAOYSA-N 1 0 341.451 4.139 20 30 EIEDRO N#CCC[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000376372382 1022342591 /nfs/dbraw/zinc/34/25/91/1022342591.db2.gz XOCJQBPRACOIHB-ATKRNPRHSA-N 1 0 334.463 4.451 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)c1 ZINC000341252909 1022347226 /nfs/dbraw/zinc/34/72/26/1022347226.db2.gz HQVJNBPXFYYDPP-OAHLLOKOSA-N 1 0 348.269 4.018 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)CCO2 ZINC000613516507 1022387615 /nfs/dbraw/zinc/38/76/15/1022387615.db2.gz GGCVLMXKLDTACT-UXHICEINSA-N 1 0 334.419 4.058 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Br)s1)c1cccc(C#N)c1 ZINC000181577133 1022436417 /nfs/dbraw/zinc/43/64/17/1022436417.db2.gz NJZMNBXEBPGFBO-LLVKDONJSA-N 1 0 335.270 4.276 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000584440365 1022499918 /nfs/dbraw/zinc/49/99/18/1022499918.db2.gz PAKKEHUYQLJWCV-ZDUSSCGKSA-N 1 0 348.368 4.306 20 30 EIEDRO CCc1nc(C)c([C@H](C)[NH2+]CCSCc2ccccc2C#N)s1 ZINC000177821136 1022531138 /nfs/dbraw/zinc/53/11/38/1022531138.db2.gz UIYQATVRAIUPMZ-ZDUSSCGKSA-N 1 0 345.537 4.470 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659013748 1022637236 /nfs/dbraw/zinc/63/72/36/1022637236.db2.gz ZLABPUAHYACGTQ-IBGZPJMESA-N 1 0 341.499 4.049 20 30 EIEDRO C=CCCCN(CC)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000893197921 1022659684 /nfs/dbraw/zinc/65/96/84/1022659684.db2.gz DZSBFDFAFFWKHA-AEFFLSMTSA-N 1 0 349.544 4.129 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccco1 ZINC000367616102 1022726745 /nfs/dbraw/zinc/72/67/45/1022726745.db2.gz KYEZDRYLMLKDPV-SQNIBIBYSA-N 1 0 330.472 4.058 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181587234 1022822492 /nfs/dbraw/zinc/82/24/92/1022822492.db2.gz UASQCMLWGILIKK-IBGZPJMESA-N 1 0 339.508 4.325 20 30 EIEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000472608065 1022838495 /nfs/dbraw/zinc/83/84/95/1022838495.db2.gz ONECSIYBDGEICF-SOLBZPMBSA-N 1 0 327.472 4.080 20 30 EIEDRO Cc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000190157102 1022847830 /nfs/dbraw/zinc/84/78/30/1022847830.db2.gz XKUNJHFWYVHMFT-ZDUSSCGKSA-N 1 0 329.241 4.480 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc2ccccc2n1C ZINC000610484343 1022858278 /nfs/dbraw/zinc/85/82/78/1022858278.db2.gz WSGNSZUMGWRRCT-MRXNPFEDSA-N 1 0 348.450 4.107 20 30 EIEDRO CC(C)c1ccc(OCC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000236681984 1022889540 /nfs/dbraw/zinc/88/95/40/1022889540.db2.gz LABZRIQNJABLHY-KRWDZBQOSA-N 1 0 338.451 4.269 20 30 EIEDRO FC(F)(F)[C@@H]1C[NH+](CC2CCC(F)(F)CC2)C[C@H]1C(F)(F)F ZINC000656453379 1022921547 /nfs/dbraw/zinc/92/15/47/1022921547.db2.gz WRRIVELTXQMPDR-NXEZZACHSA-N 1 0 339.270 4.485 20 30 EIEDRO FC(F)(F)[C@H]1C[NH+](CC2CCC(F)(F)CC2)C[C@@H]1C(F)(F)F ZINC000656453381 1022923337 /nfs/dbraw/zinc/92/33/37/1022923337.db2.gz WRRIVELTXQMPDR-UWVGGRQHSA-N 1 0 339.270 4.485 20 30 EIEDRO C[C@@H]1C[C@@H](N(C)Cc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000156980314 1022926433 /nfs/dbraw/zinc/92/64/33/1022926433.db2.gz RFTVCYXMHBKKLV-GCJKJVERSA-N 1 0 333.479 4.043 20 30 EIEDRO CC(C)(C#N)CCC[NH+]1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000363923267 1022971840 /nfs/dbraw/zinc/97/18/40/1022971840.db2.gz KIOLYYSRQNZCLV-UHFFFAOYSA-N 1 0 340.393 4.005 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+]Cc1cc(C#N)cs1)c1ccccc1Cl ZINC000236844235 1023018107 /nfs/dbraw/zinc/01/81/07/1023018107.db2.gz SUNAPYCFKJTOCJ-SFHVURJKSA-N 1 0 347.915 4.446 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000177855624 1023039118 /nfs/dbraw/zinc/03/91/18/1023039118.db2.gz VXSDLROXKNWDJQ-KRWDZBQOSA-N 1 0 328.412 4.055 20 30 EIEDRO C[N@H+](CCCCC(C)(C)C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388156273 1023082199 /nfs/dbraw/zinc/08/21/99/1023082199.db2.gz HNOIRCVQDXMPRD-FQEVSTJZSA-N 1 0 327.516 4.303 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1cccc(C#N)c1 ZINC000181434879 1023117781 /nfs/dbraw/zinc/11/77/81/1023117781.db2.gz BGRDMAGCARHOKN-LSDHHAIUSA-N 1 0 333.435 4.319 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(Cl)s1 ZINC000298745997 1023182169 /nfs/dbraw/zinc/18/21/69/1023182169.db2.gz CDVOQLKWKKXVIO-ZDUSSCGKSA-N 1 0 347.871 4.343 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@H]1COc2ccccc21 ZINC000169100306 1023237547 /nfs/dbraw/zinc/23/75/47/1023237547.db2.gz YECUDEYUOBTNQJ-OXJNMPFZSA-N 1 0 336.435 4.023 20 30 EIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)COCc1ccccc1 ZINC000181606740 1023244686 /nfs/dbraw/zinc/24/46/86/1023244686.db2.gz YJQQRAXANSOMGC-MSOLQXFVSA-N 1 0 338.451 4.092 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CS1 ZINC000414503124 1023250942 /nfs/dbraw/zinc/25/09/42/1023250942.db2.gz VSWVKYYWHZEVMR-KXBFYZLASA-N 1 0 338.476 4.121 20 30 EIEDRO N#CC1(CCC[N@@H+]2CCC[C@@H](c3ccccc3)CC2)CCOCC1 ZINC000376624987 1023251350 /nfs/dbraw/zinc/25/13/50/1023251350.db2.gz BIBGLUKWRNBIMY-HXUWFJFHSA-N 1 0 326.484 4.357 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417331589 1023269373 /nfs/dbraw/zinc/26/93/73/1023269373.db2.gz MLUYCCPBSRANQO-JFIBYHEFSA-N 1 0 327.428 4.282 20 30 EIEDRO N#CCCn1cc(C[NH2+]CCCc2ccccc2)c(-c2ccccc2)n1 ZINC000072713764 1023305782 /nfs/dbraw/zinc/30/57/82/1023305782.db2.gz FNVYNQCNYXSDPB-UHFFFAOYSA-N 1 0 344.462 4.186 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](CO)c3ccccc32)cc1Cl ZINC000376956939 1023340963 /nfs/dbraw/zinc/34/09/63/1023340963.db2.gz HYFOUEICDGZLMB-HNAYVOBHSA-N 1 0 343.854 4.215 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1nc(-c2ccccc2)no1)c1ccc(C#N)cc1 ZINC000377075784 1023366478 /nfs/dbraw/zinc/36/64/78/1023366478.db2.gz CVIKEAYZQUAEHI-HNAYVOBHSA-N 1 0 346.434 4.280 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)cc1C#N ZINC000728688798 1023394509 /nfs/dbraw/zinc/39/45/09/1023394509.db2.gz XYAYNYZRYIFFIK-UHFFFAOYSA-N 1 0 325.431 4.174 20 30 EIEDRO C[C@H]1CCC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000341226005 1023400135 /nfs/dbraw/zinc/40/01/35/1023400135.db2.gz VERWFQBAFFFUCE-RDJZCZTQSA-N 1 0 347.890 4.097 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)cc1 ZINC000175911915 1023415136 /nfs/dbraw/zinc/41/51/36/1023415136.db2.gz QOEMHOCMKXCMES-KDOFPFPSSA-N 1 0 325.843 4.141 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000341239694 1023422410 /nfs/dbraw/zinc/42/24/10/1023422410.db2.gz SYACKKVZFPPJLJ-UHFFFAOYSA-N 1 0 331.419 4.020 20 30 EIEDRO Cc1cc(C)c(C#N)c(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000477170315 1023470811 /nfs/dbraw/zinc/47/08/11/1023470811.db2.gz MCRJCKALLOAZER-GOSISDBHSA-N 1 0 340.515 4.051 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000276417341 1023480014 /nfs/dbraw/zinc/48/00/14/1023480014.db2.gz NGPWERHEOJFXDS-INIZCTEOSA-N 1 0 341.499 4.310 20 30 EIEDRO C=CCC[C@H](O)C[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000472748046 1023483182 /nfs/dbraw/zinc/48/31/82/1023483182.db2.gz ICAMFYKGMOGOKZ-NRFANRHFSA-N 1 0 343.511 4.107 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000583353158 1023513482 /nfs/dbraw/zinc/51/34/82/1023513482.db2.gz FVYBMSDDTIQGIF-NSHDSACASA-N 1 0 349.312 4.336 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3cc(N)ccc32)cc1Cl ZINC000656790736 1023531630 /nfs/dbraw/zinc/53/16/30/1023531630.db2.gz MFFUTGJMVOHJKC-SFHVURJKSA-N 1 0 328.843 4.264 20 30 EIEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000276438829 1023536620 /nfs/dbraw/zinc/53/66/20/1023536620.db2.gz OIAZDGABZNXPOH-JTQLQIEISA-N 1 0 334.769 4.194 20 30 EIEDRO CCCCCCCCC(=O)N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000377470083 1023557972 /nfs/dbraw/zinc/55/79/72/1023557972.db2.gz HMEWTNUWATYVBH-UHFFFAOYSA-N 1 0 345.531 4.255 20 30 EIEDRO COc1cc(C[NH2+]CC2(C#N)CCC2)c(-c2ccccc2)cc1OC ZINC000418142832 1023564503 /nfs/dbraw/zinc/56/45/03/1023564503.db2.gz NQVFQASTAXJTFJ-UHFFFAOYSA-N 1 0 336.435 4.154 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000418148952 1023566478 /nfs/dbraw/zinc/56/64/78/1023566478.db2.gz UOYWMFHQPLTCJL-LJQANCHMSA-N 1 0 342.389 4.369 20 30 EIEDRO C=CCC[N@@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000276479786 1023577332 /nfs/dbraw/zinc/57/73/32/1023577332.db2.gz SRRXYFDJNJFHAF-RYUDHWBXSA-N 1 0 331.485 4.091 20 30 EIEDRO CN1CC[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377667463 1023668810 /nfs/dbraw/zinc/66/88/10/1023668810.db2.gz KCDNAKBOQAJZOC-MSOLQXFVSA-N 1 0 333.907 4.395 20 30 EIEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000472827199 1023670249 /nfs/dbraw/zinc/67/02/49/1023670249.db2.gz RFTOLCRUWNGXEF-SFHVURJKSA-N 1 0 338.455 4.399 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759846015 1023715637 /nfs/dbraw/zinc/71/56/37/1023715637.db2.gz VCLFOTBWOZESHB-LJQANCHMSA-N 1 0 344.817 4.072 20 30 EIEDRO C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000644803233 1023735889 /nfs/dbraw/zinc/73/58/89/1023735889.db2.gz KRJRIIYMVGIPLL-VAMGGRTRSA-N 1 0 340.511 4.006 20 30 EIEDRO Cc1ccc(CNC(=[NH2+])Nc2ccccn2)c(OCCCC(C)C)c1 ZINC000177038047 1023739728 /nfs/dbraw/zinc/73/97/28/1023739728.db2.gz NXIAQYFSBRTBAO-UHFFFAOYSA-N 1 0 340.471 4.132 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000377777271 1023750945 /nfs/dbraw/zinc/75/09/45/1023750945.db2.gz KRKOKKGCVUJVGN-YADHBBJMSA-N 1 0 349.478 4.046 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000415667453 1023756029 /nfs/dbraw/zinc/75/60/29/1023756029.db2.gz AKAGHCMJODTVMV-IBGZPJMESA-N 1 0 341.499 4.047 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCc2ccccc2C(F)(F)F)cc1 ZINC000728711756 1023759749 /nfs/dbraw/zinc/75/97/49/1023759749.db2.gz PSMQHXSCKXWDPE-CQSZACIVSA-N 1 0 348.368 4.329 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178176339 1023779665 /nfs/dbraw/zinc/77/96/65/1023779665.db2.gz MOFNZWNQVOLWKN-CABCVRRESA-N 1 0 348.450 4.254 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000510475727 1023827593 /nfs/dbraw/zinc/82/75/93/1023827593.db2.gz VVMLOEMUHJCOCK-DENIHFKCSA-N 1 0 332.447 4.205 20 30 EIEDRO CCN(Cc1cc(C#N)cs1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000511668114 1023828224 /nfs/dbraw/zinc/82/82/24/1023828224.db2.gz RLZAVZVXMXPTTA-VQIMIIECSA-N 1 0 339.508 4.277 20 30 EIEDRO CCN(Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000511669253 1023828718 /nfs/dbraw/zinc/82/87/18/1023828718.db2.gz XIRFCCWZFOGPLX-GCJKJVERSA-N 1 0 333.479 4.216 20 30 EIEDRO COCc1ccccc1/C=C(\C)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000511725387 1023839301 /nfs/dbraw/zinc/83/93/01/1023839301.db2.gz AOBDLVVYAHFMBC-SFQUDFHCSA-N 1 0 332.447 4.387 20 30 EIEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167492417 1023955829 /nfs/dbraw/zinc/95/58/29/1023955829.db2.gz SCPPITOWLHDZOG-LEWJYISDSA-N 1 0 347.462 4.073 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000651740036 1023961921 /nfs/dbraw/zinc/96/19/21/1023961921.db2.gz OEZYPYLFYTYMNQ-XLIONFOSSA-N 1 0 329.484 4.217 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000661115355 1024240872 /nfs/dbraw/zinc/24/08/72/1024240872.db2.gz BROWWAQFGHYQHH-WFASDCNBSA-N 1 0 331.847 4.213 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)cc(C(F)(F)F)c1 ZINC001143517050 1024438514 /nfs/dbraw/zinc/43/85/14/1024438514.db2.gz AJLFSBJIZOCUKJ-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO N#CCC[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000090665371 1024457839 /nfs/dbraw/zinc/45/78/39/1024457839.db2.gz RHHINAAXFXYBPS-QFIPXVFZSA-N 1 0 333.479 4.286 20 30 EIEDRO C=C[C@@H](CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1ccccc1 ZINC001126143351 1024487958 /nfs/dbraw/zinc/48/79/58/1024487958.db2.gz UTJFVBIPIHPCQF-SCCNAQOGSA-N 1 0 340.511 4.069 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341758437 1024616661 /nfs/dbraw/zinc/61/66/61/1024616661.db2.gz PJOLCFNEMLVTRR-WOJBJXKFSA-N 1 0 348.446 4.448 20 30 EIEDRO CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341759802 1024625669 /nfs/dbraw/zinc/62/56/69/1024625669.db2.gz IDRVXHHCLLJFHB-LJQANCHMSA-N 1 0 336.435 4.133 20 30 EIEDRO CCOc1cc(CN(CC)C[C@H](C)C#N)ccc1OCC(F)(F)F ZINC000091983527 1024708581 /nfs/dbraw/zinc/70/85/81/1024708581.db2.gz JPKHGPAZGMPRTE-CYBMUJFWSA-N 1 0 344.377 4.008 20 30 EIEDRO CCN(Cc1cccc(OCc2ccccc2C#N)c1)C[C@@H](C)C#N ZINC000091983986 1024710132 /nfs/dbraw/zinc/71/01/32/1024710132.db2.gz DTIUUIKWIJTKAB-KRWDZBQOSA-N 1 0 333.435 4.119 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)c1 ZINC000510926394 1024832794 /nfs/dbraw/zinc/83/27/94/1024832794.db2.gz CUNVVYZXZLKAGI-GOSISDBHSA-N 1 0 341.252 4.140 20 30 EIEDRO C[NH+](C)CCCCC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066928581 1024847631 /nfs/dbraw/zinc/84/76/31/1024847631.db2.gz ZHDVTLFTHZIQHI-UHFFFAOYSA-N 1 0 337.423 4.021 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCC(F)(F)C2)c1 ZINC000610787775 1024850914 /nfs/dbraw/zinc/85/09/14/1024850914.db2.gz NWAMVPLDLWHVCS-GOSISDBHSA-N 1 0 342.389 4.415 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000662080318 1024851527 /nfs/dbraw/zinc/85/15/27/1024851527.db2.gz ONZMUYKCCYZGBT-OKILXGFUSA-N 1 0 329.469 4.352 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000662081607 1024851753 /nfs/dbraw/zinc/85/17/53/1024851753.db2.gz VYDPHLOOWLPATC-GASCZTMLSA-N 1 0 349.356 4.438 20 30 EIEDRO C=CCCC[C@H](C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)c1ccccc1 ZINC001126192980 1024852295 /nfs/dbraw/zinc/85/22/95/1024852295.db2.gz FDCUSFJZGWROFA-IBGZPJMESA-N 1 0 346.434 4.346 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCOc1c(OC)cccc1OC ZINC000662090398 1024858521 /nfs/dbraw/zinc/85/85/21/1024858521.db2.gz OCWKAJGEUIGNPA-CALCHBBNSA-N 1 0 331.456 4.046 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2ccc(Br)cc2o1 ZINC000662091434 1024861216 /nfs/dbraw/zinc/86/12/16/1024861216.db2.gz XVKWUJQWMOPYAH-BETUJISGSA-N 1 0 333.229 4.273 20 30 EIEDRO N#CCc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000248851633 1024873351 /nfs/dbraw/zinc/87/33/51/1024873351.db2.gz BIPXFMNUOQYFDZ-CEMLEFRQSA-N 1 0 331.463 4.075 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1OC ZINC000060833356 1025005066 /nfs/dbraw/zinc/00/50/66/1025005066.db2.gz LRBFRJYOFNGHAI-ZDUSSCGKSA-N 1 0 333.378 4.389 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000610829827 1025052686 /nfs/dbraw/zinc/05/26/86/1025052686.db2.gz NPLSZQASYSVBED-LLGFUMIMSA-N 1 0 325.500 4.252 20 30 EIEDRO Cc1cc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)ccc1C[NH+](C)C ZINC000458263763 1025080191 /nfs/dbraw/zinc/08/01/91/1025080191.db2.gz LLOGOGXMRQIXOS-UHFFFAOYSA-N 1 0 349.478 4.136 20 30 EIEDRO CCC[N@H+](CCCCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000096980625 1025158569 /nfs/dbraw/zinc/15/85/69/1025158569.db2.gz YRVWOJBOJZPAGB-UHFFFAOYSA-N 1 0 332.835 4.296 20 30 EIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610991853 1025214584 /nfs/dbraw/zinc/21/45/84/1025214584.db2.gz UFEXIPGXBWVRDD-UHFFFAOYSA-N 1 0 330.435 4.123 20 30 EIEDRO CCc1cccc2c(C3CC[NH+](Cc4ccnc(C#N)c4)CC3)c[nH]c21 ZINC000610991267 1025220649 /nfs/dbraw/zinc/22/06/49/1025220649.db2.gz BXPXCAIFNCLWLZ-UHFFFAOYSA-N 1 0 344.462 4.377 20 30 EIEDRO N#Cc1cc(CN(Cc2ccccc2C(F)(F)F)C2CC2)ccn1 ZINC000610992014 1025227258 /nfs/dbraw/zinc/22/72/58/1025227258.db2.gz OZNNLMFHNNJFQN-UHFFFAOYSA-N 1 0 331.341 4.137 20 30 EIEDRO COc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1C#N ZINC000610993795 1025230233 /nfs/dbraw/zinc/23/02/33/1025230233.db2.gz ISMYLLITJDLNEP-KRWDZBQOSA-N 1 0 338.476 4.181 20 30 EIEDRO C=C[C@H](CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000181549551 1025240771 /nfs/dbraw/zinc/24/07/71/1025240771.db2.gz VUIXTNLYDGTNFH-NLWGTHIKSA-N 1 0 340.511 4.116 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccccc2OCC2CC2)cc1 ZINC000236685772 1025277715 /nfs/dbraw/zinc/27/77/15/1025277715.db2.gz ROTHIROCEWRWJT-UHFFFAOYSA-N 1 0 335.447 4.167 20 30 EIEDRO C[C@@H](C#N)C[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000548523526 1025351864 /nfs/dbraw/zinc/35/18/64/1025351864.db2.gz YIXRMCWZYFMBDN-QWHCGFSZSA-N 1 0 347.256 4.119 20 30 EIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc(C#N)c1 ZINC000066972043 1025579764 /nfs/dbraw/zinc/57/97/64/1025579764.db2.gz QDQZUWQZWOCNPX-UHFFFAOYSA-N 1 0 330.435 4.157 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)cc1 ZINC000472080449 1025679356 /nfs/dbraw/zinc/67/93/56/1025679356.db2.gz OYZBEVPYUOTYIK-UHFFFAOYSA-N 1 0 335.451 4.163 20 30 EIEDRO CCOc1ccc(O)c(/C=N/Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000018138045 1025799207 /nfs/dbraw/zinc/79/92/07/1025799207.db2.gz MTPRFUAJVGKZRH-PXLXIMEGSA-N 1 0 338.451 4.006 20 30 EIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(N2CCOC2=O)c1 ZINC000278963644 1025870155 /nfs/dbraw/zinc/87/01/55/1025870155.db2.gz ZTOUEFBJEKGTCN-HNNXBMFYSA-N 1 0 329.444 4.014 20 30 EIEDRO C=CCN(Cc1cnc2ccc(Cl)cn12)Cc1cccc(C#N)c1 ZINC000512066792 1025870289 /nfs/dbraw/zinc/87/02/89/1025870289.db2.gz ISNCWBXWLUCZPJ-UHFFFAOYSA-N 1 0 336.826 4.048 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)ccc1OCc1ccccc1 ZINC000472142480 1026017909 /nfs/dbraw/zinc/01/79/09/1026017909.db2.gz PHOPOHSJHPSRIJ-MJGOQNOKSA-N 1 0 336.435 4.056 20 30 EIEDRO N#Cc1ccccc1C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000303162919 1026083619 /nfs/dbraw/zinc/08/36/19/1026083619.db2.gz HYTQCMNGMYOPBN-UHFFFAOYSA-N 1 0 332.447 4.438 20 30 EIEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551565391 1026219018 /nfs/dbraw/zinc/21/90/18/1026219018.db2.gz VDFUHMPIYCOZPU-OAHLLOKOSA-N 1 0 330.435 4.035 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000684767925 1026225427 /nfs/dbraw/zinc/22/54/27/1026225427.db2.gz VAEWXXLOPDXTLV-IAQYHMDHSA-N 1 0 331.790 4.012 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000319843602 1026249193 /nfs/dbraw/zinc/24/91/93/1026249193.db2.gz OQUXWNUFYUCIBS-KRWDZBQOSA-N 1 0 327.424 4.164 20 30 EIEDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000582212841 1026334606 /nfs/dbraw/zinc/33/46/06/1026334606.db2.gz CBZVFSUUJICPCU-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2cc(F)ccc2F)c(C(F)(F)F)c1 ZINC000519573540 1026408850 /nfs/dbraw/zinc/40/88/50/1026408850.db2.gz XVGNAUNYBONUMP-UHFFFAOYSA-N 1 0 340.295 4.188 20 30 EIEDRO COc1ccccc1C(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000611588159 1026483801 /nfs/dbraw/zinc/48/38/01/1026483801.db2.gz WMNAEVMZYWIQFZ-CQSZACIVSA-N 1 0 326.415 4.334 20 30 EIEDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)o1 ZINC000344637208 1026506660 /nfs/dbraw/zinc/50/66/60/1026506660.db2.gz WRROVGKLSDZVHF-MRXNPFEDSA-N 1 0 326.440 4.382 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512245168 1026572007 /nfs/dbraw/zinc/57/20/07/1026572007.db2.gz QAGZEZASGDWXTN-AUSIDOKSSA-N 1 0 345.490 4.217 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000182160101 1026617016 /nfs/dbraw/zinc/61/70/16/1026617016.db2.gz BSRTZQCPEIETDD-QQGDVQBRSA-N 1 0 328.362 4.017 20 30 EIEDRO C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000512295975 1026659722 /nfs/dbraw/zinc/65/97/22/1026659722.db2.gz OPIJDNKTWSGHCE-AWEZNQCLSA-N 1 0 334.435 4.250 20 30 EIEDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000507145709 1026662827 /nfs/dbraw/zinc/66/28/27/1026662827.db2.gz UVSRFEHRVXQMPS-HXUWFJFHSA-N 1 0 336.483 4.474 20 30 EIEDRO N#CC1(C[C@H](O)C[N@H+](Cc2cccc(F)c2)C2CCCC2)CCC1 ZINC001167984703 1026702243 /nfs/dbraw/zinc/70/22/43/1026702243.db2.gz WGSSWJGDQJFSTR-IBGZPJMESA-N 1 0 330.447 4.015 20 30 EIEDRO CCCCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000507221625 1026709122 /nfs/dbraw/zinc/70/91/22/1026709122.db2.gz MHZWZSAQXALXTO-UHFFFAOYSA-N 1 0 338.451 4.378 20 30 EIEDRO COc1ccc(OC)c(C[N@H+](Cc2cccc(C#N)c2)C(C)(C)C)c1 ZINC000507251385 1026717754 /nfs/dbraw/zinc/71/77/54/1026717754.db2.gz HGXORYCEHMEGST-UHFFFAOYSA-N 1 0 338.451 4.376 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657454905 1026778306 /nfs/dbraw/zinc/77/83/06/1026778306.db2.gz OBCUILFBCJQONL-OXJNMPFZSA-N 1 0 342.414 4.084 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657454903 1026779185 /nfs/dbraw/zinc/77/91/85/1026779185.db2.gz OBCUILFBCJQONL-JXFKEZNVSA-N 1 0 342.414 4.084 20 30 EIEDRO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000479469957 1026820682 /nfs/dbraw/zinc/82/06/82/1026820682.db2.gz XVZSKUDVIUSIIZ-MRXNPFEDSA-N 1 0 337.442 4.265 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCOC2CCCCC2)CC1 ZINC000507581029 1026841585 /nfs/dbraw/zinc/84/15/85/1026841585.db2.gz RIKPTIIXGBWGHX-UHFFFAOYSA-N 1 0 326.484 4.329 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C12CCC2 ZINC000507607821 1026853126 /nfs/dbraw/zinc/85/31/26/1026853126.db2.gz VCAUOQBQKOHUAR-JWFWCLOMSA-N 1 0 338.495 4.328 20 30 EIEDRO CCO[C@H]1C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C12CCC2 ZINC000507607831 1026853319 /nfs/dbraw/zinc/85/33/19/1026853319.db2.gz VCAUOQBQKOHUAR-YZDRJCRTSA-N 1 0 338.495 4.328 20 30 EIEDRO CO[C@@]1(C)C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1(C)C ZINC000507612368 1026854133 /nfs/dbraw/zinc/85/41/33/1026854133.db2.gz BANMCFQPFHSUQM-YWDUDDICSA-N 1 0 326.484 4.184 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H](CCO)C2CCCCC2)CC1 ZINC000507614765 1026855423 /nfs/dbraw/zinc/85/54/23/1026855423.db2.gz DUMWFTNSCRSQNL-ATKRNPRHSA-N 1 0 340.511 4.311 20 30 EIEDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630334 1026858771 /nfs/dbraw/zinc/85/87/71/1026858771.db2.gz PAWYSKYDHZMDAA-ONZKCSKKSA-N 1 0 339.527 4.101 20 30 EIEDRO COCc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000507650481 1026861007 /nfs/dbraw/zinc/86/10/07/1026861007.db2.gz AZTHURNQJPUONS-UHFFFAOYSA-N 1 0 334.463 4.327 20 30 EIEDRO CC#CCN(CC[NH+](CC)CC)Cc1ccc(Cl)c(Cl)c1 ZINC001167589685 1026861102 /nfs/dbraw/zinc/86/11/02/1026861102.db2.gz IMAOGTKOACQXQM-UHFFFAOYSA-N 1 0 327.299 4.161 20 30 EIEDRO CC1(C#N)CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000507695952 1026877603 /nfs/dbraw/zinc/87/76/03/1026877603.db2.gz YIODACCUXLMUTO-UHFFFAOYSA-N 1 0 348.494 4.351 20 30 EIEDRO COc1cc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)ccc1C#N ZINC000440651265 1026991432 /nfs/dbraw/zinc/99/14/32/1026991432.db2.gz WHJUWLGABIKAEW-LJQANCHMSA-N 1 0 330.378 4.332 20 30 EIEDRO CCN(C(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C)c1ccccc1 ZINC000519907750 1027039254 /nfs/dbraw/zinc/03/92/54/1027039254.db2.gz ARTARGRUMYNVOT-UHFFFAOYSA-N 1 0 349.478 4.069 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000178643403 1027059724 /nfs/dbraw/zinc/05/97/24/1027059724.db2.gz VXOAILSOWRSKJB-CVEARBPZSA-N 1 0 333.435 4.097 20 30 EIEDRO COCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000342808277 1027085033 /nfs/dbraw/zinc/08/50/33/1027085033.db2.gz AZPPSUDEVFNHSQ-KFNAQCHYSA-N 1 0 327.255 4.353 20 30 EIEDRO C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(C#N)c1 ZINC000237480423 1027243947 /nfs/dbraw/zinc/24/39/47/1027243947.db2.gz AOAFPFLQLZRLOM-ZDUSSCGKSA-N 1 0 334.341 4.134 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(Br)cc2Cl)CCOCC1 ZINC000657633095 1027346351 /nfs/dbraw/zinc/34/63/51/1027346351.db2.gz GMIPNNVPZFOMLK-UHFFFAOYSA-N 1 0 344.680 4.317 20 30 EIEDRO COc1ccc2cc(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)ccc2c1 ZINC000237284868 1027433253 /nfs/dbraw/zinc/43/32/53/1027433253.db2.gz YCNYFNBSJNJSOW-INIZCTEOSA-N 1 0 346.430 4.429 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000441330263 1027464135 /nfs/dbraw/zinc/46/41/35/1027464135.db2.gz FNFIOKIEOWLURP-UHFFFAOYSA-N 1 0 325.225 4.008 20 30 EIEDRO Cc1ccc(C#N)c(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000346843482 1027541516 /nfs/dbraw/zinc/54/15/16/1027541516.db2.gz XJAZQUXHUMKYOH-MRXNPFEDSA-N 1 0 334.467 4.106 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000544039512 1027573626 /nfs/dbraw/zinc/57/36/26/1027573626.db2.gz KTXHGKLHQAQBOO-DUXKGJEZSA-N 1 0 348.494 4.474 20 30 EIEDRO CSc1ccc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000280871302 1027594240 /nfs/dbraw/zinc/59/42/40/1027594240.db2.gz OFOTXEOAZLCIOE-OAHLLOKOSA-N 1 0 326.465 4.204 20 30 EIEDRO Cc1ccc([C@@H](CNC(=O)C[C@@H]2CCCC[C@H]2O)[NH+]2CCCC2)cc1 ZINC000329224287 1027656536 /nfs/dbraw/zinc/65/65/36/1027656536.db2.gz ZKOVWUYYIOBLSU-XUVXKRRUSA-N 1 0 344.499 4.030 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000237825511 1027683639 /nfs/dbraw/zinc/68/36/39/1027683639.db2.gz DVSDOPCOIQFDJM-HXUWFJFHSA-N 1 0 336.435 4.373 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(C)c(F)c2)cc(OC)c1OC ZINC000237309736 1027685920 /nfs/dbraw/zinc/68/59/20/1027685920.db2.gz AOQWFCXLIUVEDM-UHFFFAOYSA-N 1 0 329.415 4.170 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OCCCC)c(OC)c2)CC1 ZINC000106246336 1027696792 /nfs/dbraw/zinc/69/67/92/1027696792.db2.gz WKSSUBJZZSAKMD-UHFFFAOYSA-N 1 0 346.515 4.004 20 30 EIEDRO CCCC[C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000582933259 1027712807 /nfs/dbraw/zinc/71/28/07/1027712807.db2.gz APNZGOGEBBOVFP-OAHLLOKOSA-N 1 0 335.879 4.097 20 30 EIEDRO CCC(CC)(CNC(=O)C1(C#N)CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC000113189918 1027727562 /nfs/dbraw/zinc/72/75/62/1027727562.db2.gz STWWPBXZCLDIKK-QGZVFWFLSA-N 1 0 341.499 4.096 20 30 EIEDRO C[C@@H]1CCC[C@H](NC(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)[C@@H]1C ZINC000329379807 1027758240 /nfs/dbraw/zinc/75/82/40/1027758240.db2.gz NCSDMNKWRUGTDZ-HGNHLGAKSA-N 1 0 344.499 4.135 20 30 EIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCCc2nc(C)c(C)s2)cc1 ZINC000305046988 1027766530 /nfs/dbraw/zinc/76/65/30/1027766530.db2.gz AZKSMHBXEVXFOX-LBPRGKRZSA-N 1 0 330.501 4.243 20 30 EIEDRO CC(C)C[N@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccn1 ZINC000896664725 1027777598 /nfs/dbraw/zinc/77/75/98/1027777598.db2.gz KQNPHMXWQNMPTE-UHFFFAOYSA-N 1 0 337.467 4.422 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328683453 1027795637 /nfs/dbraw/zinc/79/56/37/1027795637.db2.gz DLKHHQVLKNOFLL-SWLSCSKDSA-N 1 0 349.862 4.256 20 30 EIEDRO O=C(NC1CC([NH+]2CCCCC2)C1)c1coc(C2CCCCC2)n1 ZINC000328741048 1027800946 /nfs/dbraw/zinc/80/09/46/1027800946.db2.gz IUCCAPQCQGEQGQ-UHFFFAOYSA-N 1 0 331.460 4.044 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000328752012 1027803824 /nfs/dbraw/zinc/80/38/24/1027803824.db2.gz CRNJCJSOVYQRDS-INIZCTEOSA-N 1 0 343.471 4.056 20 30 EIEDRO C#Cc1cccc(N(C)C(=O)c2ccc(C[N@@H+](CC)CCC)cc2)c1 ZINC000728536574 1027845856 /nfs/dbraw/zinc/84/58/56/1027845856.db2.gz NOEOHRSUFBJFJB-UHFFFAOYSA-N 1 0 334.463 4.176 20 30 EIEDRO COc1cccc(C[N@H+](CCCCC(C)(C)C#N)C[C@@H]2CCCO2)c1 ZINC000444594017 1027881957 /nfs/dbraw/zinc/88/19/57/1027881957.db2.gz IYDGEGXJUAVCMS-FQEVSTJZSA-N 1 0 344.499 4.396 20 30 EIEDRO CC[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)CC(F)(F)F ZINC000840960057 1027883696 /nfs/dbraw/zinc/88/36/96/1027883696.db2.gz DAIOEKALOAENEP-AWEZNQCLSA-N 1 0 327.394 4.105 20 30 EIEDRO CCC[N@H+](CCCCC(C)(C)C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000444655527 1027926808 /nfs/dbraw/zinc/92/68/08/1027926808.db2.gz WCCDEFBSIOSZKY-KRWDZBQOSA-N 1 0 329.488 4.446 20 30 EIEDRO COc1ccc(C[N@@H+]2CCCC(C)(C)CC2)cc1OCCCC#N ZINC000353664190 1027943223 /nfs/dbraw/zinc/94/32/23/1027943223.db2.gz GDURMUKLFDHZFO-UHFFFAOYSA-N 1 0 330.472 4.390 20 30 EIEDRO CC(C)(O)C(C)(C)[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444686675 1027945531 /nfs/dbraw/zinc/94/55/31/1027945531.db2.gz XVNHJZXLEZZWNX-UHFFFAOYSA-N 1 0 336.479 4.025 20 30 EIEDRO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCCC[C@@H]1C ZINC000444683083 1027964243 /nfs/dbraw/zinc/96/42/43/1027964243.db2.gz WULBGIWDVUWDOQ-BLLLJJGKSA-N 1 0 333.501 4.076 20 30 EIEDRO C=CC[C@@H]1[N@@H+](CCC(=O)N2CCc3sccc3C2)CCCC1(C)C ZINC000444786794 1028077736 /nfs/dbraw/zinc/07/77/36/1028077736.db2.gz VUWCGMNFBNGNAP-SFHVURJKSA-N 1 0 346.540 4.090 20 30 EIEDRO C=CC[C@@H]1N(C(=O)NCc2cccc(C[NH+](C)C)c2)CCCC1(C)C ZINC000444858091 1028132535 /nfs/dbraw/zinc/13/25/35/1028132535.db2.gz WPLJFSSUUGHNHO-IBGZPJMESA-N 1 0 343.515 4.025 20 30 EIEDRO C[C@@H]([NH2+]C1(CNC(=O)C2CCC(=O)CC2)CCCC1)c1ccccc1 ZINC000329902702 1028150891 /nfs/dbraw/zinc/15/08/91/1028150891.db2.gz PNXINKFHOWXKDJ-MRXNPFEDSA-N 1 0 342.483 4.366 20 30 EIEDRO O=C(CNC(=O)C1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329929385 1028157733 /nfs/dbraw/zinc/15/77/33/1028157733.db2.gz NLHLBPJRMNASMH-UHFFFAOYSA-N 1 0 349.519 4.277 20 30 EIEDRO Cc1nc(CN2CCC(CNC(=O)[C@H]3CC34CCCC4)CC2)oc1C ZINC000329968386 1028168080 /nfs/dbraw/zinc/16/80/80/1028168080.db2.gz TXCMAWCXSISOJD-QGZVFWFLSA-N 1 0 345.487 4.040 20 30 EIEDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000329961724 1028169154 /nfs/dbraw/zinc/16/91/54/1028169154.db2.gz RTHCDZGRQAMZNE-QGZVFWFLSA-N 1 0 346.519 4.450 20 30 EIEDRO C=CCCCCC[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000523551722 1028207493 /nfs/dbraw/zinc/20/74/93/1028207493.db2.gz CGTJPIZXOJDPGP-UHFFFAOYSA-N 1 0 328.909 4.038 20 30 EIEDRO N#Cc1ccccc1OCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000523583032 1028244874 /nfs/dbraw/zinc/24/48/74/1028244874.db2.gz QYVNFZVEUVKHJC-KRWDZBQOSA-N 1 0 326.827 4.080 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)c1 ZINC000657742421 1028255341 /nfs/dbraw/zinc/25/53/41/1028255341.db2.gz RCLOJAMXBXSXKN-NHCUHLMSSA-N 1 0 325.452 4.099 20 30 EIEDRO COc1cc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)ccc1C#N ZINC000440638570 1028288143 /nfs/dbraw/zinc/28/81/43/1028288143.db2.gz OILFBBVPIJZFSH-LSDHHAIUSA-N 1 0 326.362 4.025 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1nc(C(F)(F)F)ccc1C#N)CC(C)C ZINC000523755414 1028353658 /nfs/dbraw/zinc/35/36/58/1028353658.db2.gz YNUTZFMZSJUVKI-AWEZNQCLSA-N 1 0 342.409 4.140 20 30 EIEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000330306560 1028363862 /nfs/dbraw/zinc/36/38/62/1028363862.db2.gz ROIYRHZTXQNWIL-GFCCVEGCSA-N 1 0 336.386 4.353 20 30 EIEDRO COc1ccc(C[N@H+](C)C[C@H]2CC=CCC2)cc1OCCCC#N ZINC000346331682 1028389026 /nfs/dbraw/zinc/38/90/26/1028389026.db2.gz MAMNTPIEGAEACU-KRWDZBQOSA-N 1 0 328.456 4.166 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ccc(C#N)cc1 ZINC000572945573 1028451460 /nfs/dbraw/zinc/45/14/60/1028451460.db2.gz HWEVPYOCLVROHS-MRXNPFEDSA-N 1 0 349.356 4.135 20 30 EIEDRO N#CC1(CCC[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)CCOCC1 ZINC000281245855 1028472493 /nfs/dbraw/zinc/47/24/93/1028472493.db2.gz GMOMCELANXJSMC-SFTDATJTSA-N 1 0 340.511 4.478 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000346537320 1028488714 /nfs/dbraw/zinc/48/87/14/1028488714.db2.gz DBSWKZLMTGWLHR-LJQANCHMSA-N 1 0 349.478 4.071 20 30 EIEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCC3(C#N)CCOCC3)C2)cc1 ZINC000281432634 1028607192 /nfs/dbraw/zinc/60/71/92/1028607192.db2.gz SORAQYZKNHCADL-AZUAARDMSA-N 1 0 326.484 4.273 20 30 EIEDRO N#Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Oc1ccccc1 ZINC000428405166 1028643044 /nfs/dbraw/zinc/64/30/44/1028643044.db2.gz DGQSKQWHFJQSEK-OALUTQOASA-N 1 0 333.435 4.389 20 30 EIEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000330353942 1028647541 /nfs/dbraw/zinc/64/75/41/1028647541.db2.gz PAQSRIKJOIQFKN-LBPRGKRZSA-N 1 0 336.486 4.119 20 30 EIEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000583430038 1028719992 /nfs/dbraw/zinc/71/99/92/1028719992.db2.gz GKOVVZRWCCPRJH-FOIQADDNSA-N 1 0 344.462 4.423 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(Cl)cc2)ccc1C#N ZINC000440826642 1028832120 /nfs/dbraw/zinc/83/21/20/1028832120.db2.gz NTHJMRQGQYIDJG-BFUOFWGJSA-N 1 0 344.842 4.086 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(Cl)cc2)ccc1C#N ZINC000440826644 1028832756 /nfs/dbraw/zinc/83/27/56/1028832756.db2.gz NTHJMRQGQYIDJG-DJJJIMSYSA-N 1 0 344.842 4.086 20 30 EIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000281676450 1028834010 /nfs/dbraw/zinc/83/40/10/1028834010.db2.gz REDJXEFTERVIRQ-STQMWFEESA-N 1 0 328.378 4.367 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1Br ZINC000034992245 1028855673 /nfs/dbraw/zinc/85/56/73/1028855673.db2.gz VUCIKXQDXGRUAJ-CYBMUJFWSA-N 1 0 345.240 4.202 20 30 EIEDRO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000728569735 1028866206 /nfs/dbraw/zinc/86/62/06/1028866206.db2.gz KUCIVRLGIFPYSG-RXVVDRJESA-N 1 0 338.426 4.297 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccc(C#N)cc1 ZINC000281809895 1028872887 /nfs/dbraw/zinc/87/28/87/1028872887.db2.gz YXHOMFWSYJZVON-MRXNPFEDSA-N 1 0 349.356 4.135 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000278334747 1028909148 /nfs/dbraw/zinc/90/91/48/1028909148.db2.gz WXIHKAMKKNLXDY-MGPUTAFESA-N 1 0 349.434 4.317 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000278347236 1028954173 /nfs/dbraw/zinc/95/41/73/1028954173.db2.gz YLKQXHMZEBCGEF-HRAATJIYSA-N 1 0 347.462 4.487 20 30 EIEDRO N#CC1(CCC[NH+]2CCC(Cc3cccc(F)c3)CC2)CCOCC1 ZINC000281925555 1028968701 /nfs/dbraw/zinc/96/87/01/1028968701.db2.gz HNMNYAXOHPSUSJ-UHFFFAOYSA-N 1 0 344.474 4.181 20 30 EIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000445884824 1028973110 /nfs/dbraw/zinc/97/31/10/1028973110.db2.gz IVZAVHOQAROLBY-LBPRGKRZSA-N 1 0 336.304 4.226 20 30 EIEDRO CCN(CCC(C)(C)C#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000157497505 1029052470 /nfs/dbraw/zinc/05/24/70/1029052470.db2.gz FULOGNGNVSDDSF-UHFFFAOYSA-N 1 0 342.270 4.194 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1)C(C)C ZINC000246925640 1029203242 /nfs/dbraw/zinc/20/32/42/1029203242.db2.gz ICAYQJYDZIFUID-UTKZUKDTSA-N 1 0 341.499 4.119 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000524801806 1029230330 /nfs/dbraw/zinc/23/03/30/1029230330.db2.gz NEFSHNQSXAHQDE-HXUWFJFHSA-N 1 0 343.515 4.039 20 30 EIEDRO N#CCCC1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000583869462 1029301998 /nfs/dbraw/zinc/30/19/98/1029301998.db2.gz OXNQJIMFUMMOHD-UHFFFAOYSA-N 1 0 326.362 4.143 20 30 EIEDRO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(CC#N)cc2)cc1OC ZINC000583871735 1029308416 /nfs/dbraw/zinc/30/84/16/1029308416.db2.gz ZCPCUXHSPDUOKW-UHFFFAOYSA-N 1 0 344.842 4.103 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000192739044 1029381456 /nfs/dbraw/zinc/38/14/56/1029381456.db2.gz MDEDADCTJWHGDD-LSDHHAIUSA-N 1 0 348.372 4.063 20 30 EIEDRO C=C[C@@H](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000536165193 1029392985 /nfs/dbraw/zinc/39/29/85/1029392985.db2.gz IFFLSOMVVZIMKW-UGKGYDQZSA-N 1 0 348.490 4.300 20 30 EIEDRO CC1CCC(OC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000343532340 1029445708 /nfs/dbraw/zinc/44/57/08/1029445708.db2.gz PSDZTGJOJATFQM-UHFFFAOYSA-N 1 0 326.484 4.312 20 30 EIEDRO C[N@H+](Cc1cccc(F)c1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000428447050 1029456387 /nfs/dbraw/zinc/45/63/87/1029456387.db2.gz LFSNABQRZBPGOQ-XLIONFOSSA-N 1 0 342.389 4.189 20 30 EIEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)ccc2NC1=O ZINC000278564080 1029501486 /nfs/dbraw/zinc/50/14/86/1029501486.db2.gz BPRRRGQBCVSKSE-PBHICJAKSA-N 1 0 343.471 4.167 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)cc1Cl ZINC000657819304 1029536444 /nfs/dbraw/zinc/53/64/44/1029536444.db2.gz STNNUQRWOKCJEM-IFXJQAMLSA-N 1 0 331.843 4.117 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc(F)cc(F)c2)cc(OC)c1OC ZINC000161996491 1029562576 /nfs/dbraw/zinc/56/25/76/1029562576.db2.gz SHBJELSJXSDBTM-UHFFFAOYSA-N 1 0 333.378 4.000 20 30 EIEDRO CC[NH+](CC)CC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000475356675 1029571099 /nfs/dbraw/zinc/57/10/99/1029571099.db2.gz VHCDVYZNHFCKNO-UHFFFAOYSA-N 1 0 339.405 4.135 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000186325850 1029574021 /nfs/dbraw/zinc/57/40/21/1029574021.db2.gz YNPAEKATPICECR-FQEVSTJZSA-N 1 0 336.435 4.039 20 30 EIEDRO CC1(C)CCCN(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000446846105 1029608688 /nfs/dbraw/zinc/60/86/88/1029608688.db2.gz VLFNBYGRTBRWDG-UHFFFAOYSA-N 1 0 339.527 4.102 20 30 EIEDRO N#CC1(CCC[N@H+]2CCCC[C@H]2c2ccc(F)cc2)CCOCC1 ZINC000281996894 1029618542 /nfs/dbraw/zinc/61/85/42/1029618542.db2.gz NFURXHXEHCYAHG-IBGZPJMESA-N 1 0 330.447 4.453 20 30 EIEDRO C[C@@H]1CC([N@@H+]2CCC[C@@H](C#N)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168063948 1029622397 /nfs/dbraw/zinc/62/23/97/1029622397.db2.gz OPYIDOYNYBYBID-GUDVDZBRSA-N 1 0 325.500 4.054 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000525422834 1029633441 /nfs/dbraw/zinc/63/34/41/1029633441.db2.gz YDGFJGCGBCIVSP-NRFANRHFSA-N 1 0 338.451 4.275 20 30 EIEDRO C=C(C)C[N@H+](C/C=C/c1ccc(F)c(F)c1)Cc1ccc(CO)o1 ZINC000584140072 1029639568 /nfs/dbraw/zinc/63/95/68/1029639568.db2.gz PHYFVBZOZQZDDQ-ONEGZZNKSA-N 1 0 333.378 4.142 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000278652008 1029648219 /nfs/dbraw/zinc/64/82/19/1029648219.db2.gz ICQOMYCJAIWQBL-FAHJTYSBSA-N 1 0 326.465 4.098 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000447066718 1029680342 /nfs/dbraw/zinc/68/03/42/1029680342.db2.gz GZKOUJMVSCGSGF-CYBMUJFWSA-N 1 0 334.261 4.079 20 30 EIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000278685947 1029688906 /nfs/dbraw/zinc/68/89/06/1029688906.db2.gz RZMXMHYLXRBNJO-RXVVDRJESA-N 1 0 338.495 4.472 20 30 EIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C12CCCCC2 ZINC000525640851 1029719502 /nfs/dbraw/zinc/71/95/02/1029719502.db2.gz FIGDLTJFEBYVJZ-OALUTQOASA-N 1 0 330.447 4.257 20 30 EIEDRO COc1cccc(-c2noc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)n2)c1 ZINC000278739587 1029764587 /nfs/dbraw/zinc/76/45/87/1029764587.db2.gz LPRCDQIMIPRXKT-CQSZACIVSA-N 1 0 342.443 4.116 20 30 EIEDRO COc1cccc(C2([NH2+]CCCCC(C)(C)C#N)CCOCC2)c1F ZINC000447369425 1030038364 /nfs/dbraw/zinc/03/83/64/1030038364.db2.gz XBZFAJACJPDUGQ-UHFFFAOYSA-N 1 0 348.462 4.150 20 30 EIEDRO C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000447392829 1030057746 /nfs/dbraw/zinc/05/77/46/1030057746.db2.gz CNAAOFJJQRBUNS-ZDUSSCGKSA-N 1 0 333.863 4.051 20 30 EIEDRO N#Cc1cccc(Cl)c1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610275518 1030109388 /nfs/dbraw/zinc/10/93/88/1030109388.db2.gz XMQQDYJCYMQKSI-UHFFFAOYSA-N 1 0 331.891 4.304 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(C#N)cc1 ZINC000447528833 1030124091 /nfs/dbraw/zinc/12/40/91/1030124091.db2.gz IQKPEVOSFHNPBT-NRFANRHFSA-N 1 0 330.435 4.044 20 30 EIEDRO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000450956441 1030133452 /nfs/dbraw/zinc/13/34/52/1030133452.db2.gz IESYAXFUFDGJLN-NEWSRXKRSA-N 1 0 332.875 4.117 20 30 EIEDRO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000450958353 1030134451 /nfs/dbraw/zinc/13/44/51/1030134451.db2.gz MYYGVAFEHCPPSO-FHWLQOOXSA-N 1 0 332.875 4.117 20 30 EIEDRO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000450956444 1030135581 /nfs/dbraw/zinc/13/55/81/1030135581.db2.gz IESYAXFUFDGJLN-UHOSZYNNSA-N 1 0 332.875 4.117 20 30 EIEDRO CC[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000447559590 1030167356 /nfs/dbraw/zinc/16/73/56/1030167356.db2.gz ABRMQURRENYQCC-NRFANRHFSA-N 1 0 325.500 4.396 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447562816 1030173020 /nfs/dbraw/zinc/17/30/20/1030173020.db2.gz NHLJFSXSZINJLM-VQTJNVASSA-N 1 0 337.467 4.338 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(C#N)cc1 ZINC000447585652 1030183959 /nfs/dbraw/zinc/18/39/59/1030183959.db2.gz JSDBZRFCSAERFM-LPHOPBHVSA-N 1 0 341.405 4.156 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc(C)c1OCC(F)(F)F ZINC000429724546 1030239518 /nfs/dbraw/zinc/23/95/18/1030239518.db2.gz MYMZTKZSTXDNKI-HOCLYGCPSA-N 1 0 340.389 4.369 20 30 EIEDRO C=CCn1c(SCCC[NH+](CC)CC)nnc1-c1ccccc1F ZINC000530282426 1030265951 /nfs/dbraw/zinc/26/59/51/1030265951.db2.gz YJFHNVUMIJDVFU-UHFFFAOYSA-N 1 0 348.491 4.094 20 30 EIEDRO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451148569 1030274242 /nfs/dbraw/zinc/27/42/42/1030274242.db2.gz QQHYYVLATTXBRA-OUCADQQQSA-N 1 0 326.362 4.118 20 30 EIEDRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000127518445 1030380149 /nfs/dbraw/zinc/38/01/49/1030380149.db2.gz PMDWXVCEHIFLOB-KBPBESRZSA-N 1 0 341.842 4.198 20 30 EIEDRO COc1c(C)cnc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)c1C ZINC000451373497 1030455265 /nfs/dbraw/zinc/45/52/65/1030455265.db2.gz IUTNECSVVDPVIA-UHFFFAOYSA-N 1 0 337.467 4.140 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cccc4cnccc43)CC2)cc1 ZINC000611961414 1030483838 /nfs/dbraw/zinc/48/38/38/1030483838.db2.gz XRHKODJSDXJNQZ-UHFFFAOYSA-N 1 0 325.415 4.396 20 30 EIEDRO CC[N@H+]1CC=C(c2cnc(NCCc3ccc(C#N)cc3)c(C)c2)CC1 ZINC001167678498 1030487382 /nfs/dbraw/zinc/48/73/82/1030487382.db2.gz LAZWSGZGSGDSAZ-UHFFFAOYSA-N 1 0 346.478 4.025 20 30 EIEDRO COc1ccc(OC2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000527190798 1030547569 /nfs/dbraw/zinc/54/75/69/1030547569.db2.gz LWPDQLFDHFEXDI-INIZCTEOSA-N 1 0 336.435 4.171 20 30 EIEDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190961057 1030591113 /nfs/dbraw/zinc/59/11/13/1030591113.db2.gz VDHRCZCWBKYVAQ-LAUBAEHRSA-N 1 0 335.451 4.347 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc(OC)c1O ZINC000191656435 1030632729 /nfs/dbraw/zinc/63/27/29/1030632729.db2.gz LIQUURIBVXJDRY-GOSISDBHSA-N 1 0 339.435 4.002 20 30 EIEDRO N#Cc1ccc(CCNc2cc[nH+]c(C3(C(F)(F)F)CC3)c2)cc1 ZINC001167679468 1030736316 /nfs/dbraw/zinc/73/63/16/1030736316.db2.gz PZTDTAFIHGQAIO-UHFFFAOYSA-N 1 0 331.341 4.202 20 30 EIEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399174105 1030747643 /nfs/dbraw/zinc/74/76/43/1030747643.db2.gz JHBWOLXCLNEDGO-QFIPXVFZSA-N 1 0 347.506 4.143 20 30 EIEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CCOCC1 ZINC000451977021 1030815465 /nfs/dbraw/zinc/81/54/65/1030815465.db2.gz ZOKMMQKCXZKRQP-GOSISDBHSA-N 1 0 334.410 4.202 20 30 EIEDRO C=CCOCCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000658208281 1030882409 /nfs/dbraw/zinc/88/24/09/1030882409.db2.gz ZKHKPPDWACKFOO-CQSZACIVSA-N 1 0 330.291 4.144 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c(OC)c1 ZINC000527973538 1030987086 /nfs/dbraw/zinc/98/70/86/1030987086.db2.gz IRAVVYHIEUBGID-OLZOCXBDSA-N 1 0 328.387 4.126 20 30 EIEDRO C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)C#N ZINC000310043390 1030993280 /nfs/dbraw/zinc/99/32/80/1030993280.db2.gz GAKITVGDYHXVHE-HOTGVXAUSA-N 1 0 337.508 4.084 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1OCC(C)C ZINC000248914353 1031013396 /nfs/dbraw/zinc/01/33/96/1031013396.db2.gz VVZRREWXHYXICI-LZLYRXPVSA-N 1 0 330.472 4.463 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1OCC(C)C ZINC000248914350 1031014101 /nfs/dbraw/zinc/01/41/01/1031014101.db2.gz VVZRREWXHYXICI-JZXOWHBKSA-N 1 0 330.472 4.463 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000500230079 1031050905 /nfs/dbraw/zinc/05/09/05/1031050905.db2.gz IFOANBYWEKFGPZ-AWEZNQCLSA-N 1 0 342.464 4.018 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104701057 1031111654 /nfs/dbraw/zinc/11/16/54/1031111654.db2.gz YHFFLTDKJXNUMO-SFHVURJKSA-N 1 0 339.464 4.079 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccsc1 ZINC000532508727 1031228640 /nfs/dbraw/zinc/22/86/40/1031228640.db2.gz CSINLJDGOFCPQL-CZUORRHYSA-N 1 0 329.444 4.078 20 30 EIEDRO Cc1ccccc1[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000364688224 1031375687 /nfs/dbraw/zinc/37/56/87/1031375687.db2.gz ASCXFUFJBAKIAM-INIZCTEOSA-N 1 0 330.435 4.118 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000449081885 1031437916 /nfs/dbraw/zinc/43/79/16/1031437916.db2.gz ITWXGDDTOSXQCR-KLOIUYPJSA-N 1 0 340.471 4.094 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000449106641 1031446385 /nfs/dbraw/zinc/44/63/85/1031446385.db2.gz MZENKDLTXDSMMM-MUYFXNHWSA-N 1 0 331.529 4.022 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)CC1 ZINC000449106640 1031447396 /nfs/dbraw/zinc/44/73/96/1031447396.db2.gz MZENKDLTXDSMMM-LRYGQEGESA-N 1 0 331.529 4.022 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)cc1C#N ZINC000365092165 1031499038 /nfs/dbraw/zinc/49/90/38/1031499038.db2.gz WBGWDLLGCWWKIA-KRWDZBQOSA-N 1 0 348.475 4.187 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1F ZINC000531715870 1031504751 /nfs/dbraw/zinc/50/47/51/1031504751.db2.gz QEYJXMJWKKNSCW-GDBMZVCRSA-N 1 0 341.405 4.156 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2csc(CCc3ccccc3)n2)CC1 ZINC000449221233 1031552806 /nfs/dbraw/zinc/55/28/06/1031552806.db2.gz JXHGLGXWOMIDQN-UHFFFAOYSA-N 1 0 339.508 4.490 20 30 EIEDRO COc1ccccc1[C@H](C[NH2+]C1CCC(C)(C#N)CC1)OC(C)C ZINC000449247602 1031583666 /nfs/dbraw/zinc/58/36/66/1031583666.db2.gz GVXFTVQTOXJVTA-AJPWXKBRSA-N 1 0 330.472 4.223 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449302442 1031607077 /nfs/dbraw/zinc/60/70/77/1031607077.db2.gz JWLQXBPHEMXUOF-UHFFFAOYSA-N 1 0 339.508 4.348 20 30 EIEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449306449 1031611957 /nfs/dbraw/zinc/61/19/57/1031611957.db2.gz LLIIDDGUDLTAED-SNCIUUNGSA-N 1 0 339.527 4.349 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000449308442 1031614864 /nfs/dbraw/zinc/61/48/64/1031614864.db2.gz XHDGORFLRUGYDU-VXKCQOAXSA-N 1 0 349.272 4.335 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)ccc1C#N ZINC000449352963 1031673708 /nfs/dbraw/zinc/67/37/08/1031673708.db2.gz XKNUMOLUSKDQNI-GOSISDBHSA-N 1 0 328.362 4.012 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)c2ccccn2)ccc1OC ZINC000449397585 1031685432 /nfs/dbraw/zinc/68/54/32/1031685432.db2.gz QUAXWHNGVDXJQN-UHFFFAOYSA-N 1 0 340.467 4.113 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453208843 1031724718 /nfs/dbraw/zinc/72/47/18/1031724718.db2.gz HITYBVHWVLFWJV-ZGIUJUBFSA-N 1 0 346.902 4.350 20 30 EIEDRO Cn1ccnc1[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000453212548 1031726814 /nfs/dbraw/zinc/72/68/14/1031726814.db2.gz LUCHXCYUJLTUOW-JMLCCBQJSA-N 1 0 342.874 4.082 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2Br)C1 ZINC000449444706 1031739984 /nfs/dbraw/zinc/73/99/84/1031739984.db2.gz CQAADPONPKXWKA-GWCFXTLKSA-N 1 0 327.653 4.274 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449446311 1031742979 /nfs/dbraw/zinc/74/29/79/1031742979.db2.gz QKTDHTFVHFATJZ-RYUDHWBXSA-N 1 0 333.407 4.260 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)ccc1OC ZINC000449479502 1031775532 /nfs/dbraw/zinc/77/55/32/1031775532.db2.gz VFKKBCOPJFXFGC-SFHVURJKSA-N 1 0 345.483 4.089 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453284691 1031804797 /nfs/dbraw/zinc/80/47/97/1031804797.db2.gz BLGCXKGUSLVDMY-QANKJYHBSA-N 1 0 347.300 4.442 20 30 EIEDRO CC(C)[C@@H]1C[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC000449500997 1031810026 /nfs/dbraw/zinc/81/00/26/1031810026.db2.gz VPMHGFRKMIOHOG-YOLZPYMBSA-N 1 0 340.511 4.431 20 30 EIEDRO COC[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000453328661 1031821745 /nfs/dbraw/zinc/82/17/45/1031821745.db2.gz VGDUHKZXOLNZHC-PXNSSMCTSA-N 1 0 340.854 4.219 20 30 EIEDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000453313073 1031839039 /nfs/dbraw/zinc/83/90/39/1031839039.db2.gz DENOVFWLMACYEZ-RDTXWAMCSA-N 1 0 328.843 4.292 20 30 EIEDRO COCC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000449553675 1031841322 /nfs/dbraw/zinc/84/13/22/1031841322.db2.gz MLTDQHYEWMAMRU-GOSISDBHSA-N 1 0 348.368 4.444 20 30 EIEDRO Cc1nc(C(C)C)ccc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528784699 1031850456 /nfs/dbraw/zinc/85/04/56/1031850456.db2.gz PEAUCLWNKBTTID-UHFFFAOYSA-N 1 0 349.478 4.181 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000453322879 1031850621 /nfs/dbraw/zinc/85/06/21/1031850621.db2.gz ACXUTRAUUWGBQB-HONMWMINSA-N 1 0 336.229 4.189 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000453338727 1031862521 /nfs/dbraw/zinc/86/25/21/1031862521.db2.gz CPHUEPHEXJYCBR-APWZRJJASA-N 1 0 325.452 4.340 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000453348685 1031874210 /nfs/dbraw/zinc/87/42/10/1031874210.db2.gz HZHQCRVFRSIDLB-XYPHTWIQSA-N 1 0 328.481 4.421 20 30 EIEDRO COc1ccsc1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000531957098 1031875228 /nfs/dbraw/zinc/87/52/28/1031875228.db2.gz HOFPFQHGHOZSBA-UHFFFAOYSA-N 1 0 342.464 4.108 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000453365237 1031907552 /nfs/dbraw/zinc/90/75/52/1031907552.db2.gz RFSXSDQFPLECHV-HOTGVXAUSA-N 1 0 346.471 4.243 20 30 EIEDRO N#CCc1cccc(NC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000449698511 1031934594 /nfs/dbraw/zinc/93/45/94/1031934594.db2.gz NEIASHSYQNOBJD-UHFFFAOYSA-N 1 0 337.442 4.011 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1F ZINC000449735631 1031969978 /nfs/dbraw/zinc/96/99/78/1031969978.db2.gz RHLFNVUXEYVLOL-UHFFFAOYSA-N 1 0 333.410 4.191 20 30 EIEDRO CCC(C#N)(CC)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000528948897 1031970996 /nfs/dbraw/zinc/97/09/96/1031970996.db2.gz RQZJDFXTKTUHJW-UHFFFAOYSA-N 1 0 341.499 4.229 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000135287697 1032025600 /nfs/dbraw/zinc/02/56/00/1032025600.db2.gz XDVBIQSFUFMGIA-HKUYNNGSSA-N 1 0 338.451 4.169 20 30 EIEDRO C[N@H+](CCOc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000573537562 1033382758 /nfs/dbraw/zinc/38/27/58/1033382758.db2.gz RXCUDTOILISFNX-UHFFFAOYSA-N 1 0 334.341 4.088 20 30 EIEDRO CCN(Cc1ccc(Br)cc1SC)C[C@H](C)C#N ZINC000509771283 1033396286 /nfs/dbraw/zinc/39/62/86/1033396286.db2.gz FDEAFBDRYDDKOQ-LLVKDONJSA-N 1 0 327.291 4.153 20 30 EIEDRO CCN(Cc1ccc(Br)cc1SC)C[C@@H](C)C#N ZINC000509771286 1033398795 /nfs/dbraw/zinc/39/87/95/1033398795.db2.gz FDEAFBDRYDDKOQ-NSHDSACASA-N 1 0 327.291 4.153 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000429840648 1033407729 /nfs/dbraw/zinc/40/77/29/1033407729.db2.gz VUGMYEMFCCAWCJ-QGZVFWFLSA-N 1 0 328.500 4.137 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610985 1033492790 /nfs/dbraw/zinc/49/27/90/1033492790.db2.gz GTRNTNYNRQBQOR-GJZGRUSLSA-N 1 0 326.415 4.235 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccc(C#N)cc1F ZINC000512621264 1033514045 /nfs/dbraw/zinc/51/40/45/1033514045.db2.gz WAOZIAKDAQOJGF-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512631045 1033552771 /nfs/dbraw/zinc/55/27/71/1033552771.db2.gz PLXJEAGTETZPQE-UONOGXRCSA-N 1 0 342.414 4.435 20 30 EIEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169717 1033559208 /nfs/dbraw/zinc/55/92/08/1033559208.db2.gz LYLGKNNHFQKBPA-QFIPXVFZSA-N 1 0 347.506 4.194 20 30 EIEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc(C#N)cc1F ZINC000512635456 1033569788 /nfs/dbraw/zinc/56/97/88/1033569788.db2.gz HGSAQNPATAMCSG-GFCCVEGCSA-N 1 0 330.353 4.358 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000614171180 1033575778 /nfs/dbraw/zinc/57/57/78/1033575778.db2.gz DYEORURWMGDKCJ-QFIPXVFZSA-N 1 0 348.490 4.321 20 30 EIEDRO CCOC(=O)CCC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614176160 1033590822 /nfs/dbraw/zinc/59/08/22/1033590822.db2.gz NGUGQUDQMDHIAH-UHFFFAOYSA-N 1 0 342.483 4.043 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000614176900 1033595468 /nfs/dbraw/zinc/59/54/68/1033595468.db2.gz CIQHOSXQGZULNU-JOCHJYFZSA-N 1 0 348.490 4.261 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1-n1cccn1 ZINC000512647152 1033598978 /nfs/dbraw/zinc/59/89/78/1033598978.db2.gz GPPMXESFBPRTQX-LSDHHAIUSA-N 1 0 334.398 4.295 20 30 EIEDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2ccc(C#N)cc2F)n1 ZINC000512655389 1033630322 /nfs/dbraw/zinc/63/03/22/1033630322.db2.gz UCNNKXMRMUTSGP-MRXNPFEDSA-N 1 0 348.425 4.351 20 30 EIEDRO CCc1cccc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433013164 1033640032 /nfs/dbraw/zinc/64/00/32/1033640032.db2.gz NNJDRZAQIKQANS-HXUWFJFHSA-N 1 0 335.451 4.212 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)[C@H]1C ZINC000512665268 1033655357 /nfs/dbraw/zinc/65/53/57/1033655357.db2.gz DYDHGFQMMRPMJK-YFFANZOGSA-N 1 0 327.472 4.058 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666372 1033660450 /nfs/dbraw/zinc/66/04/50/1033660450.db2.gz KFCLFVRTQPUUEI-KBXCAEBGSA-N 1 0 343.471 4.247 20 30 EIEDRO C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(C#N)cc1F ZINC000512668313 1033667123 /nfs/dbraw/zinc/66/71/23/1033667123.db2.gz UMZHXTFGBSMWKK-MRXNPFEDSA-N 1 0 338.426 4.096 20 30 EIEDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433033737 1033690879 /nfs/dbraw/zinc/69/08/79/1033690879.db2.gz WOWUDEWXGRTNGS-GOSISDBHSA-N 1 0 339.395 4.128 20 30 EIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000178745531 1033895154 /nfs/dbraw/zinc/89/51/54/1033895154.db2.gz FOMNTZUUJIMAKI-SNVBAGLBSA-N 1 0 338.167 4.187 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000512814370 1034006614 /nfs/dbraw/zinc/00/66/14/1034006614.db2.gz FKSLXGBIIUJRFJ-FQEVSTJZSA-N 1 0 341.886 4.384 20 30 EIEDRO C[C@@H](C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000512838194 1034060527 /nfs/dbraw/zinc/06/05/27/1034060527.db2.gz BYSKCYMBZJROEH-INIZCTEOSA-N 1 0 338.426 4.344 20 30 EIEDRO C[C@H](C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000512838198 1034062081 /nfs/dbraw/zinc/06/20/81/1034062081.db2.gz BYSKCYMBZJROEH-MRXNPFEDSA-N 1 0 338.426 4.344 20 30 EIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433291818 1034182862 /nfs/dbraw/zinc/18/28/62/1034182862.db2.gz XIRXORPUWMQKDY-OAHLLOKOSA-N 1 0 335.289 4.253 20 30 EIEDRO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419334064 1034325057 /nfs/dbraw/zinc/32/50/57/1034325057.db2.gz UYWJHSQQBDSWNB-DLBZAZTESA-N 1 0 338.455 4.255 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)cc1 ZINC000513059698 1034384485 /nfs/dbraw/zinc/38/44/85/1034384485.db2.gz XDOQXNKKMZKOEL-UHFFFAOYSA-N 1 0 341.455 4.137 20 30 EIEDRO Cc1cc(C#N)ccc1CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000614397428 1034535241 /nfs/dbraw/zinc/53/52/41/1034535241.db2.gz UDLSZRJJWFWHRL-IBGZPJMESA-N 1 0 326.827 4.094 20 30 EIEDRO Cc1cc(C#N)ccc1CN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000614405824 1034552799 /nfs/dbraw/zinc/55/27/99/1034552799.db2.gz IKWOQLOCIBEHBN-IBGZPJMESA-N 1 0 326.827 4.094 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120651960 1034669517 /nfs/dbraw/zinc/66/95/17/1034669517.db2.gz FDUKSJSWIRQFAF-HNNXBMFYSA-N 1 0 330.435 4.375 20 30 EIEDRO COc1cc(C[NH+]2CCC(C#N)CC2)c(-c2ccccc2)cc1OC ZINC000123694626 1034755672 /nfs/dbraw/zinc/75/56/72/1034755672.db2.gz HNQBBWVFVGMJEW-UHFFFAOYSA-N 1 0 336.435 4.106 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000513215543 1034837435 /nfs/dbraw/zinc/83/74/35/1034837435.db2.gz ORISOIMEDSDWSW-KBPBESRZSA-N 1 0 342.405 4.169 20 30 EIEDRO COc1ccc(C#N)cc1NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000513352182 1034887787 /nfs/dbraw/zinc/88/77/87/1034887787.db2.gz ORVAHOOKFFQERI-MAUKXSAKSA-N 1 0 327.472 4.022 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000513384985 1034913325 /nfs/dbraw/zinc/91/33/25/1034913325.db2.gz RZMSLTZDSVXBBN-IBGZPJMESA-N 1 0 333.435 4.048 20 30 EIEDRO CC1([N@H+](Cc2ccc(C#N)o2)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000513457063 1034957532 /nfs/dbraw/zinc/95/75/32/1034957532.db2.gz UJXHXGGGDPPKIF-UHFFFAOYSA-N 1 0 338.407 4.215 20 30 EIEDRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC1(CC#N)CC1 ZINC000430017878 1035010592 /nfs/dbraw/zinc/01/05/92/1035010592.db2.gz JTEZAGDWKCVAGF-UHFFFAOYSA-N 1 0 336.483 4.012 20 30 EIEDRO C=CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000664212322 1035067080 /nfs/dbraw/zinc/06/70/80/1035067080.db2.gz IJCIOZYQJJIMPP-WBVHZDCISA-N 1 0 349.544 4.175 20 30 EIEDRO Cc1ccccc1C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513659837 1035095578 /nfs/dbraw/zinc/09/55/78/1035095578.db2.gz DMEINLPOVZSXCI-SFHVURJKSA-N 1 0 333.479 4.056 20 30 EIEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513683245 1035101118 /nfs/dbraw/zinc/10/11/18/1035101118.db2.gz IGTWMUFHWKNOPI-QFIPXVFZSA-N 1 0 331.463 4.113 20 30 EIEDRO CCOc1cc(C)ccc1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513697644 1035292840 /nfs/dbraw/zinc/29/28/40/1035292840.db2.gz QDCCFQBZTATKGK-UHFFFAOYSA-N 1 0 349.478 4.024 20 30 EIEDRO CSCCCCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000183187947 1035313191 /nfs/dbraw/zinc/31/31/91/1035313191.db2.gz UPFAWIDALMJNAE-UHFFFAOYSA-N 1 0 345.556 4.036 20 30 EIEDRO N#Cc1csc(CSCc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000419603242 1035383415 /nfs/dbraw/zinc/38/34/15/1035383415.db2.gz AZRNZNWJWCBQRR-UHFFFAOYSA-N 1 0 343.521 4.434 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)c1ccco1 ZINC000513707792 1035391977 /nfs/dbraw/zinc/39/19/77/1035391977.db2.gz IXXJDPWZFUIICH-IAGOWNOFSA-N 1 0 326.440 4.164 20 30 EIEDRO N#CC1(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000594981437 1035513013 /nfs/dbraw/zinc/51/30/13/1035513013.db2.gz PPHVZLGERFAKES-FQEVSTJZSA-N 1 0 337.511 4.247 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(F)c(Cl)c3)CCOCC2)c1 ZINC000594983237 1035515097 /nfs/dbraw/zinc/51/50/97/1035515097.db2.gz IXCRYHHXMPKNPT-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)o1 ZINC000594983162 1035515251 /nfs/dbraw/zinc/51/52/51/1035515251.db2.gz GHRTUSJCYNBAGG-KXBFYZLASA-N 1 0 336.435 4.070 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CCCC1 ZINC000594988287 1035520386 /nfs/dbraw/zinc/52/03/86/1035520386.db2.gz OZBMNWIOTUMINK-UHFFFAOYSA-N 1 0 328.456 4.356 20 30 EIEDRO N#CC1(CNCc2ccccc2OCc2ccccn2)CCCCC1 ZINC000594995908 1035524438 /nfs/dbraw/zinc/52/44/38/1035524438.db2.gz VIZNXVGYDDMRDE-UHFFFAOYSA-N 1 0 335.451 4.224 20 30 EIEDRO CCOc1cc(CNCC2(C#N)CCCCC2)cc(Cl)c1OC ZINC000594995354 1035524750 /nfs/dbraw/zinc/52/47/50/1035524750.db2.gz ONTGLRKKJYOHAH-UHFFFAOYSA-N 1 0 336.863 4.311 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)c(F)c1 ZINC000151140184 1035530944 /nfs/dbraw/zinc/53/09/44/1035530944.db2.gz DOIUZRGTTXNBSD-QGZVFWFLSA-N 1 0 345.215 4.237 20 30 EIEDRO C=CCCSCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000595059376 1035534588 /nfs/dbraw/zinc/53/45/88/1035534588.db2.gz NAUSNIXONSJNIW-CQSZACIVSA-N 1 0 340.920 4.264 20 30 EIEDRO C=CCCSCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000595059370 1035536570 /nfs/dbraw/zinc/53/65/70/1035536570.db2.gz NAUSNIXONSJNIW-AWEZNQCLSA-N 1 0 340.920 4.264 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C#N)CCCCC2)c(C)c1 ZINC000595101661 1035589018 /nfs/dbraw/zinc/58/90/18/1035589018.db2.gz YUBNINPHAVNDHL-KRWDZBQOSA-N 1 0 327.472 4.084 20 30 EIEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000595104979 1035589312 /nfs/dbraw/zinc/58/93/12/1035589312.db2.gz BZBSOKRRFMQBBK-KBYPABAUSA-N 1 0 348.490 4.145 20 30 EIEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595091672 1035599039 /nfs/dbraw/zinc/59/90/39/1035599039.db2.gz TUCCWRBLQWXJTF-INIZCTEOSA-N 1 0 327.472 4.030 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3ccc(O)cc32)CC1 ZINC000595093339 1035601512 /nfs/dbraw/zinc/60/15/12/1035601512.db2.gz ZZMQCDKQFLBLSE-NFOQDIRWSA-N 1 0 332.447 4.373 20 30 EIEDRO C=CCc1cc(C[NH2+]C(C)(C)c2cccc(C)c2)cc(OC)c1O ZINC000237099750 1035633853 /nfs/dbraw/zinc/63/38/53/1035633853.db2.gz LCIGOMUZQSWFHI-UHFFFAOYSA-N 1 0 325.452 4.463 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CC)Cc1cccs1 ZINC000485076408 1035661528 /nfs/dbraw/zinc/66/15/28/1035661528.db2.gz UTBOLCOFNFQHHQ-OAHLLOKOSA-N 1 0 348.537 4.235 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC000595384717 1035668911 /nfs/dbraw/zinc/66/89/11/1035668911.db2.gz OXNMCJIGXNLGPO-IBGZPJMESA-N 1 0 331.419 4.469 20 30 EIEDRO Cc1cccc2nc(C3CC[NH+](CCc4ccc(C#N)cc4)CC3)oc21 ZINC000595448502 1035683089 /nfs/dbraw/zinc/68/30/89/1035683089.db2.gz JFFKZYUJFCUUKG-UHFFFAOYSA-N 1 0 345.446 4.430 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(C(F)(F)F)c1 ZINC000595503851 1035689881 /nfs/dbraw/zinc/68/98/81/1035689881.db2.gz WYMKMRUWCOJMBY-MRXNPFEDSA-N 1 0 345.368 4.352 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000595631981 1035740265 /nfs/dbraw/zinc/74/02/65/1035740265.db2.gz ALDVZYUTGDMUQO-UHFFFAOYSA-N 1 0 343.352 4.474 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000595603140 1035745309 /nfs/dbraw/zinc/74/53/09/1035745309.db2.gz FYDYFRMJRFSDRB-HNNXBMFYSA-N 1 0 331.485 4.041 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000595615076 1035752949 /nfs/dbraw/zinc/75/29/49/1035752949.db2.gz OWQZZWRTUPWUPV-JHBSALDVSA-N 1 0 333.273 4.478 20 30 EIEDRO CCc1cccc(CC)c1NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595643205 1035756441 /nfs/dbraw/zinc/75/64/41/1035756441.db2.gz VNWBMGVWXPDHTN-UHFFFAOYSA-N 1 0 349.478 4.146 20 30 EIEDRO CCC1(CO)CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000491196290 1035822940 /nfs/dbraw/zinc/82/29/40/1035822940.db2.gz PYZVIUWYGUEIGD-UHFFFAOYSA-N 1 0 334.463 4.210 20 30 EIEDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(C)(C)C#N)cc1 ZINC000586773501 1035834786 /nfs/dbraw/zinc/83/47/86/1035834786.db2.gz OTDSMOVDDJOPML-UHFFFAOYSA-N 1 0 337.423 4.070 20 30 EIEDRO Cc1ccc([C@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000586790229 1035847498 /nfs/dbraw/zinc/84/74/98/1035847498.db2.gz RDMDRMBPVBEIQK-GOSISDBHSA-N 1 0 333.479 4.229 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000586789973 1035847552 /nfs/dbraw/zinc/84/75/52/1035847552.db2.gz VWSDDBVJFYYQMW-NRFANRHFSA-N 1 0 334.467 4.053 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1 ZINC000060208225 1035898363 /nfs/dbraw/zinc/89/83/63/1035898363.db2.gz OSVBPMBUTAFVIL-UHFFFAOYSA-N 1 0 345.421 4.337 20 30 EIEDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1Cl)CC2 ZINC000366743857 1035908544 /nfs/dbraw/zinc/90/85/44/1035908544.db2.gz KHKCJOVWQKEYLE-CJNGLKHVSA-N 1 0 342.874 4.197 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000485493187 1035937423 /nfs/dbraw/zinc/93/74/23/1035937423.db2.gz PXCCHVCTGZXKKH-INIZCTEOSA-N 1 0 346.540 4.205 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccsc1 ZINC000421018282 1035976821 /nfs/dbraw/zinc/97/68/21/1035976821.db2.gz WPUQTCCTIFPCAQ-OAHLLOKOSA-N 1 0 341.480 4.420 20 30 EIEDRO COc1cc(C)c(C[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000502253114 1036008464 /nfs/dbraw/zinc/00/84/64/1036008464.db2.gz UHCIDDXYKLRWAR-JKSUJKDBSA-N 1 0 338.451 4.166 20 30 EIEDRO C=C(C[NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000502256790 1036014953 /nfs/dbraw/zinc/01/49/53/1036014953.db2.gz ZMBOXVPZDQQOEZ-KRWDZBQOSA-N 1 0 325.452 4.246 20 30 EIEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)c1 ZINC000571450641 1036050157 /nfs/dbraw/zinc/05/01/57/1036050157.db2.gz DGEABSFJTLZSNA-OAQYLSRUSA-N 1 0 342.446 4.177 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000513741233 1036055543 /nfs/dbraw/zinc/05/55/43/1036055543.db2.gz ISYQONYFCOCHTQ-UPHRSURJSA-N 1 0 336.410 4.254 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC(c2ccnn2CCC)CC1 ZINC000502307765 1036085243 /nfs/dbraw/zinc/08/52/43/1036085243.db2.gz FYTFPQUMYPLANE-UHFFFAOYSA-N 1 0 339.483 4.238 20 30 EIEDRO C=C(C)C[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000597086090 1036100390 /nfs/dbraw/zinc/10/03/90/1036100390.db2.gz LURMOIVGUUVNMG-UHFFFAOYSA-N 1 0 339.414 4.404 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cnc(Cl)c(C)c2)cc(OC)c1OC ZINC000760669737 1036100469 /nfs/dbraw/zinc/10/04/69/1036100469.db2.gz MYDJJTQRLNXWMD-UHFFFAOYSA-N 1 0 346.858 4.079 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000060483781 1036137557 /nfs/dbraw/zinc/13/75/57/1036137557.db2.gz MRFNDMIQINOEAF-UHFFFAOYSA-N 1 0 338.838 4.307 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000597173168 1036140050 /nfs/dbraw/zinc/14/00/50/1036140050.db2.gz GQDPZDJYJYUGNE-CQSZACIVSA-N 1 0 348.372 4.017 20 30 EIEDRO N#CC[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000597174329 1036141415 /nfs/dbraw/zinc/14/14/15/1036141415.db2.gz OWWWBWWSQYDMMJ-GOSISDBHSA-N 1 0 348.494 4.351 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1OCCC(C)C ZINC000597173629 1036144189 /nfs/dbraw/zinc/14/41/89/1036144189.db2.gz LIULVEDIOJTUKW-QGZVFWFLSA-N 1 0 330.472 4.246 20 30 EIEDRO CCOc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc(Cl)c1O ZINC000597185556 1036153208 /nfs/dbraw/zinc/15/32/08/1036153208.db2.gz XOGKOFUGBRQERP-UHFFFAOYSA-N 1 0 344.842 4.341 20 30 EIEDRO C[C@H](C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)Cc1ccccc1 ZINC000597213015 1036155969 /nfs/dbraw/zinc/15/59/69/1036155969.db2.gz YSOHTFXHVUEPFE-SFHVURJKSA-N 1 0 334.463 4.032 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CC4(CCOCC4)[C@H]3c3ccco3)cc2)CC1 ZINC000597222132 1036169113 /nfs/dbraw/zinc/16/91/13/1036169113.db2.gz URVBNSTVHUXNTA-HXUWFJFHSA-N 1 0 348.446 4.188 20 30 EIEDRO C=CCC1([NH2+][C@H](C)CC(=O)Nc2ccccc2C(C)C)CCOCC1 ZINC000668552825 1036283115 /nfs/dbraw/zinc/28/31/15/1036283115.db2.gz ULVRROCNDCWFAF-QGZVFWFLSA-N 1 0 344.499 4.242 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)cc1F ZINC000421348631 1036292456 /nfs/dbraw/zinc/29/24/56/1036292456.db2.gz WOYXNIOZMAJIRB-UHFFFAOYSA-N 1 0 338.426 4.174 20 30 EIEDRO C[C@H](CCC#N)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000602455530 1036454579 /nfs/dbraw/zinc/45/45/79/1036454579.db2.gz SVRJFSJGYTYDAI-MRXNPFEDSA-N 1 0 342.462 4.030 20 30 EIEDRO C[N@H+](Cc1ccccc1NCc1cccc(C#N)n1)C1CCCCC1 ZINC000602489730 1036465441 /nfs/dbraw/zinc/46/54/41/1036465441.db2.gz NYKAJMBCGAQBLE-UHFFFAOYSA-N 1 0 334.467 4.330 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000602520636 1036477376 /nfs/dbraw/zinc/47/73/76/1036477376.db2.gz KESMTIMRFZDBTD-OAHLLOKOSA-N 1 0 339.414 4.107 20 30 EIEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)C ZINC000572274472 1036484451 /nfs/dbraw/zinc/48/44/51/1036484451.db2.gz CJEUITJUYPIEDY-ZWKOTPCHSA-N 1 0 327.472 4.130 20 30 EIEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000486118107 1036484576 /nfs/dbraw/zinc/48/45/76/1036484576.db2.gz RXOTUYKEPXMUTC-FQEVSTJZSA-N 1 0 333.435 4.032 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000602532113 1036493132 /nfs/dbraw/zinc/49/31/32/1036493132.db2.gz KGGVUMZHEWYHLJ-KRWDZBQOSA-N 1 0 332.451 4.114 20 30 EIEDRO CC1=C(C)C[C@@H]([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000602533703 1036496400 /nfs/dbraw/zinc/49/64/00/1036496400.db2.gz RANNDYWMLPPTMA-MJGOQNOKSA-N 1 0 338.499 4.037 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000602566414 1036496498 /nfs/dbraw/zinc/49/64/98/1036496498.db2.gz HTKRBLKUBRLHBA-QLFBSQMISA-N 1 0 332.410 4.044 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)COc1ncc(Cl)cc1Cl ZINC000602575265 1036499148 /nfs/dbraw/zinc/49/91/48/1036499148.db2.gz QMIAJKGMYBQYJY-NSHDSACASA-N 1 0 330.259 4.075 20 30 EIEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CCC(C#N)CC1 ZINC000602572245 1036500759 /nfs/dbraw/zinc/50/07/59/1036500759.db2.gz DGDAWFIOLUEUOQ-LKSINWNRSA-N 1 0 339.252 4.191 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000602630089 1036544664 /nfs/dbraw/zinc/54/46/64/1036544664.db2.gz TVYLTABMFUJPMM-YZGWKJHDSA-N 1 0 326.484 4.086 20 30 EIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602633804 1036546034 /nfs/dbraw/zinc/54/60/34/1036546034.db2.gz ZQYXZINGGPFOTC-NEPJUHHUSA-N 1 0 325.250 4.048 20 30 EIEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602633807 1036548265 /nfs/dbraw/zinc/54/82/65/1036548265.db2.gz ZQYXZINGGPFOTC-VXGBXAGGSA-N 1 0 325.250 4.048 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000602675901 1036552266 /nfs/dbraw/zinc/55/22/66/1036552266.db2.gz WQOKNTBKUOWINZ-RLLQIKCJSA-N 1 0 326.484 4.259 20 30 EIEDRO N#CCCC[C@@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)c1ccccc1 ZINC000602672767 1036553009 /nfs/dbraw/zinc/55/30/09/1036553009.db2.gz ZTKWFLTZRISDRN-MOPGFXCFSA-N 1 0 337.471 4.451 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000602707879 1036580435 /nfs/dbraw/zinc/58/04/35/1036580435.db2.gz BVVARBODIMAQOR-LBPRGKRZSA-N 1 0 327.255 4.182 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000602704861 1036582859 /nfs/dbraw/zinc/58/28/59/1036582859.db2.gz HDZQMNWUTMHONP-LBPRGKRZSA-N 1 0 327.255 4.182 20 30 EIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602706538 1036583675 /nfs/dbraw/zinc/58/36/75/1036583675.db2.gz PYNBAQLWJLFQFJ-GGAORHGYSA-N 1 0 345.490 4.058 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000602724062 1036595197 /nfs/dbraw/zinc/59/51/97/1036595197.db2.gz GKNQEQXSIVORGE-MLGOLLRUSA-N 1 0 328.287 4.126 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000602781079 1036622723 /nfs/dbraw/zinc/62/27/23/1036622723.db2.gz GZGQICQEAYDLPB-FCHUYYIVSA-N 1 0 332.447 4.031 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1Br ZINC000035018990 1036648324 /nfs/dbraw/zinc/64/83/24/1036648324.db2.gz JWOBJAOLXKCEMV-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)c(Cl)c1 ZINC000602883567 1036658460 /nfs/dbraw/zinc/65/84/60/1036658460.db2.gz OMTRWAPQSVMBSL-KRWDZBQOSA-N 1 0 348.837 4.144 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+]CC3(Cc4ccccc4)CCCC3)n2c1 ZINC000486388547 1036670458 /nfs/dbraw/zinc/67/04/58/1036670458.db2.gz PMAFGSZKCWOGAA-UHFFFAOYSA-N 1 0 344.462 4.099 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000598603482 1036704720 /nfs/dbraw/zinc/70/47/20/1036704720.db2.gz UKYOQROTZBMIIY-NHCUHLMSSA-N 1 0 336.479 4.251 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000598615993 1036715526 /nfs/dbraw/zinc/71/55/26/1036715526.db2.gz IQHWXGRMOIIRGP-BLLLJJGKSA-N 1 0 341.282 4.335 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598613401 1036716007 /nfs/dbraw/zinc/71/60/07/1036716007.db2.gz XDFSMXYKOISBBK-BBRMVZONSA-N 1 0 343.496 4.070 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)c1 ZINC000060970836 1036717044 /nfs/dbraw/zinc/71/70/44/1036717044.db2.gz IPOKUHIOCUKSAS-UHFFFAOYSA-N 1 0 340.426 4.450 20 30 EIEDRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598619705 1036718196 /nfs/dbraw/zinc/71/81/96/1036718196.db2.gz WQGDFZXMVIZSCB-IEBWSBKVSA-N 1 0 336.907 4.188 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000589284674 1036732048 /nfs/dbraw/zinc/73/20/48/1036732048.db2.gz RAWAIYKYWHVPEM-WOJBJXKFSA-N 1 0 339.870 4.055 20 30 EIEDRO CC(C)(C)OC(=O)CCCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000589340892 1036738220 /nfs/dbraw/zinc/73/82/20/1036738220.db2.gz TXDWCLJQKFZQHP-SFHVURJKSA-N 1 0 328.456 4.037 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc(N2CCCC2)n1 ZINC000589344412 1036740851 /nfs/dbraw/zinc/74/08/51/1036740851.db2.gz KTHMAJQIYBGSHC-NRFANRHFSA-N 1 0 346.478 4.029 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(CCOCc3ccccc3)CC1)CC2 ZINC000589343779 1036743016 /nfs/dbraw/zinc/74/30/16/1036743016.db2.gz YYCOGHHMMWOWHV-NRFANRHFSA-N 1 0 332.447 4.275 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000598704840 1036751790 /nfs/dbraw/zinc/75/17/90/1036751790.db2.gz VFXMQCYIHXIMIL-FQEVSTJZSA-N 1 0 336.479 4.099 20 30 EIEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000165298900 1036757818 /nfs/dbraw/zinc/75/78/18/1036757818.db2.gz AUJFPJGRGBCERP-CQSZACIVSA-N 1 0 341.842 4.233 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000598721100 1036759795 /nfs/dbraw/zinc/75/97/95/1036759795.db2.gz SFIZAGDQOMKGIO-SJORKVTESA-N 1 0 348.899 4.381 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1N[C@H](C)c1ccccc1 ZINC000908025022 1036779664 /nfs/dbraw/zinc/77/96/64/1036779664.db2.gz FRRWYDHXLVPHOE-QGZVFWFLSA-N 1 0 337.467 4.306 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486680315 1036815582 /nfs/dbraw/zinc/81/55/82/1036815582.db2.gz AQOCLJDRYSGQEJ-UHFFFAOYSA-N 1 0 339.439 4.202 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1OC(F)(F)F ZINC000421880746 1036830994 /nfs/dbraw/zinc/83/09/94/1036830994.db2.gz OPDRDLQPOIZUTR-JTQLQIEISA-N 1 0 326.343 4.369 20 30 EIEDRO CCC(F)(F)C(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000598972326 1036835956 /nfs/dbraw/zinc/83/59/56/1036835956.db2.gz PLHXBHRDERQFMU-UHFFFAOYSA-N 1 0 346.425 4.120 20 30 EIEDRO CN(C)c1c(F)c(F)ccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000598981677 1036838951 /nfs/dbraw/zinc/83/89/51/1036838951.db2.gz AIVMIOJKYDHBQR-GOSISDBHSA-N 1 0 341.405 4.070 20 30 EIEDRO C[C@H](CCc1ccccc1)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599002289 1036843182 /nfs/dbraw/zinc/84/31/82/1036843182.db2.gz IURIUXBYXKBKSV-LJQANCHMSA-N 1 0 348.490 4.422 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c(OC)c1 ZINC000598994601 1036845682 /nfs/dbraw/zinc/84/56/82/1036845682.db2.gz CHEOQRPMCBLBKE-HNNXBMFYSA-N 1 0 336.435 4.110 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000599011037 1036846595 /nfs/dbraw/zinc/84/65/95/1036846595.db2.gz XEXUWMGQKPDFPI-CSLYMUCUSA-N 1 0 335.854 4.120 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(C#N)s2)cc1 ZINC000486772833 1036847393 /nfs/dbraw/zinc/84/73/93/1036847393.db2.gz DIKBWKOSFGAQAO-AWEZNQCLSA-N 1 0 339.464 4.246 20 30 EIEDRO COc1ccc(C[NH2+]C[C@@H]2CCCC23CC3)cc1OCCCC#N ZINC000599015407 1036851701 /nfs/dbraw/zinc/85/17/01/1036851701.db2.gz DUXZLQNVGRZYBE-KRWDZBQOSA-N 1 0 328.456 4.048 20 30 EIEDRO C=CCOc1ccc(CNCCC[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000589637006 1036856075 /nfs/dbraw/zinc/85/60/75/1036856075.db2.gz XOPDCAHICOWXJL-INIZCTEOSA-N 1 0 336.907 4.259 20 30 EIEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)c1 ZINC000486795439 1036857300 /nfs/dbraw/zinc/85/73/00/1036857300.db2.gz COQLFUCTGUVCQT-HXUWFJFHSA-N 1 0 336.435 4.221 20 30 EIEDRO COc1ccc([C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000599095989 1036876621 /nfs/dbraw/zinc/87/66/21/1036876621.db2.gz JZQKMPBWFGDHKO-PZJWPPBQSA-N 1 0 333.435 4.080 20 30 EIEDRO CC[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593693053 1036894194 /nfs/dbraw/zinc/89/41/94/1036894194.db2.gz NBZZASGSAWSYAL-UTKZUKDTSA-N 1 0 325.500 4.081 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)ccc1C#N ZINC000569629660 1036941335 /nfs/dbraw/zinc/94/13/35/1036941335.db2.gz UFXVPSSVVYCUNR-ZDUSSCGKSA-N 1 0 346.377 4.328 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H](C3CC3)C3CCCC3)CC2)c1 ZINC000593725972 1036945591 /nfs/dbraw/zinc/94/55/91/1036945591.db2.gz UHTUMOCEHDHEAG-JOCHJYFZSA-N 1 0 337.511 4.081 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1C#N ZINC000599343072 1036957926 /nfs/dbraw/zinc/95/79/26/1036957926.db2.gz WTOOGXVLSCGCEK-UHFFFAOYSA-N 1 0 338.426 4.187 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487089008 1036979138 /nfs/dbraw/zinc/97/91/38/1036979138.db2.gz RMYWGWIHHFSYEO-LJQANCHMSA-N 1 0 343.515 4.342 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000590169996 1037010535 /nfs/dbraw/zinc/01/05/35/1037010535.db2.gz UBIYNDVXAYFVOE-LLVKDONJSA-N 1 0 349.312 4.336 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(Br)c1 ZINC000590261731 1037037423 /nfs/dbraw/zinc/03/74/23/1037037423.db2.gz PFTJUKXIFAKLPZ-LOWVWBTDSA-N 1 0 325.225 4.321 20 30 EIEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000467303736 1037054362 /nfs/dbraw/zinc/05/43/62/1037054362.db2.gz FAQKSGINUWVMOE-KRWDZBQOSA-N 1 0 338.451 4.101 20 30 EIEDRO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000272071026 1037091871 /nfs/dbraw/zinc/09/18/71/1037091871.db2.gz YYNHUOHBTILRTK-SFHVURJKSA-N 1 0 328.481 4.224 20 30 EIEDRO C=CCC1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCCC1 ZINC000599610781 1037097936 /nfs/dbraw/zinc/09/79/36/1037097936.db2.gz UANYRALVAJDVDH-UHFFFAOYSA-N 1 0 342.399 4.013 20 30 EIEDRO N#Cc1ccc(C2([NH2+]CCSC3CCCCC3)CCOCC2)cc1 ZINC000599633741 1037104141 /nfs/dbraw/zinc/10/41/41/1037104141.db2.gz JZYBYCDQBYOBQD-UHFFFAOYSA-N 1 0 344.524 4.219 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cc(C)ccc1C ZINC000599640592 1037105610 /nfs/dbraw/zinc/10/56/10/1037105610.db2.gz KHUQYXLRJFQDJU-LPHOPBHVSA-N 1 0 335.451 4.243 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1cc(C)ccc1C ZINC000599641512 1037105780 /nfs/dbraw/zinc/10/57/80/1037105780.db2.gz RVESADZFQCLMSH-LJQANCHMSA-N 1 0 335.451 4.245 20 30 EIEDRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000599653300 1037119047 /nfs/dbraw/zinc/11/90/47/1037119047.db2.gz TUSIXQOEKZTQCE-LGWLGOQQSA-N 1 0 333.273 4.319 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000590758581 1037156760 /nfs/dbraw/zinc/15/67/60/1037156760.db2.gz LBYYGZMUQPDSBC-UXHICEINSA-N 1 0 338.495 4.269 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000604046890 1037163943 /nfs/dbraw/zinc/16/39/43/1037163943.db2.gz CNWNHJHRNYQJIR-KGLIPLIRSA-N 1 0 341.842 4.198 20 30 EIEDRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000591016936 1037262130 /nfs/dbraw/zinc/26/21/30/1037262130.db2.gz AEECWXNRHQFRLD-YLJYHZDGSA-N 1 0 342.483 4.128 20 30 EIEDRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000591016935 1037262496 /nfs/dbraw/zinc/26/24/96/1037262496.db2.gz AEECWXNRHQFRLD-XLIONFOSSA-N 1 0 342.483 4.128 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(Nc3cccc(OCC#N)c3)CC2)C1 ZINC000272862970 1037316674 /nfs/dbraw/zinc/31/66/74/1037316674.db2.gz KXGRCPDVSSZCKH-VQIMIIECSA-N 1 0 327.472 4.044 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1 ZINC000183826428 1037350094 /nfs/dbraw/zinc/35/00/94/1037350094.db2.gz CGBLEHXJAUATDN-UHFFFAOYSA-N 1 0 340.224 4.092 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591348990 1037390655 /nfs/dbraw/zinc/39/06/55/1037390655.db2.gz ZLENTHVYLVVOQY-VXKWHMMOSA-N 1 0 327.431 4.475 20 30 EIEDRO Cc1cc(Br)cc(C)c1C[NH2+]Cc1ccc(C#N)cc1 ZINC000604502653 1037413307 /nfs/dbraw/zinc/41/33/07/1037413307.db2.gz BXLQNNPGPORWAU-UHFFFAOYSA-N 1 0 329.241 4.227 20 30 EIEDRO Cc1oc(NC(=O)CN(C)[C@H](C)c2cc(C)ccc2C)c(C#N)c1C ZINC000129731666 1037447030 /nfs/dbraw/zinc/44/70/30/1037447030.db2.gz ROWVYIWGXBQMCV-OAHLLOKOSA-N 1 0 339.439 4.016 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCOc2ccc3ccccc3c2)cc1 ZINC000171562978 1037485673 /nfs/dbraw/zinc/48/56/73/1037485673.db2.gz YWTFKBUHOAZUMY-QGZVFWFLSA-N 1 0 346.430 4.299 20 30 EIEDRO CSc1ccc([C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000573510765 1037576094 /nfs/dbraw/zinc/57/60/94/1037576094.db2.gz WFWJUVXSQLBNCJ-MGPUTAFESA-N 1 0 339.508 4.234 20 30 EIEDRO CC(C)[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000488571547 1037669756 /nfs/dbraw/zinc/66/97/56/1037669756.db2.gz GDCRHFIQUQVENF-HZPDHXFCSA-N 1 0 327.415 4.177 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000488727518 1037723673 /nfs/dbraw/zinc/72/36/73/1037723673.db2.gz OHROBCBLGTVOCH-IBGZPJMESA-N 1 0 339.483 4.322 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503379319 1037728674 /nfs/dbraw/zinc/72/86/74/1037728674.db2.gz VJBFSFFMTPCYSL-QGZVFWFLSA-N 1 0 331.463 4.146 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(C)cc1C)C(C)C ZINC000503412135 1037745190 /nfs/dbraw/zinc/74/51/90/1037745190.db2.gz UFVTZWQCRUXJBZ-LJQANCHMSA-N 1 0 329.488 4.124 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(SC)c1)C(C)C ZINC000503440215 1037761950 /nfs/dbraw/zinc/76/19/50/1037761950.db2.gz UMQUXKOFBJILKW-SFHVURJKSA-N 1 0 347.528 4.229 20 30 EIEDRO CC(C)CCC[C@@H](C)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058397186 1037764301 /nfs/dbraw/zinc/76/43/01/1037764301.db2.gz XMBYHBRABZPKLU-GOSISDBHSA-N 1 0 343.515 4.100 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1SC)C(C)C ZINC000503442671 1037768107 /nfs/dbraw/zinc/76/81/07/1037768107.db2.gz SSLNPXKXWXXVBK-QGZVFWFLSA-N 1 0 347.528 4.229 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000592392601 1037783438 /nfs/dbraw/zinc/78/34/38/1037783438.db2.gz SXRSRGQDZWTBTI-SNPRPXQTSA-N 1 0 327.859 4.351 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=S)Nc1ccc(C)cc1C)C(C)C ZINC000911614361 1037784506 /nfs/dbraw/zinc/78/45/06/1037784506.db2.gz PAAJBXRIERJKBW-IBGZPJMESA-N 1 0 345.556 4.288 20 30 EIEDRO COc1cc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)ccc1C#N ZINC000592377601 1037791817 /nfs/dbraw/zinc/79/18/17/1037791817.db2.gz XIXKGHJBVXNZET-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO CCOc1c(Cl)cc(C[NH+]2CCC(CCC#N)CC2)cc1OC ZINC000592517011 1037823655 /nfs/dbraw/zinc/82/36/55/1037823655.db2.gz NSVBJTGYDIQWJG-UHFFFAOYSA-N 1 0 336.863 4.263 20 30 EIEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000058525517 1037833109 /nfs/dbraw/zinc/83/31/09/1037833109.db2.gz BBKSPTALTZOYEQ-LJQANCHMSA-N 1 0 345.446 4.027 20 30 EIEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1ccc(C#N)cc1 ZINC000489072858 1037850547 /nfs/dbraw/zinc/85/05/47/1037850547.db2.gz UHTUVQVHYNLBCH-LJQANCHMSA-N 1 0 326.415 4.281 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000605875402 1037875416 /nfs/dbraw/zinc/87/54/16/1037875416.db2.gz AGIZCLOISANGSO-UHFFFAOYSA-N 1 0 343.515 4.170 20 30 EIEDRO C=C1CCC(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001127209096 1037883229 /nfs/dbraw/zinc/88/32/29/1037883229.db2.gz RXTDUIJVPUDSRG-UYAOXDASSA-N 1 0 340.511 4.150 20 30 EIEDRO C=C1CCC(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001127209093 1037884111 /nfs/dbraw/zinc/88/41/11/1037884111.db2.gz RXTDUIJVPUDSRG-AZUAARDMSA-N 1 0 340.511 4.150 20 30 EIEDRO C=C(C)[C@@H](N[C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423051475 1037938988 /nfs/dbraw/zinc/93/89/88/1037938988.db2.gz NLWDOECAGIAEGD-BFUOFWGJSA-N 1 0 331.410 4.095 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)C2)cc1F ZINC000503873713 1037957726 /nfs/dbraw/zinc/95/77/26/1037957726.db2.gz PHRLIBDZZOLDIZ-ZLIFDBKOSA-N 1 0 342.389 4.442 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCCO2)cc1 ZINC000503947423 1038017477 /nfs/dbraw/zinc/01/74/77/1038017477.db2.gz VGNAXUJLUHIJHX-NRFANRHFSA-N 1 0 338.426 4.269 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000606367598 1038035074 /nfs/dbraw/zinc/03/50/74/1038035074.db2.gz MKWBOOSUVLRNHR-SFHVURJKSA-N 1 0 342.527 4.460 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000574277181 1038049622 /nfs/dbraw/zinc/04/96/22/1038049622.db2.gz RZLARAKBBFHHNO-FQEVSTJZSA-N 1 0 335.407 4.218 20 30 EIEDRO C=C[C@@H]1CCCCN1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000489461691 1038061293 /nfs/dbraw/zinc/06/12/93/1038061293.db2.gz WVEDUGUBHRRSIA-OAHLLOKOSA-N 1 0 344.480 4.368 20 30 EIEDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000592501482 1038092633 /nfs/dbraw/zinc/09/26/33/1038092633.db2.gz BZOAFIWUVBWGDI-FQEVSTJZSA-N 1 0 345.450 4.061 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)C1 ZINC000593660163 1038117293 /nfs/dbraw/zinc/11/72/93/1038117293.db2.gz CGBICINQWXRWDK-HOCLYGCPSA-N 1 0 325.387 4.185 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C#N)CCCC2)c(Cl)c1 ZINC000593653129 1038117409 /nfs/dbraw/zinc/11/74/09/1038117409.db2.gz CNUKHLLWKCXTIX-CQSZACIVSA-N 1 0 333.863 4.039 20 30 EIEDRO CCc1cccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000593686114 1038124496 /nfs/dbraw/zinc/12/44/96/1038124496.db2.gz CYYLFZAOFFBFIT-UHFFFAOYSA-N 1 0 338.451 4.230 20 30 EIEDRO C=CCC[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000489610353 1038164712 /nfs/dbraw/zinc/16/47/12/1038164712.db2.gz UDHNREGBYCBEKQ-RBUKOAKNSA-N 1 0 342.508 4.217 20 30 EIEDRO C=CCC[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000489610351 1038166598 /nfs/dbraw/zinc/16/65/98/1038166598.db2.gz UDHNREGBYCBEKQ-OALUTQOASA-N 1 0 342.508 4.217 20 30 EIEDRO COc1cccc2c1ncc(C)c2NCc1ccc(C#N)c(OC)c1 ZINC000574494315 1038294698 /nfs/dbraw/zinc/29/46/98/1038294698.db2.gz ZHWLUSXBDLXZSE-UHFFFAOYSA-N 1 0 333.391 4.044 20 30 EIEDRO C=CCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2F)C1 ZINC000606897674 1038297309 /nfs/dbraw/zinc/29/73/09/1038297309.db2.gz SCMNUXSUIUYTOS-UHFFFAOYSA-N 1 0 339.414 4.404 20 30 EIEDRO C=CCCCCCN(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000606916483 1038307725 /nfs/dbraw/zinc/30/77/25/1038307725.db2.gz LANBIFDCCYUPEE-UHFFFAOYSA-N 1 0 343.515 4.170 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000574726699 1038320567 /nfs/dbraw/zinc/32/05/67/1038320567.db2.gz NYWXQKVKEJUUPF-HXUWFJFHSA-N 1 0 325.452 4.101 20 30 EIEDRO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594434225 1038334208 /nfs/dbraw/zinc/33/42/08/1038334208.db2.gz XWBZMKDIJDPWKV-LAUBAEHRSA-N 1 0 349.478 4.284 20 30 EIEDRO CCn1c2ccccc2c2cc(NC(=O)[C@H]([NH3+])CCCCC#N)ccc21 ZINC000594426230 1038340332 /nfs/dbraw/zinc/34/03/32/1038340332.db2.gz OAQULJJCSQNPLD-GOSISDBHSA-N 1 0 348.450 4.164 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000594496798 1038345449 /nfs/dbraw/zinc/34/54/49/1038345449.db2.gz WBVBSPHRCKYEOA-LEWJYISDSA-N 1 0 334.463 4.498 20 30 EIEDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000594496094 1038346025 /nfs/dbraw/zinc/34/60/25/1038346025.db2.gz GMUWVRGCEXHUAH-LJQANCHMSA-N 1 0 339.483 4.253 20 30 EIEDRO CCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000594500510 1038348875 /nfs/dbraw/zinc/34/88/75/1038348875.db2.gz WBFNTAQEUUBDRS-UHFFFAOYSA-N 1 0 326.415 4.315 20 30 EIEDRO Fc1ccc(C2([NH2+]CC#Cc3ccccc3Cl)CCOCC2)cc1 ZINC000490116806 1038349598 /nfs/dbraw/zinc/34/95/98/1038349598.db2.gz AMKDLNFKYCOKCO-UHFFFAOYSA-N 1 0 343.829 4.126 20 30 EIEDRO COc1ccc(OC)c([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594515687 1038358569 /nfs/dbraw/zinc/35/85/69/1038358569.db2.gz PJTWZRWSWXUWNJ-OAHLLOKOSA-N 1 0 336.435 4.305 20 30 EIEDRO COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594510392 1038358737 /nfs/dbraw/zinc/35/87/37/1038358737.db2.gz DKWZBCYBJXJLMZ-INIZCTEOSA-N 1 0 338.451 4.053 20 30 EIEDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000594518448 1038360602 /nfs/dbraw/zinc/36/06/02/1038360602.db2.gz JHVXOAFCGQTEOJ-QFIPXVFZSA-N 1 0 342.446 4.138 20 30 EIEDRO CC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000594520344 1038360751 /nfs/dbraw/zinc/36/07/51/1038360751.db2.gz NEBSIXFZIKRBEZ-RKDVLTNBSA-N 1 0 326.484 4.328 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cnc(-c4ccncc4)s3)CCC2)cc1 ZINC000594517211 1038361374 /nfs/dbraw/zinc/36/13/74/1038361374.db2.gz IEACAMDBKCTYRN-UHFFFAOYSA-N 1 0 346.459 4.246 20 30 EIEDRO CC[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(C(=O)OC)cc1 ZINC000594519197 1038361408 /nfs/dbraw/zinc/36/14/08/1038361408.db2.gz VGWHBYGTBHJOMZ-HXUWFJFHSA-N 1 0 348.446 4.465 20 30 EIEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000063508366 1038408880 /nfs/dbraw/zinc/40/88/80/1038408880.db2.gz SXYYTFUIYHOLNX-UHFFFAOYSA-N 1 0 343.833 4.063 20 30 EIEDRO Cc1ccn(-c2ccccc2C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594930727 1038418912 /nfs/dbraw/zinc/41/89/12/1038418912.db2.gz HOCDGEHLDZGDNJ-UHFFFAOYSA-N 1 0 342.446 4.026 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3cccnc3OC3CCCC3)cc2)CC1 ZINC000594914244 1038421882 /nfs/dbraw/zinc/42/18/82/1038421882.db2.gz GLLHSEMRWPXOKK-UHFFFAOYSA-N 1 0 347.462 4.248 20 30 EIEDRO COC(=O)CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594922367 1038425815 /nfs/dbraw/zinc/42/58/15/1038425815.db2.gz SRTGWDBTZRWKEB-HXUWFJFHSA-N 1 0 348.446 4.026 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCCCOc3ccc(F)cc3)cc2)CC1 ZINC000594915569 1038426683 /nfs/dbraw/zinc/42/66/83/1038426683.db2.gz VBZJTUPMWYLXRY-UHFFFAOYSA-N 1 0 338.426 4.330 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCCOc4ccc(F)cc43)cc2)CC1 ZINC000594922629 1038429545 /nfs/dbraw/zinc/42/95/45/1038429545.db2.gz GUEKHVZWENVUOJ-IBGZPJMESA-N 1 0 336.410 4.384 20 30 EIEDRO CO[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)cc1 ZINC000594929946 1038433371 /nfs/dbraw/zinc/43/33/71/1038433371.db2.gz QKZVOANHNIGKCQ-LJQANCHMSA-N 1 0 340.854 4.372 20 30 EIEDRO Cc1ccc(C[N@@H+](CCC(=O)Nc2ccccc2C#N)C(C)C)s1 ZINC000063565065 1038435675 /nfs/dbraw/zinc/43/56/75/1038435675.db2.gz UEZSLZOPUIIHIC-UHFFFAOYSA-N 1 0 341.480 4.167 20 30 EIEDRO C[C@H]1CCC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000574814804 1038455113 /nfs/dbraw/zinc/45/51/13/1038455113.db2.gz JZGISHNQOSTAMD-XJKSGUPXSA-N 1 0 333.863 4.051 20 30 EIEDRO COc1ccc2nc(C[NH2+]C(C)(C)c3cccc(C#N)c3)sc2c1 ZINC000594970052 1038485558 /nfs/dbraw/zinc/48/55/58/1038485558.db2.gz SCRIWRVHDZEEKO-UHFFFAOYSA-N 1 0 337.448 4.201 20 30 EIEDRO Cc1cc(C)cc(Oc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)c1 ZINC000424100867 1038494418 /nfs/dbraw/zinc/49/44/18/1038494418.db2.gz LTYGLPMYAVNXLX-LJQANCHMSA-N 1 0 337.423 4.055 20 30 EIEDRO COC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(Cl)cc1 ZINC000594940233 1038499826 /nfs/dbraw/zinc/49/98/26/1038499826.db2.gz XNSMAKXGBRFTGH-LJQANCHMSA-N 1 0 340.854 4.372 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C3CC(OCc4ccccc4)C3)cc2)CC1 ZINC000594946112 1038513028 /nfs/dbraw/zinc/51/30/28/1038513028.db2.gz OAISHIQGHPSRIX-UHFFFAOYSA-N 1 0 332.447 4.079 20 30 EIEDRO COCCC1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCCCC1 ZINC000594946113 1038520131 /nfs/dbraw/zinc/52/01/31/1038520131.db2.gz OBCXQLGHMCTXMD-UHFFFAOYSA-N 1 0 326.484 4.318 20 30 EIEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000424116827 1038603332 /nfs/dbraw/zinc/60/33/32/1038603332.db2.gz APKILHICJRJLPD-MSOLQXFVSA-N 1 0 347.890 4.099 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000424289755 1038768142 /nfs/dbraw/zinc/76/81/42/1038768142.db2.gz ADXWAILOCIHDEM-RFUYNDQBSA-N 1 0 345.874 4.076 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000424292804 1038771632 /nfs/dbraw/zinc/77/16/32/1038771632.db2.gz HLWMXYRSKQMONY-CAMMJAKZSA-N 1 0 333.447 4.041 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000424293670 1038772562 /nfs/dbraw/zinc/77/25/62/1038772562.db2.gz JCHPICFYZKHAAZ-IGCXYCKISA-N 1 0 332.444 4.191 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000424299506 1038775464 /nfs/dbraw/zinc/77/54/64/1038775464.db2.gz VLOFDDOKDFJRRT-DXCHVLGVSA-N 1 0 325.374 4.132 20 30 EIEDRO C=CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000667195704 1038804735 /nfs/dbraw/zinc/80/47/35/1038804735.db2.gz DPPHATFVHQJBPR-BEFAXECRSA-N 1 0 327.472 4.056 20 30 EIEDRO C=CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000667195705 1038805531 /nfs/dbraw/zinc/80/55/31/1038805531.db2.gz DPPHATFVHQJBPR-DNVCBOLYSA-N 1 0 327.472 4.056 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)c2ncccc2C)cc1OC ZINC000554982526 1038819017 /nfs/dbraw/zinc/81/90/17/1038819017.db2.gz UQMFCZQAOVYMBM-UHFFFAOYSA-N 1 0 340.467 4.031 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCOC2CCCCCC2)c1 ZINC000118454143 1038834740 /nfs/dbraw/zinc/83/47/40/1038834740.db2.gz ALHJYOMFGKAVMJ-UHFFFAOYSA-N 1 0 330.472 4.198 20 30 EIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075766212 1038843324 /nfs/dbraw/zinc/84/33/24/1038843324.db2.gz LZIOGCYEOARVIE-GOSISDBHSA-N 1 0 338.455 4.399 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000174131877 1038847747 /nfs/dbraw/zinc/84/77/47/1038847747.db2.gz CQAYQEBBAMANOG-IRXDYDNUSA-N 1 0 346.434 4.014 20 30 EIEDRO C=C[C@@H](CC(=O)NC[C@H](c1ccco1)[NH+](CC)CC)c1ccccc1 ZINC000119259791 1038872809 /nfs/dbraw/zinc/87/28/09/1038872809.db2.gz RNMPDLUUKJOPJD-PKOBYXMFSA-N 1 0 340.467 4.139 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000539229135 1038892665 /nfs/dbraw/zinc/89/26/65/1038892665.db2.gz FNIQUKILMGDWPP-CQSZACIVSA-N 1 0 349.352 4.296 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000505040586 1038894431 /nfs/dbraw/zinc/89/44/31/1038894431.db2.gz VVRWMNYNJSTBKX-KRWDZBQOSA-N 1 0 343.496 4.291 20 30 EIEDRO C=CCC1(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000555174429 1038930793 /nfs/dbraw/zinc/93/07/93/1038930793.db2.gz QVJIDEGXRGKEGE-HXUWFJFHSA-N 1 0 340.511 4.151 20 30 EIEDRO CC(C)C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000539297619 1038947926 /nfs/dbraw/zinc/94/79/26/1038947926.db2.gz LTZRZIAMCGLMPJ-MJGOQNOKSA-N 1 0 349.906 4.071 20 30 EIEDRO CC[C@@](C)([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nc(C)cs1 ZINC000174501417 1038977822 /nfs/dbraw/zinc/97/78/22/1038977822.db2.gz SQVHRXPCUYKAKU-KBXCAEBGSA-N 1 0 329.469 4.157 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N[C@H](C)CC)c1ccc(C(F)(F)F)cc1 ZINC000539331349 1038978769 /nfs/dbraw/zinc/97/87/69/1038978769.db2.gz JBVUWTXEWPNPIW-CZUORRHYSA-N 1 0 342.405 4.217 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)NCC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000539333177 1038981767 /nfs/dbraw/zinc/98/17/67/1038981767.db2.gz WPAKMJXYHWXTPB-MRXNPFEDSA-N 1 0 342.405 4.075 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000424710339 1039031937 /nfs/dbraw/zinc/03/19/37/1039031937.db2.gz PXFBRGMFJKIBKZ-JOCHJYFZSA-N 1 0 340.511 4.103 20 30 EIEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481185025 1039086395 /nfs/dbraw/zinc/08/63/95/1039086395.db2.gz CKMGQDIACRERSI-CRAIPNDOSA-N 1 0 347.890 4.145 20 30 EIEDRO COc1cc[nH+]c(NCc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000534095230 1039104132 /nfs/dbraw/zinc/10/41/32/1039104132.db2.gz SMHOPWZMIPWGSK-UHFFFAOYSA-N 1 0 345.402 4.153 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N(CCC#N)CCC(C)C)cc1)C1CC1 ZINC000505213548 1039120283 /nfs/dbraw/zinc/12/02/83/1039120283.db2.gz OCEQUCPOXXIUKX-UHFFFAOYSA-N 1 0 341.499 4.073 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000555427817 1039190976 /nfs/dbraw/zinc/19/09/76/1039190976.db2.gz NMWBJXCDZJSZQA-GTTSAUCSSA-N 1 0 337.236 4.321 20 30 EIEDRO C=CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456287264 1039232117 /nfs/dbraw/zinc/23/21/17/1039232117.db2.gz VYYHMQHBKMOMPQ-IBGZPJMESA-N 1 0 336.435 4.053 20 30 EIEDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665242 1039265943 /nfs/dbraw/zinc/26/59/43/1039265943.db2.gz XEYIEBSLTZQILE-UTKZUKDTSA-N 1 0 338.451 4.407 20 30 EIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[C@H](CC#N)c3ccccc3)ccc21 ZINC000456320974 1039273825 /nfs/dbraw/zinc/27/38/25/1039273825.db2.gz OIQQIRWTWCQYTI-LAUBAEHRSA-N 1 0 347.462 4.262 20 30 EIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000537632671 1039274239 /nfs/dbraw/zinc/27/42/39/1039274239.db2.gz JSBMGIMEGFJXGV-SFTDATJTSA-N 1 0 344.462 4.283 20 30 EIEDRO Cc1ccc(C#N)c(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000534300723 1039302571 /nfs/dbraw/zinc/30/25/71/1039302571.db2.gz VZEADURXLLMOOK-SFHVURJKSA-N 1 0 340.858 4.164 20 30 EIEDRO C=CCC[C@H]([NH2+]CC1(N2CCC(OC)CC2)CCCC1)c1ccco1 ZINC000552245198 1039311481 /nfs/dbraw/zinc/31/14/81/1039311481.db2.gz UVVPOVHDDAYXFM-IBGZPJMESA-N 1 0 346.515 4.300 20 30 EIEDRO C=CCC1(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000456361674 1039312143 /nfs/dbraw/zinc/31/21/43/1039312143.db2.gz GFUVWOZPYZEZLQ-UHFFFAOYSA-N 1 0 340.511 4.294 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000552271052 1039328333 /nfs/dbraw/zinc/32/83/33/1039328333.db2.gz PKGZEMXPUHLLRH-DZFGPLHGSA-N 1 0 338.426 4.138 20 30 EIEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)OCC ZINC000534404440 1039392570 /nfs/dbraw/zinc/39/25/70/1039392570.db2.gz BIEUDBLHTFHLQM-FXAWDEMLSA-N 1 0 344.499 4.371 20 30 EIEDRO C=CC[N@@H+](CCCO[C@H]1CCCCO1)Cc1ccc(Cl)s1 ZINC000513963044 1039423322 /nfs/dbraw/zinc/42/33/22/1039423322.db2.gz KCUPVKUEXNZUDR-INIZCTEOSA-N 1 0 329.893 4.323 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c(C(F)(F)F)c1 ZINC000555619463 1039460824 /nfs/dbraw/zinc/46/08/24/1039460824.db2.gz PPOPEDCXMPZGSQ-IRXDYDNUSA-N 1 0 330.353 4.470 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000481497483 1039523010 /nfs/dbraw/zinc/52/30/10/1039523010.db2.gz QXOHUPAFAYNMJR-SGTLLEGYSA-N 1 0 332.806 4.217 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3cccs3)C3CC3)CC2)cc1 ZINC000514081069 1039580846 /nfs/dbraw/zinc/58/08/46/1039580846.db2.gz AJOKATDXLOQHOS-HXUWFJFHSA-N 1 0 337.492 4.329 20 30 EIEDRO COCC[N@H+](Cc1ccc(F)cc1Cl)CC(C)(C)CCC#N ZINC000093276225 1039648040 /nfs/dbraw/zinc/64/80/40/1039648040.db2.gz RQAAQGAAZTZDFO-UHFFFAOYSA-N 1 0 326.843 4.257 20 30 EIEDRO CO[C@H](C[NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000514145885 1039656986 /nfs/dbraw/zinc/65/69/86/1039656986.db2.gz QKEYAIHESULOHK-GOSISDBHSA-N 1 0 326.827 4.178 20 30 EIEDRO C=CC1CC[NH+](Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000093359283 1039670033 /nfs/dbraw/zinc/67/00/33/1039670033.db2.gz KKFOJNZWWSKQLW-UHFFFAOYSA-N 1 0 338.451 4.067 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000481678135 1039719589 /nfs/dbraw/zinc/71/95/89/1039719589.db2.gz PAXQWIQGMBYZHI-LJQANCHMSA-N 1 0 335.407 4.066 20 30 EIEDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000534729807 1039743825 /nfs/dbraw/zinc/74/38/25/1039743825.db2.gz VCSUKOKEZPVAJZ-FPOVZHCZSA-N 1 0 341.499 4.001 20 30 EIEDRO CC(C)(CCC#N)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000093819526 1039759151 /nfs/dbraw/zinc/75/91/51/1039759151.db2.gz FNKOZZGGPUGTQQ-UHFFFAOYSA-N 1 0 329.271 4.118 20 30 EIEDRO CC[C@H](C[N@H+](CC)CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481744657 1039807974 /nfs/dbraw/zinc/80/79/74/1039807974.db2.gz BSDFRLJWLHCTCK-GOSISDBHSA-N 1 0 349.478 4.403 20 30 EIEDRO N#C[C@@H]1C[N@H+](Cc2cccc(-c3ccncc3)c2)C[C@H]1c1ccccc1 ZINC000430119661 1039846262 /nfs/dbraw/zinc/84/62/62/1039846262.db2.gz GDIIFWQLTLUTEH-PKTZIBPZSA-N 1 0 339.442 4.488 20 30 EIEDRO C=CCC1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC1 ZINC000478691930 1039863821 /nfs/dbraw/zinc/86/38/21/1039863821.db2.gz MNIYXVSEVUXCTC-GOSISDBHSA-N 1 0 346.902 4.340 20 30 EIEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000434788158 1039867873 /nfs/dbraw/zinc/86/78/73/1039867873.db2.gz XZURJOFSWQLKOA-IWCVFHTOSA-N 1 0 327.472 4.058 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCCC[C@H]2c2cccn2C)cc(OC)c1O ZINC000537659891 1039873313 /nfs/dbraw/zinc/87/33/13/1039873313.db2.gz QBLVQIKCNFUHPV-IBGZPJMESA-N 1 0 340.467 4.195 20 30 EIEDRO C[N@H+](CCCC1(C#N)CCOCC1)Cc1cccc(C(F)(F)F)c1 ZINC000281924190 1039887902 /nfs/dbraw/zinc/88/79/02/1039887902.db2.gz HMUXKIRTPFAPMF-UHFFFAOYSA-N 1 0 340.389 4.238 20 30 EIEDRO CC[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(C#N)c1 ZINC000926904337 1039971837 /nfs/dbraw/zinc/97/18/37/1039971837.db2.gz GNHZODRAJBSUSO-PMPSAXMXSA-N 1 0 326.362 4.099 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482057491 1039986882 /nfs/dbraw/zinc/98/68/82/1039986882.db2.gz ZAJRCRREWBWHGB-NRFANRHFSA-N 1 0 343.515 4.066 20 30 EIEDRO C[C@H](c1cccc(O)c1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000478953885 1040040632 /nfs/dbraw/zinc/04/06/32/1040040632.db2.gz CZVHDZNAUJDRJV-CQSZACIVSA-N 1 0 333.353 4.456 20 30 EIEDRO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]CCCC(C)(C)C#N ZINC000482166452 1040052773 /nfs/dbraw/zinc/05/27/73/1040052773.db2.gz UWJBMMAVDUVHHB-FQEVSTJZSA-N 1 0 341.543 4.379 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](CCCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000482165093 1040054131 /nfs/dbraw/zinc/05/41/31/1040054131.db2.gz ADDRQOHLZBWVLF-UHFFFAOYSA-N 1 0 344.458 4.215 20 30 EIEDRO C=CCC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000435097492 1040064007 /nfs/dbraw/zinc/06/40/07/1040064007.db2.gz GYPQBHGABMXHHX-UYAOXDASSA-N 1 0 343.515 4.114 20 30 EIEDRO C=CCC[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000435096723 1040066954 /nfs/dbraw/zinc/06/69/54/1040066954.db2.gz XUPISNXGHRKSGW-NXEWRWPSSA-N 1 0 341.499 4.008 20 30 EIEDRO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000535212813 1040071054 /nfs/dbraw/zinc/07/10/54/1040071054.db2.gz QUGXZMFZQURMRL-UHFFFAOYSA-N 1 0 346.474 4.291 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1scc(C)c1Cl)C(C)C ZINC000479077513 1040116636 /nfs/dbraw/zinc/11/66/36/1040116636.db2.gz MHXUSMVACKTDLR-CQSZACIVSA-N 1 0 340.920 4.138 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3C[C@H]([NH+]4CCCC4)C[C@H]3C)c2c1 ZINC000553337780 1040149991 /nfs/dbraw/zinc/14/99/91/1040149991.db2.gz VAXYOVBDNHQFPY-VQIMIIECSA-N 1 0 348.494 4.293 20 30 EIEDRO N#CCCC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479272931 1040242406 /nfs/dbraw/zinc/24/24/06/1040242406.db2.gz ACUUNVWMSGKVGV-QGZVFWFLSA-N 1 0 329.241 4.432 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H](C)c1ccccc1)C(C)C ZINC000503436224 1040247747 /nfs/dbraw/zinc/24/77/47/1040247747.db2.gz JGMOWPQJEYMOOH-UYAOXDASSA-N 1 0 343.515 4.088 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc(OC)c1O ZINC000482512687 1040317550 /nfs/dbraw/zinc/31/75/50/1040317550.db2.gz WCAMXAJQZQKVNH-SWLSCSKDSA-N 1 0 343.389 4.292 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000425366702 1040341743 /nfs/dbraw/zinc/34/17/43/1040341743.db2.gz QKVNIJDMECDJRU-HNNXBMFYSA-N 1 0 336.435 4.396 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccs1 ZINC000160141092 1040369735 /nfs/dbraw/zinc/36/97/35/1040369735.db2.gz SGQHZYCECDWGIY-ZFWWWQNUSA-N 1 0 329.444 4.078 20 30 EIEDRO Cc1c(Br)cccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000535581908 1040385485 /nfs/dbraw/zinc/38/54/85/1040385485.db2.gz BDDWDWJLNIYMOG-UHFFFAOYSA-N 1 0 329.241 4.261 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cnc(OC)c(Cl)c1 ZINC000551533772 1040392844 /nfs/dbraw/zinc/39/28/44/1040392844.db2.gz PYARTQHTHYWYHZ-CYBMUJFWSA-N 1 0 332.831 4.159 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(OCCC(C)C)cc2)CC1 ZINC000482631641 1040396716 /nfs/dbraw/zinc/39/67/16/1040396716.db2.gz OBYNDJKIAPDDNE-SFHVURJKSA-N 1 0 330.516 4.413 20 30 EIEDRO COCc1cccc(OCC2(C[N@H+](C[C@@H](C)C#N)C3CC3)CCC2)c1 ZINC000539447343 1040450174 /nfs/dbraw/zinc/45/01/74/1040450174.db2.gz UMSRFLQYUGBNIR-KRWDZBQOSA-N 1 0 342.483 4.006 20 30 EIEDRO C=CCc1cc(C[N@@H+](C)Cc2ccc(OCC)cc2)cc(OC)c1O ZINC000505706158 1040459657 /nfs/dbraw/zinc/45/96/57/1040459657.db2.gz MTZKYRLQRARZBA-UHFFFAOYSA-N 1 0 341.451 4.160 20 30 EIEDRO Cc1cc(C)c(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000539495251 1040470459 /nfs/dbraw/zinc/47/04/59/1040470459.db2.gz JXHXZLPZSGLCJF-UHFFFAOYSA-N 1 0 347.506 4.238 20 30 EIEDRO CC[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000539499143 1040491412 /nfs/dbraw/zinc/49/14/12/1040491412.db2.gz ANPVBMAODQKLEK-HTAPYJJXSA-N 1 0 333.479 4.046 20 30 EIEDRO CC(C)CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000515141287 1040505797 /nfs/dbraw/zinc/50/57/97/1040505797.db2.gz ZXAZXXOBFFPPCY-UHFFFAOYSA-N 1 0 347.890 4.097 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000435752236 1040588094 /nfs/dbraw/zinc/58/80/94/1040588094.db2.gz WXZOQNRPKNLHMV-IAQYHMDHSA-N 1 0 331.790 4.012 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000435746173 1040599690 /nfs/dbraw/zinc/59/96/90/1040599690.db2.gz UKYFRZFQLOJJJJ-DNVCBOLYSA-N 1 0 334.891 4.011 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)c(F)c1 ZINC000539610487 1040607590 /nfs/dbraw/zinc/60/75/90/1040607590.db2.gz YKEBSEHKQPHLSN-YOEHRIQHSA-N 1 0 341.405 4.156 20 30 EIEDRO FC[C@@]1(C(F)(F)F)CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC001233174277 1040634913 /nfs/dbraw/zinc/63/49/13/1040634913.db2.gz HFMAQGASVAKHGY-JTQLQIEISA-N 1 0 335.288 4.491 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000505038325 1040781695 /nfs/dbraw/zinc/78/16/95/1040781695.db2.gz ILWRPYKJCKEKBN-UHFFFAOYSA-N 1 0 337.467 4.059 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1cc(Br)c(OC)c(OCC)c1 ZINC000539835798 1040831187 /nfs/dbraw/zinc/83/11/87/1040831187.db2.gz JDSUZHOZLVEWSH-UHFFFAOYSA-N 1 0 342.277 4.254 20 30 EIEDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000515564108 1040869328 /nfs/dbraw/zinc/86/93/28/1040869328.db2.gz HBMZDRGHDOCFCL-KRWDZBQOSA-N 1 0 346.352 4.363 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cccc(Br)n1 ZINC000924786766 1040870118 /nfs/dbraw/zinc/87/01/18/1040870118.db2.gz SYEXITQZAQJBAP-NWDGAFQWSA-N 1 0 330.229 4.128 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](CC3=Cc4ccccc4OC3)CC2)cc1 ZINC000539924092 1040908170 /nfs/dbraw/zinc/90/81/70/1040908170.db2.gz OGROITLIRHRAGJ-UHFFFAOYSA-N 1 0 328.415 4.123 20 30 EIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1C#N ZINC000554266297 1040929010 /nfs/dbraw/zinc/92/90/10/1040929010.db2.gz VIYYZWQPFMEHRK-ZDUSSCGKSA-N 1 0 349.194 4.387 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)CO2 ZINC000537962568 1040935014 /nfs/dbraw/zinc/93/50/14/1040935014.db2.gz DBNYXOXHAZNITH-JGBTYHIZSA-N 1 0 332.447 4.422 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1cscn1 ZINC000537977796 1040946295 /nfs/dbraw/zinc/94/62/95/1040946295.db2.gz VKQQSEHNBVCDLR-IUDNXUCKSA-N 1 0 327.453 4.056 20 30 EIEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCSCc1ccccc1C#N ZINC000537972934 1040976646 /nfs/dbraw/zinc/97/66/46/1040976646.db2.gz JRQIIFIQMGQBIW-HNNXBMFYSA-N 1 0 328.456 4.151 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000436287007 1041035758 /nfs/dbraw/zinc/03/57/58/1041035758.db2.gz IAMHFPWFDSXSLP-PVAVHDDUSA-N 1 0 325.399 4.310 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000436289304 1041052727 /nfs/dbraw/zinc/05/27/27/1041052727.db2.gz MMHFVHLQCAMAJZ-XNJGSVPQSA-N 1 0 328.283 4.495 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000436291306 1041056202 /nfs/dbraw/zinc/05/62/02/1041056202.db2.gz LMFZVOVCSYORKO-GHJWDPDVSA-N 1 0 342.252 4.220 20 30 EIEDRO C[C@H]1C[C@H](N(C)CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000483934923 1041071480 /nfs/dbraw/zinc/07/14/80/1041071480.db2.gz YUQFKEMVMBHNDM-NZQKXSOJSA-N 1 0 332.491 4.023 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000436314370 1041084423 /nfs/dbraw/zinc/08/44/23/1041084423.db2.gz NDULMMWYDJRACK-COPCDDAFSA-N 1 0 348.446 4.488 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000436309369 1041095196 /nfs/dbraw/zinc/09/51/96/1041095196.db2.gz ORMPERBDGWBNBD-REHHDOPLSA-N 1 0 347.474 4.431 20 30 EIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000484062618 1041113227 /nfs/dbraw/zinc/11/32/27/1041113227.db2.gz CVLVPXNZYZKVNV-OAHLLOKOSA-N 1 0 326.415 4.017 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000538204851 1041139492 /nfs/dbraw/zinc/13/94/92/1041139492.db2.gz PPZDDVXKNSSSOT-AWEZNQCLSA-N 1 0 344.455 4.287 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000484164207 1041152302 /nfs/dbraw/zinc/15/23/02/1041152302.db2.gz QXHKKPNWKJXQRI-ROUUACIJSA-N 1 0 348.494 4.197 20 30 EIEDRO C=CCC[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540148858 1041177010 /nfs/dbraw/zinc/17/70/10/1041177010.db2.gz HFYMGXQXYLHERK-QGZVFWFLSA-N 1 0 326.406 4.397 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000540151759 1041199383 /nfs/dbraw/zinc/19/93/83/1041199383.db2.gz UFAITNYAHVPBKI-XEYPJELSSA-N 1 0 326.488 4.145 20 30 EIEDRO C[C@H]1C[C@H](CCNc2c(C#N)cccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000436399872 1041204044 /nfs/dbraw/zinc/20/40/44/1041204044.db2.gz JWWGSDVLKMJJFA-HKUYNNGSSA-N 1 0 344.462 4.143 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000538288928 1041226595 /nfs/dbraw/zinc/22/65/95/1041226595.db2.gz ULEIEGLTNAGLCK-ZWKOTPCHSA-N 1 0 343.515 4.256 20 30 EIEDRO Cn1cc(C[NH2+]CC(C)(C)c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000480358645 1041239678 /nfs/dbraw/zinc/23/96/78/1041239678.db2.gz AWKQWNVMYHLWDT-UHFFFAOYSA-N 1 0 336.266 4.271 20 30 EIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000554559416 1041243343 /nfs/dbraw/zinc/24/33/43/1041243343.db2.gz VYIAMSGHSIFMOT-UHFFFAOYSA-N 1 0 335.382 4.024 20 30 EIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cc1 ZINC000538330035 1041268594 /nfs/dbraw/zinc/26/85/94/1041268594.db2.gz UQXDHQUTTNTXPP-UHFFFAOYSA-N 1 0 349.297 4.450 20 30 EIEDRO CCCC[C@H](CC)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538396911 1041315580 /nfs/dbraw/zinc/31/55/80/1041315580.db2.gz IPBWKXSOOSZKKO-SFHVURJKSA-N 1 0 327.516 4.329 20 30 EIEDRO CC(C)[N@H+](C)CC1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000540284477 1041340086 /nfs/dbraw/zinc/34/00/86/1041340086.db2.gz FZKGXGQCWCGRCN-UHFFFAOYSA-N 1 0 339.405 4.134 20 30 EIEDRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538502967 1041382153 /nfs/dbraw/zinc/38/21/53/1041382153.db2.gz SMICVTVAGVYFJQ-FUHWJXTLSA-N 1 0 329.463 4.391 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000538509023 1041396272 /nfs/dbraw/zinc/39/62/72/1041396272.db2.gz UEURJXTUVMPFKN-CABCVRRESA-N 1 0 326.415 4.378 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000538509026 1041396511 /nfs/dbraw/zinc/39/65/11/1041396511.db2.gz UEURJXTUVMPFKN-LSDHHAIUSA-N 1 0 326.415 4.378 20 30 EIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+][C@H]2C[C@@H]2C(F)F)cc1 ZINC000436658756 1041413492 /nfs/dbraw/zinc/41/34/92/1041413492.db2.gz MUJXZGSGCCTZNL-IRXDYDNUSA-N 1 0 329.394 4.206 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1)C1CC1 ZINC000538556247 1041419426 /nfs/dbraw/zinc/41/94/26/1041419426.db2.gz IJRQDOAPJVFMGM-JKSUJKDBSA-N 1 0 336.426 4.201 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000463211393 1041423701 /nfs/dbraw/zinc/42/37/01/1041423701.db2.gz PUBFPFVXHKMXFS-GUDVDZBRSA-N 1 0 332.875 4.117 20 30 EIEDRO O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000463214925 1041426372 /nfs/dbraw/zinc/42/63/72/1041426372.db2.gz NFAHHUVNORPVDS-MISYRCLQSA-N 1 0 331.887 4.097 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](C)C3(CCCCC3)C2)CC1 ZINC000463202652 1041430086 /nfs/dbraw/zinc/43/00/86/1041430086.db2.gz MOLLBVXAFFYISV-SFHVURJKSA-N 1 0 347.547 4.029 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000540397098 1041439731 /nfs/dbraw/zinc/43/97/31/1041439731.db2.gz IDWOZYOZWOCHMV-WBVHZDCISA-N 1 0 342.508 4.270 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000554841299 1041440769 /nfs/dbraw/zinc/44/07/69/1041440769.db2.gz APPWVPCAAYNKIY-HNNXBMFYSA-N 1 0 335.451 4.145 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000463243229 1041450130 /nfs/dbraw/zinc/45/01/30/1041450130.db2.gz BBENRCKLALYUBM-NSISKUIASA-N 1 0 333.435 4.038 20 30 EIEDRO CCOC(=O)C1CCC([N@H+](CC)CC#Cc2ccccc2Cl)CC1 ZINC000554859616 1041459026 /nfs/dbraw/zinc/45/90/26/1041459026.db2.gz COWHWNYGNSNMJX-UHFFFAOYSA-N 1 0 347.886 4.135 20 30 EIEDRO C=C(C)[C@H]([NH2+][C@H](C)Cc1cccc(OC)n1)c1ccc(F)c(F)c1 ZINC000480679689 1041476125 /nfs/dbraw/zinc/47/61/25/1041476125.db2.gz JJOSHNBREOWMJA-YJYMSZOUSA-N 1 0 332.394 4.206 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)c1C#N ZINC000538691243 1041476448 /nfs/dbraw/zinc/47/64/48/1041476448.db2.gz SOQCIPZMMKCISU-NRFANRHFSA-N 1 0 348.446 4.366 20 30 EIEDRO C=CCOc1ccc(CNc2ccc(C(C)(C)[NH3+])cc2)cc1OC ZINC000904475196 1041500261 /nfs/dbraw/zinc/50/02/61/1041500261.db2.gz ZLVKTPHJNZTBTK-UHFFFAOYSA-N 1 0 326.440 4.066 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(Br)c1 ZINC000480753527 1041512146 /nfs/dbraw/zinc/51/21/46/1041512146.db2.gz ZMEYHSRRKAFOCU-INIZCTEOSA-N 1 0 341.252 4.310 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000540597096 1041552218 /nfs/dbraw/zinc/55/22/18/1041552218.db2.gz HYSUPZPPPHTRBT-CYBMUJFWSA-N 1 0 334.341 4.350 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505901544 1041556334 /nfs/dbraw/zinc/55/63/34/1041556334.db2.gz SRHWNIDABMPOQX-GOSISDBHSA-N 1 0 334.463 4.389 20 30 EIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609154 1041561274 /nfs/dbraw/zinc/56/12/74/1041561274.db2.gz DKKTWCVJXMNQRC-XMSQKQJNSA-N 1 0 344.462 4.464 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+][C@H]2CCCCC23CCCC3)c(C#N)c1C ZINC000463451862 1041572697 /nfs/dbraw/zinc/57/26/97/1041572697.db2.gz QWKVMRYASLWVIT-INIZCTEOSA-N 1 0 345.512 4.268 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)COc1ccc(F)cc1F)c1ccc(C#N)c(F)c1 ZINC000540707520 1041606259 /nfs/dbraw/zinc/60/62/59/1041606259.db2.gz GXECRHXHUUYMLK-NWDGAFQWSA-N 1 0 334.341 4.094 20 30 EIEDRO C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540707519 1041606645 /nfs/dbraw/zinc/60/66/45/1041606645.db2.gz GXECRHXHUUYMLK-NEPJUHHUSA-N 1 0 334.341 4.094 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000540708431 1041607537 /nfs/dbraw/zinc/60/75/37/1041607537.db2.gz UHAAPTRWMQFPLD-BFUOFWGJSA-N 1 0 326.440 4.379 20 30 EIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000463564574 1041630295 /nfs/dbraw/zinc/63/02/95/1041630295.db2.gz QKUGLPBGNKNXSI-RHSMWYFYSA-N 1 0 338.426 4.477 20 30 EIEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@@H]1C ZINC000437101921 1041660226 /nfs/dbraw/zinc/66/02/26/1041660226.db2.gz FETSBIGGJAQYSE-QIOBLTBWSA-N 1 0 327.472 4.058 20 30 EIEDRO CC[C@H]1CCC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437102489 1041660519 /nfs/dbraw/zinc/66/05/19/1041660519.db2.gz WVUIMQVPOMKYAV-BARLLCKDSA-N 1 0 327.472 4.202 20 30 EIEDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000516668257 1041696224 /nfs/dbraw/zinc/69/62/24/1041696224.db2.gz TWTWNMDXVDSJBU-QHCPKHFHSA-N 1 0 348.490 4.456 20 30 EIEDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000516670054 1041696854 /nfs/dbraw/zinc/69/68/54/1041696854.db2.gz LYMGIUTWCONUAL-INIZCTEOSA-N 1 0 332.451 4.052 20 30 EIEDRO C=C(C)CN(CC)C(=O)C[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000516737837 1041721869 /nfs/dbraw/zinc/72/18/69/1041721869.db2.gz JXABKFOFCLIDJJ-MRXNPFEDSA-N 1 0 328.456 4.240 20 30 EIEDRO CCOc1cc2[nH+]ccc(N3CCC(CC#N)CC3)c2cc1OCC ZINC000541005613 1041778291 /nfs/dbraw/zinc/77/82/91/1041778291.db2.gz PKKOREGGADCKMF-UHFFFAOYSA-N 1 0 339.439 4.162 20 30 EIEDRO N#Cc1c(Cl)cccc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000506066372 1041839198 /nfs/dbraw/zinc/83/91/98/1041839198.db2.gz IXMFPOCBLZFXHS-UHFFFAOYSA-N 1 0 325.843 4.420 20 30 EIEDRO N#CCc1ccc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000541328105 1041893952 /nfs/dbraw/zinc/89/39/52/1041893952.db2.gz XYSYIEBLUAEJBG-IBGZPJMESA-N 1 0 326.827 4.059 20 30 EIEDRO N#CCCC[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000541383553 1041921967 /nfs/dbraw/zinc/92/19/67/1041921967.db2.gz MCMLPQRPFCVEPS-UHFFFAOYSA-N 1 0 345.786 4.434 20 30 EIEDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437894209 1041953025 /nfs/dbraw/zinc/95/30/25/1041953025.db2.gz HHQCTMAUSXETQV-GJZGRUSLSA-N 1 0 340.439 4.266 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000464439480 1042018263 /nfs/dbraw/zinc/01/82/63/1042018263.db2.gz UDPYPHKMGHPBPG-SFHVURJKSA-N 1 0 328.500 4.137 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1cc(C(C)=O)ccc1C#N)c1ccccc1 ZINC000541577605 1042024088 /nfs/dbraw/zinc/02/40/88/1042024088.db2.gz DHWCVTQHVWIUAB-OAQYLSRUSA-N 1 0 335.451 4.256 20 30 EIEDRO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000438128282 1042058462 /nfs/dbraw/zinc/05/84/62/1042058462.db2.gz OCSIQYNPYZMSPH-VABKMULXSA-N 1 0 346.474 4.442 20 30 EIEDRO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000517530279 1042067698 /nfs/dbraw/zinc/06/76/98/1042067698.db2.gz NQYNCIRTEGFSPW-KRWDZBQOSA-N 1 0 347.462 4.273 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000464582758 1042068318 /nfs/dbraw/zinc/06/83/18/1042068318.db2.gz PTPGTTVZEVNKIP-QGZVFWFLSA-N 1 0 342.483 4.041 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000464658536 1042110537 /nfs/dbraw/zinc/11/05/37/1042110537.db2.gz VXEFQKBOYUMTIN-ZWKOTPCHSA-N 1 0 328.500 4.280 20 30 EIEDRO Cc1ccc(CC[N@@H+](Cc2ccccc2C#N)C[C@@H]2CCCO2)cc1 ZINC000464769593 1042149494 /nfs/dbraw/zinc/14/94/94/1042149494.db2.gz CUCJCOWLOUUJRZ-QFIPXVFZSA-N 1 0 334.463 4.090 20 30 EIEDRO CC[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000464771665 1042150349 /nfs/dbraw/zinc/15/03/49/1042150349.db2.gz GJIJRLIALMEPAX-SFHVURJKSA-N 1 0 333.863 4.052 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000464759682 1042151361 /nfs/dbraw/zinc/15/13/61/1042151361.db2.gz XACNNSJCMDAKJA-UHFFFAOYSA-N 1 0 345.512 4.385 20 30 EIEDRO N#Cc1cccc(OCC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000464761085 1042152124 /nfs/dbraw/zinc/15/21/24/1042152124.db2.gz LIWLMWGKTRSSNJ-GOSISDBHSA-N 1 0 338.476 4.051 20 30 EIEDRO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000541948215 1042192581 /nfs/dbraw/zinc/19/25/81/1042192581.db2.gz HXFFCPLHAZBQGW-KRWDZBQOSA-N 1 0 347.462 4.306 20 30 EIEDRO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000541948218 1042192623 /nfs/dbraw/zinc/19/26/23/1042192623.db2.gz HXFFCPLHAZBQGW-QGZVFWFLSA-N 1 0 347.462 4.306 20 30 EIEDRO CC[N@H+](Cc1cc(C(=O)OC)sc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000464868261 1042199878 /nfs/dbraw/zinc/19/98/78/1042199878.db2.gz KLZIRSWPGZYOGA-CYBMUJFWSA-N 1 0 342.464 4.298 20 30 EIEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1C#N ZINC000383073383 1042215676 /nfs/dbraw/zinc/21/56/76/1042215676.db2.gz QPXHDFSTEBJVSD-QGZVFWFLSA-N 1 0 339.870 4.170 20 30 EIEDRO Clc1cccc(C#CC[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000438651258 1042299737 /nfs/dbraw/zinc/29/97/37/1042299737.db2.gz SEUYHZJTQIVWSE-UHFFFAOYSA-N 1 0 347.849 4.357 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000517983995 1042304307 /nfs/dbraw/zinc/30/43/07/1042304307.db2.gz JUOWWMMLDBGYBP-UHFFFAOYSA-N 1 0 346.474 4.028 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N ZINC000518007686 1042305646 /nfs/dbraw/zinc/30/56/46/1042305646.db2.gz NMOWHJGHJIICGE-MRXNPFEDSA-N 1 0 347.384 4.295 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c(C(F)(F)F)c1 ZINC000518020139 1042315740 /nfs/dbraw/zinc/31/57/40/1042315740.db2.gz RNGSOWBKTDHMSQ-CVEARBPZSA-N 1 0 340.414 4.437 20 30 EIEDRO C=CCOc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC000506358272 1042346624 /nfs/dbraw/zinc/34/66/24/1042346624.db2.gz WVHFIKFBWVWUOW-UHFFFAOYSA-N 1 0 348.918 4.355 20 30 EIEDRO Cc1c(Cl)cnc(N[C@H](C[NH+]2CCCC2)c2ccccc2)c1C#N ZINC000542209685 1042347715 /nfs/dbraw/zinc/34/77/15/1042347715.db2.gz IVVUNHAYHWXTCO-GOSISDBHSA-N 1 0 340.858 4.164 20 30 EIEDRO Cc1cc(C#N)ccc1C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000439072877 1042485711 /nfs/dbraw/zinc/48/57/11/1042485711.db2.gz ADUACOAAEQJQQJ-UHFFFAOYSA-N 1 0 347.462 4.481 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000271900927 1042492343 /nfs/dbraw/zinc/49/23/43/1042492343.db2.gz ALIFMODOCIWQND-LSDHHAIUSA-N 1 0 341.405 4.014 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000439138417 1042515619 /nfs/dbraw/zinc/51/56/19/1042515619.db2.gz WDRUXVCMKQBWJI-CQSZACIVSA-N 1 0 330.291 4.144 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(C#N)c(F)c1 ZINC000271920683 1042518159 /nfs/dbraw/zinc/51/81/59/1042518159.db2.gz DPVSPSQKYHZBNQ-GFCCVEGCSA-N 1 0 334.341 4.192 20 30 EIEDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271923889 1042524237 /nfs/dbraw/zinc/52/42/37/1042524237.db2.gz INBYCKKOBOZJMK-CQSZACIVSA-N 1 0 339.414 4.143 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(F)c3cccnc23)c1 ZINC000151984407 1042572352 /nfs/dbraw/zinc/57/23/52/1042572352.db2.gz ZEZJUMHVJMWWRP-QGZVFWFLSA-N 1 0 349.409 4.345 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(F)c3cccnc23)C2CC2)cc1 ZINC000506549197 1042590110 /nfs/dbraw/zinc/59/01/10/1042590110.db2.gz YASPFHVEBDNWMD-UHFFFAOYSA-N 1 0 331.394 4.410 20 30 EIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271967857 1042592527 /nfs/dbraw/zinc/59/25/27/1042592527.db2.gz VYTGKGLCDKCITM-STQMWFEESA-N 1 0 325.387 4.068 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000271975876 1042605242 /nfs/dbraw/zinc/60/52/42/1042605242.db2.gz XYCRFIGRCGSVLI-UGSOOPFHSA-N 1 0 340.398 4.270 20 30 EIEDRO Cc1sc(NC(=O)C[N@@H+](CC(C)C)C2CCCC2)c(C#N)c1C ZINC000426371528 1042606663 /nfs/dbraw/zinc/60/66/63/1042606663.db2.gz NJUHMJJBSNFUEZ-UHFFFAOYSA-N 1 0 333.501 4.076 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000492336712 1042611953 /nfs/dbraw/zinc/61/19/53/1042611953.db2.gz WVSIFNDTEMQPHP-UHFFFAOYSA-N 1 0 326.396 4.185 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439448226 1042633763 /nfs/dbraw/zinc/63/37/63/1042633763.db2.gz ZVLSGUYEVKLGRT-FUHWJXTLSA-N 1 0 345.918 4.298 20 30 EIEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000518770250 1042684611 /nfs/dbraw/zinc/68/46/11/1042684611.db2.gz FSLDGKGCGCAUFL-ROUUACIJSA-N 1 0 330.472 4.436 20 30 EIEDRO CCCCOC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426426626 1042689771 /nfs/dbraw/zinc/68/97/71/1042689771.db2.gz IWYQHOSYZUXRKK-UHFFFAOYSA-N 1 0 339.401 4.338 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000439603899 1042705975 /nfs/dbraw/zinc/70/59/75/1042705975.db2.gz YOVSIUKDPJLCLF-CVEARBPZSA-N 1 0 334.529 4.210 20 30 EIEDRO Cc1cc(C[NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)ccc1C#N ZINC000443996977 1042744391 /nfs/dbraw/zinc/74/43/91/1042744391.db2.gz PTENJQWDGVXKQD-SFHVURJKSA-N 1 0 333.479 4.182 20 30 EIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000536417764 1042842912 /nfs/dbraw/zinc/84/29/12/1042842912.db2.gz YYEZUNRQQSDKTR-OAHLLOKOSA-N 1 0 326.415 4.017 20 30 EIEDRO CC[C@@H](C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000507766151 1042850403 /nfs/dbraw/zinc/85/04/03/1042850403.db2.gz KJIVTFVJNMSZMB-PELRDEGISA-N 1 0 349.478 4.427 20 30 EIEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000272162974 1042885641 /nfs/dbraw/zinc/88/56/41/1042885641.db2.gz BZNMFDDGGUFPMS-GOSISDBHSA-N 1 0 334.419 4.059 20 30 EIEDRO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000574694660 1042914598 /nfs/dbraw/zinc/91/45/98/1042914598.db2.gz QCVKZNQGDISSSQ-ACDBMABISA-N 1 0 347.418 4.377 20 30 EIEDRO Cc1cc(-c2noc([C@@H]3[NH2+]CCC[C@H]3c3ccccc3)n2)ccc1C#N ZINC001211870613 1042939884 /nfs/dbraw/zinc/93/98/84/1042939884.db2.gz SXVBRQVWDFQJAC-RBUKOAKNSA-N 1 0 344.418 4.125 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)cc1 ZINC000152703005 1042948276 /nfs/dbraw/zinc/94/82/76/1042948276.db2.gz GGYLDCGNAKMNHC-HNNXBMFYSA-N 1 0 340.854 4.452 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc(OC)c1O ZINC000136718185 1043005994 /nfs/dbraw/zinc/00/59/94/1043005994.db2.gz HCUGWOZPHWJGBV-GOSISDBHSA-N 1 0 345.483 4.101 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1Cl ZINC000136673414 1043006329 /nfs/dbraw/zinc/00/63/29/1043006329.db2.gz DDUQHNGAGSXJHF-INIZCTEOSA-N 1 0 335.875 4.486 20 30 EIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000076388363 1043089701 /nfs/dbraw/zinc/08/97/01/1043089701.db2.gz SDKGAADSTLATAE-HKUYNNGSSA-N 1 0 347.462 4.073 20 30 EIEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2coc3ccccc23)CC1 ZINC000509155250 1043089956 /nfs/dbraw/zinc/08/99/56/1043089956.db2.gz RUAWYVRRBRVRRM-UHFFFAOYSA-N 1 0 331.419 4.017 20 30 EIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000076388359 1043089978 /nfs/dbraw/zinc/08/99/78/1043089978.db2.gz SDKGAADSTLATAE-PKOBYXMFSA-N 1 0 347.462 4.073 20 30 EIEDRO Cc1cccc(C2([NH2+]CCCC3(C#N)CCOCC3)CCCC2)c1 ZINC000499521687 1043113571 /nfs/dbraw/zinc/11/35/71/1043113571.db2.gz XHEXQFBMPDSMLC-UHFFFAOYSA-N 1 0 326.484 4.455 20 30 EIEDRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599552 1043118230 /nfs/dbraw/zinc/11/82/30/1043118230.db2.gz LVVNPXFEUPQXQO-STQMWFEESA-N 1 0 333.863 4.049 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282462463 1043150800 /nfs/dbraw/zinc/15/08/00/1043150800.db2.gz OPRBMWRLPNEABM-KBXCAEBGSA-N 1 0 345.874 4.280 20 30 EIEDRO COc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)ccn2)cc1 ZINC000185784971 1043219595 /nfs/dbraw/zinc/21/95/95/1043219595.db2.gz ZBMFMXZCYZRAMK-NVXWUHKLSA-N 1 0 337.423 4.054 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C1 ZINC000185834211 1043225213 /nfs/dbraw/zinc/22/52/13/1043225213.db2.gz GMOINTXAEYYBSN-BBRMVZONSA-N 1 0 333.273 4.153 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c(OC2CCCC2)c1 ZINC000185850816 1043226777 /nfs/dbraw/zinc/22/67/77/1043226777.db2.gz HFTBHPIEZUSRGH-WBVHZDCISA-N 1 0 328.456 4.189 20 30 EIEDRO N#Cc1c(F)cccc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311452107 1043281821 /nfs/dbraw/zinc/28/18/21/1043281821.db2.gz JLYNOWANTUJYFM-UHFFFAOYSA-N 1 0 349.453 4.190 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000282503913 1043299893 /nfs/dbraw/zinc/29/98/93/1043299893.db2.gz WXXUQLOVSLSKJT-UHFFFAOYSA-N 1 0 335.451 4.080 20 30 EIEDRO COc1ccc(OCC[N@H+](C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000487409089 1043320085 /nfs/dbraw/zinc/32/00/85/1043320085.db2.gz KYAMWOBTZIJQJE-UHFFFAOYSA-N 1 0 338.451 4.007 20 30 EIEDRO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543557719 1043320799 /nfs/dbraw/zinc/32/07/99/1043320799.db2.gz GNFXZUGPBLPWFH-PMACEKPBSA-N 1 0 342.389 4.189 20 30 EIEDRO C=CCC[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000188890581 1043381292 /nfs/dbraw/zinc/38/12/92/1043381292.db2.gz DLNKRCWZKDZXOF-OAQYLSRUSA-N 1 0 336.479 4.114 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C3CCCCC3)CC2)CC1 ZINC000730030186 1043430304 /nfs/dbraw/zinc/43/03/04/1043430304.db2.gz XCHHXCZOBWYOFH-UHFFFAOYSA-N 1 0 347.547 4.029 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)c1 ZINC000609194877 1043446415 /nfs/dbraw/zinc/44/64/15/1043446415.db2.gz OAVQTTGAWKBRAA-JOCHJYFZSA-N 1 0 332.447 4.479 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)C)c1 ZINC000609195440 1043447222 /nfs/dbraw/zinc/44/72/22/1043447222.db2.gz TVYIXPSPHBIMDZ-LJQANCHMSA-N 1 0 341.499 4.061 20 30 EIEDRO N#Cc1ccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)cc1 ZINC000171146922 1043462640 /nfs/dbraw/zinc/46/26/40/1043462640.db2.gz OGWRWJLUFFQJOO-UHFFFAOYSA-N 1 0 327.431 4.198 20 30 EIEDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000499626468 1043497914 /nfs/dbraw/zinc/49/79/14/1043497914.db2.gz OUSLOAVFZXRPES-ACJLOTCBSA-N 1 0 348.368 4.189 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000494505732 1043505948 /nfs/dbraw/zinc/50/59/48/1043505948.db2.gz PFCNXSCGAHDNQI-ZWKOTPCHSA-N 1 0 347.245 4.485 20 30 EIEDRO CCSc1cc(C[NH2+]Cc2cccc(OCCCC#N)c2)ccn1 ZINC000189585942 1043605389 /nfs/dbraw/zinc/60/53/89/1043605389.db2.gz XUOWBCHAWVXCBE-UHFFFAOYSA-N 1 0 341.480 4.166 20 30 EIEDRO CC(C)C[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(C#N)cc1 ZINC000521196441 1043646153 /nfs/dbraw/zinc/64/61/53/1043646153.db2.gz HNVOCGHCJFKTSX-UHFFFAOYSA-N 1 0 335.407 4.464 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Br)cn1 ZINC000171971580 1043699592 /nfs/dbraw/zinc/69/95/92/1043699592.db2.gz QZUWSYFRIMMGAG-UHFFFAOYSA-N 1 0 344.256 4.128 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[NH2+]C2(c3ccccc3)CC2)cc1 ZINC001168466285 1043702083 /nfs/dbraw/zinc/70/20/83/1043702083.db2.gz MTKWWNBKDVZHKT-UHFFFAOYSA-N 1 0 331.337 4.216 20 30 EIEDRO Cc1cc(CC[NH2+]Cc2cccc(OCCCC#N)c2)cc(C)c1O ZINC000190398455 1043706856 /nfs/dbraw/zinc/70/68/56/1043706856.db2.gz XETMOSAUZLBEGV-UHFFFAOYSA-N 1 0 338.451 4.024 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000521323334 1043712075 /nfs/dbraw/zinc/71/20/75/1043712075.db2.gz MYDSWEVQOWUYGV-CTNGQTDRSA-N 1 0 328.500 4.007 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000731210167 1043713788 /nfs/dbraw/zinc/71/37/88/1043713788.db2.gz ARFCLACIFPEDIE-UHFFFAOYSA-N 1 0 343.430 4.360 20 30 EIEDRO N#CCCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000366951417 1043720180 /nfs/dbraw/zinc/72/01/80/1043720180.db2.gz KSADVEUAHWBFIU-INIZCTEOSA-N 1 0 326.362 4.066 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000313711820 1043787983 /nfs/dbraw/zinc/78/79/83/1043787983.db2.gz IZKOKDOITHGLLE-CYBMUJFWSA-N 1 0 329.241 4.214 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCC2)C1 ZINC000442715172 1043816557 /nfs/dbraw/zinc/81/65/57/1043816557.db2.gz LKANQABRVZGAEX-XJKSGUPXSA-N 1 0 333.273 4.153 20 30 EIEDRO CCc1nc([C@@H](C)/[NH+]=C\c2ccc(N(CC)CC)cc2O)cs1 ZINC000731937568 1043850602 /nfs/dbraw/zinc/85/06/02/1043850602.db2.gz KJPGIEIEBUWHFF-LPXFMOJISA-N 1 0 331.485 4.437 20 30 EIEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000439055589 1043857456 /nfs/dbraw/zinc/85/74/56/1043857456.db2.gz FJWDPRNBFYBNNC-MRXNPFEDSA-N 1 0 347.462 4.351 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2Cl)ccc1C#N ZINC000442827637 1043858672 /nfs/dbraw/zinc/85/86/72/1043858672.db2.gz LFOMGCJFGHWRQB-BFUOFWGJSA-N 1 0 344.842 4.086 20 30 EIEDRO CCC(CC)(C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000442836664 1043860897 /nfs/dbraw/zinc/86/08/97/1043860897.db2.gz OJDKLDNMNDROAU-DOTOQJQBSA-N 1 0 330.472 4.043 20 30 EIEDRO C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@H]4CC[C@H](C#N)C4)cc3)ccc2O1 ZINC000442853392 1043875139 /nfs/dbraw/zinc/87/51/39/1043875139.db2.gz ZOKSDXPQDFCFEK-KUDFPVQQSA-N 1 0 332.447 4.459 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c1O ZINC000732492558 1043927799 /nfs/dbraw/zinc/92/77/99/1043927799.db2.gz PPBCKACSKCJRDT-UHFFFAOYSA-N 1 0 341.426 4.433 20 30 EIEDRO Cc1ccc(C[C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccn2)cc1 ZINC000115627269 1043965451 /nfs/dbraw/zinc/96/54/51/1043965451.db2.gz LADZIQHQTMCZEN-QFIPXVFZSA-N 1 0 327.431 4.335 20 30 EIEDRO N#CC1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CCCCC1 ZINC000195124217 1044022404 /nfs/dbraw/zinc/02/24/04/1044022404.db2.gz OTDRJSKJBFFWAZ-UHFFFAOYSA-N 1 0 339.483 4.475 20 30 EIEDRO N#CC1(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CCCC1 ZINC000195127837 1044023331 /nfs/dbraw/zinc/02/33/31/1044023331.db2.gz UOBKHEXIVGISLO-UHFFFAOYSA-N 1 0 325.456 4.085 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000732989079 1044062294 /nfs/dbraw/zinc/06/22/94/1044062294.db2.gz NXUGLFUIYQGYGD-HXUWFJFHSA-N 1 0 342.389 4.442 20 30 EIEDRO N#CCc1ccc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000543209143 1044136579 /nfs/dbraw/zinc/13/65/79/1044136579.db2.gz ZALCTDZEJLKTPG-UHFFFAOYSA-N 1 0 334.463 4.060 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2c[nH]c3cccc(C)c23)cc1 ZINC000733326800 1044187897 /nfs/dbraw/zinc/18/78/97/1044187897.db2.gz BWCKCRXISHIVBS-UHFFFAOYSA-N 1 0 332.447 4.211 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466278843 1044197146 /nfs/dbraw/zinc/19/71/46/1044197146.db2.gz YXWGKWQTGYFJKP-NSHGMRRFSA-N 1 0 328.500 4.006 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000733329734 1044197841 /nfs/dbraw/zinc/19/78/41/1044197841.db2.gz KJBLPAWAAOYHFU-CYBMUJFWSA-N 1 0 332.806 4.102 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000733329736 1044199698 /nfs/dbraw/zinc/19/96/98/1044199698.db2.gz KJBLPAWAAOYHFU-ZDUSSCGKSA-N 1 0 332.806 4.102 20 30 EIEDRO Cc1ccccc1C1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CCOCC1 ZINC000173996451 1044207946 /nfs/dbraw/zinc/20/79/46/1044207946.db2.gz RVDKXGLNKIZOBA-GOSISDBHSA-N 1 0 334.463 4.266 20 30 EIEDRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3ccc(C#N)cc3)cc2)n1 ZINC000174049239 1044215618 /nfs/dbraw/zinc/21/56/18/1044215618.db2.gz LDOPNQMIVYLGKK-HNNXBMFYSA-N 1 0 346.434 4.064 20 30 EIEDRO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000174104113 1044219681 /nfs/dbraw/zinc/21/96/81/1044219681.db2.gz GTLPRCMKKQVHHK-ZWKOTPCHSA-N 1 0 333.479 4.434 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Br)c(F)c1 ZINC000467449340 1044221462 /nfs/dbraw/zinc/22/14/62/1044221462.db2.gz OYCDWBVCYOFONQ-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO C=CC1CCN(Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000522081541 1044223733 /nfs/dbraw/zinc/22/37/33/1044223733.db2.gz LBBWSJNNWNAPSS-UHFFFAOYSA-N 1 0 328.481 4.429 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000174158239 1044228866 /nfs/dbraw/zinc/22/88/66/1044228866.db2.gz YDMMYTAQBZUBCI-QSFXBCCZSA-N 1 0 339.508 4.353 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000522147004 1044278075 /nfs/dbraw/zinc/27/80/75/1044278075.db2.gz KJKWLLJRLOALOA-XLMAVXFVSA-N 1 0 334.529 4.066 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(N=Nc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000733745806 1044297404 /nfs/dbraw/zinc/29/74/04/1044297404.db2.gz VBIVHZGBPFELME-YOEHRIQHSA-N 1 0 330.432 4.037 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000766140894 1044330762 /nfs/dbraw/zinc/33/07/62/1044330762.db2.gz LSOVSEXCWDXOPY-LIRZEXBASA-N 1 0 335.875 4.282 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000657531484 1044356360 /nfs/dbraw/zinc/35/63/60/1044356360.db2.gz ZWFADVGZFPXXNE-PKOBYXMFSA-N 1 0 337.467 4.377 20 30 EIEDRO C[C@@H](NCc1csc(COc2ccccc2)n1)c1ccc(C#N)cc1 ZINC000522197456 1044369780 /nfs/dbraw/zinc/36/97/80/1044369780.db2.gz UPHDADLGRLEAJC-OAHLLOKOSA-N 1 0 349.459 4.445 20 30 EIEDRO C[C@H](c1cccc(Cl)c1)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757319 1044438989 /nfs/dbraw/zinc/43/89/89/1044438989.db2.gz QSJAHRFBIPPBIL-AUUYWEPGSA-N 1 0 326.827 4.346 20 30 EIEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@]4(CC=CCC4)C3)n2)cc1 ZINC000733992744 1044449690 /nfs/dbraw/zinc/44/96/90/1044449690.db2.gz UHQWNIHNDRWKGS-OAQYLSRUSA-N 1 0 332.451 4.202 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494984358 1044569565 /nfs/dbraw/zinc/56/95/65/1044569565.db2.gz DXEVZQPJSYRCIX-QCECMTGHSA-N 1 0 330.447 4.213 20 30 EIEDRO CCCC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)C1CCC1 ZINC000543453402 1044633063 /nfs/dbraw/zinc/63/30/63/1044633063.db2.gz LWZJGXLDJXBQFR-YLJYHZDGSA-N 1 0 341.499 4.270 20 30 EIEDRO CCCC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)C1CCC1 ZINC000543453399 1044633585 /nfs/dbraw/zinc/63/35/85/1044633585.db2.gz LWZJGXLDJXBQFR-FXAWDEMLSA-N 1 0 341.499 4.270 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495066555 1044634625 /nfs/dbraw/zinc/63/46/25/1044634625.db2.gz MAIIFCXQMSVYOY-WMLDXEAASA-N 1 0 335.900 4.460 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000495072047 1044637678 /nfs/dbraw/zinc/63/76/78/1044637678.db2.gz ZMSGALFUPMDHFB-YWZLYKJASA-N 1 0 345.870 4.212 20 30 EIEDRO CSC1CCC(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000922418579 1044719796 /nfs/dbraw/zinc/71/97/96/1044719796.db2.gz CFPFMEVZIZKNSQ-UHFFFAOYSA-N 1 0 332.513 4.381 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000154333212 1044772615 /nfs/dbraw/zinc/77/26/15/1044772615.db2.gz FONCZTOZRDXCHJ-JKSUJKDBSA-N 1 0 330.435 4.464 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000495201812 1044788908 /nfs/dbraw/zinc/78/89/08/1044788908.db2.gz PCUFNNQRTJCPSS-UHFFFAOYSA-N 1 0 343.377 4.179 20 30 EIEDRO CC(C)([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(F)cc1 ZINC000735309269 1044797203 /nfs/dbraw/zinc/79/72/03/1044797203.db2.gz KIFCYBBTAMVLQZ-UHFFFAOYSA-N 1 0 332.806 4.406 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000735309191 1044799442 /nfs/dbraw/zinc/79/94/42/1044799442.db2.gz ISXJNCZQZILLLU-HNNXBMFYSA-N 1 0 344.817 4.371 20 30 EIEDRO N#CC1CCC([NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000895601931 1044820337 /nfs/dbraw/zinc/82/03/37/1044820337.db2.gz ZMRYIYSJVYPLGM-UHFFFAOYSA-N 1 0 333.229 4.367 20 30 EIEDRO N#Cc1ccc(OCCC[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000735494966 1044833045 /nfs/dbraw/zinc/83/30/45/1044833045.db2.gz LYACLRWWEZGFEZ-HXUWFJFHSA-N 1 0 338.476 4.117 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H](COc1c(C)cccc1C)c1ccccc1 ZINC001168484241 1044857822 /nfs/dbraw/zinc/85/78/22/1044857822.db2.gz AQHMVFCVGXFCRH-LEWJYISDSA-N 1 0 339.479 4.340 20 30 EIEDRO C=CCOCC[NH2+][C@H](COc1c(C)cccc1C)c1ccccc1 ZINC001168485584 1044881355 /nfs/dbraw/zinc/88/13/55/1044881355.db2.gz GXYDQIMZIUPWPR-HXUWFJFHSA-N 1 0 325.452 4.216 20 30 EIEDRO COc1cc(Br)cc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000922674971 1044884276 /nfs/dbraw/zinc/88/42/76/1044884276.db2.gz IFXCGHIXVKOABB-UHFFFAOYSA-N 1 0 337.261 4.020 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(Cl)cc2c1OCC2 ZINC000922985487 1044884805 /nfs/dbraw/zinc/88/48/05/1044884805.db2.gz AHNDKCKBVBCMKA-NSHDSACASA-N 1 0 330.790 4.136 20 30 EIEDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000895776331 1044888003 /nfs/dbraw/zinc/88/80/03/1044888003.db2.gz CLAMFHOUSTYDAW-LRTDBIEQSA-N 1 0 340.429 4.093 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](OC(C)C)c1ccccc1 ZINC000428952438 1044895729 /nfs/dbraw/zinc/89/57/29/1044895729.db2.gz MMCUYPKEKWGZIR-OAQYLSRUSA-N 1 0 343.467 4.316 20 30 EIEDRO CSCC[C@@H](C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000736365141 1044930707 /nfs/dbraw/zinc/93/07/07/1044930707.db2.gz UOSMJQKOHUGQJX-MRXNPFEDSA-N 1 0 340.492 4.368 20 30 EIEDRO CSCC[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000736365613 1044931684 /nfs/dbraw/zinc/93/16/84/1044931684.db2.gz ZNKRLOMHEKEAEG-MRXNPFEDSA-N 1 0 340.492 4.368 20 30 EIEDRO Cc1nc2c(cccc2CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000922772879 1044940986 /nfs/dbraw/zinc/94/09/86/1044940986.db2.gz YVSOTMXRPPOAKE-UHFFFAOYSA-N 1 0 331.419 4.024 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)C1CC1 ZINC000543619793 1044961985 /nfs/dbraw/zinc/96/19/85/1044961985.db2.gz HLBZAAHAULDASZ-UHFFFAOYSA-N 1 0 332.188 4.201 20 30 EIEDRO COc1cccc(C2(C[NH2+]Cc3cc(C#N)cs3)CCCC2)c1 ZINC000237348240 1044968081 /nfs/dbraw/zinc/96/80/81/1044968081.db2.gz BRXBWCCAGNUYJK-UHFFFAOYSA-N 1 0 326.465 4.230 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000543623963 1044969518 /nfs/dbraw/zinc/96/95/18/1044969518.db2.gz OVQYNNBQXGOMAF-CYBMUJFWSA-N 1 0 339.277 4.030 20 30 EIEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000392091260 1045014296 /nfs/dbraw/zinc/01/42/96/1045014296.db2.gz JUFWBSGGBZIKGH-CQSZACIVSA-N 1 0 341.842 4.233 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1nnc2ccccn21 ZINC000495383756 1045023426 /nfs/dbraw/zinc/02/34/26/1045023426.db2.gz ALOHOMAZRAFXNN-IBGZPJMESA-N 1 0 347.466 4.017 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)cc1 ZINC000766003432 1045024551 /nfs/dbraw/zinc/02/45/51/1045024551.db2.gz VDSKFBGJUXMLAM-OXJNMPFZSA-N 1 0 345.870 4.376 20 30 EIEDRO CC(C)C[C@@H]1CN(CCCc2ccccc2)CC[N@@H+]1CCCCC#N ZINC000429381749 1045050625 /nfs/dbraw/zinc/05/06/25/1045050625.db2.gz SCNXTIVNMWJEHR-JOCHJYFZSA-N 1 0 341.543 4.345 20 30 EIEDRO Cc1ccc(CC[N@H+](CCCSCC#N)Cc2ccco2)cc1 ZINC000466714679 1045080445 /nfs/dbraw/zinc/08/04/45/1045080445.db2.gz AXAZSJWGTFKVGL-UHFFFAOYSA-N 1 0 328.481 4.280 20 30 EIEDRO CCCCCCC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000740875343 1045235214 /nfs/dbraw/zinc/23/52/14/1045235214.db2.gz UPXDPHKUYNPJKH-UHFFFAOYSA-N 1 0 334.479 4.124 20 30 EIEDRO CC(C)C[N@H+](CCC#N)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000740878557 1045235393 /nfs/dbraw/zinc/23/53/93/1045235393.db2.gz MEDNCYRLCPRKMB-UHFFFAOYSA-N 1 0 342.270 4.194 20 30 EIEDRO CC(C)C[N@H+](CCC#N)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000740878360 1045236015 /nfs/dbraw/zinc/23/60/15/1045236015.db2.gz BJHWHFKJRPNEPM-UHFFFAOYSA-N 1 0 342.270 4.194 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc1 ZINC000762454419 1045246056 /nfs/dbraw/zinc/24/60/56/1045246056.db2.gz CYVYTFHKGIGZEI-LSJNQWAISA-N 1 0 330.472 4.051 20 30 EIEDRO N#Cc1csc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c1 ZINC000611252756 1045265606 /nfs/dbraw/zinc/26/56/06/1045265606.db2.gz AZKJUWZFTMBUEU-UHFFFAOYSA-N 1 0 340.448 4.293 20 30 EIEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000611266410 1045268760 /nfs/dbraw/zinc/26/87/60/1045268760.db2.gz BMOFTSJWFFLGEA-KRWDZBQOSA-N 1 0 325.500 4.232 20 30 EIEDRO COc1ccc(C[NH+]2C3CCCC2CCC3)cc1OCCCC#N ZINC000611274119 1045270228 /nfs/dbraw/zinc/27/02/28/1045270228.db2.gz SJQUZRJHKFGSBT-UHFFFAOYSA-N 1 0 328.456 4.285 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccccc1OCc1ccccc1 ZINC000611384120 1045292949 /nfs/dbraw/zinc/29/29/49/1045292949.db2.gz DFXWWDXNKFVELM-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(C#N)c1 ZINC000611389028 1045295241 /nfs/dbraw/zinc/29/52/41/1045295241.db2.gz VVTVRECGALTDEZ-LLVKDONJSA-N 1 0 348.233 4.154 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000611392397 1045297423 /nfs/dbraw/zinc/29/74/23/1045297423.db2.gz QDQUQCWXOATLKQ-HXUWFJFHSA-N 1 0 333.410 4.388 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000611393292 1045299453 /nfs/dbraw/zinc/29/94/53/1045299453.db2.gz BANLPHPAJYKRJA-ILWGZMRPSA-N 1 0 332.447 4.303 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611395039 1045300146 /nfs/dbraw/zinc/30/01/46/1045300146.db2.gz FMHJBOULSCGVRW-SFHVURJKSA-N 1 0 328.456 4.037 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](CC2CC2)c2ccccc2)cc1 ZINC000611395534 1045301311 /nfs/dbraw/zinc/30/13/11/1045301311.db2.gz ITFAEANXDAPIOF-HXUWFJFHSA-N 1 0 333.435 4.018 20 30 EIEDRO C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391239 1045302712 /nfs/dbraw/zinc/30/27/12/1045302712.db2.gz ICVUISGUOXNMOS-BFUOFWGJSA-N 1 0 342.389 4.271 20 30 EIEDRO COc1ccc(OCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391278 1045302744 /nfs/dbraw/zinc/30/27/44/1045302744.db2.gz OSIYMALVYMGPNM-OAQYLSRUSA-N 1 0 336.435 4.003 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000611476154 1045315997 /nfs/dbraw/zinc/31/59/97/1045315997.db2.gz ORKBQMDUJOHASW-PGRDOPGGSA-N 1 0 345.490 4.190 20 30 EIEDRO C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1ccc(OCC#N)cc1 ZINC000762619807 1045316618 /nfs/dbraw/zinc/31/66/18/1045316618.db2.gz DRBNUIQNPUSALL-LYGPFTKASA-N 1 0 330.472 4.223 20 30 EIEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000611465393 1045316906 /nfs/dbraw/zinc/31/69/06/1045316906.db2.gz FHEKORSRPYOITG-CHWSQXEVSA-N 1 0 328.387 4.126 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCC2CC(OC(C)(C)C)C2)cc1 ZINC000762640661 1045319975 /nfs/dbraw/zinc/31/99/75/1045319975.db2.gz GRQCICJUHBRWQO-ZRZPHAQCSA-N 1 0 329.484 4.333 20 30 EIEDRO COC(=O)Nc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000495752145 1045326405 /nfs/dbraw/zinc/32/64/05/1045326405.db2.gz GCZFWGCXHYYWPJ-FQEVSTJZSA-N 1 0 349.434 4.294 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000915681708 1045447070 /nfs/dbraw/zinc/44/70/70/1045447070.db2.gz DIMMRZRBPNLFMD-INIZCTEOSA-N 1 0 335.451 4.189 20 30 EIEDRO C=CCc1cc(C[N@@H+](C)Cc2ccc(CC)cc2)c(O)c(OC)c1 ZINC000915808188 1045469705 /nfs/dbraw/zinc/46/97/05/1045469705.db2.gz UXHOEWHCKAVILE-UHFFFAOYSA-N 1 0 325.452 4.324 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCC(=O)C2CC2)Cc2cccc(F)c2)cc1 ZINC000767423778 1045534227 /nfs/dbraw/zinc/53/42/27/1045534227.db2.gz WFFAGKFZILYUNR-UHFFFAOYSA-N 1 0 336.410 4.069 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)ccc1C#N ZINC000767688377 1045610992 /nfs/dbraw/zinc/61/09/92/1045610992.db2.gz CVDGUGWWEZPDNM-SGTLLEGYSA-N 1 0 349.261 4.385 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)ccc1C#N ZINC000767687013 1045613056 /nfs/dbraw/zinc/61/30/56/1045613056.db2.gz BFHPIOQCICLVKX-UHFFFAOYSA-N 1 0 333.479 4.393 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCC(C)(C)C2)ccc1OC ZINC000767916709 1045671241 /nfs/dbraw/zinc/67/12/41/1045671241.db2.gz KPXBHQKZZBBRAM-DLBZAZTESA-N 1 0 330.472 4.435 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cc4c(cc3O)CCC4)CC2)cc1 ZINC000767988361 1045693499 /nfs/dbraw/zinc/69/34/99/1045693499.db2.gz XOWQPWQFWPBURW-UHFFFAOYSA-N 1 0 330.431 4.042 20 30 EIEDRO C=C(C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000768207564 1045742302 /nfs/dbraw/zinc/74/23/02/1045742302.db2.gz MQFXELOWSYOYQX-KRWDZBQOSA-N 1 0 344.499 4.325 20 30 EIEDRO CCCCCCCOc1ccc(C[N@@H+]2CCCN(C(C)=O)CC2)cc1 ZINC000768215345 1045754289 /nfs/dbraw/zinc/75/42/89/1045754289.db2.gz DFHTXHODZGRXEN-UHFFFAOYSA-N 1 0 346.515 4.090 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000791565751 1045770105 /nfs/dbraw/zinc/77/01/05/1045770105.db2.gz IUDNWOLEZVYCCJ-FQEVSTJZSA-N 1 0 336.435 4.090 20 30 EIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2cc(C#N)cc(Cl)n2)CC1 ZINC000768374687 1045802401 /nfs/dbraw/zinc/80/24/01/1045802401.db2.gz IENHSQXUIPYWPQ-BBRMVZONSA-N 1 0 345.878 4.049 20 30 EIEDRO C(=NNCC[NH+]1CCCCC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000915973453 1045847817 /nfs/dbraw/zinc/84/78/17/1045847817.db2.gz JBRIWBQQLLQRLU-UHFFFAOYSA-N 1 0 346.478 4.244 20 30 EIEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)OCC ZINC000533716229 1045848873 /nfs/dbraw/zinc/84/88/73/1045848873.db2.gz YXAKYJWKWGHODM-HXUWFJFHSA-N 1 0 344.499 4.372 20 30 EIEDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(C#N)c(F)c1 ZINC000792198825 1045878636 /nfs/dbraw/zinc/87/86/36/1045878636.db2.gz NXMAENQTDDVXKQ-UHFFFAOYSA-N 1 0 337.442 4.320 20 30 EIEDRO O[C@H](C[N@H+](CC#Cc1ccccc1)Cc1ccccc1)c1cccs1 ZINC000792236869 1045881034 /nfs/dbraw/zinc/88/10/34/1045881034.db2.gz FOLIFSHDWXJGPD-OAQYLSRUSA-N 1 0 347.483 4.335 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000769107280 1045881303 /nfs/dbraw/zinc/88/13/03/1045881303.db2.gz SGEMLQDENOIBBY-NRFANRHFSA-N 1 0 335.451 4.079 20 30 EIEDRO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000769318051 1045921572 /nfs/dbraw/zinc/92/15/72/1045921572.db2.gz HIXSKXCOONLOHC-RXVVDRJESA-N 1 0 334.463 4.493 20 30 EIEDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000614923623 1045943820 /nfs/dbraw/zinc/94/38/20/1045943820.db2.gz CYAMVIUTEUAGEB-QGZVFWFLSA-N 1 0 340.389 4.031 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)c1 ZINC000067670264 1045968355 /nfs/dbraw/zinc/96/83/55/1045968355.db2.gz ASKFRADQMOSHJW-UHFFFAOYSA-N 1 0 333.366 4.174 20 30 EIEDRO N#Cc1cncc(C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)c1 ZINC001170253048 1045971236 /nfs/dbraw/zinc/97/12/36/1045971236.db2.gz JEWGHGVSATZJSA-UHFFFAOYSA-N 1 0 345.471 4.184 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC001170362310 1046015984 /nfs/dbraw/zinc/01/59/84/1046015984.db2.gz WEGQERNRIYHBEO-NFOQDIRWSA-N 1 0 331.463 4.453 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3ccc(O)cc3C2)CC1 ZINC001170364858 1046016461 /nfs/dbraw/zinc/01/64/61/1046016461.db2.gz INTUTCWLADZZLY-QKDPSFTKSA-N 1 0 346.474 4.243 20 30 EIEDRO CC(C)Oc1ccnc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001170371989 1046031485 /nfs/dbraw/zinc/03/14/85/1046031485.db2.gz RFOBUEWCWDEJQW-UHFFFAOYSA-N 1 0 349.478 4.363 20 30 EIEDRO CCC[C@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168510149 1046044048 /nfs/dbraw/zinc/04/40/48/1046044048.db2.gz SRPSUICABSOPSK-OALUTQOASA-N 1 0 330.378 4.001 20 30 EIEDRO C[C@H]1[C@H](C)[N@H+](CCCCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000769785782 1046072902 /nfs/dbraw/zinc/07/29/02/1046072902.db2.gz DVWBSRWXZNWDBR-HOTGVXAUSA-N 1 0 337.508 4.036 20 30 EIEDRO CC(=NNc1ccc(F)cc1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000916541434 1046072979 /nfs/dbraw/zinc/07/29/79/1046072979.db2.gz VFQHJPQSKIYYEI-UHFFFAOYSA-N 1 0 341.430 4.353 20 30 EIEDRO CCC(CC)(C[NH2+]C1CCC(C)(C#N)CC1)NC(=O)OC(C)(C)C ZINC000496906728 1046103580 /nfs/dbraw/zinc/10/35/80/1046103580.db2.gz DTXHQXAEUGDDJS-UHFFFAOYSA-N 1 0 337.508 4.132 20 30 EIEDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000792989697 1046119741 /nfs/dbraw/zinc/11/97/41/1046119741.db2.gz JEWAKZZULUKLES-DLBZAZTESA-N 1 0 326.465 4.334 20 30 EIEDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000769990904 1046124255 /nfs/dbraw/zinc/12/42/55/1046124255.db2.gz PKPQELIDLUFVCP-MSOLQXFVSA-N 1 0 348.368 4.183 20 30 EIEDRO CC(C)(C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000770002124 1046127100 /nfs/dbraw/zinc/12/71/00/1046127100.db2.gz JMXICIBZSPFOON-QFBILLFUSA-N 1 0 325.500 4.235 20 30 EIEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763399013 1046127438 /nfs/dbraw/zinc/12/74/38/1046127438.db2.gz YRLITQSQGUKFNS-FZKQIMNGSA-N 1 0 348.368 4.303 20 30 EIEDRO CCCC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763406971 1046133728 /nfs/dbraw/zinc/13/37/28/1046133728.db2.gz JKCFMARMKPPTFO-HXUWFJFHSA-N 1 0 326.415 4.033 20 30 EIEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000763409946 1046136922 /nfs/dbraw/zinc/13/69/22/1046136922.db2.gz IDXVCESLBPUQIA-BHDDXSALSA-N 1 0 334.463 4.168 20 30 EIEDRO CCc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000763410740 1046138939 /nfs/dbraw/zinc/13/89/39/1046138939.db2.gz OEJOEFBKNHWDSM-UXHICEINSA-N 1 0 338.451 4.364 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000763412033 1046144758 /nfs/dbraw/zinc/14/47/58/1046144758.db2.gz CSXJIIZNFKMWFT-VWKPWSFCSA-N 1 0 341.426 4.001 20 30 EIEDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000497019381 1046168718 /nfs/dbraw/zinc/16/87/18/1046168718.db2.gz SEXHVXVLXOWOMP-IRXDYDNUSA-N 1 0 349.519 4.228 20 30 EIEDRO C=C[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000124222938 1046223416 /nfs/dbraw/zinc/22/34/16/1046223416.db2.gz MBQOFZMYDZJHSJ-NRFANRHFSA-N 1 0 348.490 4.259 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000770713323 1046259743 /nfs/dbraw/zinc/25/97/43/1046259743.db2.gz WZKBOZYITABIGT-GOSISDBHSA-N 1 0 333.378 4.010 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000793566164 1046292619 /nfs/dbraw/zinc/29/26/19/1046292619.db2.gz NGHRAVZGIHNDPC-HKUYNNGSSA-N 1 0 329.488 4.407 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000497098803 1046339088 /nfs/dbraw/zinc/33/90/88/1046339088.db2.gz WCWABWQHMIJJJO-SIIHOXLZSA-N 1 0 341.455 4.303 20 30 EIEDRO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001170443254 1046370878 /nfs/dbraw/zinc/37/08/78/1046370878.db2.gz NUJOOOAKKLVSOW-LJQANCHMSA-N 1 0 329.484 4.281 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1 ZINC000271741796 1046384131 /nfs/dbraw/zinc/38/41/31/1046384131.db2.gz VQQOAUPPNWHNQZ-QFIPXVFZSA-N 1 0 346.474 4.167 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](CCOC)c2ccco2)ccc1OC ZINC000272605906 1046395005 /nfs/dbraw/zinc/39/50/05/1046395005.db2.gz SXCQSJBRCSIKLB-KRWDZBQOSA-N 1 0 345.439 4.111 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000273385195 1046400518 /nfs/dbraw/zinc/40/05/18/1046400518.db2.gz CCZLVZXNDOOGPC-PXNSSMCTSA-N 1 0 343.515 4.066 20 30 EIEDRO CC(C)C[N@@H+](Cc1cccc(F)c1C#N)C[C@H](O)c1ccc(F)cc1 ZINC000794384383 1046409594 /nfs/dbraw/zinc/40/95/94/1046409594.db2.gz FZDZEPLNHDCKFS-FQEVSTJZSA-N 1 0 344.405 4.028 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000771575134 1046442442 /nfs/dbraw/zinc/44/24/42/1046442442.db2.gz RRZJVECEQMLETL-IBGZPJMESA-N 1 0 328.843 4.157 20 30 EIEDRO C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000497223262 1046442927 /nfs/dbraw/zinc/44/29/27/1046442927.db2.gz UNABWSYOLRGKJH-LYGPFTKASA-N 1 0 337.508 4.132 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CC2(Cc3ccccc3)CC2)cc1 ZINC000771993647 1046543523 /nfs/dbraw/zinc/54/35/23/1046543523.db2.gz NAYIAYHISFSOCF-UHFFFAOYSA-N 1 0 333.479 4.149 20 30 EIEDRO C[NH+]1C(C)(C)CC(Nc2ccc(C(F)(F)F)c(C#N)n2)CC1(C)C ZINC001170453558 1046553012 /nfs/dbraw/zinc/55/30/12/1046553012.db2.gz NMTAWBDAOJIZGC-UHFFFAOYSA-N 1 0 340.393 4.035 20 30 EIEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000772162155 1046584284 /nfs/dbraw/zinc/58/42/84/1046584284.db2.gz QDOAKDPKSCQJOM-OXJNMPFZSA-N 1 0 349.478 4.447 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000127194164 1046628246 /nfs/dbraw/zinc/62/82/46/1046628246.db2.gz RGZPXAXGBJDCCX-KRWDZBQOSA-N 1 0 348.450 4.025 20 30 EIEDRO COc1ccccc1C[N@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC000917067584 1046631091 /nfs/dbraw/zinc/63/10/91/1046631091.db2.gz NSZYBLZZMLNCAP-UHFFFAOYSA-N 1 0 336.435 4.000 20 30 EIEDRO C=CCOc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000536662357 1046632458 /nfs/dbraw/zinc/63/24/58/1046632458.db2.gz SMKBNCKMXADGSB-GOSISDBHSA-N 1 0 348.918 4.355 20 30 EIEDRO C=CCC(CC=C)C(=O)N(C[C@H](C)[NH+](C)C)c1c(C)cccc1C ZINC001129683780 1046650153 /nfs/dbraw/zinc/65/01/53/1046650153.db2.gz IVFAAFMWTXJUMH-SFHVURJKSA-N 1 0 328.500 4.355 20 30 EIEDRO CC(C)(CC[NH+]1CCCCCC1)Nc1nc(Cl)c(C#N)s1 ZINC000804622285 1046677279 /nfs/dbraw/zinc/67/72/79/1046677279.db2.gz ZVJYTJJUDQBPCH-UHFFFAOYSA-N 1 0 326.897 4.125 20 30 EIEDRO Cc1c(C[NH2+][C@H]2CCc3cc(C#N)ccc32)sc2nc(C)nc(C)c12 ZINC000785617091 1046728485 /nfs/dbraw/zinc/72/84/85/1046728485.db2.gz JKKMVWHOVBIBFE-KRWDZBQOSA-N 1 0 348.475 4.265 20 30 EIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000536840571 1046814211 /nfs/dbraw/zinc/81/42/11/1046814211.db2.gz UOMRFJSHUZYPTD-PXNSSMCTSA-N 1 0 335.451 4.347 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652462 1046838086 /nfs/dbraw/zinc/83/80/86/1046838086.db2.gz BUKHWHDENTVMQZ-OAHLLOKOSA-N 1 0 346.437 4.387 20 30 EIEDRO COc1cccc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000536876672 1046839447 /nfs/dbraw/zinc/83/94/47/1046839447.db2.gz NPEXJZXJGLPSBG-CQSZACIVSA-N 1 0 333.353 4.416 20 30 EIEDRO Cc1cccc(C)c1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000536890958 1046851345 /nfs/dbraw/zinc/85/13/45/1046851345.db2.gz VRBQELOAGYJYBB-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000154372639 1046854663 /nfs/dbraw/zinc/85/46/63/1046854663.db2.gz BFKHBBSGZCXIJY-QGZVFWFLSA-N 1 0 333.435 4.260 20 30 EIEDRO COc1ccc(C[NH2+]CC(C)(C)CC#N)cc1OCc1ccccc1 ZINC000459706272 1046857032 /nfs/dbraw/zinc/85/70/32/1046857032.db2.gz ZBCLQHUAYBCNRP-UHFFFAOYSA-N 1 0 338.451 4.304 20 30 EIEDRO COc1ccc(C[NH2+]C2(C3CCC3)CCC2)cc1OCCCC#N ZINC000459741014 1046877522 /nfs/dbraw/zinc/87/75/22/1046877522.db2.gz JWBRVXXTQZLPEL-UHFFFAOYSA-N 1 0 328.456 4.190 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2C)c1 ZINC000786916530 1046880762 /nfs/dbraw/zinc/88/07/62/1046880762.db2.gz MBPDSIHSOLZDSN-QAPCUYQASA-N 1 0 340.471 4.304 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cnn1-c1ccccc1 ZINC000787025353 1046893028 /nfs/dbraw/zinc/89/30/28/1046893028.db2.gz GEPZJQDTHXMXPD-NYHFZMIOSA-N 1 0 342.446 4.391 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618793 1046894537 /nfs/dbraw/zinc/89/45/37/1046894537.db2.gz HOZYWLXQILEIGK-HNNXBMFYSA-N 1 0 339.414 4.109 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)cc1 ZINC000787029423 1046895325 /nfs/dbraw/zinc/89/53/25/1046895325.db2.gz YENSJKAAVNUKOO-MSOLQXFVSA-N 1 0 332.806 4.125 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(Cl)nc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000787279985 1046968816 /nfs/dbraw/zinc/96/88/16/1046968816.db2.gz ORIMPQBDKYWCAZ-SNVBAGLBSA-N 1 0 339.748 4.476 20 30 EIEDRO C=C(C)CN(C)C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000497686033 1046981893 /nfs/dbraw/zinc/98/18/93/1046981893.db2.gz IDCZDYYNQLLSMR-QGZVFWFLSA-N 1 0 331.504 4.114 20 30 EIEDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000787306434 1046991210 /nfs/dbraw/zinc/99/12/10/1046991210.db2.gz NEZWNRALTQNFAS-WBVHZDCISA-N 1 0 338.904 4.396 20 30 EIEDRO COc1cccc(O)c1C=Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000917557566 1046996079 /nfs/dbraw/zinc/99/60/79/1046996079.db2.gz ASAXUMUZHYVOHR-UHFFFAOYSA-N 1 0 338.451 4.180 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000537175320 1047006809 /nfs/dbraw/zinc/00/68/09/1047006809.db2.gz CSBBMXXLZKBRMQ-GFCCVEGCSA-N 1 0 345.805 4.030 20 30 EIEDRO CCC[N@H+](CCCC(C)(C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174847701 1047011780 /nfs/dbraw/zinc/01/17/80/1047011780.db2.gz FRZJOEBNIZIUMP-INIZCTEOSA-N 1 0 337.508 4.038 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000537292860 1047074176 /nfs/dbraw/zinc/07/41/76/1047074176.db2.gz ASZIEQUEAPCWQS-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000537303939 1047086036 /nfs/dbraw/zinc/08/60/36/1047086036.db2.gz KWHIDAVWOFJPAZ-NEPJUHHUSA-N 1 0 338.245 4.031 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000806174762 1047160244 /nfs/dbraw/zinc/16/02/44/1047160244.db2.gz NAEGHWUGLMNGCL-ZWKOTPCHSA-N 1 0 348.368 4.351 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)ccc1OC ZINC000806147530 1047172957 /nfs/dbraw/zinc/17/29/57/1047172957.db2.gz XYXAJBOLYPCZIV-BRWVUGGUSA-N 1 0 330.472 4.290 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537400822 1047194864 /nfs/dbraw/zinc/19/48/64/1047194864.db2.gz KDMVODUQKWRNFW-IERDGZPVSA-N 1 0 339.458 4.431 20 30 EIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000537405389 1047196471 /nfs/dbraw/zinc/19/64/71/1047196471.db2.gz IMWATHSDDSSZNT-KPZWWZAWSA-N 1 0 332.806 4.389 20 30 EIEDRO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccc(C#N)c(F)c1 ZINC000537405745 1047197560 /nfs/dbraw/zinc/19/75/60/1047197560.db2.gz SNLFKVDHKXUYGX-GFCCVEGCSA-N 1 0 331.460 4.345 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000537408433 1047201233 /nfs/dbraw/zinc/20/12/33/1047201233.db2.gz XJHKSCSSYKPILZ-ZIAGYGMSSA-N 1 0 342.414 4.435 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(Br)c(F)cc1[O-] ZINC000806177622 1047202105 /nfs/dbraw/zinc/20/21/05/1047202105.db2.gz DUAYWNBIRWLGOC-JTQLQIEISA-N 1 0 343.240 4.274 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)cc(OC)c1OC ZINC000788513353 1047210067 /nfs/dbraw/zinc/21/00/67/1047210067.db2.gz QJYTWZVAXUJWFA-UHFFFAOYSA-N 1 0 336.435 4.203 20 30 EIEDRO C#CCCN[C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000760295935 1047243655 /nfs/dbraw/zinc/24/36/55/1047243655.db2.gz NVPNPSMGAYOOMZ-IBGZPJMESA-N 1 0 329.827 4.060 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)c1 ZINC000788648100 1047248649 /nfs/dbraw/zinc/24/86/49/1047248649.db2.gz XGMPHPZODJJALO-NQIIRXRSSA-N 1 0 336.435 4.240 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000788618500 1047250244 /nfs/dbraw/zinc/25/02/44/1047250244.db2.gz ARTPHFBPBAKWKC-KPOBHBOGSA-N 1 0 326.415 4.106 20 30 EIEDRO Cc1ccc(-c2noc([C@@H](C)[NH2+]CCCC(C)(C)C#N)n2)cc1F ZINC000542609968 1047273917 /nfs/dbraw/zinc/27/39/17/1047273917.db2.gz GTYIFAZWKXVYDG-CYBMUJFWSA-N 1 0 330.407 4.165 20 30 EIEDRO C=CCCC1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000476085768 1047302287 /nfs/dbraw/zinc/30/22/87/1047302287.db2.gz VDFOEKQIKKJUAY-ICSRJNTNSA-N 1 0 340.511 4.244 20 30 EIEDRO CC[NH+](CC)Cc1cc(OC)ccc1NCc1ccc(C#N)c(F)c1 ZINC001170095798 1047354685 /nfs/dbraw/zinc/35/46/85/1047354685.db2.gz ICJJPHAYCFUCKE-UHFFFAOYSA-N 1 0 341.430 4.160 20 30 EIEDRO CCCCCCCC(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000918350726 1047412456 /nfs/dbraw/zinc/41/24/56/1047412456.db2.gz OEXYDNCDNPDABE-UHFFFAOYSA-N 1 0 346.515 4.136 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(Br)c1 ZINC001137638195 1047450196 /nfs/dbraw/zinc/45/01/96/1047450196.db2.gz VWIWTQIOKYEYTM-CABCVRRESA-N 1 0 333.273 4.333 20 30 EIEDRO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2-c2ccccc2)n1 ZINC000789761987 1047468105 /nfs/dbraw/zinc/46/81/05/1047468105.db2.gz OKUPUMSXEXHDSI-UHFFFAOYSA-N 1 0 329.447 4.205 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(F)(c3ccccc3)CC2)cc1 ZINC000789757367 1047468736 /nfs/dbraw/zinc/46/87/36/1047468736.db2.gz MYVALDHVXIGDEJ-QGZVFWFLSA-N 1 0 338.426 4.438 20 30 EIEDRO CC(C)C[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000170984244 1047601453 /nfs/dbraw/zinc/60/14/53/1047601453.db2.gz DASVJGRLEDODQL-MRXNPFEDSA-N 1 0 347.528 4.243 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000918737976 1047630250 /nfs/dbraw/zinc/63/02/50/1047630250.db2.gz VBPAUCYGZVXIFH-GOSISDBHSA-N 1 0 335.369 4.427 20 30 EIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCC(C)(C)C ZINC000556291028 1047657807 /nfs/dbraw/zinc/65/78/07/1047657807.db2.gz ZEGMUBJWDBSNRT-UHFFFAOYSA-N 1 0 336.549 4.021 20 30 EIEDRO C=CCCC1(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000476455463 1047817513 /nfs/dbraw/zinc/81/75/13/1047817513.db2.gz DRGHUJMSBUYZHP-UYAOXDASSA-N 1 0 340.511 4.150 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)nc1 ZINC000824230918 1047846166 /nfs/dbraw/zinc/84/61/66/1047846166.db2.gz DUDIBYYNRNZZLW-LPHOPBHVSA-N 1 0 325.843 4.108 20 30 EIEDRO C=C(C)CN(C)C(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001131243616 1047862895 /nfs/dbraw/zinc/86/28/95/1047862895.db2.gz IMKRGUGHQPKNGB-MRXNPFEDSA-N 1 0 342.405 4.123 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2cc(F)cc3cccnc32)C2CC2)cc1 ZINC000194960180 1047890425 /nfs/dbraw/zinc/89/04/25/1047890425.db2.gz WVFZGPJAXNOCBB-UHFFFAOYSA-N 1 0 331.394 4.410 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cncc(Br)c1 ZINC000194988515 1047894980 /nfs/dbraw/zinc/89/49/80/1047894980.db2.gz CSEGTHLLRHQPCB-UHFFFAOYSA-N 1 0 344.256 4.126 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)ccc1C#N ZINC000808449055 1047911951 /nfs/dbraw/zinc/91/19/51/1047911951.db2.gz PBXARLBTSQCZRY-XZOQPEGZSA-N 1 0 342.442 4.431 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](COC)c2cccc(Cl)c2)cc1 ZINC000808455031 1047918027 /nfs/dbraw/zinc/91/80/27/1047918027.db2.gz TYZYDMAKMGMUJJ-HXUWFJFHSA-N 1 0 343.854 4.219 20 30 EIEDRO COC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cccc(Cl)c1 ZINC000808453940 1047920727 /nfs/dbraw/zinc/92/07/27/1047920727.db2.gz BGUVVNRLTCZEDD-LIRRHRJNSA-N 1 0 344.842 4.108 20 30 EIEDRO CN(C)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1F ZINC000814305028 1047969493 /nfs/dbraw/zinc/96/94/93/1047969493.db2.gz VYTRWSUHHGGJKW-IBGZPJMESA-N 1 0 325.431 4.416 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 ZINC000814301587 1047970891 /nfs/dbraw/zinc/97/08/91/1047970891.db2.gz XYVNMKXZWNCSPZ-KESTWPANSA-N 1 0 337.442 4.211 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)cc1 ZINC000825017323 1048019320 /nfs/dbraw/zinc/01/93/20/1048019320.db2.gz OYMRIAYRUGXZLF-UHFFFAOYSA-N 1 0 337.442 4.040 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000825045502 1048024152 /nfs/dbraw/zinc/02/41/52/1048024152.db2.gz FRMJFDKGASVUFQ-MEDUHNTESA-N 1 0 346.352 4.172 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCN(C)c3ccccc32)cc1 ZINC000825110281 1048038414 /nfs/dbraw/zinc/03/84/14/1048038414.db2.gz DQVWASZCYYINCO-OAQYLSRUSA-N 1 0 334.463 4.150 20 30 EIEDRO CCCCC[C@@H](C)NC(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000919770967 1048060191 /nfs/dbraw/zinc/06/01/91/1048060191.db2.gz YGVQSXWOSUQSGT-SJORKVTESA-N 1 0 329.488 4.026 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825291031 1048061769 /nfs/dbraw/zinc/06/17/69/1048061769.db2.gz CHMQZVLJZRECGH-INIZCTEOSA-N 1 0 344.842 4.325 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000556865385 1048071653 /nfs/dbraw/zinc/07/16/53/1048071653.db2.gz MCINBXCTWLFJNV-FQEVSTJZSA-N 1 0 345.490 4.237 20 30 EIEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccc4c(c3)COC4)CC2)cc1 ZINC001137027108 1048080257 /nfs/dbraw/zinc/08/02/57/1048080257.db2.gz CDFUSQIMTSCFAQ-UHFFFAOYSA-N 1 0 332.447 4.043 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](COC)c2cccc(Cl)c2)cc1 ZINC000808731833 1048094252 /nfs/dbraw/zinc/09/42/52/1048094252.db2.gz BVKFRLBDVIQGFP-YWZLYKJASA-N 1 0 343.854 4.390 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000814659822 1048106320 /nfs/dbraw/zinc/10/63/20/1048106320.db2.gz PZXJCJUJMRLNHU-KRWDZBQOSA-N 1 0 327.359 4.259 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000814661353 1048107185 /nfs/dbraw/zinc/10/71/85/1048107185.db2.gz XTDQYDXOAFXIAH-OALUTQOASA-N 1 0 330.378 4.023 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000808769106 1048114929 /nfs/dbraw/zinc/11/49/29/1048114929.db2.gz SVPIQLWQPBHLRG-QKKBWIMNSA-N 1 0 334.394 4.235 20 30 EIEDRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000556895281 1048121053 /nfs/dbraw/zinc/12/10/53/1048121053.db2.gz OANKPJCOXQCGEW-SAABIXHNSA-N 1 0 330.472 4.436 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c(C)c1OC ZINC000556892227 1048137062 /nfs/dbraw/zinc/13/70/62/1048137062.db2.gz JAXFRETUSBZYMM-UONOGXRCSA-N 1 0 342.414 4.435 20 30 EIEDRO CCC=CNc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001170768145 1048198291 /nfs/dbraw/zinc/19/82/91/1048198291.db2.gz ZQQSXJAGAOUABJ-QLKAYGNNSA-N 1 0 346.478 4.475 20 30 EIEDRO N#C[C@H]1CC[C@@H](COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000809089957 1048204829 /nfs/dbraw/zinc/20/48/29/1048204829.db2.gz WOPKESOLFBBZJB-IZAXUBKRSA-N 1 0 340.467 4.159 20 30 EIEDRO COc1ccc(NN=C(C)c2ccc(C[NH+](C)C)cc2)cc1Cl ZINC000814902921 1048225816 /nfs/dbraw/zinc/22/58/16/1048225816.db2.gz ZDJYUSTXMNGJHS-UHFFFAOYSA-N 1 0 331.847 4.246 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H](C)c2ncc(F)cn2)cc1 ZINC001171119267 1048285814 /nfs/dbraw/zinc/28/58/14/1048285814.db2.gz PFJYSTHAVQEIDS-RDTXWAMCSA-N 1 0 326.419 4.112 20 30 EIEDRO C[C@H](CCSc1ccccc1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366255 1048305519 /nfs/dbraw/zinc/30/55/19/1048305519.db2.gz LQLNECKFKJNBKB-OXQOHEQNSA-N 1 0 340.492 4.094 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844439945 1048339755 /nfs/dbraw/zinc/33/97/55/1048339755.db2.gz ZCHKHFBSKSJYJP-OAHLLOKOSA-N 1 0 345.311 4.058 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(C(C)(F)F)cc2)cc1 ZINC000815142214 1048365386 /nfs/dbraw/zinc/36/53/86/1048365386.db2.gz PLEXPUAUKNFUKL-UHFFFAOYSA-N 1 0 329.390 4.490 20 30 EIEDRO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H](CC)CCCCCC)C2 ZINC001170581458 1048389922 /nfs/dbraw/zinc/38/99/22/1048389922.db2.gz LMCMRPKXUAKXAC-MOPGFXCFSA-N 1 0 330.516 4.230 20 30 EIEDRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(C#N)ccn1 ZINC001170582186 1048393813 /nfs/dbraw/zinc/39/38/13/1048393813.db2.gz MPVDUPZQFLKEIZ-LJQANCHMSA-N 1 0 327.859 4.354 20 30 EIEDRO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001144075285 1048407515 /nfs/dbraw/zinc/40/75/15/1048407515.db2.gz LMDRUWJEZFVINB-GOSISDBHSA-N 1 0 328.500 4.006 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000809618182 1048421779 /nfs/dbraw/zinc/42/17/79/1048421779.db2.gz FCFWMPHUEATZSJ-GFCCVEGCSA-N 1 0 332.216 4.420 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc1 ZINC001144163250 1048471551 /nfs/dbraw/zinc/47/15/51/1048471551.db2.gz XCTCJFASWONLLN-CQSZACIVSA-N 1 0 332.234 4.250 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2c(c1)CCC=C2)C(C)C ZINC001144197082 1048487664 /nfs/dbraw/zinc/48/76/64/1048487664.db2.gz CXKKXXSATIUHEW-NRFANRHFSA-N 1 0 338.495 4.074 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)/C=C(\C)c1ccccc1C)C(C)C ZINC001144197694 1048488540 /nfs/dbraw/zinc/48/85/40/1048488540.db2.gz KHXRABXXCJQQGZ-DQYQWZCESA-N 1 0 340.511 4.213 20 30 EIEDRO C=CCOc1cccc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000809712834 1048490352 /nfs/dbraw/zinc/49/03/52/1048490352.db2.gz VIQUEOKCRDRJMP-UHFFFAOYSA-N 1 0 348.240 4.009 20 30 EIEDRO Cc1cc(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000809754169 1048520096 /nfs/dbraw/zinc/52/00/96/1048520096.db2.gz DVPRAJKLYPRERK-SFHVURJKSA-N 1 0 349.261 4.387 20 30 EIEDRO C#CCCCCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844889823 1048538681 /nfs/dbraw/zinc/53/86/81/1048538681.db2.gz VRRDTNLSRUTESW-UHFFFAOYSA-N 1 0 330.497 4.007 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N\CC[N@@H+]1CCc2sccc2C1 ZINC000920173069 1048573072 /nfs/dbraw/zinc/57/30/72/1048573072.db2.gz OERIGKGHPRZLFN-BKUYFWCQSA-N 1 0 336.460 4.084 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc4c(C#N)nccc4c3)c2c1 ZINC001171169059 1048618502 /nfs/dbraw/zinc/61/85/02/1048618502.db2.gz YHYZXRNGAJOMDW-HNNXBMFYSA-N 1 0 340.430 4.249 20 30 EIEDRO N#CCSCCC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000074981993 1048636330 /nfs/dbraw/zinc/63/63/30/1048636330.db2.gz GIWSWNDTHYNAPV-HNNXBMFYSA-N 1 0 339.302 4.233 20 30 EIEDRO C=C(Cc1ccccc1)C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001144395153 1048638555 /nfs/dbraw/zinc/63/85/55/1048638555.db2.gz MFFYFDHIHIERRK-UHFFFAOYSA-N 1 0 334.463 4.233 20 30 EIEDRO C=C(Br)C[NH2+]C/C(C)=C\c1ccccc1OC(F)F ZINC000810142531 1048645711 /nfs/dbraw/zinc/64/57/11/1048645711.db2.gz LBNDZNZJUTUPHX-YFHOEESVSA-N 1 0 332.188 4.190 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)ccc1OC ZINC000810144693 1048647603 /nfs/dbraw/zinc/64/76/03/1048647603.db2.gz FKKPMCSTNQHHSB-KFKAGJAMSA-N 1 0 342.483 4.458 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC001171179593 1048652779 /nfs/dbraw/zinc/65/27/79/1048652779.db2.gz UTBGIISYDYOMHT-HTAPYJJXSA-N 1 0 327.431 4.263 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1cc(CC[NH3+])c2cc(Cl)ccc21 ZINC001171182916 1048674052 /nfs/dbraw/zinc/67/40/52/1048674052.db2.gz ZSXJFZKVDLARRB-AWEZNQCLSA-N 1 0 337.854 4.471 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCCC2=O)cc1 ZINC000810212740 1048682857 /nfs/dbraw/zinc/68/28/57/1048682857.db2.gz WXHJQICGWLONPF-BTYIYWSLSA-N 1 0 345.446 4.023 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC001171189723 1048686589 /nfs/dbraw/zinc/68/65/89/1048686589.db2.gz KHHGLONVLPZHQN-SJKOYZFVSA-N 1 0 349.261 4.119 20 30 EIEDRO C#CC1CC[NH+](Cc2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC001144499623 1048699422 /nfs/dbraw/zinc/69/94/22/1048699422.db2.gz PKYIOXAPLXTDTB-UHFFFAOYSA-N 1 0 335.447 4.119 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)NC(=[NH2+])Cc1cccc(C(F)(F)F)c1 ZINC001171194920 1048701410 /nfs/dbraw/zinc/70/14/10/1048701410.db2.gz NIJKJZMVIKTGCO-ZDUSSCGKSA-N 1 0 345.368 4.318 20 30 EIEDRO COc1ccccc1CC1([NH2+][C@H](C)Cc2cccc(C#N)c2)CCC1 ZINC001171197671 1048716665 /nfs/dbraw/zinc/71/66/65/1048716665.db2.gz BDBVYQKAMBPSLY-QGZVFWFLSA-N 1 0 334.463 4.253 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccncc1Cl)C1CC1 ZINC001171197747 1048718609 /nfs/dbraw/zinc/71/86/09/1048718609.db2.gz BYICKHIGXISSEH-DJJJIMSYSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccncc1Cl)C1CC1 ZINC001171197749 1048719023 /nfs/dbraw/zinc/71/90/23/1048719023.db2.gz BYICKHIGXISSEH-ORAYPTAESA-N 1 0 325.843 4.279 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)OCc3ccccc3)cc2)C1 ZINC000810249994 1048727855 /nfs/dbraw/zinc/72/78/55/1048727855.db2.gz KDEHIBRTUCNAFC-FPOVZHCZSA-N 1 0 348.446 4.216 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cc(Cl)ccc1O ZINC000810250116 1048728241 /nfs/dbraw/zinc/72/82/41/1048728241.db2.gz IHWPOARNSXXIJU-INIZCTEOSA-N 1 0 330.815 4.167 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(c3nnc(-c4ccccc4)o3)CC2)cc1 ZINC001144573372 1048732120 /nfs/dbraw/zinc/73/21/20/1048732120.db2.gz HPYGQKVJPFAKLO-UHFFFAOYSA-N 1 0 343.430 4.098 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(OCC)cc3)CC2)cc1 ZINC001144573679 1048732555 /nfs/dbraw/zinc/73/25/55/1048732555.db2.gz ONTZVGFANHYFTJ-UHFFFAOYSA-N 1 0 347.458 4.162 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1cccnc1Cl)C1CC1 ZINC001171202202 1048758914 /nfs/dbraw/zinc/75/89/14/1048758914.db2.gz XXFQILWKLOCXKF-ACJLOTCBSA-N 1 0 325.843 4.279 20 30 EIEDRO C=CC[C@H]1CC[C@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000845948386 1048762653 /nfs/dbraw/zinc/76/26/53/1048762653.db2.gz DZJWJLPQVQDQDQ-HKUYNNGSSA-N 1 0 327.516 4.374 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)cc1C#N ZINC000845946180 1048770112 /nfs/dbraw/zinc/77/01/12/1048770112.db2.gz QMXSTKXTPKNBAE-OAHLLOKOSA-N 1 0 330.790 4.136 20 30 EIEDRO CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001171204193 1048773632 /nfs/dbraw/zinc/77/36/32/1048773632.db2.gz UJGHOHHQPLYYBD-ZWKOTPCHSA-N 1 0 336.479 4.451 20 30 EIEDRO C#CCCCCCC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000816456291 1048806738 /nfs/dbraw/zinc/80/67/38/1048806738.db2.gz FGHIMHLKYKDOPX-QUCCMNQESA-N 1 0 327.468 4.024 20 30 EIEDRO C[C@H]1[C@@H](OC(=O)CCCCCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000816470369 1048806892 /nfs/dbraw/zinc/80/68/92/1048806892.db2.gz MQWYUASZNKRYNM-HKUYNNGSSA-N 1 0 328.456 4.057 20 30 EIEDRO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)c1 ZINC001144717310 1048816686 /nfs/dbraw/zinc/81/66/86/1048816686.db2.gz KGUGVKYLTOZDTN-HXUWFJFHSA-N 1 0 331.419 4.083 20 30 EIEDRO CCOc1ccc(/C=N\C[C@@H](c2cccs2)[NH+]2CCCC2)c(O)c1 ZINC000920944382 1048817712 /nfs/dbraw/zinc/81/77/12/1048817712.db2.gz WIMNQQNETITQFL-IZQLPPHKSA-N 1 0 344.480 4.108 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1 ZINC000846102930 1048821226 /nfs/dbraw/zinc/82/12/26/1048821226.db2.gz QZNMHLZVXWVJML-OCCSQVGLSA-N 1 0 327.255 4.041 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816530853 1048825881 /nfs/dbraw/zinc/82/58/81/1048825881.db2.gz XTIIRYITPOGCRB-UHFFFAOYSA-N 1 0 348.471 4.440 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)c2cccc(F)c2)cc1OC ZINC000921070127 1048840938 /nfs/dbraw/zinc/84/09/38/1048840938.db2.gz SRLKWPVWZZHMHQ-HNNXBMFYSA-N 1 0 329.415 4.292 20 30 EIEDRO C=C(Br)C[NH2+]Cc1c(-c2ccccc2)nc2sccn21 ZINC000921072491 1048841329 /nfs/dbraw/zinc/84/13/29/1048841329.db2.gz QZISAMKRXLWECS-UHFFFAOYSA-N 1 0 348.269 4.061 20 30 EIEDRO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccc4scnc4c3)C2)c1 ZINC001144743357 1048848336 /nfs/dbraw/zinc/84/83/36/1048848336.db2.gz KDPCFZJCODDSSB-SFHVURJKSA-N 1 0 349.459 4.211 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC001171221825 1048857179 /nfs/dbraw/zinc/85/71/79/1048857179.db2.gz VQDYAPLUZCCSPN-INIZCTEOSA-N 1 0 338.426 4.172 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC001212253677 1048913215 /nfs/dbraw/zinc/91/32/15/1048913215.db2.gz NZRBAKFWYHGGLS-UHFFFAOYSA-N 1 0 346.478 4.127 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)cc1 ZINC000772958892 1048997458 /nfs/dbraw/zinc/99/74/58/1048997458.db2.gz INFPBKJNVKIQBN-IBGZPJMESA-N 1 0 326.827 4.410 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000772960743 1048997815 /nfs/dbraw/zinc/99/78/15/1048997815.db2.gz VQCHAFIPQBWXIL-WFXMLNOXSA-N 1 0 349.478 4.075 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C(C)C)c(F)c1 ZINC000817578464 1049008563 /nfs/dbraw/zinc/00/85/63/1049008563.db2.gz LGHFKLFXNCWSDX-FQEVSTJZSA-N 1 0 342.414 4.224 20 30 EIEDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1C ZINC000609466638 1049076370 /nfs/dbraw/zinc/07/63/70/1049076370.db2.gz XRAAAPDFMLPONI-IBGZPJMESA-N 1 0 337.442 4.073 20 30 EIEDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]C13CCC(C#N)(CC1)CC3)CC2 ZINC001171298556 1049097162 /nfs/dbraw/zinc/09/71/62/1049097162.db2.gz LROHFHLIHWOJCP-JAGHRAMZSA-N 1 0 344.886 4.412 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000818348074 1049127898 /nfs/dbraw/zinc/12/78/98/1049127898.db2.gz ZHVCYOZIWLSGKG-PJODQICGSA-N 1 0 329.362 4.043 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000818346390 1049128300 /nfs/dbraw/zinc/12/83/00/1049128300.db2.gz DRMFNZXPIUVEHE-VCOUNFBDSA-N 1 0 337.463 4.247 20 30 EIEDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001171309498 1049165514 /nfs/dbraw/zinc/16/55/14/1049165514.db2.gz YLWPPPPCVMCAQJ-NRFANRHFSA-N 1 0 338.426 4.173 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)Cc2cccs2)ccc1OC ZINC000772984312 1049210770 /nfs/dbraw/zinc/21/07/70/1049210770.db2.gz DHPBCBDYWWOMPV-HOCLYGCPSA-N 1 0 344.480 4.158 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)Cc2cccs2)ccc1OC ZINC000772984310 1049213428 /nfs/dbraw/zinc/21/34/28/1049213428.db2.gz DHPBCBDYWWOMPV-GDBMZVCRSA-N 1 0 344.480 4.158 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+]CC2(c3cccs3)CCCCC2)cc1 ZINC000819091529 1049251020 /nfs/dbraw/zinc/25/10/20/1049251020.db2.gz HIMJSMUSRFTZGU-GOSISDBHSA-N 1 0 340.492 4.145 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)COC3)c1 ZINC000772984816 1049265028 /nfs/dbraw/zinc/26/50/28/1049265028.db2.gz QHCHOXGWVHPKQP-MGPUTAFESA-N 1 0 336.435 4.249 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1C ZINC000772989606 1049295861 /nfs/dbraw/zinc/29/58/61/1049295861.db2.gz WTYAQZMEQPYXLQ-QGZVFWFLSA-N 1 0 345.446 4.044 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1sc(C(C)C)nc1C ZINC000772988923 1049300899 /nfs/dbraw/zinc/30/08/99/1049300899.db2.gz UBRUDILPRCITGN-CQSZACIVSA-N 1 0 328.481 4.438 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000772988976 1049301148 /nfs/dbraw/zinc/30/11/48/1049301148.db2.gz VFRJKRQRUFWWKK-GOSISDBHSA-N 1 0 341.838 4.356 20 30 EIEDRO CC[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000609771972 1049311655 /nfs/dbraw/zinc/31/16/55/1049311655.db2.gz LHQUEAXUOVQKFN-INIZCTEOSA-N 1 0 347.890 4.099 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H](C)C(C)C ZINC000609848431 1049357285 /nfs/dbraw/zinc/35/72/85/1049357285.db2.gz IXNAJBOYRHIFLJ-CQSZACIVSA-N 1 0 347.528 4.194 20 30 EIEDRO C[C@@H](NN=C1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccncc1 ZINC000819818475 1049374794 /nfs/dbraw/zinc/37/47/94/1049374794.db2.gz MQOFMYBKSABSNY-IERDGZPVSA-N 1 0 334.467 4.088 20 30 EIEDRO CC(C)([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1ccc(C#N)cc1 ZINC001171339691 1049387956 /nfs/dbraw/zinc/38/79/56/1049387956.db2.gz GFCFNVZRWCRNKS-QGZVFWFLSA-N 1 0 326.390 4.219 20 30 EIEDRO CC(C)(CCC#N)c1ccc(C(=O)Nc2ccn3ccnc3c2)cc1 ZINC001148901749 1049396268 /nfs/dbraw/zinc/39/62/68/1049396268.db2.gz ZVSCDZLTHFUSMN-UHFFFAOYSA-N 1 0 332.407 4.168 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000812358086 1049435525 /nfs/dbraw/zinc/43/55/25/1049435525.db2.gz HHTBMFZQUOKKNC-IBGZPJMESA-N 1 0 325.481 4.339 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000195673967 1049476735 /nfs/dbraw/zinc/47/67/35/1049476735.db2.gz YLWPNHFJGMRELQ-GOSISDBHSA-N 1 0 341.842 4.281 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000348203392 1049495591 /nfs/dbraw/zinc/49/55/91/1049495591.db2.gz CTDUNRYYWGJZLK-APWZRJJASA-N 1 0 328.843 4.028 20 30 EIEDRO C#CCSCC[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000773011778 1049524926 /nfs/dbraw/zinc/52/49/26/1049524926.db2.gz VTCXUEFAEZEYBM-CQSZACIVSA-N 1 0 330.522 4.059 20 30 EIEDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030563 1049541654 /nfs/dbraw/zinc/54/16/54/1049541654.db2.gz SSGUJKKGFIPRRH-ZDUSSCGKSA-N 1 0 348.368 4.410 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2COc3ccc(Cl)cc32)cc1 ZINC000773060491 1049557633 /nfs/dbraw/zinc/55/76/33/1049557633.db2.gz QRRIFVHMAOTTRY-ACJLOTCBSA-N 1 0 327.811 4.136 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(Cl)c2)cc1 ZINC000773068749 1049565746 /nfs/dbraw/zinc/56/57/46/1049565746.db2.gz PYTBBRHSSJRVPJ-AWEZNQCLSA-N 1 0 329.827 4.211 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cc(Cl)ccc1OC ZINC000773076319 1049570415 /nfs/dbraw/zinc/57/04/15/1049570415.db2.gz LUNPUQJSZHSWOW-QGZVFWFLSA-N 1 0 344.842 4.470 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2cnc(C)s2)cc1 ZINC000773081155 1049572146 /nfs/dbraw/zinc/57/21/46/1049572146.db2.gz LFFCYCKCTOXCNV-ZDUSSCGKSA-N 1 0 336.888 4.476 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)c1ccc(F)cc1 ZINC000812792597 1049573191 /nfs/dbraw/zinc/57/31/91/1049573191.db2.gz CKFSQLFNQSHBHA-MRXNPFEDSA-N 1 0 348.215 4.066 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2ccncc2C)cc1 ZINC000773107540 1049586679 /nfs/dbraw/zinc/58/66/79/1049586679.db2.gz XFRSAWDBDLVUPA-MRXNPFEDSA-N 1 0 330.859 4.415 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC)c1ccccc1 ZINC000773115739 1049586989 /nfs/dbraw/zinc/58/69/89/1049586989.db2.gz OMVSWHFRQFDYAV-YWZLYKJASA-N 1 0 336.435 4.069 20 30 EIEDRO C#CC[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000773117778 1049587631 /nfs/dbraw/zinc/58/76/31/1049587631.db2.gz WRVCGUYBYHZMKP-QHCPKHFHSA-N 1 0 332.491 4.048 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812791935 1049588671 /nfs/dbraw/zinc/58/86/71/1049588671.db2.gz DURBEAPTATXNKQ-CLCXKQKWSA-N 1 0 341.426 4.299 20 30 EIEDRO COc1cc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)ccc1SC ZINC000821021285 1049590161 /nfs/dbraw/zinc/59/01/61/1049590161.db2.gz FAQHSJISVGNTLO-NTMALXAHSA-N 1 0 341.476 4.375 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000773114780 1049590840 /nfs/dbraw/zinc/59/08/40/1049590840.db2.gz JVCFZNALUCKLPE-UXHICEINSA-N 1 0 337.463 4.379 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000812842602 1049606399 /nfs/dbraw/zinc/60/63/99/1049606399.db2.gz MTDPZOQVKMFOLS-SFHVURJKSA-N 1 0 329.532 4.446 20 30 EIEDRO CC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849955 1049611821 /nfs/dbraw/zinc/61/18/21/1049611821.db2.gz RZJSQEHQRZEJMT-JXFKEZNVSA-N 1 0 327.855 4.136 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000237582790 1049635041 /nfs/dbraw/zinc/63/50/41/1049635041.db2.gz LSKBBYAKVTUAFQ-ZIAGYGMSSA-N 1 0 346.377 4.430 20 30 EIEDRO C=C[C@H](CC(=O)NC[C@H]1CCCC[N@H+]1CCCC)c1ccccc1 ZINC001136465944 1049663468 /nfs/dbraw/zinc/66/34/68/1049663468.db2.gz ZEKFHFDODUHLHM-UYAOXDASSA-N 1 0 328.500 4.117 20 30 EIEDRO N#CCOc1cccc(N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000716715920 1049704416 /nfs/dbraw/zinc/70/44/16/1049704416.db2.gz YORCSKXGOJYHCO-JBACZVJFSA-N 1 0 347.462 4.054 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2cccc(Cl)c2)c1 ZINC000237776793 1049757175 /nfs/dbraw/zinc/75/71/75/1049757175.db2.gz WJOVPSHZEAFMBB-UHFFFAOYSA-N 1 0 328.843 4.355 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCCC#N)C[C@H]1C(C)(C)C ZINC001171581865 1049762419 /nfs/dbraw/zinc/76/24/19/1049762419.db2.gz JXBQXTMGNVYDQD-HOTGVXAUSA-N 1 0 337.508 4.084 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C#N)CC2)C[C@@H]1C(C)(C)C ZINC001171599625 1049763595 /nfs/dbraw/zinc/76/35/95/1049763595.db2.gz CQOXFZSXCXEGMN-IAGOWNOFSA-N 1 0 349.519 4.036 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171612507 1049765571 /nfs/dbraw/zinc/76/55/71/1049765571.db2.gz KAIUZKZHEDVATP-SJORKVTESA-N 1 0 336.520 4.475 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)C1 ZINC001171615494 1049766714 /nfs/dbraw/zinc/76/67/14/1049766714.db2.gz WTCDKXMODDDRCO-SQNIBIBYSA-N 1 0 348.531 4.146 20 30 EIEDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1O ZINC000822525572 1049767822 /nfs/dbraw/zinc/76/78/22/1049767822.db2.gz IPDDBUYTDJQVPH-LBPRGKRZSA-N 1 0 330.815 4.119 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC001136595675 1049771715 /nfs/dbraw/zinc/77/17/15/1049771715.db2.gz JVJDBFFUKACUHJ-QGZVFWFLSA-N 1 0 342.483 4.235 20 30 EIEDRO CCC1(CC)CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000615810614 1049784432 /nfs/dbraw/zinc/78/44/32/1049784432.db2.gz RFUCHEXQHMMJRZ-UHFFFAOYSA-N 1 0 338.455 4.401 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171816242 1049810705 /nfs/dbraw/zinc/81/07/05/1049810705.db2.gz HAXLSVRZEYXLMZ-WCXIOVBPSA-N 1 0 337.508 4.225 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001171848039 1049813752 /nfs/dbraw/zinc/81/37/52/1049813752.db2.gz WHVAJNNUYIUEKF-GFCCVEGCSA-N 1 0 328.334 4.402 20 30 EIEDRO CC[NH+](CC)Cc1ccc(Br)cc1NCCCS ZINC001171003092 1049816876 /nfs/dbraw/zinc/81/68/76/1049816876.db2.gz JFQOMRWGLWTBOT-UHFFFAOYSA-N 1 0 331.323 4.023 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001171920740 1049820238 /nfs/dbraw/zinc/82/02/38/1049820238.db2.gz MKOILVMKVKFQPH-KSZLIROESA-N 1 0 336.520 4.358 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(Cc2ccc(F)cc2)no1 ZINC001171920549 1049820351 /nfs/dbraw/zinc/82/03/51/1049820351.db2.gz IVOIVXYVYUQYGJ-DOTOQJQBSA-N 1 0 329.419 4.024 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(Cc2ccc(F)cc2)no1 ZINC001171920551 1049820572 /nfs/dbraw/zinc/82/05/72/1049820572.db2.gz IVOIVXYVYUQYGJ-RDJZCZTQSA-N 1 0 329.419 4.024 20 30 EIEDRO N#Cc1ccc(F)c(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000813858838 1049823999 /nfs/dbraw/zinc/82/39/99/1049823999.db2.gz CMEWEONWTHCUJZ-FOIQADDNSA-N 1 0 342.389 4.094 20 30 EIEDRO C#CC(CC)(CC)[NH2+]C1CCN(c2ccc(Br)cc2)CC1 ZINC001171991447 1049832547 /nfs/dbraw/zinc/83/25/47/1049832547.db2.gz XDOUMYIRPWHLOG-UHFFFAOYSA-N 1 0 349.316 4.200 20 30 EIEDRO C(#Cc1ccccc1)CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172077174 1049846588 /nfs/dbraw/zinc/84/65/88/1049846588.db2.gz PERDOVVELQULJH-BKFWDETESA-N 1 0 344.502 4.213 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC001172301985 1049872911 /nfs/dbraw/zinc/87/29/11/1049872911.db2.gz ZRSCGTFOPSOBOD-AWEZNQCLSA-N 1 0 332.369 4.340 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)cccc1C(F)(F)F ZINC001172302950 1049873924 /nfs/dbraw/zinc/87/39/24/1049873924.db2.gz UGEYFLSKKAMKFF-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccc(Cl)cn1)C1CC1 ZINC001172303920 1049873958 /nfs/dbraw/zinc/87/39/58/1049873958.db2.gz FYRPWMOWSMVPFZ-BFUOFWGJSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1cccnc1Cl)C1CC1 ZINC001172303911 1049874197 /nfs/dbraw/zinc/87/41/97/1049874197.db2.gz FVLUFMMBSKTBHG-FZKQIMNGSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1Br ZINC001172307882 1049874765 /nfs/dbraw/zinc/87/47/65/1049874765.db2.gz HHYOMOIWNAJXCQ-AWEZNQCLSA-N 1 0 343.268 4.384 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CC2(CC(OCc3ccccc3)C2)C1 ZINC001172309633 1049874806 /nfs/dbraw/zinc/87/48/06/1049874806.db2.gz AUEZCBPSFQWXNC-SFHVURJKSA-N 1 0 346.474 4.170 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC(=O)c3ccccc32)CC1 ZINC001172313290 1049875545 /nfs/dbraw/zinc/87/55/45/1049875545.db2.gz UCDHCSYFPVPEMQ-KRWDZBQOSA-N 1 0 344.458 4.109 20 30 EIEDRO COc1ccccc1CC1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172314006 1049875744 /nfs/dbraw/zinc/87/57/44/1049875744.db2.gz HPSOPUROUNBIDZ-SFHVURJKSA-N 1 0 348.490 4.453 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1c2ccc(F)cc2c2c1C[NH2+]CC2 ZINC001172312218 1049875802 /nfs/dbraw/zinc/87/58/02/1049875802.db2.gz FURVFVZVLZBBHX-AWEZNQCLSA-N 1 0 333.410 4.101 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001172313959 1049875958 /nfs/dbraw/zinc/87/59/58/1049875958.db2.gz DMKSYRARRHJQRA-KRWDZBQOSA-N 1 0 347.437 4.186 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CO)c1ccc(Cl)cc1Cl ZINC001172293103 1049881889 /nfs/dbraw/zinc/88/18/89/1049881889.db2.gz BFGXDGGCUXCQHT-XIKOKIGWSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000823949840 1049885840 /nfs/dbraw/zinc/88/58/40/1049885840.db2.gz WNQSOGGRAOHTJE-IVIXCJBKSA-N 1 0 341.282 4.477 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001172350425 1049892459 /nfs/dbraw/zinc/89/24/59/1049892459.db2.gz NJPSDBFSFGVSGG-RTBURBONSA-N 1 0 331.504 4.025 20 30 EIEDRO CC(C)COc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001212283267 1049893143 /nfs/dbraw/zinc/89/31/43/1049893143.db2.gz DDDMWBVVPUHKJI-UHFFFAOYSA-N 1 0 341.480 4.386 20 30 EIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC001172360071 1049895605 /nfs/dbraw/zinc/89/56/05/1049895605.db2.gz JAVDRGSKVDORFJ-FQEVSTJZSA-N 1 0 345.531 4.415 20 30 EIEDRO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H](CCC)CCCCCC ZINC001172387556 1049904034 /nfs/dbraw/zinc/90/40/34/1049904034.db2.gz LSFHLAXTFKZKES-HKUYNNGSSA-N 1 0 348.535 4.056 20 30 EIEDRO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@@H](CCC)CCCCCC ZINC001172387559 1049904958 /nfs/dbraw/zinc/90/49/58/1049904958.db2.gz LSFHLAXTFKZKES-PKOBYXMFSA-N 1 0 348.535 4.056 20 30 EIEDRO CC[C@@H](CC(C)C)[NH+]1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001172399767 1049907901 /nfs/dbraw/zinc/90/79/01/1049907901.db2.gz CVALATPMIOQMJN-KRWDZBQOSA-N 1 0 330.472 4.235 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001172487432 1049911732 /nfs/dbraw/zinc/91/17/32/1049911732.db2.gz BBFGPBAFGKPAFW-OAHLLOKOSA-N 1 0 343.471 4.156 20 30 EIEDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000616763586 1049919151 /nfs/dbraw/zinc/91/91/51/1049919151.db2.gz FLFZTLXLBRRSKF-MRXNPFEDSA-N 1 0 349.453 4.113 20 30 EIEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000616763585 1049919465 /nfs/dbraw/zinc/91/94/65/1049919465.db2.gz FLFZTLXLBRRSKF-INIZCTEOSA-N 1 0 349.453 4.113 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CSc2ccc(Br)cc2C1 ZINC001172490815 1049920737 /nfs/dbraw/zinc/92/07/37/1049920737.db2.gz LDHLUUNQEOHYHX-RISCZKNCSA-N 1 0 339.302 4.138 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC001172489456 1049920966 /nfs/dbraw/zinc/92/09/66/1049920966.db2.gz SGNAVFDCDQFYQI-CQSZACIVSA-N 1 0 337.870 4.115 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001172496215 1049921417 /nfs/dbraw/zinc/92/14/17/1049921417.db2.gz KVWJJZLOUWANDZ-XLIONFOSSA-N 1 0 349.519 4.324 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC001172501399 1049923048 /nfs/dbraw/zinc/92/30/48/1049923048.db2.gz HGUBZHROOCBBOG-QZTJIDSGSA-N 1 0 327.509 4.073 20 30 EIEDRO CCCCCCCC[C@@H](CC)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001172503774 1049924675 /nfs/dbraw/zinc/92/46/75/1049924675.db2.gz ASJCFAMLVIFXFR-VQTJNVASSA-N 1 0 348.579 4.406 20 30 EIEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172549109 1049947696 /nfs/dbraw/zinc/94/76/96/1049947696.db2.gz MPLDTCQEMWZCDN-AABGKKOBSA-N 1 0 342.483 4.089 20 30 EIEDRO CC1(C)CC(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)CC(C)(C)O1 ZINC001172644241 1049955325 /nfs/dbraw/zinc/95/53/25/1049955325.db2.gz KQZLDVWNJVMDJR-UHFFFAOYSA-N 1 0 328.378 4.147 20 30 EIEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248860684 1050082398 /nfs/dbraw/zinc/08/23/98/1050082398.db2.gz PRAWUQFEQUPGFS-BNOWGMLFSA-N 1 0 339.252 4.191 20 30 EIEDRO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249029767 1050088283 /nfs/dbraw/zinc/08/82/83/1050088283.db2.gz BBLDTCZMEKFABW-HFSMHLIXSA-N 1 0 328.500 4.100 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000249370570 1050096696 /nfs/dbraw/zinc/09/66/96/1050096696.db2.gz WRHRVIHSEDAZJH-BZUAXINKSA-N 1 0 345.512 4.188 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000249370573 1050096897 /nfs/dbraw/zinc/09/68/97/1050096897.db2.gz WRHRVIHSEDAZJH-OAGGEKHMSA-N 1 0 345.512 4.188 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000249370567 1050097059 /nfs/dbraw/zinc/09/70/59/1050097059.db2.gz WRHRVIHSEDAZJH-ARFHVFGLSA-N 1 0 345.512 4.188 20 30 EIEDRO C[C@@H](CCc1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181387454 1050114211 /nfs/dbraw/zinc/11/42/11/1050114211.db2.gz PGVBOIPZEQRAHE-IBGZPJMESA-N 1 0 347.506 4.134 20 30 EIEDRO CCCCCCCc1ccc(-c2noc([C@@]34C[C@@H]3CC[NH2+]4)n2)cc1 ZINC001212343027 1050144413 /nfs/dbraw/zinc/14/44/13/1050144413.db2.gz GEHOQHSWZBBLAY-FXAWDEMLSA-N 1 0 325.456 4.458 20 30 EIEDRO COC(=O)[C@H]1CCC[C@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001172793711 1050158066 /nfs/dbraw/zinc/15/80/66/1050158066.db2.gz BSYKNOXABCFPCO-WMZOPIPTSA-N 1 0 348.874 4.178 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cccc(C#N)c1 ZINC000181519154 1050171492 /nfs/dbraw/zinc/17/14/92/1050171492.db2.gz WWBOEBNDISPPOI-KRWDZBQOSA-N 1 0 334.467 4.040 20 30 EIEDRO C[C@@H](CSc1ccc(Cl)cc1)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001172883366 1050224573 /nfs/dbraw/zinc/22/45/73/1050224573.db2.gz RVXIENWPGATHTO-JTQLQIEISA-N 1 0 340.279 4.275 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)COCc1ccccc1 ZINC001177570932 1050255771 /nfs/dbraw/zinc/25/57/71/1050255771.db2.gz ONQYMAZNQLMWSE-GOSISDBHSA-N 1 0 336.479 4.430 20 30 EIEDRO Cc1c(Cl)cnc(NC(C)(C)CC[NH+]2CCCCCC2)c1C#N ZINC001186174578 1050263734 /nfs/dbraw/zinc/26/37/34/1050263734.db2.gz DUYBNKFYWLQZRI-UHFFFAOYSA-N 1 0 334.895 4.372 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC001177791353 1050299876 /nfs/dbraw/zinc/29/98/76/1050299876.db2.gz VVTYVWWHWMEUFK-MOPGFXCFSA-N 1 0 334.548 4.135 20 30 EIEDRO CC(C)(C)c1ccccc1OCC[NH2+]Cc1ccc(C#N)cc1F ZINC001177783562 1050300470 /nfs/dbraw/zinc/30/04/70/1050300470.db2.gz AAQFMIBIRAYKKG-UHFFFAOYSA-N 1 0 326.415 4.163 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cccc(OCc3ccccn3)c2)ccc1C#N ZINC000618191278 1050304377 /nfs/dbraw/zinc/30/43/77/1050304377.db2.gz BVKLSOHEQMCEAJ-UHFFFAOYSA-N 1 0 343.430 4.131 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC001177875777 1050309607 /nfs/dbraw/zinc/30/96/07/1050309607.db2.gz RJHLDGJGGWVFCI-QGZVFWFLSA-N 1 0 325.452 4.371 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2CCc3ccccc3CC2)c1 ZINC001177885896 1050320485 /nfs/dbraw/zinc/32/04/85/1050320485.db2.gz UQEXJDREYYLDLE-OAQYLSRUSA-N 1 0 334.463 4.405 20 30 EIEDRO CCCOC1CCC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001173099232 1050323309 /nfs/dbraw/zinc/32/33/09/1050323309.db2.gz COSNFNNBDDDSOT-UHFFFAOYSA-N 1 0 326.484 4.475 20 30 EIEDRO Cc1cccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000181757026 1050326401 /nfs/dbraw/zinc/32/64/01/1050326401.db2.gz VPTSDICQNFSGAD-LJQANCHMSA-N 1 0 347.506 4.490 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000618283292 1050328630 /nfs/dbraw/zinc/32/86/30/1050328630.db2.gz FZSDUFJBPIOOLM-QWRGUYRKSA-N 1 0 330.316 4.379 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1OC ZINC000069752709 1050328813 /nfs/dbraw/zinc/32/88/13/1050328813.db2.gz MFCSSZKUBILNEM-WMLDXEAASA-N 1 0 327.424 4.266 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)c1cccc(F)c1)c1ccc(OCC#N)cc1 ZINC000181772661 1050332629 /nfs/dbraw/zinc/33/26/29/1050332629.db2.gz HCXDVNBREPSTIZ-HNNXBMFYSA-N 1 0 326.415 4.356 20 30 EIEDRO Cc1cccc([C@@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181801253 1050335243 /nfs/dbraw/zinc/33/52/43/1050335243.db2.gz BWCMCHPPZVRHQZ-IBGZPJMESA-N 1 0 347.506 4.224 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181862771 1050352572 /nfs/dbraw/zinc/35/25/72/1050352572.db2.gz RMWRXKVJSNAFRO-INIZCTEOSA-N 1 0 335.451 4.018 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)c(C)c1)Oc1cccc(Cl)c1 ZINC001177981631 1050360849 /nfs/dbraw/zinc/36/08/49/1050360849.db2.gz OOQCOSPDSAUYEH-SFHVURJKSA-N 1 0 328.843 4.467 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc(C#N)cc1 ZINC000181954459 1050394510 /nfs/dbraw/zinc/39/45/10/1050394510.db2.gz IZDYDIHHYXIGFM-MRXNPFEDSA-N 1 0 331.419 4.226 20 30 EIEDRO Cc1scc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1C ZINC001178184861 1050397410 /nfs/dbraw/zinc/39/74/10/1050397410.db2.gz WVSDVSNYPBRYRT-UHFFFAOYSA-N 1 0 341.480 4.111 20 30 EIEDRO CCc1ccc(C[C@H](C)n2cc(CC[NH3+])c3cc(C#N)ccc32)cc1 ZINC001173243068 1050397417 /nfs/dbraw/zinc/39/74/17/1050397417.db2.gz ZBIHKMJOYZDZDE-INIZCTEOSA-N 1 0 331.463 4.380 20 30 EIEDRO CCCCCCCC[C@@H](CCC)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001173310548 1050402868 /nfs/dbraw/zinc/40/28/68/1050402868.db2.gz WSUVNYCQZNJGPR-GOSISDBHSA-N 1 0 331.504 4.410 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(n3cnc4ccccc43)CC2)CC1 ZINC001173323299 1050416094 /nfs/dbraw/zinc/41/60/94/1050416094.db2.gz CTXFKHVVQLVBOM-UHFFFAOYSA-N 1 0 339.483 4.187 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000618568445 1050416888 /nfs/dbraw/zinc/41/68/88/1050416888.db2.gz UAJZEDZFTXQSQB-RZQQEMMASA-N 1 0 348.450 4.067 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCC[C@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001173325324 1050417936 /nfs/dbraw/zinc/41/79/36/1050417936.db2.gz JDFVSYXHCLVARJ-MHJFOBGBSA-N 1 0 343.467 4.124 20 30 EIEDRO C[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)Nc1ccc2ccccc2c1 ZINC001173329538 1050419541 /nfs/dbraw/zinc/41/95/41/1050419541.db2.gz GBOOSUIFUZRRGB-LYGPFTKASA-N 1 0 335.451 4.229 20 30 EIEDRO N#CCC1CCC([NH2+][C@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001173329546 1050420004 /nfs/dbraw/zinc/42/00/04/1050420004.db2.gz GDSNSQQVCCNJTD-QJLPXFQTSA-N 1 0 327.255 4.089 20 30 EIEDRO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173332282 1050422121 /nfs/dbraw/zinc/42/21/21/1050422121.db2.gz YRVMTWBZKMPAQP-RZZCCWGQSA-N 1 0 349.519 4.084 20 30 EIEDRO N#CCC1CCC([NH2+]C2(Cc3ccc(Cl)cc3)CCOCC2)CC1 ZINC001173331737 1050422660 /nfs/dbraw/zinc/42/26/60/1050422660.db2.gz FDNCXSZRQYZOPH-UHFFFAOYSA-N 1 0 346.902 4.494 20 30 EIEDRO N#CCC1CCC(n2c3ccc(F)cc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001173333280 1050423154 /nfs/dbraw/zinc/42/31/54/1050423154.db2.gz GDUCIFRQRRMAIN-SIWZUTFBSA-N 1 0 325.431 4.241 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)ccc1C#N ZINC000618591495 1050423415 /nfs/dbraw/zinc/42/34/15/1050423415.db2.gz KYSLJASBJVTRMH-SFHVURJKSA-N 1 0 331.419 4.388 20 30 EIEDRO N#CCC1CCC([NH+]2CCN([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001173336801 1050425336 /nfs/dbraw/zinc/42/53/36/1050425336.db2.gz MJFMNUUYPMSLMJ-ZOGYUUGASA-N 1 0 337.511 4.154 20 30 EIEDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173336789 1050425574 /nfs/dbraw/zinc/42/55/74/1050425574.db2.gz LRJXOUVNKADQPY-CKHPTIKVSA-N 1 0 325.500 4.055 20 30 EIEDRO N#CCC1CCC([N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001173336847 1050425617 /nfs/dbraw/zinc/42/56/17/1050425617.db2.gz OLBKVYFCIUFFSL-VTLFHKLASA-N 1 0 337.511 4.199 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1C1CCC(CC#N)CC1 ZINC001173337095 1050425661 /nfs/dbraw/zinc/42/56/61/1050425661.db2.gz ZCVDHUMILBGMKC-MYZTUTKLSA-N 1 0 346.515 4.434 20 30 EIEDRO Cc1cc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)ccc1C#N ZINC000618593935 1050428590 /nfs/dbraw/zinc/42/85/90/1050428590.db2.gz ZAAHPHXOKMGIRF-FCHUYYIVSA-N 1 0 334.463 4.466 20 30 EIEDRO Cc1cc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)ccc1C#N ZINC000618601913 1050434590 /nfs/dbraw/zinc/43/45/90/1050434590.db2.gz MDSVCCSJLOOZLH-UHFFFAOYSA-N 1 0 338.426 4.187 20 30 EIEDRO C=CCOC1CCC([NH2+]CC2(CCOC)CCC(F)(F)CC2)CC1 ZINC001173317124 1050439002 /nfs/dbraw/zinc/43/90/02/1050439002.db2.gz BGAGFJDZBUNXSC-UHFFFAOYSA-N 1 0 345.474 4.322 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001173314228 1050439415 /nfs/dbraw/zinc/43/94/15/1050439415.db2.gz MPTHPGILDNEEOT-OFLPRAFFSA-N 1 0 344.282 4.130 20 30 EIEDRO C[N@H+](CCc1cccc(NCc2ccc(C3(C#N)CC3)cc2)c1)C1CC1 ZINC001178346413 1050441325 /nfs/dbraw/zinc/44/13/25/1050441325.db2.gz HITYALYKZDVIKG-UHFFFAOYSA-N 1 0 345.490 4.491 20 30 EIEDRO C=CCOC1CCC([NH2+]C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001173317280 1050441591 /nfs/dbraw/zinc/44/15/91/1050441591.db2.gz FEEICPRMTQNLIX-UHFFFAOYSA-N 1 0 349.902 4.449 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)CC1 ZINC001173320101 1050441750 /nfs/dbraw/zinc/44/17/50/1050441750.db2.gz HQRUAONYXWVOFN-GZNCHQMQSA-N 1 0 329.484 4.352 20 30 EIEDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)n(-c2ccccc2)n1 ZINC000182046493 1050444658 /nfs/dbraw/zinc/44/46/58/1050444658.db2.gz WWEAINOGGATHJP-SJLPKXTDSA-N 1 0 344.462 4.334 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC001178374574 1050448915 /nfs/dbraw/zinc/44/89/15/1050448915.db2.gz STBDXCFWPLEVBQ-QGZVFWFLSA-N 1 0 336.479 4.465 20 30 EIEDRO C=CCSc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618665854 1050460091 /nfs/dbraw/zinc/46/00/91/1050460091.db2.gz QGQSCWALOFAARI-MRXNPFEDSA-N 1 0 344.524 4.102 20 30 EIEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc(OCC#N)cc1 ZINC000182089182 1050471151 /nfs/dbraw/zinc/47/11/51/1050471151.db2.gz HGMHETUHUWMPTF-AWEZNQCLSA-N 1 0 342.389 4.250 20 30 EIEDRO C=C(C)C(=O)OCC[NH2+][C@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173539025 1050475125 /nfs/dbraw/zinc/47/51/25/1050475125.db2.gz KKESKPSWFDHGMV-GFCCVEGCSA-N 1 0 330.255 4.023 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173586121 1050492130 /nfs/dbraw/zinc/49/21/30/1050492130.db2.gz IHVYOGRCUKUKRV-ZRZPHAQCSA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586506 1050492888 /nfs/dbraw/zinc/49/28/88/1050492888.db2.gz ACFVRBPERPTMQY-YJBCQJRQSA-N 1 0 349.519 4.084 20 30 EIEDRO COc1cccc([C@H]2CSCC[N@@H+]2C2CCC(C)(C#N)CC2)c1 ZINC001173597265 1050499200 /nfs/dbraw/zinc/49/92/00/1050499200.db2.gz NTGWHOKVNXWUQX-CUYAVPTFSA-N 1 0 330.497 4.258 20 30 EIEDRO COC(=O)c1cccc([C@H]2CCC[N@@H+]2C2CCC(C)(C#N)CC2)c1 ZINC001173597503 1050499360 /nfs/dbraw/zinc/49/93/60/1050499360.db2.gz WHFFUOCYSYQCDB-QPIRBTGLSA-N 1 0 326.440 4.083 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC(C(=O)c3ccccc3F)CC2)CC1 ZINC001173597478 1050500116 /nfs/dbraw/zinc/50/01/16/1050500116.db2.gz VEVDVMUOXBMVHC-UHFFFAOYSA-N 1 0 328.431 4.193 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(F)ccc1N(C)C[C@H](C)CC ZINC001178584665 1050500774 /nfs/dbraw/zinc/50/07/74/1050500774.db2.gz NLJKGMPYYMAEGF-WWMYMODYSA-N 1 0 348.506 4.379 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000618741192 1050501161 /nfs/dbraw/zinc/50/11/61/1050501161.db2.gz BNAJSCRKODIIOG-FQEVSTJZSA-N 1 0 348.837 4.174 20 30 EIEDRO C[N@H+](C1CCC(C)(C#N)CC1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001173600930 1050502214 /nfs/dbraw/zinc/50/22/14/1050502214.db2.gz MKKKWDRRDWUJMK-RXCRORICSA-N 1 0 349.519 4.227 20 30 EIEDRO C[NH+](C)Cc1ccc(C(=O)Nc2sc3ccccc3c2C#N)cc1 ZINC001187278112 1050513188 /nfs/dbraw/zinc/51/31/88/1050513188.db2.gz SPQOPWRCXTWWFL-UHFFFAOYSA-N 1 0 335.432 4.087 20 30 EIEDRO CCOC(=O)C[C@H]1CC[C@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001173658920 1050520664 /nfs/dbraw/zinc/52/06/64/1050520664.db2.gz SLCMITGOWQSIPY-WMZOPIPTSA-N 1 0 348.874 4.178 20 30 EIEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618802348 1050522893 /nfs/dbraw/zinc/52/28/93/1050522893.db2.gz DJEBMWQTYPUKMA-YCRPNKLZSA-N 1 0 347.462 4.115 20 30 EIEDRO [NH2+]=C(NC1CCC2(CCc3ccccc32)CC1)c1ccc(Cl)cn1 ZINC001173687298 1050541572 /nfs/dbraw/zinc/54/15/72/1050541572.db2.gz KLIKPYDCJLASIG-UHFFFAOYSA-N 1 0 339.870 4.267 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC001178852777 1050571523 /nfs/dbraw/zinc/57/15/23/1050571523.db2.gz YJBKFUGJZXUIDQ-SLYNCCJLSA-N 1 0 330.516 4.411 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH+]3CCC(CC#N)CC3)CC2)cc1 ZINC001173789528 1050571825 /nfs/dbraw/zinc/57/18/25/1050571825.db2.gz JYXSSXHQHFCOHK-UHFFFAOYSA-N 1 0 340.467 4.264 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)nc1 ZINC001178939756 1050591708 /nfs/dbraw/zinc/59/17/08/1050591708.db2.gz RQIQAOJWNIKUNM-MRXNPFEDSA-N 1 0 331.257 4.121 20 30 EIEDRO COc1ccc(C(C)C)cc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001173918135 1050626361 /nfs/dbraw/zinc/62/63/61/1050626361.db2.gz QPYBKALXGHMOPN-UHFFFAOYSA-N 1 0 341.480 4.483 20 30 EIEDRO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1Cl ZINC001179193633 1050653674 /nfs/dbraw/zinc/65/36/74/1050653674.db2.gz JOUXQKJPPBQZDW-QGZVFWFLSA-N 1 0 348.918 4.401 20 30 EIEDRO CSc1ccc(C[NH2+]Cc2cc(C)c3ncccc3c2)cc1C#N ZINC001203672248 1050657680 /nfs/dbraw/zinc/65/76/80/1050657680.db2.gz DMKIRJRGKBDEBZ-UHFFFAOYSA-N 1 0 333.460 4.427 20 30 EIEDRO CC(C)c1ccc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)cc1 ZINC001179303875 1050666455 /nfs/dbraw/zinc/66/64/55/1050666455.db2.gz BYCOLHFETNXUKV-UHFFFAOYSA-N 1 0 333.479 4.440 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1OC ZINC001179562628 1050716303 /nfs/dbraw/zinc/71/63/03/1050716303.db2.gz JAHBBGKACVNNIG-NWDGAFQWSA-N 1 0 349.780 4.201 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)COCC2CCCCC2)cc1 ZINC001179636208 1050744603 /nfs/dbraw/zinc/74/46/03/1050744603.db2.gz BLUHNNWVKZKXSW-GOSISDBHSA-N 1 0 329.484 4.164 20 30 EIEDRO COc1ccc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC001179636349 1050745191 /nfs/dbraw/zinc/74/51/91/1050745191.db2.gz CLPJFZKHHNVIOX-UHFFFAOYSA-N 1 0 328.843 4.331 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(N(C)C)cc1F ZINC001179913856 1050833296 /nfs/dbraw/zinc/83/32/96/1050833296.db2.gz KZVBLHXLOCMALM-UHFFFAOYSA-N 1 0 343.421 4.313 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619755333 1050882940 /nfs/dbraw/zinc/88/29/40/1050882940.db2.gz XGTLACTUQNXJDF-CYBMUJFWSA-N 1 0 344.842 4.388 20 30 EIEDRO C#CC[N@@H+](C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CC1CC1 ZINC001180117586 1050889987 /nfs/dbraw/zinc/88/99/87/1050889987.db2.gz ZFYAFJBGNDPQGI-QGZVFWFLSA-N 1 0 336.520 4.051 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2csc(Br)c2)cc1Cl ZINC000619748440 1050894806 /nfs/dbraw/zinc/89/48/06/1050894806.db2.gz FCYHVGCXFRIXOL-UHFFFAOYSA-N 1 0 341.661 4.325 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1 ZINC000619748999 1050896527 /nfs/dbraw/zinc/89/65/27/1050896527.db2.gz VUBZYYHOPKTBQI-BEFAXECRSA-N 1 0 339.870 4.137 20 30 EIEDRO Cc1cc(Cl)c2ncc(C#N)c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000619791998 1050918436 /nfs/dbraw/zinc/91/84/36/1050918436.db2.gz NOOIKZHSGHROBS-LSDHHAIUSA-N 1 0 340.858 4.107 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)CC2)cc1 ZINC001203362744 1050993327 /nfs/dbraw/zinc/99/33/27/1050993327.db2.gz FUVORKUBJMASDT-OAQYLSRUSA-N 1 0 328.500 4.299 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H](C(=C)C)c2ccc(F)c(F)c2)cc1 ZINC000775319360 1051059148 /nfs/dbraw/zinc/05/91/48/1051059148.db2.gz SVUGUGSZLVCPHQ-HXUWFJFHSA-N 1 0 327.374 4.384 20 30 EIEDRO Cc1c(Cl)c(C#N)ccc1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174815009 1051183401 /nfs/dbraw/zinc/18/34/01/1051183401.db2.gz VAZNHROOBBGJEX-UHFFFAOYSA-N 1 0 340.858 4.016 20 30 EIEDRO C=CCN(CCOCC(F)(F)C(F)(F)F)Cc1ccccc1F ZINC001190484882 1051186929 /nfs/dbraw/zinc/18/69/29/1051186929.db2.gz DWSIPDOQHDVBGL-UHFFFAOYSA-N 1 0 341.295 4.028 20 30 EIEDRO C=CCSCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780729449 1051199593 /nfs/dbraw/zinc/19/95/93/1051199593.db2.gz XCCUVLVHPNNYNR-IAGOWNOFSA-N 1 0 348.512 4.206 20 30 EIEDRO C[NH+]1CCC(c2ccc(NC(=O)CC3(C#N)CCCCC3)cc2)CC1 ZINC001181362190 1051213341 /nfs/dbraw/zinc/21/33/41/1051213341.db2.gz BALHRDPXRIJOBK-UHFFFAOYSA-N 1 0 339.483 4.298 20 30 EIEDRO CCc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC001190615650 1051221514 /nfs/dbraw/zinc/22/15/14/1051221514.db2.gz GVIBROQHCFYNNL-UHFFFAOYSA-N 1 0 349.478 4.217 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)c1ccccc1 ZINC000775399484 1051224176 /nfs/dbraw/zinc/22/41/76/1051224176.db2.gz HTJZVQYBJSLKSK-NRFANRHFSA-N 1 0 348.490 4.168 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](C/C=C/c3ccc(Cl)cc3)CC2)nc1 ZINC001174872935 1051225983 /nfs/dbraw/zinc/22/59/83/1051225983.db2.gz LKMSSKJIXLUFCA-OWOJBTEDSA-N 1 0 337.854 4.499 20 30 EIEDRO N#Cc1c(F)cccc1CN(CCc1ccccc1)Cc1ccncc1 ZINC001181471409 1051234243 /nfs/dbraw/zinc/23/42/43/1051234243.db2.gz GCIWIOMDVOTUPZ-UHFFFAOYSA-N 1 0 345.421 4.337 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccccc1 ZINC000775402946 1051241282 /nfs/dbraw/zinc/24/12/82/1051241282.db2.gz DOCFTDCNMJRAPN-FQEVSTJZSA-N 1 0 331.415 4.264 20 30 EIEDRO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@H](O)CC1(C#N)CCC1 ZINC001190708502 1051250851 /nfs/dbraw/zinc/25/08/51/1051250851.db2.gz UDWOILJOEABHKU-HXUWFJFHSA-N 1 0 334.463 4.230 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000775404476 1051258278 /nfs/dbraw/zinc/25/82/78/1051258278.db2.gz OOULNZQQDDSMJH-QGZVFWFLSA-N 1 0 347.245 4.286 20 30 EIEDRO Cc1scc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1C ZINC001181612641 1051266229 /nfs/dbraw/zinc/26/62/29/1051266229.db2.gz WXKNYVZSCUKWLR-UHFFFAOYSA-N 1 0 344.455 4.419 20 30 EIEDRO C=C(C)C[N@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC001190819044 1051283555 /nfs/dbraw/zinc/28/35/55/1051283555.db2.gz RMHBTVITVIPQPU-UHFFFAOYSA-N 1 0 345.870 4.289 20 30 EIEDRO CCCCC[N@H+](C)CCC(=O)N(CCC#N)Cc1ccc(Cl)cc1 ZINC001181865341 1051331841 /nfs/dbraw/zinc/33/18/41/1051331841.db2.gz BDAZJCPULIMASA-UHFFFAOYSA-N 1 0 349.906 4.094 20 30 EIEDRO CCCCCCCCNC(=O)NC1CCC([NH+](CC)CC)CC1 ZINC001191076315 1051343541 /nfs/dbraw/zinc/34/35/41/1051343541.db2.gz FBCISXCDHRCHMH-UHFFFAOYSA-N 1 0 325.541 4.299 20 30 EIEDRO CCCCCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001191121625 1051357017 /nfs/dbraw/zinc/35/70/17/1051357017.db2.gz FMLWYDCNDLOJHB-UYAOXDASSA-N 1 0 345.531 4.167 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000155654543 1051441627 /nfs/dbraw/zinc/44/16/27/1051441627.db2.gz LHMDLDGWQXSWQI-ROUUACIJSA-N 1 0 343.515 4.338 20 30 EIEDRO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC001191454394 1051448567 /nfs/dbraw/zinc/44/85/67/1051448567.db2.gz NURTVQYOAXCMPG-NQIIRXRSSA-N 1 0 347.462 4.012 20 30 EIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2nc3ccccc3n2C2CC2)c1 ZINC000183836533 1051523194 /nfs/dbraw/zinc/52/31/94/1051523194.db2.gz MORCBTGRGUGMMT-UHFFFAOYSA-N 1 0 347.466 4.421 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CC2CCC(O)CC2)C(C)(C)C)cc1 ZINC001192052733 1051624985 /nfs/dbraw/zinc/62/49/85/1051624985.db2.gz IRUAPVSDQARDGS-UHFFFAOYSA-N 1 0 331.500 4.403 20 30 EIEDRO C=CCOCC[N@H+](Cc1ccccc1Br)C(C)(C)C ZINC001192053004 1051626313 /nfs/dbraw/zinc/62/63/13/1051626313.db2.gz UDSRWBYTWMIPPO-UHFFFAOYSA-N 1 0 326.278 4.252 20 30 EIEDRO CCCOc1cccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001175598233 1051663127 /nfs/dbraw/zinc/66/31/27/1051663127.db2.gz DOBMJVCRZGGKOG-UHFFFAOYSA-N 1 0 327.453 4.140 20 30 EIEDRO COc1cc(C[N@H+](C)[C@@H](C)CSc2ccccc2)ccc1C#N ZINC001182752672 1051683099 /nfs/dbraw/zinc/68/30/99/1051683099.db2.gz CAWSRXQFGZBDPC-HNNXBMFYSA-N 1 0 326.465 4.179 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O ZINC001182843546 1051714350 /nfs/dbraw/zinc/71/43/50/1051714350.db2.gz DQEPJUIZWGALIS-YQVWRLOYSA-N 1 0 344.499 4.058 20 30 EIEDRO C=CCCC1(C[NH2+]Cc2ccc(O[C@@H](C)C(=O)OC)cc2)CCCC1 ZINC001182865194 1051724907 /nfs/dbraw/zinc/72/49/07/1051724907.db2.gz UCLOGWKJOHRUQS-KRWDZBQOSA-N 1 0 345.483 4.243 20 30 EIEDRO C[NH+]1CCC(COc2ccccc2Nc2cc(F)cc(C#N)c2)CC1 ZINC001175689556 1051728829 /nfs/dbraw/zinc/72/88/29/1051728829.db2.gz NRGPLWCVANYIED-UHFFFAOYSA-N 1 0 339.414 4.162 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1ccccc1-c1ccc(C)cc1C)C1CCOCC1 ZINC001182991942 1051757976 /nfs/dbraw/zinc/75/79/76/1051757976.db2.gz YJKOHZPPFOZQCW-HSZRJFAPSA-N 1 0 333.475 4.488 20 30 EIEDRO CC(C)CC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC001192604174 1051776453 /nfs/dbraw/zinc/77/64/53/1051776453.db2.gz KMEZTDBHYVVGSG-SFHVURJKSA-N 1 0 329.488 4.327 20 30 EIEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC001192681058 1051790719 /nfs/dbraw/zinc/79/07/19/1051790719.db2.gz CXENOPBLYUYYGQ-GOSISDBHSA-N 1 0 341.838 4.204 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC001183196995 1051803841 /nfs/dbraw/zinc/80/38/41/1051803841.db2.gz MJQVIHBZNRQGHX-UHFFFAOYSA-N 1 0 339.870 4.013 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(-c4cccnc4)cc3)sc2C1 ZINC001175888570 1051815600 /nfs/dbraw/zinc/81/56/00/1051815600.db2.gz PIMISEUOSMFTOL-UHFFFAOYSA-N 1 0 346.459 4.413 20 30 EIEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC001192919710 1051833107 /nfs/dbraw/zinc/83/31/07/1051833107.db2.gz YXHCVZSSBBFVQM-OAHLLOKOSA-N 1 0 341.236 4.394 20 30 EIEDRO CC[C@H]1CCCC[C@@H]1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001183378858 1051839675 /nfs/dbraw/zinc/83/96/75/1051839675.db2.gz GUVGWUAZTQKXQY-DLBZAZTESA-N 1 0 329.463 4.036 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001192937557 1051840024 /nfs/dbraw/zinc/84/00/24/1051840024.db2.gz GBXVCXPXMWJBRF-SFHVURJKSA-N 1 0 337.552 4.395 20 30 EIEDRO C=CCCCC[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC001192939561 1051841559 /nfs/dbraw/zinc/84/15/59/1051841559.db2.gz ODLQUXPLJPCERU-UHFFFAOYSA-N 1 0 335.879 4.154 20 30 EIEDRO CC(C)(C)[PH+](CCCNC(=O)c1cnccc1C#N)C(C)(C)C ZINC001192981257 1051842112 /nfs/dbraw/zinc/84/21/12/1051842112.db2.gz HRWDJSRFLVAWPU-UHFFFAOYSA-N 1 0 333.416 4.152 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000774640959 1051854110 /nfs/dbraw/zinc/85/41/10/1051854110.db2.gz XRWUGEVVKBROOV-XUVXKRRUSA-N 1 0 340.854 4.145 20 30 EIEDRO C=CCCC[C@H]([NH2+]C1CCC(CNC(C)=O)CC1)c1ccccc1 ZINC001183550235 1051862544 /nfs/dbraw/zinc/86/25/44/1051862544.db2.gz ITTZFXBWQNHGDO-MNLRITNHSA-N 1 0 328.500 4.369 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H]1C1CC1 ZINC001176000206 1051869220 /nfs/dbraw/zinc/86/92/20/1051869220.db2.gz UFYHVRFULCDYLT-DLBZAZTESA-N 1 0 334.504 4.006 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001183597771 1051873173 /nfs/dbraw/zinc/87/31/73/1051873173.db2.gz SLXLBXOMXRAGBV-QZTJIDSGSA-N 1 0 343.515 4.338 20 30 EIEDRO N#Cc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1F ZINC000774660270 1051879573 /nfs/dbraw/zinc/87/95/73/1051879573.db2.gz RBKASYCLYHISDJ-QZTJIDSGSA-N 1 0 342.414 4.159 20 30 EIEDRO C[C@@H]([NH2+]Cc1cncc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC001193224819 1051887149 /nfs/dbraw/zinc/88/71/49/1051887149.db2.gz OTOQTRKJMJTXBR-QGZVFWFLSA-N 1 0 327.431 4.263 20 30 EIEDRO N#Cc1cccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC001193239962 1051890681 /nfs/dbraw/zinc/89/06/81/1051890681.db2.gz RNSOWZJMKPVOSF-WOJBJXKFSA-N 1 0 348.471 4.227 20 30 EIEDRO C=C1CCC(C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)CC1 ZINC001183740413 1051892449 /nfs/dbraw/zinc/89/24/49/1051892449.db2.gz NXUOEARZHSVPAC-PMPSAXMXSA-N 1 0 347.421 4.233 20 30 EIEDRO CSc1ccc(C[NH2+][C@@H](C)[C@H]2COc3ccccc3C2)cc1C#N ZINC001183798297 1051899094 /nfs/dbraw/zinc/89/90/94/1051899094.db2.gz BYUYBNIRIXSNDM-KBXCAEBGSA-N 1 0 338.476 4.010 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001183823241 1051908991 /nfs/dbraw/zinc/90/89/91/1051908991.db2.gz QUKMRDCEVULPFU-PXNSSMCTSA-N 1 0 349.519 4.039 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001183823240 1051909336 /nfs/dbraw/zinc/90/93/36/1051909336.db2.gz QUKMRDCEVULPFU-FXAWDEMLSA-N 1 0 349.519 4.039 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001193385355 1051914333 /nfs/dbraw/zinc/91/43/33/1051914333.db2.gz UMJAHUONTDPVOH-QWHCGFSZSA-N 1 0 332.271 4.020 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001176112949 1051915044 /nfs/dbraw/zinc/91/50/44/1051915044.db2.gz FLDWWKLRPXKQEB-UHFFFAOYSA-N 1 0 334.467 4.116 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621764558 1051939855 /nfs/dbraw/zinc/93/98/55/1051939855.db2.gz IHMKRKVYHNMYIC-FPOVZHCZSA-N 1 0 334.463 4.261 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCOCCOc1ccccc1)c1ccc(F)c(F)c1 ZINC001193574409 1051948641 /nfs/dbraw/zinc/94/86/41/1051948641.db2.gz FXINFGIBULENKZ-HXUWFJFHSA-N 1 0 347.405 4.267 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2ccc(C#N)c(Cl)c2F)cc1 ZINC001176228555 1051964611 /nfs/dbraw/zinc/96/46/11/1051964611.db2.gz PMYCSSRWASBISW-UHFFFAOYSA-N 1 0 333.794 4.035 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)cc1 ZINC001193648005 1051965827 /nfs/dbraw/zinc/96/58/27/1051965827.db2.gz CBPGVEJLTNWBCQ-HLNWXESRSA-N 1 0 341.499 4.045 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)cc1 ZINC001193648002 1051965894 /nfs/dbraw/zinc/96/58/94/1051965894.db2.gz CBPGVEJLTNWBCQ-FTEYMNFISA-N 1 0 341.499 4.045 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2cc(C#N)ccc2Br)cc1 ZINC001176295277 1051981121 /nfs/dbraw/zinc/98/11/21/1051981121.db2.gz IDJVPSPDZCRXOF-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2nc(CC)c(C)s2)CCCC1(C)C ZINC001193919924 1052029080 /nfs/dbraw/zinc/02/90/80/1052029080.db2.gz HCMSJFDUEXANCN-HNNXBMFYSA-N 1 0 335.517 4.019 20 30 EIEDRO C=CC[C@H]1[N@@H+](CC(=O)NCc2ccc(Cl)cc2)CCCC1(C)C ZINC001193921469 1052029880 /nfs/dbraw/zinc/02/98/80/1052029880.db2.gz XNCPYDFKTFZHRZ-QGZVFWFLSA-N 1 0 334.891 4.023 20 30 EIEDRO C=CCCCC[N@@H+]1CCC12CCN(C(=O)OCc1ccccc1)CC2 ZINC001176353535 1052035958 /nfs/dbraw/zinc/03/59/58/1052035958.db2.gz BRTFXTHWXZTAIR-UHFFFAOYSA-N 1 0 342.483 4.220 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1cc(F)ccc1C#N)c1cccc(OC)c1 ZINC001184681684 1052089585 /nfs/dbraw/zinc/08/95/85/1052089585.db2.gz STSJSSDOQPKZIH-FQEVSTJZSA-N 1 0 341.430 4.201 20 30 EIEDRO C=CCCCCC[N@H+]1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001194152540 1052089950 /nfs/dbraw/zinc/08/99/50/1052089950.db2.gz COYLWMWVHJCPBS-IBGZPJMESA-N 1 0 336.520 4.456 20 30 EIEDRO N#Cc1ccc(OCCC[N@@H+]2Cc3ccccc3C3(CCC3)C2)cc1 ZINC001194232993 1052099819 /nfs/dbraw/zinc/09/98/19/1052099819.db2.gz ZMZGANZZMDFWJX-UHFFFAOYSA-N 1 0 332.447 4.265 20 30 EIEDRO C=C(CC)C[N@H+](CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001194299425 1052122747 /nfs/dbraw/zinc/12/27/47/1052122747.db2.gz GCWOLLZNNVLWFT-UHFFFAOYSA-N 1 0 332.488 4.022 20 30 EIEDRO C[C@@H](CNc1c(C#N)cnc2c(Cl)cccc21)C[NH+]1CCCCC1 ZINC001184966452 1052134064 /nfs/dbraw/zinc/13/40/64/1052134064.db2.gz XCKQGEGMKLAKAD-AWEZNQCLSA-N 1 0 342.874 4.294 20 30 EIEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC001176767240 1052192228 /nfs/dbraw/zinc/19/22/28/1052192228.db2.gz BJVPLSYXBCQQRA-OAHLLOKOSA-N 1 0 326.362 4.075 20 30 EIEDRO C=CCC[C@H]1CCC[N@H+]1CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176767289 1052192994 /nfs/dbraw/zinc/19/29/94/1052192994.db2.gz DLZXMSNDKLTVRW-SFHVURJKSA-N 1 0 336.520 4.454 20 30 EIEDRO CCC[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccnc1 ZINC000185169620 1052507239 /nfs/dbraw/zinc/50/72/39/1052507239.db2.gz WUGVXVUIWLUHAD-IBGZPJMESA-N 1 0 325.481 4.317 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000671247366 1052529959 /nfs/dbraw/zinc/52/99/59/1052529959.db2.gz SDBJTEHXGWGNPQ-LJQANCHMSA-N 1 0 327.493 4.045 20 30 EIEDRO N#CCCn1cc(C[NH2+]CCC2=CCCCC2)c(-c2ccccc2)n1 ZINC000072726519 1052580508 /nfs/dbraw/zinc/58/05/08/1052580508.db2.gz CYZWDTAHNIXYIV-UHFFFAOYSA-N 1 0 334.467 4.444 20 30 EIEDRO C#CC[N@@H+](CCCC(=O)Nc1c(CC)ccc(Cl)c1CC)C1CC1 ZINC000763950373 1052656991 /nfs/dbraw/zinc/65/69/91/1052656991.db2.gz UMSMHVUTVCYXJX-UHFFFAOYSA-N 1 0 346.902 4.281 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC[C@]2(C)CC2(F)F)cc1OC ZINC000623570316 1052682296 /nfs/dbraw/zinc/68/22/96/1052682296.db2.gz OTWBNENXBIHSOV-MRXNPFEDSA-N 1 0 345.817 4.438 20 30 EIEDRO N#CCSCCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000180001811 1052772650 /nfs/dbraw/zinc/77/26/50/1052772650.db2.gz FGRKBQVWDNPQRE-UHFFFAOYSA-N 1 0 328.403 4.321 20 30 EIEDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623875285 1052827465 /nfs/dbraw/zinc/82/74/65/1052827465.db2.gz BZLPLAKQUGEHFY-QMMMGPOBSA-N 1 0 333.247 4.074 20 30 EIEDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623875284 1052827771 /nfs/dbraw/zinc/82/77/71/1052827771.db2.gz BZLPLAKQUGEHFY-MRVPVSSYSA-N 1 0 333.247 4.074 20 30 EIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000193089413 1053022614 /nfs/dbraw/zinc/02/26/14/1053022614.db2.gz URGWCVGVWMMQHL-DYESRHJHSA-N 1 0 347.462 4.063 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001194683535 1053071192 /nfs/dbraw/zinc/07/11/92/1053071192.db2.gz ORUQLODIQNHJDQ-SPYBWZPUSA-N 1 0 335.407 4.233 20 30 EIEDRO CCOc1ccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)c(C)c1 ZINC000850137147 1053077893 /nfs/dbraw/zinc/07/78/93/1053077893.db2.gz KGYJLELHRBKWFV-LJQANCHMSA-N 1 0 338.451 4.365 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc3ccncc3s2)c1 ZINC000850137812 1053077984 /nfs/dbraw/zinc/07/79/84/1053077984.db2.gz XACHFBIFNFQBNV-INIZCTEOSA-N 1 0 337.448 4.267 20 30 EIEDRO COc1cccc2[nH]cc(CC[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c21 ZINC000850239893 1053095020 /nfs/dbraw/zinc/09/50/20/1053095020.db2.gz SXMKTQRSBCCIHU-UHFFFAOYSA-N 1 0 345.446 4.064 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)o1 ZINC001203297538 1053102838 /nfs/dbraw/zinc/10/28/38/1053102838.db2.gz JGGOKGQPGDQAIP-UHFFFAOYSA-N 1 0 330.815 4.157 20 30 EIEDRO CCC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000850282084 1053105790 /nfs/dbraw/zinc/10/57/90/1053105790.db2.gz RTTPCNYLWLAMLM-RTWAWAEBSA-N 1 0 334.463 4.234 20 30 EIEDRO CCCCCCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764466354 1053118139 /nfs/dbraw/zinc/11/81/39/1053118139.db2.gz JJGXYWBUKCXXLB-RTWAWAEBSA-N 1 0 337.596 4.085 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000119774214 1053125935 /nfs/dbraw/zinc/12/59/35/1053125935.db2.gz BJQOGOZMGCXYDT-AWEZNQCLSA-N 1 0 331.362 4.151 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+]C(C2CCCC2)C2CCCC2)c(C#N)c1C ZINC000775616443 1053139970 /nfs/dbraw/zinc/13/99/70/1053139970.db2.gz BHSBRJAGAAFBDG-UHFFFAOYSA-N 1 0 343.471 4.045 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1Cl ZINC000850372050 1053150236 /nfs/dbraw/zinc/15/02/36/1053150236.db2.gz OZIODWSBTLHBHL-ZWKOTPCHSA-N 1 0 329.827 4.173 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)cc1 ZINC000850387920 1053158041 /nfs/dbraw/zinc/15/80/41/1053158041.db2.gz CTTKPPATYZSOHC-AYOQOUSVSA-N 1 0 342.483 4.193 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000764558384 1053180679 /nfs/dbraw/zinc/18/06/79/1053180679.db2.gz FMUJUOXTHAMPQP-DNVCBOLYSA-N 1 0 331.843 4.202 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H](O)c1ccc(Cl)cc1 ZINC000850412165 1053182333 /nfs/dbraw/zinc/18/23/33/1053182333.db2.gz BCOMJHHFVQKYIO-IAGOWNOFSA-N 1 0 334.872 4.121 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc3cnccc3o2)c1 ZINC000850442156 1053216879 /nfs/dbraw/zinc/21/68/79/1053216879.db2.gz BPAFRSGIENKJKY-PBHICJAKSA-N 1 0 335.407 4.360 20 30 EIEDRO CC(C)C[C@@H]([NH2+]CCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000339066460 1053227121 /nfs/dbraw/zinc/22/71/21/1053227121.db2.gz CZGCAFRHEVCKFW-MRXNPFEDSA-N 1 0 328.378 4.312 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2c(F)cncc2F)c(O)c1 ZINC000794676981 1053261455 /nfs/dbraw/zinc/26/14/55/1053261455.db2.gz RMZVARVWEAPXHZ-AMLNBPPMSA-N 1 0 333.382 4.092 20 30 EIEDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001195251979 1053343876 /nfs/dbraw/zinc/34/38/76/1053343876.db2.gz ZFIUXQNAECAWQC-SJORKVTESA-N 1 0 334.504 4.150 20 30 EIEDRO CC(C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001195423737 1053410759 /nfs/dbraw/zinc/41/07/59/1053410759.db2.gz FOWAZPAWCQGTBR-QFIPXVFZSA-N 1 0 333.479 4.043 20 30 EIEDRO C=CCn1c(-c2ccccc2C)nn(CN2C[C@H](C)C[C@H]2C)c1=S ZINC000765025962 1053423344 /nfs/dbraw/zinc/42/33/44/1053423344.db2.gz AZUSMNQSIGVRII-GDBMZVCRSA-N 1 0 342.512 4.263 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)cc1 ZINC000765084713 1053433744 /nfs/dbraw/zinc/43/37/44/1053433744.db2.gz XLMJOZWXYMQUAR-GJZGRUSLSA-N 1 0 327.399 4.258 20 30 EIEDRO CCC[N@@H+]1CCc2c(N)sc(NC=Cc3ccc(C#N)cc3)c2C1 ZINC001203301820 1053438746 /nfs/dbraw/zinc/43/87/46/1053438746.db2.gz HWPJERORKMOEJB-VQHVLOKHSA-N 1 0 338.480 4.053 20 30 EIEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)c1ccccc1 ZINC000794828062 1053440263 /nfs/dbraw/zinc/44/02/63/1053440263.db2.gz BAJULBUJXDVEJM-UAOJZALGSA-N 1 0 326.415 4.250 20 30 EIEDRO CCC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H](O)c1ccccc1 ZINC000794829735 1053441163 /nfs/dbraw/zinc/44/11/63/1053441163.db2.gz FXDKFHFRTFOYAI-FKBYEOEOSA-N 1 0 334.463 4.428 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000615438837 1053456107 /nfs/dbraw/zinc/45/61/07/1053456107.db2.gz FVCWQPCUIJEDHW-MOPGFXCFSA-N 1 0 333.479 4.216 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000865406750 1053494289 /nfs/dbraw/zinc/49/42/89/1053494289.db2.gz GTBRAPNPUXSIHP-KRWDZBQOSA-N 1 0 341.455 4.090 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2COC(C)C)cc1 ZINC000765337355 1053510371 /nfs/dbraw/zinc/51/03/71/1053510371.db2.gz WWUPGEGLAXZGMI-SFHVURJKSA-N 1 0 337.463 4.474 20 30 EIEDRO C[N@H+](CCc1cccc(Cl)c1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877134 1053513786 /nfs/dbraw/zinc/51/37/86/1053513786.db2.gz RPJXUGNCQRKCNG-QGZVFWFLSA-N 1 0 349.261 4.073 20 30 EIEDRO N#Cc1ccc(CC[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000851808547 1053521092 /nfs/dbraw/zinc/52/10/92/1053521092.db2.gz IKCJUCOSWROACB-PMACEKPBSA-N 1 0 338.451 4.062 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC001195971016 1053535891 /nfs/dbraw/zinc/53/58/91/1053535891.db2.gz RJQAVGZCBZOGOQ-UHFFFAOYSA-N 1 0 342.483 4.201 20 30 EIEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000852098241 1053549421 /nfs/dbraw/zinc/54/94/21/1053549421.db2.gz IAPPFUUTVUYNQL-BONVTDFDSA-N 1 0 346.780 4.077 20 30 EIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000776580304 1053563390 /nfs/dbraw/zinc/56/33/90/1053563390.db2.gz SYZCTVZEWXASSC-MRXNPFEDSA-N 1 0 335.289 4.396 20 30 EIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000776580303 1053563502 /nfs/dbraw/zinc/56/35/02/1053563502.db2.gz SYZCTVZEWXASSC-INIZCTEOSA-N 1 0 335.289 4.396 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H](C2CC[NH+](CCCCC#N)CC2)C1 ZINC000852294461 1053566263 /nfs/dbraw/zinc/56/62/63/1053566263.db2.gz YLQGEOWXOCOIKQ-SFHVURJKSA-N 1 0 349.519 4.039 20 30 EIEDRO C=CC[C@H](C)[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001196048368 1053570861 /nfs/dbraw/zinc/57/08/61/1053570861.db2.gz SIDUMXPISJBOKU-FUHWJXTLSA-N 1 0 336.520 4.310 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCSCCC(F)(F)F)cc2)CC1 ZINC000865787624 1053594923 /nfs/dbraw/zinc/59/49/23/1053594923.db2.gz VPLKESGJOHYJGI-UHFFFAOYSA-N 1 0 328.403 4.017 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000865834183 1053603619 /nfs/dbraw/zinc/60/36/19/1053603619.db2.gz LNQMIPYXBSOZCF-ARFHVFGLSA-N 1 0 333.273 4.007 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000338953430 1053617799 /nfs/dbraw/zinc/61/77/99/1053617799.db2.gz UHEYCCCZHIKVKR-UHFFFAOYSA-N 1 0 331.419 4.207 20 30 EIEDRO CC[N@H+](Cc1cc(C#N)ccn1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001196314629 1053630083 /nfs/dbraw/zinc/63/00/83/1053630083.db2.gz WKOLWHXZZCWRMG-CQSZACIVSA-N 1 0 347.384 4.425 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc2c(c1)CCCO2 ZINC000853094297 1053643609 /nfs/dbraw/zinc/64/36/09/1053643609.db2.gz APTUSFYPQHEARQ-JKSUJKDBSA-N 1 0 336.435 4.153 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)CCCO2 ZINC000853094691 1053644401 /nfs/dbraw/zinc/64/44/01/1053644401.db2.gz KTPJGCJVYXEWJV-INIZCTEOSA-N 1 0 332.447 4.418 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001196535361 1053695691 /nfs/dbraw/zinc/69/56/91/1053695691.db2.gz KVDNGJTZOIGLTR-UTKZUKDTSA-N 1 0 341.499 4.030 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2noc3ccc(F)cc32)CC1 ZINC000866512141 1053760830 /nfs/dbraw/zinc/76/08/30/1053760830.db2.gz WASXCFAHDDZBBZ-UHFFFAOYSA-N 1 0 349.409 4.461 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000866535890 1053773575 /nfs/dbraw/zinc/77/35/75/1053773575.db2.gz YURXGIZQPLDTLW-JLJPHGGASA-N 1 0 338.373 4.384 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866581308 1053795351 /nfs/dbraw/zinc/79/53/51/1053795351.db2.gz FUCIYAXBEUYUAJ-CQSZACIVSA-N 1 0 336.439 4.149 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1noc2cc(F)ccc21 ZINC000866613103 1053805856 /nfs/dbraw/zinc/80/58/56/1053805856.db2.gz QJIJWONACVEWFV-GOSISDBHSA-N 1 0 335.382 4.396 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(C#N)c(F)c1 ZINC000776738621 1053811860 /nfs/dbraw/zinc/81/18/60/1053811860.db2.gz GEVUBYIWSMYSCR-QKKBWIMNSA-N 1 0 334.394 4.235 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001196984137 1053817316 /nfs/dbraw/zinc/81/73/16/1053817316.db2.gz YDKMAXMJKDBYKE-QAPCUYQASA-N 1 0 330.435 4.375 20 30 EIEDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000121216250 1053823907 /nfs/dbraw/zinc/82/39/07/1053823907.db2.gz VUKBZVGNMHNKMR-CQSZACIVSA-N 1 0 344.842 4.271 20 30 EIEDRO N#Cc1ccc(N2CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC2)cc1 ZINC001197031996 1053828671 /nfs/dbraw/zinc/82/86/71/1053828671.db2.gz NOMNCODFRHMTBM-HXUWFJFHSA-N 1 0 337.854 4.021 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001197177081 1053848228 /nfs/dbraw/zinc/84/82/28/1053848228.db2.gz KNSCKLHQLLCVFW-VJBWXMMDSA-N 1 0 346.474 4.351 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cnn(C2CCC2)c1 ZINC000925488542 1053856612 /nfs/dbraw/zinc/85/66/12/1053856612.db2.gz KNHSEXZJTLPUBI-AWEZNQCLSA-N 1 0 347.384 4.329 20 30 EIEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(OC(F)(F)F)cc1 ZINC000130739939 1053861563 /nfs/dbraw/zinc/86/15/63/1053861563.db2.gz KMJKTIWHVQBGIL-UHFFFAOYSA-N 1 0 326.343 4.150 20 30 EIEDRO CCCCCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC001197317412 1053872140 /nfs/dbraw/zinc/87/21/40/1053872140.db2.gz SWTGEYQCBLLGDR-SFHVURJKSA-N 1 0 331.504 4.483 20 30 EIEDRO CC1(C)[C@H](c2ccccc2Cl)CCN1Cc1nc(C#N)cs1 ZINC001197314871 1053872720 /nfs/dbraw/zinc/87/27/20/1053872720.db2.gz GCJIBGLFFITVKY-AWEZNQCLSA-N 1 0 331.872 4.436 20 30 EIEDRO N#Cc1cc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)cs1 ZINC000921564813 1053885709 /nfs/dbraw/zinc/88/57/09/1053885709.db2.gz ZCRFOKNZTWEVLT-UHFFFAOYSA-N 1 0 339.464 4.038 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC ZINC000113348024 1053923530 /nfs/dbraw/zinc/92/35/30/1053923530.db2.gz XNIDGRHHSXVIAJ-KRWDZBQOSA-N 1 0 342.414 4.114 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)cc(C)c2)ccc1OC ZINC000113347501 1053923642 /nfs/dbraw/zinc/92/36/42/1053923642.db2.gz MUVZGJMDIOVHOP-IBGZPJMESA-N 1 0 338.451 4.283 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C)cc2C)ccc1OC ZINC000113347849 1053924787 /nfs/dbraw/zinc/92/47/87/1053924787.db2.gz KHALHJHUVMXPQQ-IBGZPJMESA-N 1 0 338.451 4.283 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000466790553 1053929833 /nfs/dbraw/zinc/92/98/33/1053929833.db2.gz PGKFKZZQCSDIGO-CRAIPNDOSA-N 1 0 334.891 4.195 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cc1 ZINC000776849479 1054007351 /nfs/dbraw/zinc/00/73/51/1054007351.db2.gz LALLGLZSHCQQLQ-GSPCLOLRSA-N 1 0 346.474 4.250 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000186164917 1054023977 /nfs/dbraw/zinc/02/39/77/1054023977.db2.gz WVFTUDHHOMQMHT-SFHVURJKSA-N 1 0 326.465 4.109 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2F)c1 ZINC000113952483 1054028142 /nfs/dbraw/zinc/02/81/42/1054028142.db2.gz DMEGDYPQGWJNIL-BBRMVZONSA-N 1 0 330.378 4.497 20 30 EIEDRO C#CC[N@@H+](C[C@H](Cc1ccccc1)OC)[C@H]1CCCc2ccccc21 ZINC001198104766 1054079473 /nfs/dbraw/zinc/07/94/73/1054079473.db2.gz RPVCRJTYGZYTEC-GMAHTHKFSA-N 1 0 333.475 4.257 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000856806769 1054113054 /nfs/dbraw/zinc/11/30/54/1054113054.db2.gz HREYQCZRJAHXER-CQSZACIVSA-N 1 0 327.255 4.043 20 30 EIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)c1 ZINC000123455231 1054149838 /nfs/dbraw/zinc/14/98/38/1054149838.db2.gz MAPABKWTRRGICB-FQEVSTJZSA-N 1 0 348.471 4.356 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[NH2+][C@H](c2ccncc2)C2CC2)cc1 ZINC001198498581 1054167260 /nfs/dbraw/zinc/16/72/60/1054167260.db2.gz KMHMNQLESSDQBZ-SFHVURJKSA-N 1 0 346.352 4.073 20 30 EIEDRO CN(C)c1ccc(C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000775882507 1054202739 /nfs/dbraw/zinc/20/27/39/1054202739.db2.gz IGNWBVBIAJPGRQ-UHFFFAOYSA-N 1 0 333.479 4.198 20 30 EIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011543 1054395808 /nfs/dbraw/zinc/39/58/08/1054395808.db2.gz WAAYMEZDOKOWLI-GOSISDBHSA-N 1 0 327.472 4.132 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024017 1054403970 /nfs/dbraw/zinc/40/39/70/1054403970.db2.gz SYYUZMZUKUGYTQ-HRAATJIYSA-N 1 0 347.462 4.435 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc(OC)c1O ZINC000872261455 1054427045 /nfs/dbraw/zinc/42/70/45/1054427045.db2.gz FHXRFYRBRPOAEE-LJQANCHMSA-N 1 0 345.483 4.053 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776002509 1054436837 /nfs/dbraw/zinc/43/68/37/1054436837.db2.gz FBVCXQIODQHWRY-FXAWDEMLSA-N 1 0 325.452 4.283 20 30 EIEDRO C#CCCOc1ccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000776013422 1054438361 /nfs/dbraw/zinc/43/83/61/1054438361.db2.gz GPMNEPTWKPJUJJ-HSZRJFAPSA-N 1 0 347.458 4.110 20 30 EIEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3c[nH]c4c3cccc4F)C2)cc1 ZINC001137060371 1054449727 /nfs/dbraw/zinc/44/97/27/1054449727.db2.gz PSIGVTMUDCIQIS-GOSISDBHSA-N 1 0 349.409 4.222 20 30 EIEDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1F ZINC000858258093 1054449975 /nfs/dbraw/zinc/44/99/75/1054449975.db2.gz UUIMRSFFWOYCBY-CQSZACIVSA-N 1 0 342.414 4.150 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(C(F)(F)F)CCCC2)cc1 ZINC000858307863 1054457488 /nfs/dbraw/zinc/45/74/88/1054457488.db2.gz OQAQEVMBTQNIBK-CYBMUJFWSA-N 1 0 326.362 4.190 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)C1 ZINC001199743075 1054460143 /nfs/dbraw/zinc/46/01/43/1054460143.db2.gz QALQBLFLUKSUNH-RTBURBONSA-N 1 0 343.511 4.386 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000873184315 1054502966 /nfs/dbraw/zinc/50/29/66/1054502966.db2.gz LPIQMXIMNGXDGN-CQSZACIVSA-N 1 0 342.395 4.019 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cccc3[nH]ccc32)cc(OC)c1OC ZINC000105478001 1054526001 /nfs/dbraw/zinc/52/60/01/1054526001.db2.gz VYPWKQHVAJLMBS-UHFFFAOYSA-N 1 0 336.435 4.203 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282209470 1054612180 /nfs/dbraw/zinc/61/21/80/1054612180.db2.gz XULJOFJNIHRQOX-VQIMIIECSA-N 1 0 334.467 4.032 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCc1c(C)cccc1C ZINC001201025116 1054614807 /nfs/dbraw/zinc/61/48/07/1054614807.db2.gz BWXWKIDPFVHHRF-UHFFFAOYSA-N 1 0 327.855 4.301 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000776154989 1054744000 /nfs/dbraw/zinc/74/40/00/1054744000.db2.gz FKKGBVDKMUDKKO-INIZCTEOSA-N 1 0 339.508 4.243 20 30 EIEDRO C[C@H]([NH2+]Cc1cc2c(s1)CCCC2)c1ccc(OCC#N)cc1 ZINC000776160588 1054758514 /nfs/dbraw/zinc/75/85/14/1054758514.db2.gz PBADPHOVPHUQEU-AWEZNQCLSA-N 1 0 326.465 4.380 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C12CCCCC2 ZINC000776162045 1054773625 /nfs/dbraw/zinc/77/36/25/1054773625.db2.gz BVKGTTFPVGVTNL-FFZOFVMBSA-N 1 0 342.483 4.367 20 30 EIEDRO C[C@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000776163952 1054773956 /nfs/dbraw/zinc/77/39/56/1054773956.db2.gz MYWBYBQREYIRJS-INIZCTEOSA-N 1 0 338.426 4.402 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776164847 1054779500 /nfs/dbraw/zinc/77/95/00/1054779500.db2.gz KWWWPDPSDZHXGU-APWZRJJASA-N 1 0 349.434 4.121 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000776161082 1054785543 /nfs/dbraw/zinc/78/55/43/1054785543.db2.gz STYGWHPVOWSZNY-IFXJQAMLSA-N 1 0 340.398 4.293 20 30 EIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000776167184 1054800151 /nfs/dbraw/zinc/80/01/51/1054800151.db2.gz BZHPGFVJHSGLDQ-STQMWFEESA-N 1 0 331.428 4.078 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000776172530 1054801530 /nfs/dbraw/zinc/80/15/30/1054801530.db2.gz ZPYHYIJTWLCDGU-LIRRHRJNSA-N 1 0 344.842 4.281 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000776171544 1054802035 /nfs/dbraw/zinc/80/20/35/1054802035.db2.gz UJGIQDWCHWRSLT-GXYOHSSGSA-N 1 0 336.435 4.193 20 30 EIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Oc1ccccc1C ZINC000776170265 1054802401 /nfs/dbraw/zinc/80/24/01/1054802401.db2.gz ORRMSQWKNXBIFX-IEBWSBKVSA-N 1 0 338.451 4.406 20 30 EIEDRO N#CCc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001201474246 1054827894 /nfs/dbraw/zinc/82/78/94/1054827894.db2.gz BAEVOKLCJUTSOV-YADHBBJMSA-N 1 0 329.447 4.485 20 30 EIEDRO CCCCCCCCCCC[N@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001201630951 1054860855 /nfs/dbraw/zinc/86/08/55/1054860855.db2.gz JPFDMBURXVSQSM-LJQANCHMSA-N 1 0 335.536 4.492 20 30 EIEDRO CCCCCCCCCCC[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001201630974 1054861150 /nfs/dbraw/zinc/86/11/50/1054861150.db2.gz JTOMXCYMAPAPNZ-UHFFFAOYSA-N 1 0 336.520 4.036 20 30 EIEDRO C(#CC1CC[NH+](Cc2ccccc2-n2cccn2)CC1)c1ccccc1 ZINC001137102080 1054868170 /nfs/dbraw/zinc/86/81/70/1054868170.db2.gz HBCWRXMVSRYJHI-UHFFFAOYSA-N 1 0 341.458 4.136 20 30 EIEDRO CC(C)CC[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001201623840 1054868599 /nfs/dbraw/zinc/86/85/99/1054868599.db2.gz OSKIYPRWGFHEFU-UHFFFAOYSA-N 1 0 335.289 4.352 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001201644621 1054876036 /nfs/dbraw/zinc/87/60/36/1054876036.db2.gz IEGVAGLZCDHOAV-IRXDYDNUSA-N 1 0 336.520 4.358 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cccc(F)c1I ZINC001201657174 1054877649 /nfs/dbraw/zinc/87/76/49/1054877649.db2.gz XELFZCQDGBNWEE-LLVKDONJSA-N 1 0 347.215 4.265 20 30 EIEDRO CCCCCCC[N@@H+]1CCc2c(c(COCC)nn2CC2CC2)C1 ZINC001201762374 1054899454 /nfs/dbraw/zinc/89/94/54/1054899454.db2.gz IAGNASLYYYBZNG-UHFFFAOYSA-N 1 0 333.520 4.158 20 30 EIEDRO CCCCCCCC[N@@H+]1C[C@H](c2ccccc2)[C@]2(CCN(C)C2=O)C1 ZINC001201813858 1054911363 /nfs/dbraw/zinc/91/13/63/1054911363.db2.gz KKGJSQKCXJALPD-IRLDBZIGSA-N 1 0 342.527 4.295 20 30 EIEDRO CCCCCCC[N@@H+]1CCO[C@@H]2[C@H](COCc3cccnc3)CC[C@@H]21 ZINC001201776866 1054917560 /nfs/dbraw/zinc/91/75/60/1054917560.db2.gz OJNQMVDOPWUIMN-PCCBWWKXSA-N 1 0 346.515 4.048 20 30 EIEDRO CCCCCCCC[N@@H+]1CCc2onc(COc3ccccn3)c2C1 ZINC001201826414 1054925626 /nfs/dbraw/zinc/92/56/26/1054925626.db2.gz VVKXXQBDYSAZRE-UHFFFAOYSA-N 1 0 343.471 4.367 20 30 EIEDRO CCCCCCCCC[NH+]1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC001201838710 1054930857 /nfs/dbraw/zinc/93/08/57/1054930857.db2.gz DPCRZGIVZHTKBN-SFTDATJTSA-N 1 0 329.532 4.196 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 ZINC001201839364 1054931597 /nfs/dbraw/zinc/93/15/97/1054931597.db2.gz MLWKVGQHIOGCLA-KURKYZTESA-N 1 0 335.492 4.423 20 30 EIEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CCCCCCCCC ZINC001201847272 1054934542 /nfs/dbraw/zinc/93/45/42/1054934542.db2.gz UIIKCZHTEJKQQB-LJQANCHMSA-N 1 0 333.520 4.273 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000876631500 1054941440 /nfs/dbraw/zinc/94/14/40/1054941440.db2.gz STNHYLYPVWZVIH-LJQANCHMSA-N 1 0 342.870 4.016 20 30 EIEDRO C=CCN1CC[C@@]2(CCC[N@@H+](CC[C@@H](C)CCC=C(C)C)C2)C1=O ZINC001201977663 1054955165 /nfs/dbraw/zinc/95/51/65/1054955165.db2.gz VRWDTBLMPTYFIB-PZJWPPBQSA-N 1 0 332.532 4.260 20 30 EIEDRO COc1ccc(C2([NH2+]Cc3cc(C#N)cnc3Cl)CCCC2)cc1 ZINC000877037714 1055006976 /nfs/dbraw/zinc/00/69/76/1055006976.db2.gz WQVBGIDEUOGFFR-UHFFFAOYSA-N 1 0 341.842 4.174 20 30 EIEDRO Cc1ccc(Oc2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2)c(C)c1 ZINC000877233795 1055034840 /nfs/dbraw/zinc/03/48/40/1055034840.db2.gz JSNJAEZLLBCYJX-SFHVURJKSA-N 1 0 337.423 4.055 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000877424021 1055052114 /nfs/dbraw/zinc/05/21/14/1055052114.db2.gz DOQYYGOLRLVFEU-AWEZNQCLSA-N 1 0 339.748 4.042 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877552341 1055079303 /nfs/dbraw/zinc/07/93/03/1055079303.db2.gz CRTXCEMHSDJAIS-KURKYZTESA-N 1 0 349.519 4.038 20 30 EIEDRO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000126641028 1055107225 /nfs/dbraw/zinc/10/72/25/1055107225.db2.gz ZTIPXEXKDYOOKT-QGZVFWFLSA-N 1 0 335.234 4.030 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822550 1055128242 /nfs/dbraw/zinc/12/82/42/1055128242.db2.gz RJWHLRDHZGNACD-CJNGLKHVSA-N 1 0 340.389 4.029 20 30 EIEDRO CC[C@H](C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000173497407 1055143605 /nfs/dbraw/zinc/14/36/05/1055143605.db2.gz NKTDJKMPKBGNKE-INIZCTEOSA-N 1 0 346.434 4.409 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000877903636 1055149295 /nfs/dbraw/zinc/14/92/95/1055149295.db2.gz ZILHSWGVTIEIMZ-ICSRJNTNSA-N 1 0 338.476 4.326 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000877951909 1055160749 /nfs/dbraw/zinc/16/07/49/1055160749.db2.gz UHDJVWKKIKVVCW-FGZHOGPDSA-N 1 0 332.447 4.046 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+](CC1CC1)C1CCCCC1)c1ccccc1 ZINC000878045876 1055179756 /nfs/dbraw/zinc/17/97/56/1055179756.db2.gz NPVVYUSDLNUUAD-JOCHJYFZSA-N 1 0 338.495 4.472 20 30 EIEDRO CC(=O)[C@@](C#N)(CCN(C)Cc1cc2ccccc2o1)c1ccccc1 ZINC000878159573 1055196247 /nfs/dbraw/zinc/19/62/47/1055196247.db2.gz YZKOMXUITAIYSO-QFIPXVFZSA-N 1 0 346.430 4.305 20 30 EIEDRO C=CCCC[C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000878317811 1055239442 /nfs/dbraw/zinc/23/94/42/1055239442.db2.gz SEQUVDAEWOGTES-NRFANRHFSA-N 1 0 340.511 4.117 20 30 EIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000765779473 1055271660 /nfs/dbraw/zinc/27/16/60/1055271660.db2.gz WNDWXXIOPRYNEW-LBPRGKRZSA-N 1 0 328.250 4.043 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405590 1055294403 /nfs/dbraw/zinc/29/44/03/1055294403.db2.gz IHBRZFCKTOVZGA-JTHBVZDNSA-N 1 0 346.474 4.225 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2c(C)cc(C)cc2C1)c1ccccc1 ZINC000878458289 1055317544 /nfs/dbraw/zinc/31/75/44/1055317544.db2.gz MOAQKFWTVOSRST-QHCPKHFHSA-N 1 0 346.474 4.102 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1cc(C)ccc1C)c1ccccc1 ZINC000878510949 1055329349 /nfs/dbraw/zinc/32/93/49/1055329349.db2.gz ULVCVFISLVSRGE-QFIPXVFZSA-N 1 0 334.463 4.176 20 30 EIEDRO C[C@@](O)(C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1Cl ZINC000765807534 1055414477 /nfs/dbraw/zinc/41/44/77/1055414477.db2.gz DPVNYQGONJDXKO-WOJBJXKFSA-N 1 0 340.854 4.086 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000090451169 1055517513 /nfs/dbraw/zinc/51/75/13/1055517513.db2.gz UETSNUCACRIEJG-HNNXBMFYSA-N 1 0 330.497 4.286 20 30 EIEDRO COCCC[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000903100209 1055541221 /nfs/dbraw/zinc/54/12/21/1055541221.db2.gz KEKCIQAJSLVSJT-OAHLLOKOSA-N 1 0 339.277 4.056 20 30 EIEDRO Cc1cccc(C[N@@H+](CC(=O)Nc2sccc2C#N)CC(C)C)c1 ZINC000553849485 1055849204 /nfs/dbraw/zinc/84/92/04/1055849204.db2.gz HFGZESYDYKOPSP-UHFFFAOYSA-N 1 0 341.480 4.025 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 ZINC000301207845 1055906804 /nfs/dbraw/zinc/90/68/04/1055906804.db2.gz SMFBFQPVFLWTTO-AWEZNQCLSA-N 1 0 338.411 4.008 20 30 EIEDRO C[C@@H](CNc1c(C#N)cnc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000301365488 1055927250 /nfs/dbraw/zinc/92/72/50/1055927250.db2.gz SCLZGQMMGLFUMV-AWEZNQCLSA-N 1 0 348.475 4.027 20 30 EIEDRO Cc1ccc([C@H](CNc2c(C#N)cnc3ccccc32)[NH+]2CCCC2)o1 ZINC000301405979 1055932379 /nfs/dbraw/zinc/93/23/79/1055932379.db2.gz LTCDKBWHEPOOBF-IBGZPJMESA-N 1 0 346.434 4.257 20 30 EIEDRO N#Cc1cc(F)ccc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000301437819 1055935966 /nfs/dbraw/zinc/93/59/66/1055935966.db2.gz XFUGHHLIHJESGU-UHFFFAOYSA-N 1 0 329.444 4.083 20 30 EIEDRO C[N@@H+]1CCC[C@H](CNc2cccc(F)c2C#N)[C@H]1c1cccs1 ZINC000301433550 1055937575 /nfs/dbraw/zinc/93/75/75/1055937575.db2.gz RGMYDAWWHOFBIH-ACJLOTCBSA-N 1 0 329.444 4.254 20 30 EIEDRO C[NH+](C)[C@H](CNc1ccc(C(F)(F)F)cc1C#N)c1cccs1 ZINC000301456456 1055939265 /nfs/dbraw/zinc/93/92/65/1055939265.db2.gz CDUPXQPVPCOGDD-CQSZACIVSA-N 1 0 339.386 4.353 20 30 EIEDRO N#Cc1cc(F)c(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000301520087 1055944180 /nfs/dbraw/zinc/94/41/80/1055944180.db2.gz KYFDWDOGKRVKOU-HNNXBMFYSA-N 1 0 333.407 4.147 20 30 EIEDRO N#Cc1cc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c2ccccc2n1 ZINC000301545124 1055949003 /nfs/dbraw/zinc/94/90/03/1055949003.db2.gz TVONNLJBQDFBFT-IBGZPJMESA-N 1 0 348.475 4.417 20 30 EIEDRO N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000301699531 1055970384 /nfs/dbraw/zinc/97/03/84/1055970384.db2.gz DZXPYLNAQKKCDS-UNMCSNQZSA-N 1 0 331.463 4.049 20 30 EIEDRO N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000301749541 1055979584 /nfs/dbraw/zinc/97/95/84/1055979584.db2.gz ADQLIHUPVFYCBG-KSSFIOAISA-N 1 0 349.400 4.030 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000554068113 1055997809 /nfs/dbraw/zinc/99/78/09/1055997809.db2.gz XQYMLQKPKGWCTP-OLZOCXBDSA-N 1 0 333.357 4.254 20 30 EIEDRO N#Cc1c(Cl)nsc1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000301976060 1056005945 /nfs/dbraw/zinc/00/59/45/1056005945.db2.gz LZYBRFYRDUVIHO-UHFFFAOYSA-N 1 0 332.860 4.050 20 30 EIEDRO Cc1cc(N[C@H](C)c2ccc(C#N)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302064480 1056012535 /nfs/dbraw/zinc/01/25/35/1056012535.db2.gz ALIMUUBHEFCWKP-CYBMUJFWSA-N 1 0 332.363 4.496 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000302085581 1056015953 /nfs/dbraw/zinc/01/59/53/1056015953.db2.gz DVUHPMWHLFOFBG-UZLBHIALSA-N 1 0 347.462 4.226 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000302116560 1056019316 /nfs/dbraw/zinc/01/93/16/1056019316.db2.gz RUYOCSIYLNBQEM-INIZCTEOSA-N 1 0 347.462 4.398 20 30 EIEDRO CCCC[N@H+](CC(=O)Nc1sccc1C#N)[C@H](C)c1ccccc1 ZINC000123350898 1056083795 /nfs/dbraw/zinc/08/37/95/1056083795.db2.gz JAAVZCBJHIHZFR-OAHLLOKOSA-N 1 0 341.480 4.422 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000108852118 1056145571 /nfs/dbraw/zinc/14/55/71/1056145571.db2.gz QDJURXNHWTWCQA-LJQANCHMSA-N 1 0 339.414 4.013 20 30 EIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1Br ZINC000091469184 1056154401 /nfs/dbraw/zinc/15/44/01/1056154401.db2.gz WDIBWVUGWLUUDM-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000305779899 1056622802 /nfs/dbraw/zinc/62/28/02/1056622802.db2.gz SHRHBBXLZJSURY-AOMKIAJQSA-N 1 0 343.430 4.004 20 30 EIEDRO N#Cc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000110676807 1056682169 /nfs/dbraw/zinc/68/21/69/1056682169.db2.gz GJICWHAKNOAOPY-KRWDZBQOSA-N 1 0 329.831 4.444 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1Cl ZINC000063499877 1056813917 /nfs/dbraw/zinc/81/39/17/1056813917.db2.gz IATKXMFUNKUBCS-UHFFFAOYSA-N 1 0 341.842 4.062 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)cc1 ZINC000742391291 1058591105 /nfs/dbraw/zinc/59/11/05/1058591105.db2.gz GNGGIHYKFKLNHT-KRWDZBQOSA-N 1 0 333.435 4.288 20 30 EIEDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000742372098 1058596031 /nfs/dbraw/zinc/59/60/31/1058596031.db2.gz RBJAKFLGGJHVMA-SFHVURJKSA-N 1 0 328.843 4.331 20 30 EIEDRO COc1ccc(C[NH2+]C2CC(c3cccc(Cl)c3)C2)cc1C#N ZINC000742377508 1058603085 /nfs/dbraw/zinc/60/30/85/1058603085.db2.gz NCXXVGZJBDVHMJ-UHFFFAOYSA-N 1 0 326.827 4.256 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]C[C@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000742710052 1058720196 /nfs/dbraw/zinc/72/01/96/1058720196.db2.gz DFAOANUFQAZSAI-GGAORHGYSA-N 1 0 349.474 4.265 20 30 EIEDRO C#CCCC[NH2+][C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000743484279 1059014478 /nfs/dbraw/zinc/01/44/78/1059014478.db2.gz CKUDTOIQCKQOSI-LJQANCHMSA-N 1 0 340.854 4.331 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2cccc(F)c2)cc(OC)c1OC ZINC000743474560 1059023250 /nfs/dbraw/zinc/02/32/50/1059023250.db2.gz VJRGYZBRSUYEJH-AWEZNQCLSA-N 1 0 329.415 4.422 20 30 EIEDRO C#CC[N@@H+](CCC1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000743848047 1059146982 /nfs/dbraw/zinc/14/69/82/1059146982.db2.gz MVCSHRRPHYEKFD-INIZCTEOSA-N 1 0 334.257 4.008 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000743852566 1059154571 /nfs/dbraw/zinc/15/45/71/1059154571.db2.gz PUPMJMZMQSAZGF-GOSISDBHSA-N 1 0 348.874 4.166 20 30 EIEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@H]3Cc3ccccc3)n2)cc1 ZINC000744131162 1059279638 /nfs/dbraw/zinc/27/96/38/1059279638.db2.gz VUZGWWBNXATWDG-NRFANRHFSA-N 1 0 342.446 4.086 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000744211259 1059328661 /nfs/dbraw/zinc/32/86/61/1059328661.db2.gz IFUCJJRDRHVQMU-UHFFFAOYSA-N 1 0 349.430 4.038 20 30 EIEDRO CCSCC[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000744426222 1059482791 /nfs/dbraw/zinc/48/27/91/1059482791.db2.gz ILXAYXVAHYPZDA-ZDUSSCGKSA-N 1 0 326.893 4.206 20 30 EIEDRO C#CC[C@H]1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000829793604 1059537908 /nfs/dbraw/zinc/53/79/08/1059537908.db2.gz JSBBEGKMULAASH-ZDUSSCGKSA-N 1 0 339.266 4.057 20 30 EIEDRO N#CCSCCC[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000745942765 1059916680 /nfs/dbraw/zinc/91/66/80/1059916680.db2.gz RGTSHELWMGLLDG-OAHLLOKOSA-N 1 0 328.403 4.489 20 30 EIEDRO C=CC[N@H+](Cc1cc(Br)ccc1OC(F)F)C(C)C ZINC000746101821 1060021721 /nfs/dbraw/zinc/02/17/21/1060021721.db2.gz SHRYYUCFYVMZDB-UHFFFAOYSA-N 1 0 334.204 4.447 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000746125376 1060035895 /nfs/dbraw/zinc/03/58/95/1060035895.db2.gz HDCRKKPQJOCCRH-LLGFUMIMSA-N 1 0 347.462 4.153 20 30 EIEDRO C=CCC1(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CCCC1 ZINC001273438773 1060098417 /nfs/dbraw/zinc/09/84/17/1060098417.db2.gz QAWTZKBGXQGGQF-UHFFFAOYSA-N 1 0 340.511 4.294 20 30 EIEDRO C#C[C@@H]([NH2+][C@H](C)CCc1cccnc1)c1ccc(Br)cc1 ZINC001205991012 1060279131 /nfs/dbraw/zinc/27/91/31/1060279131.db2.gz ZWDPAVJUVMNINQ-RDTXWAMCSA-N 1 0 343.268 4.129 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2SC)cc1 ZINC000766367597 1060311878 /nfs/dbraw/zinc/31/18/78/1060311878.db2.gz UEHOFPGOPDGTMY-AWEZNQCLSA-N 1 0 329.440 4.410 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CC)C[C@@H](C)CO)cc1 ZINC000766361345 1060312579 /nfs/dbraw/zinc/31/25/79/1060312579.db2.gz UHUIPWDAMDRAFK-KMFMINBZSA-N 1 0 325.880 4.266 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000766489102 1060380230 /nfs/dbraw/zinc/38/02/30/1060380230.db2.gz RMTUKBLOAIBGOB-APWZRJJASA-N 1 0 345.870 4.245 20 30 EIEDRO CC(C)Oc1cccc(C[N@H+](C)CCCOc2ccc(C#N)cc2)c1 ZINC001168887388 1060505273 /nfs/dbraw/zinc/50/52/73/1060505273.db2.gz YYPCRXWHXHTKOQ-UHFFFAOYSA-N 1 0 338.451 4.246 20 30 EIEDRO CCCCCCC[N@H+](C)[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168939592 1060534053 /nfs/dbraw/zinc/53/40/53/1060534053.db2.gz GSDQDBATQRYPTH-LJQANCHMSA-N 1 0 346.515 4.088 20 30 EIEDRO CC1(C)C[C@H](Nc2nc3ccccc3cc2CC#N)C[C@](C)(C[NH3+])C1 ZINC001169139556 1060655443 /nfs/dbraw/zinc/65/54/43/1060655443.db2.gz BWPQSHHOXLOABE-UWJYYQICSA-N 1 0 336.483 4.256 20 30 EIEDRO CC1(C)C[C@H](Nc2ncc(C#N)c3ccsc32)C[C@](C)(C[NH3+])C1 ZINC001169146686 1060665746 /nfs/dbraw/zinc/66/57/46/1060665746.db2.gz RTSIFMRATGYFSN-UGSOOPFHSA-N 1 0 328.485 4.124 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC001169261978 1060710051 /nfs/dbraw/zinc/71/00/51/1060710051.db2.gz SPIJRDCREQRRAF-QFIPXVFZSA-N 1 0 341.495 4.211 20 30 EIEDRO C[C@](C#N)(Nc1ccc([C@@H]2CCC[NH2+]2)cn1)c1ccccc1Cl ZINC001169377029 1060790389 /nfs/dbraw/zinc/79/03/89/1060790389.db2.gz WJGVFXFBNMDWJB-FUHWJXTLSA-N 1 0 326.831 4.010 20 30 EIEDRO CC[C@H](C[N@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC001169483873 1060827821 /nfs/dbraw/zinc/82/78/21/1060827821.db2.gz XVUVCCOLWVSMOA-QGZVFWFLSA-N 1 0 337.423 4.482 20 30 EIEDRO CC1(C)CCCC[C@@H]1[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001169554256 1060854647 /nfs/dbraw/zinc/85/46/47/1060854647.db2.gz IRTJULFRYKUKEX-INIZCTEOSA-N 1 0 325.374 4.495 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCc3ccccc3[C@@H]2O)cc1 ZINC001169629349 1060877248 /nfs/dbraw/zinc/87/72/48/1060877248.db2.gz TXQLTQOEZCTENV-ZLNRFVROSA-N 1 0 348.490 4.470 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(C#N)cc(C(F)(F)F)n1 ZINC001169684759 1060897534 /nfs/dbraw/zinc/89/75/34/1060897534.db2.gz LMYNBURSXHBNRU-CQSZACIVSA-N 1 0 346.356 4.212 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(C#N)c(C(F)(F)F)n1 ZINC001169686570 1060900007 /nfs/dbraw/zinc/90/00/07/1060900007.db2.gz XUCLGJKPACIIFR-AWEZNQCLSA-N 1 0 346.356 4.212 20 30 EIEDRO C=CC[C@@H]1[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)CCCC1(C)C ZINC001169844004 1060993827 /nfs/dbraw/zinc/99/38/27/1060993827.db2.gz JAYPDEJVOGERET-KRWDZBQOSA-N 1 0 336.520 4.310 20 30 EIEDRO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000766895427 1061056241 /nfs/dbraw/zinc/05/62/41/1061056241.db2.gz LAOVXYVFLOMHBB-UHFFFAOYSA-N 1 0 349.478 4.189 20 30 EIEDRO N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000532242538 1032121661 /nfs/dbraw/zinc/12/16/61/1032121661.db2.gz GJBGEFHMOKANTA-XZOQPEGZSA-N 1 0 345.490 4.045 20 30 EIEDRO CSc1cc(Br)ccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000532296598 1032133601 /nfs/dbraw/zinc/13/36/01/1032133601.db2.gz UKBXPQDDPUVCEW-UHFFFAOYSA-N 1 0 347.281 4.332 20 30 EIEDRO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCCC1 ZINC000449933460 1032137003 /nfs/dbraw/zinc/13/70/03/1032137003.db2.gz BHAPTQNTQYIRRG-SJLPKXTDSA-N 1 0 346.540 4.384 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccccc2)c2ccncc2)cc1 ZINC000237505996 1032230688 /nfs/dbraw/zinc/23/06/88/1032230688.db2.gz AHJLZTCDHNFIGR-HTAPYJJXSA-N 1 0 343.430 4.252 20 30 EIEDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000237693934 1032234284 /nfs/dbraw/zinc/23/42/84/1032234284.db2.gz FAZWOZGXPWDJGI-ROUUACIJSA-N 1 0 336.483 4.380 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000172118570 1032278219 /nfs/dbraw/zinc/27/82/19/1032278219.db2.gz KODOATJDRDZAOB-QHCPKHFHSA-N 1 0 342.442 4.363 20 30 EIEDRO [NH2+]=C(Nc1ccccc1)N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000262802530 1032307107 /nfs/dbraw/zinc/30/71/07/1032307107.db2.gz MSYAQGKNTYPXMD-SAZUREKKSA-N 1 0 333.357 4.378 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000532928840 1032394109 /nfs/dbraw/zinc/39/41/09/1032394109.db2.gz RYVXCAVHWUPPKR-GJZGRUSLSA-N 1 0 347.528 4.243 20 30 EIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000532934924 1032411224 /nfs/dbraw/zinc/41/12/24/1032411224.db2.gz JMFMNTXORQEQHM-FQEVSTJZSA-N 1 0 335.451 4.360 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000610250191 1032420544 /nfs/dbraw/zinc/42/05/44/1032420544.db2.gz IVJPONMQWNIEDO-WIYYLYMNSA-N 1 0 349.478 4.309 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)c1 ZINC000529524492 1032425313 /nfs/dbraw/zinc/42/53/13/1032425313.db2.gz CEODYJAIRTVNFZ-UHFFFAOYSA-N 1 0 331.419 4.083 20 30 EIEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC2(C#N)CCC2)cc1OC ZINC000450341138 1032431824 /nfs/dbraw/zinc/43/18/24/1032431824.db2.gz YYJUSQHFLYCLSV-SFHVURJKSA-N 1 0 342.483 4.185 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)c(F)c1 ZINC000529567012 1032458870 /nfs/dbraw/zinc/45/88/70/1032458870.db2.gz SJJDWJNBBCZISE-UHFFFAOYSA-N 1 0 349.409 4.222 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)cc1C#N ZINC000533079619 1032481130 /nfs/dbraw/zinc/48/11/30/1032481130.db2.gz PRBXUJLCGATRJQ-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO N#Cc1ccc(C2([NH2+]CCc3cccc(Cl)c3)CCOCC2)cc1 ZINC000529681166 1032528818 /nfs/dbraw/zinc/52/88/18/1032528818.db2.gz WHCOVAWZMSARKS-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000533233881 1032561631 /nfs/dbraw/zinc/56/16/31/1032561631.db2.gz PZGLFOFHOMMRAY-ZDUSSCGKSA-N 1 0 346.377 4.361 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000533248147 1032565635 /nfs/dbraw/zinc/56/56/35/1032565635.db2.gz MGENZSHXUURYNM-HNNXBMFYSA-N 1 0 339.414 4.109 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)cc1 ZINC000180439349 1032590180 /nfs/dbraw/zinc/59/01/80/1032590180.db2.gz HPOKEJGXTYBOLX-KUHUBIRLSA-N 1 0 340.398 4.120 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000533288563 1032601216 /nfs/dbraw/zinc/60/12/16/1032601216.db2.gz OPRQJBMBLRPQRY-IRXDYDNUSA-N 1 0 334.529 4.478 20 30 EIEDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000533367587 1032704849 /nfs/dbraw/zinc/70/48/49/1032704849.db2.gz AKTINXAHLKYPRR-MGPUTAFESA-N 1 0 333.435 4.016 20 30 EIEDRO COc1ccc([C@@H]2CCCN2Cc2cccc(C#N)c2F)c(OC)c1 ZINC000512410390 1032706503 /nfs/dbraw/zinc/70/65/03/1032706503.db2.gz RUVBSYKFTPSBSS-SFHVURJKSA-N 1 0 340.398 4.052 20 30 EIEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000512427859 1032744386 /nfs/dbraw/zinc/74/43/86/1032744386.db2.gz NSKLLILUAIZZTG-YJBOKZPZSA-N 1 0 339.401 4.072 20 30 EIEDRO Cc1ccc(-c2ncc(CN3C[C@@H](c4ccccc4)[C@H](C#N)C3)s2)o1 ZINC000430153096 1018883341 /nfs/dbraw/zinc/88/33/41/1018883341.db2.gz XRLABQWSQBPVTB-AEFFLSMTSA-N 1 0 349.459 4.451 20 30 EIEDRO CSC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000430188318 1019061192 /nfs/dbraw/zinc/06/11/92/1019061192.db2.gz AVTLKJQSTUOMGL-ZDUSSCGKSA-N 1 0 328.403 4.152 20 30 EIEDRO C=CCNC(=O)C[N@H+](Cc1ccc(-c2ccc(F)cc2)s1)C(C)C ZINC000064801658 1019216163 /nfs/dbraw/zinc/21/61/63/1019216163.db2.gz BKAUAUIAAKUQRS-UHFFFAOYSA-N 1 0 346.471 4.067 20 30 EIEDRO C=CCCc1ccccc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655054872 1019272538 /nfs/dbraw/zinc/27/25/38/1019272538.db2.gz FQZLMRGJARAJFN-HXUWFJFHSA-N 1 0 334.463 4.266 20 30 EIEDRO C=C(C)COCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000322950378 1019430612 /nfs/dbraw/zinc/43/06/12/1019430612.db2.gz OEKHROMKDLFJPI-UHFFFAOYSA-N 1 0 328.437 4.239 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000157573753 1019491336 /nfs/dbraw/zinc/49/13/36/1019491336.db2.gz GTOKDHJIGMPDMU-MRXNPFEDSA-N 1 0 347.418 4.088 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccc(F)c(F)c1 ZINC000187371420 1019524155 /nfs/dbraw/zinc/52/41/55/1019524155.db2.gz HECNWYJQBGSKOO-LJQANCHMSA-N 1 0 333.378 4.389 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430247346 1019624591 /nfs/dbraw/zinc/62/45/91/1019624591.db2.gz GPJQKASKAQNGAV-UHFFFAOYSA-N 1 0 325.456 4.330 20 30 EIEDRO CC1(C)C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCC[C@@H]21 ZINC000339709569 1019838217 /nfs/dbraw/zinc/83/82/17/1019838217.db2.gz DWEPXUOUIWAXAI-AZUAARDMSA-N 1 0 349.478 4.248 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCn2ccc3ccccc32)cc1 ZINC000237487294 1032868377 /nfs/dbraw/zinc/86/83/77/1032868377.db2.gz CYZUIAZPNZVMRZ-KRWDZBQOSA-N 1 0 333.435 4.112 20 30 EIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000180373332 1020105913 /nfs/dbraw/zinc/10/59/13/1020105913.db2.gz RLXPLSXYOJZVMP-FPOVZHCZSA-N 1 0 344.499 4.443 20 30 EIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000429834793 1032880429 /nfs/dbraw/zinc/88/04/29/1032880429.db2.gz XZYUXIUVVZWIIB-UHFFFAOYSA-N 1 0 349.459 4.395 20 30 EIEDRO C=CCCCCCC[N@@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001209436021 1020335577 /nfs/dbraw/zinc/33/55/77/1020335577.db2.gz MJPXMIYJYOHCAM-UHFFFAOYSA-N 1 0 336.483 4.076 20 30 EIEDRO C=CCCCCCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001209439772 1020343256 /nfs/dbraw/zinc/34/32/56/1020343256.db2.gz YOSUQCICYRWANN-RBBKRZOGSA-N 1 0 340.511 4.119 20 30 EIEDRO CC(C)(C#N)CCCC[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430310018 1020365892 /nfs/dbraw/zinc/36/58/92/1020365892.db2.gz ZIAXTULQLCTIKG-UHFFFAOYSA-N 1 0 336.483 4.241 20 30 EIEDRO CCCCCCCCC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000155250124 1020398263 /nfs/dbraw/zinc/39/82/63/1020398263.db2.gz OXMQBZVDXGYQOL-SFHVURJKSA-N 1 0 345.531 4.474 20 30 EIEDRO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000024082768 1020482672 /nfs/dbraw/zinc/48/26/72/1020482672.db2.gz CGNFTADCKPPQTD-KRWDZBQOSA-N 1 0 337.467 4.204 20 30 EIEDRO CC(C)(C)c1cccc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC001167283417 1020827236 /nfs/dbraw/zinc/82/72/36/1020827236.db2.gz FMBFMNDBUKOZRF-UHFFFAOYSA-N 1 0 333.479 4.178 20 30 EIEDRO C=CC[C@@H]1[N@H+](Cc2csc(-c3cnn(C)c3)n2)CCCC1(C)C ZINC000683528197 1020863040 /nfs/dbraw/zinc/86/30/40/1020863040.db2.gz XXXMTQWWFGJRNN-INIZCTEOSA-N 1 0 330.501 4.110 20 30 EIEDRO N#Cc1cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)ccc1F ZINC000176842711 1020922265 /nfs/dbraw/zinc/92/22/65/1020922265.db2.gz NIANKDNCBDGXAF-UHFFFAOYSA-N 1 0 345.215 4.239 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(OCc2ccccn2)c1 ZINC000176951241 1020938162 /nfs/dbraw/zinc/93/81/62/1020938162.db2.gz DFMJCKZROYTFAG-OAHLLOKOSA-N 1 0 349.459 4.445 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)s1 ZINC000176949614 1020938213 /nfs/dbraw/zinc/93/82/13/1020938213.db2.gz VHNHTUXCOGEVJH-UHFFFAOYSA-N 1 0 339.395 4.236 20 30 EIEDRO CCCCOc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1OC ZINC000176947618 1020938405 /nfs/dbraw/zinc/93/84/05/1020938405.db2.gz XRKPPHMOHCYZDV-UHFFFAOYSA-N 1 0 330.453 4.097 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000176946934 1020938578 /nfs/dbraw/zinc/93/85/78/1020938578.db2.gz VSWBMUMDYAPZNR-GOSISDBHSA-N 1 0 345.899 4.200 20 30 EIEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176979482 1020943526 /nfs/dbraw/zinc/94/35/26/1020943526.db2.gz GHOFCFKNSZMCJS-VQIMIIECSA-N 1 0 326.465 4.186 20 30 EIEDRO N#CC1(CCC[N@H+]2CC[C@@H](Cc3cccc(Cl)c3)C2)CCOCC1 ZINC000375621572 1020985509 /nfs/dbraw/zinc/98/55/09/1020985509.db2.gz URHWKXGRTVKBHC-SFHVURJKSA-N 1 0 346.902 4.305 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c(F)cn1 ZINC000340444288 1021039116 /nfs/dbraw/zinc/03/91/16/1021039116.db2.gz CNXGRDIRLAGPKO-KBXCAEBGSA-N 1 0 327.403 4.315 20 30 EIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000340444673 1021039615 /nfs/dbraw/zinc/03/96/15/1021039615.db2.gz IAXCKEJLEXWDAY-UWJYYQICSA-N 1 0 345.450 4.353 20 30 EIEDRO Cn1nc(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c2ccccc21 ZINC000580024379 1021153511 /nfs/dbraw/zinc/15/35/11/1021153511.db2.gz YHKFWKATRNWSCY-HXUWFJFHSA-N 1 0 344.462 4.045 20 30 EIEDRO CC[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000472447939 1021200319 /nfs/dbraw/zinc/20/03/19/1021200319.db2.gz GCINMRKWDNKKQT-FGZHOGPDSA-N 1 0 348.490 4.434 20 30 EIEDRO COc1ccc([C@H](CCC#N)[NH2+]Cc2cccc(-n3ccnc3)c2)cc1 ZINC000580034581 1021309499 /nfs/dbraw/zinc/30/94/99/1021309499.db2.gz KISDGNMYWXSIIU-NRFANRHFSA-N 1 0 346.434 4.016 20 30 EIEDRO CCCCCCCCC(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000275723905 1021341112 /nfs/dbraw/zinc/34/11/12/1021341112.db2.gz OXOOMOQSMURSQG-FQEVSTJZSA-N 1 0 345.531 4.303 20 30 EIEDRO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610346149 1021345784 /nfs/dbraw/zinc/34/57/84/1021345784.db2.gz MVPTUPOZYOIGCZ-HOTGVXAUSA-N 1 0 349.478 4.361 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000512516670 1032972271 /nfs/dbraw/zinc/97/22/71/1032972271.db2.gz JWLRUIXXAUYVOE-UHFFFAOYSA-N 1 0 339.464 4.003 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610346452 1021357966 /nfs/dbraw/zinc/35/79/66/1021357966.db2.gz VATNUAQOEAWJTG-KGLIPLIRSA-N 1 0 341.842 4.198 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]Cc2cc(C#N)cs2)cnn1-c1ccc(F)cc1 ZINC000177692185 1021448467 /nfs/dbraw/zinc/44/84/67/1021448467.db2.gz JQMRBAWHBZTPLL-GFCCVEGCSA-N 1 0 340.427 4.104 20 30 EIEDRO COCC#CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001167691505 1021457848 /nfs/dbraw/zinc/45/78/48/1021457848.db2.gz XYCLTHOCLREFSI-UHFFFAOYSA-N 1 0 325.374 4.104 20 30 EIEDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@@H]12 ZINC000610367485 1021541996 /nfs/dbraw/zinc/54/19/96/1021541996.db2.gz JORDGSQCKKTUAO-JLSDUUJJSA-N 1 0 336.439 4.009 20 30 EIEDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCCC[C@H]12 ZINC000610367487 1021543812 /nfs/dbraw/zinc/54/38/12/1021543812.db2.gz JORDGSQCKKTUAO-ZTFGCOKTSA-N 1 0 336.439 4.009 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]Cc2ccccc2C(F)(F)F)O1 ZINC000376169079 1021646125 /nfs/dbraw/zinc/64/61/25/1021646125.db2.gz WZBWUTGYKJACQQ-JHNDHUHGSA-N 1 0 338.373 4.035 20 30 EIEDRO COC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cccc(Cl)c1 ZINC000580885475 1021824878 /nfs/dbraw/zinc/82/48/78/1021824878.db2.gz MULDIVSUYNFYDH-RBUKOAKNSA-N 1 0 326.827 4.176 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC000177974075 1021835784 /nfs/dbraw/zinc/83/57/84/1021835784.db2.gz RQBNGFHVOFGSEW-GOSISDBHSA-N 1 0 334.463 4.150 20 30 EIEDRO C=CCOC[C@H]1CCC[C@@]12CN(Cc1cc(C)c(F)c(C)c1)CCO2 ZINC001143379969 1021878300 /nfs/dbraw/zinc/87/83/00/1021878300.db2.gz XFYSNOHNXSJVMU-TZIWHRDSSA-N 1 0 347.474 4.016 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccco1 ZINC000683889965 1021880112 /nfs/dbraw/zinc/88/01/12/1021880112.db2.gz BTXLVGPOLLNGDS-DOTOQJQBSA-N 1 0 332.394 4.434 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ccc(Cl)cc3)C1)CC2 ZINC000582055529 1021902222 /nfs/dbraw/zinc/90/22/22/1021902222.db2.gz REUPBPPCZMGMGE-FXAWDEMLSA-N 1 0 337.854 4.067 20 30 EIEDRO N#Cc1csc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000175810000 1021973258 /nfs/dbraw/zinc/97/32/58/1021973258.db2.gz GZSKLAMWFFSKFN-UHFFFAOYSA-N 1 0 339.464 4.248 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000414165750 1022007863 /nfs/dbraw/zinc/00/78/63/1022007863.db2.gz MRDNYAWCFRFUIE-WBVHZDCISA-N 1 0 348.462 4.364 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000414165749 1022008017 /nfs/dbraw/zinc/00/80/17/1022008017.db2.gz MRDNYAWCFRFUIE-RDJZCZTQSA-N 1 0 348.462 4.364 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000377833416 1022037828 /nfs/dbraw/zinc/03/78/28/1022037828.db2.gz DOQZXTNNPOQXPX-ICSRJNTNSA-N 1 0 342.483 4.008 20 30 EIEDRO CC[C@@H]([NH2+][C@H](COC)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000278820844 1022061343 /nfs/dbraw/zinc/06/13/43/1022061343.db2.gz SMFAWIVZDQBNAA-RTBURBONSA-N 1 0 330.378 4.265 20 30 EIEDRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000580488244 1022086891 /nfs/dbraw/zinc/08/68/91/1022086891.db2.gz FXCPOKWYUSNFCM-ZDUSSCGKSA-N 1 0 344.842 4.470 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC001167412534 1022105332 /nfs/dbraw/zinc/10/53/32/1022105332.db2.gz MQICIIDJHDIMLW-QRWLVFNGSA-N 1 0 338.476 4.245 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000471592035 1022204697 /nfs/dbraw/zinc/20/46/97/1022204697.db2.gz BLFXGUUVQANZKU-AVYPCKFXSA-N 1 0 325.431 4.039 20 30 EIEDRO CCCCCCCCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180218602 1022310803 /nfs/dbraw/zinc/31/08/03/1022310803.db2.gz GKMDIXPTCXYEMK-UHFFFAOYSA-N 1 0 331.504 4.165 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(Cl)nc3Cl)sc2C1 ZINC001211271667 1022398922 /nfs/dbraw/zinc/39/89/22/1022398922.db2.gz VDLJIYNSQJYYOX-UHFFFAOYSA-N 1 0 339.251 4.053 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(Cl)c1 ZINC000584558240 1022416522 /nfs/dbraw/zinc/41/65/22/1022416522.db2.gz GSGYVLBYLLMBDV-HXUWFJFHSA-N 1 0 338.838 4.181 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414297330 1022438787 /nfs/dbraw/zinc/43/87/87/1022438787.db2.gz HGYAFBZYEPQYMY-HXUWFJFHSA-N 1 0 342.527 4.191 20 30 EIEDRO C=CCCCC[NH2+][C@@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000471617583 1022476705 /nfs/dbraw/zinc/47/67/05/1022476705.db2.gz GRLMWFCFWYBGKW-RTBURBONSA-N 1 0 335.513 4.026 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000472939472 1022500227 /nfs/dbraw/zinc/50/02/27/1022500227.db2.gz MLKKBRFJBMTMQK-UNMCSNQZSA-N 1 0 337.463 4.122 20 30 EIEDRO C=CCCCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000471620422 1022560866 /nfs/dbraw/zinc/56/08/66/1022560866.db2.gz RTRGFWIJGWXIPX-ZDUSSCGKSA-N 1 0 339.277 4.112 20 30 EIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000471622872 1022566026 /nfs/dbraw/zinc/56/60/26/1022566026.db2.gz YSEFKELOXFSLMG-LRQRDZAKSA-N 1 0 338.426 4.400 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659921350 1022572498 /nfs/dbraw/zinc/57/24/98/1022572498.db2.gz WCHQXHPONCVTRV-LJQANCHMSA-N 1 0 334.548 4.339 20 30 EIEDRO C[NH+](C)[C@H](CC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000416246007 1022657962 /nfs/dbraw/zinc/65/79/62/1022657962.db2.gz ZBYXHOFHDPXRSZ-NHCUHLMSSA-N 1 0 349.478 4.231 20 30 EIEDRO C[C@@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccc(OCC#N)cc1 ZINC000376451683 1022701819 /nfs/dbraw/zinc/70/18/19/1022701819.db2.gz XWHHWPLAQLDQTO-VVFCZOMOSA-N 1 0 342.389 4.464 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C2CCC(OC(C)C)CC2)ccc1OC ZINC000130072793 1022718127 /nfs/dbraw/zinc/71/81/27/1022718127.db2.gz LTRKOFWTWXKRBE-UHFFFAOYSA-N 1 0 347.499 4.476 20 30 EIEDRO CC[C@H](CC(F)F)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000659970916 1022792378 /nfs/dbraw/zinc/79/23/78/1022792378.db2.gz SDIQCTWRSGLMER-HLTSFMKQSA-N 1 0 327.259 4.340 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cncnc2)cc1)c1cccc(C#N)c1 ZINC000378449570 1022825740 /nfs/dbraw/zinc/82/57/40/1022825740.db2.gz GEVRDJLXGGICCM-JKSUJKDBSA-N 1 0 328.419 4.427 20 30 EIEDRO N#CCCC[NH2+][C@@H](Cc1ccccc1Br)c1ccco1 ZINC000926133866 1022837925 /nfs/dbraw/zinc/83/79/25/1022837925.db2.gz UOKWMUWKKJEUMS-HNNXBMFYSA-N 1 0 333.229 4.219 20 30 EIEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000236732013 1022864232 /nfs/dbraw/zinc/86/42/32/1022864232.db2.gz BZEWSNNRVATXPC-UHFFFAOYSA-N 1 0 349.297 4.450 20 30 EIEDRO CC(C)Oc1ccccc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000236678295 1022878076 /nfs/dbraw/zinc/87/80/76/1022878076.db2.gz LXOZSCVDRWHCRF-UHFFFAOYSA-N 1 0 338.451 4.446 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000181124059 1022892436 /nfs/dbraw/zinc/89/24/36/1022892436.db2.gz YWYBZSSWTNDJJE-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO COC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000610488722 1022896441 /nfs/dbraw/zinc/89/64/41/1022896441.db2.gz CYHGXNCXZBIENB-OAHLLOKOSA-N 1 0 340.370 4.116 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)c(F)c1 ZINC000343856681 1022917980 /nfs/dbraw/zinc/91/79/80/1022917980.db2.gz TXYKOUDZYCOWIM-GOSISDBHSA-N 1 0 346.352 4.466 20 30 EIEDRO CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCOCCC#N ZINC000549718169 1033092254 /nfs/dbraw/zinc/09/22/54/1033092254.db2.gz ZCQOJXJECZWBSS-MRXNPFEDSA-N 1 0 342.405 4.182 20 30 EIEDRO Cc1cccc2nc(C3CC[NH+](Cc4ccc(C#N)s4)CC3)oc21 ZINC000188883975 1022953092 /nfs/dbraw/zinc/95/30/92/1022953092.db2.gz RUAJXQYVLNTEJJ-UHFFFAOYSA-N 1 0 337.448 4.449 20 30 EIEDRO COc1ccc(CN(Cc2ccccc2)Cc2cncc(C#N)c2)cc1 ZINC001167708190 1023019462 /nfs/dbraw/zinc/01/94/62/1023019462.db2.gz LGDUOEMQNXGRLT-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000548160150 1023084659 /nfs/dbraw/zinc/08/46/59/1023084659.db2.gz ZOFYOIMCELXFCS-GDBMZVCRSA-N 1 0 333.501 4.124 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000236689711 1023125498 /nfs/dbraw/zinc/12/54/98/1023125498.db2.gz GMTLPQVFKVMONP-UHFFFAOYSA-N 1 0 338.442 4.035 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CS1 ZINC000414498321 1023244264 /nfs/dbraw/zinc/24/42/64/1023244264.db2.gz IDURYCPXXTXSHA-KXBFYZLASA-N 1 0 338.476 4.121 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659816347 1023291298 /nfs/dbraw/zinc/29/12/98/1023291298.db2.gz QMXCXFVEZSNPPA-MRXNPFEDSA-N 1 0 334.529 4.021 20 30 EIEDRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417366891 1023292067 /nfs/dbraw/zinc/29/20/67/1023292067.db2.gz NZIOTEXNMQUBLX-QKKBWIMNSA-N 1 0 333.435 4.245 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(OC(C)C)cc2)c1 ZINC000073011897 1023318990 /nfs/dbraw/zinc/31/89/90/1023318990.db2.gz SEOYQXPEDLJERD-IBGZPJMESA-N 1 0 338.451 4.445 20 30 EIEDRO CN(C)C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000581518570 1023324650 /nfs/dbraw/zinc/32/46/50/1023324650.db2.gz IWXUYVQSZZOAIB-PMACEKPBSA-N 1 0 339.870 4.091 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1F ZINC000613618269 1023337870 /nfs/dbraw/zinc/33/78/70/1023337870.db2.gz CCIBNSAWLDUDEX-GJZGRUSLSA-N 1 0 326.415 4.235 20 30 EIEDRO C=CC[N@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)CC1CCCCC1 ZINC000549137328 1023364875 /nfs/dbraw/zinc/36/48/75/1023364875.db2.gz QGXQDEXIOQPNRS-FQEVSTJZSA-N 1 0 340.511 4.217 20 30 EIEDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000341226004 1023400794 /nfs/dbraw/zinc/40/07/94/1023400794.db2.gz VERWFQBAFFFUCE-NVXWUHKLSA-N 1 0 347.890 4.097 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)cc1 ZINC000175911901 1023415015 /nfs/dbraw/zinc/41/50/15/1023415015.db2.gz QOEMHOCMKXCMES-KSSFIOAISA-N 1 0 325.843 4.141 20 30 EIEDRO Cc1ccc(-n2cc(C[NH2+]CCCC#N)c(-c3ccc(F)cc3)n2)cc1 ZINC000341262870 1023472771 /nfs/dbraw/zinc/47/27/71/1023472771.db2.gz RDDDMVMTJQQMCY-UHFFFAOYSA-N 1 0 348.425 4.380 20 30 EIEDRO C[N@H+](CCc1nccs1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000157846484 1023472832 /nfs/dbraw/zinc/47/28/32/1023472832.db2.gz RVJJPSKSDZGAHB-UHFFFAOYSA-N 1 0 333.460 4.356 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC001167746487 1023490479 /nfs/dbraw/zinc/49/04/79/1023490479.db2.gz WWISRZNJKKMLGF-JOCHJYFZSA-N 1 0 327.431 4.007 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@@H]1CCCCO1 ZINC000472752442 1023502274 /nfs/dbraw/zinc/50/22/74/1023502274.db2.gz PNRQROKEMWYWOW-QFIPXVFZSA-N 1 0 348.490 4.387 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2COCc3ccccc32)cc1Cl ZINC000418092397 1023524787 /nfs/dbraw/zinc/52/47/87/1023524787.db2.gz AENPSVFIPBBWAH-GOSISDBHSA-N 1 0 329.827 4.266 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Br)ccc1F ZINC000149615098 1023611076 /nfs/dbraw/zinc/61/10/76/1023611076.db2.gz LGXMKNLZCJFJTE-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)Oc2ccccc2C)cc1OC ZINC000462739120 1023623239 /nfs/dbraw/zinc/62/32/39/1023623239.db2.gz VICJPHDFDOEWGY-QGZVFWFLSA-N 1 0 341.451 4.126 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(Br)c3)CC2)cc1 ZINC000236777978 1023653023 /nfs/dbraw/zinc/65/30/23/1023653023.db2.gz YYQCWBRBFVPAFT-UHFFFAOYSA-N 1 0 341.252 4.142 20 30 EIEDRO CCOc1c(Cl)cc(C[N@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000127292332 1023690132 /nfs/dbraw/zinc/69/01/32/1023690132.db2.gz MKAFNMZTXSLWCD-UHFFFAOYSA-N 1 0 344.842 4.251 20 30 EIEDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000472838552 1023697680 /nfs/dbraw/zinc/69/76/80/1023697680.db2.gz ZKRXJRYGIDKGID-GOSISDBHSA-N 1 0 327.472 4.178 20 30 EIEDRO COc1ccc(Br)cc1C[N@H+](C)CCCC(C)(C)C#N ZINC000471699666 1023702095 /nfs/dbraw/zinc/70/20/95/1023702095.db2.gz BFJBGQVSKNXCAL-UHFFFAOYSA-N 1 0 339.277 4.219 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000415584524 1023709897 /nfs/dbraw/zinc/70/98/97/1023709897.db2.gz SVFDNVVHJGOLSV-UHFFFAOYSA-N 1 0 343.515 4.392 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000415586441 1023710522 /nfs/dbraw/zinc/71/05/22/1023710522.db2.gz VTJUMROOTDUGRI-MAUKXSAKSA-N 1 0 329.488 4.272 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000415586443 1023711050 /nfs/dbraw/zinc/71/10/50/1023711050.db2.gz VTJUMROOTDUGRI-QAPCUYQASA-N 1 0 329.488 4.272 20 30 EIEDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1ccc(C#N)cc1C ZINC000891569147 1023787956 /nfs/dbraw/zinc/78/79/56/1023787956.db2.gz NDKVFBRMXBXFFE-GOSISDBHSA-N 1 0 349.478 4.080 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1Cl ZINC000500418585 1023817160 /nfs/dbraw/zinc/81/71/60/1023817160.db2.gz CKJWISUGSLWUSV-GOSISDBHSA-N 1 0 335.875 4.344 20 30 EIEDRO CCN(Cc1ccc(C#N)s1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000511667437 1023826042 /nfs/dbraw/zinc/82/60/42/1023826042.db2.gz OIUBGCLQOQPLDG-WMZOPIPTSA-N 1 0 339.508 4.277 20 30 EIEDRO CCN(Cc1cc(C#N)cs1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000511668111 1023828405 /nfs/dbraw/zinc/82/84/05/1023828405.db2.gz RLZAVZVXMXPTTA-APWZRJJASA-N 1 0 339.508 4.277 20 30 EIEDRO CC[NH+](CC)CCC[C@@H](C)Nc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000432114947 1023883786 /nfs/dbraw/zinc/88/37/86/1023883786.db2.gz FMZKVWNXKBXTKR-CYBMUJFWSA-N 1 0 346.425 4.307 20 30 EIEDRO N#Cc1cccc(OCC[NH2+][C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000341599075 1023922292 /nfs/dbraw/zinc/92/22/92/1023922292.db2.gz SUIBQYIBAJWLMH-QGZVFWFLSA-N 1 0 334.341 4.220 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC(Nc3nc(C)cs3)CC2)c1 ZINC000473077527 1023936061 /nfs/dbraw/zinc/93/60/61/1023936061.db2.gz VYNAYZQEFCDWQB-UHFFFAOYSA-N 1 0 343.496 4.093 20 30 EIEDRO CC(C)[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCCO2 ZINC000581973280 1023955989 /nfs/dbraw/zinc/95/59/89/1023955989.db2.gz GKFDCYDPJHLLBC-UGKGYDQZSA-N 1 0 348.446 4.304 20 30 EIEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1cc(F)cc(Br)c1 ZINC000430746373 1024004145 /nfs/dbraw/zinc/00/41/45/1024004145.db2.gz QBQPBJJRZHJGEE-CQSZACIVSA-N 1 0 325.225 4.323 20 30 EIEDRO C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430751572 1024009950 /nfs/dbraw/zinc/00/99/50/1024009950.db2.gz XIWCKAQSVVRWON-NWDGAFQWSA-N 1 0 327.255 4.433 20 30 EIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3(CC#N)CC3)s2)cc1 ZINC000430762941 1024016587 /nfs/dbraw/zinc/01/65/87/1024016587.db2.gz OVMYRKCLWWLCTD-ZDUSSCGKSA-N 1 0 341.480 4.472 20 30 EIEDRO CC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000549547769 1024255175 /nfs/dbraw/zinc/25/51/75/1024255175.db2.gz MCQHGVWWCYVMHJ-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO C[C@@H](c1ccccn1)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091702021 1024345166 /nfs/dbraw/zinc/34/51/66/1024345166.db2.gz GMFYVILYQYMIJV-AWEZNQCLSA-N 1 0 334.341 4.025 20 30 EIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341757424 1024601255 /nfs/dbraw/zinc/60/12/55/1024601255.db2.gz JCHGAGGBDAOWFH-SPLOXXLWSA-N 1 0 333.435 4.245 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000341761229 1024627734 /nfs/dbraw/zinc/62/77/34/1024627734.db2.gz OTDZEZFQHABGQJ-MGPUTAFESA-N 1 0 348.446 4.448 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(OC(F)F)c1 ZINC000341802816 1024726451 /nfs/dbraw/zinc/72/64/51/1024726451.db2.gz HOQAEIJCQJDULQ-SFHVURJKSA-N 1 0 328.362 4.327 20 30 EIEDRO N#CC1(F)CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000510905258 1024773115 /nfs/dbraw/zinc/77/31/15/1024773115.db2.gz OLAUDZPOVWFAJJ-HNQUOIGGSA-N 1 0 337.236 4.180 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2ccc(Br)cc2n1C ZINC000662091291 1024860218 /nfs/dbraw/zinc/86/02/18/1024860218.db2.gz WPTAZCUJXQRANI-OKILXGFUSA-N 1 0 346.272 4.019 20 30 EIEDRO CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000330250107 1024879699 /nfs/dbraw/zinc/87/96/99/1024879699.db2.gz HAEZIRWIIVBPBQ-CHWSQXEVSA-N 1 0 331.485 4.207 20 30 EIEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000662132331 1024881118 /nfs/dbraw/zinc/88/11/18/1024881118.db2.gz DCYSASMIVPNNEF-ALOPSCKCSA-N 1 0 335.451 4.001 20 30 EIEDRO CC[C@@H]([NH2+]CCc1ccc(NC(=O)OC)cc1)c1ccc(C#N)cc1 ZINC000278861009 1024988831 /nfs/dbraw/zinc/98/88/31/1024988831.db2.gz WIPLRDADQZJCOB-LJQANCHMSA-N 1 0 337.423 4.020 20 30 EIEDRO C=CCC1(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000188531349 1025016002 /nfs/dbraw/zinc/01/60/02/1025016002.db2.gz QBCPYWUBDRQOKC-HXUWFJFHSA-N 1 0 340.511 4.103 20 30 EIEDRO C=CC(C)(C)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000628313850 1025042334 /nfs/dbraw/zinc/04/23/34/1025042334.db2.gz DEIRAURQGYBVOB-UHFFFAOYSA-N 1 0 328.500 4.007 20 30 EIEDRO CN(C)[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000568144757 1025050405 /nfs/dbraw/zinc/05/04/05/1025050405.db2.gz ZAUCCCIZRQYOBT-VQTJNVASSA-N 1 0 339.870 4.091 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000610859509 1025073422 /nfs/dbraw/zinc/07/34/22/1025073422.db2.gz COLITUQHHCZLFZ-OAQYLSRUSA-N 1 0 344.462 4.215 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000535848252 1025117572 /nfs/dbraw/zinc/11/75/72/1025117572.db2.gz MJBSYFXOPZCLIN-JOCHJYFZSA-N 1 0 348.490 4.261 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610967569 1025172373 /nfs/dbraw/zinc/17/23/73/1025172373.db2.gz IFQUFWBISBCBDA-GOSISDBHSA-N 1 0 345.446 4.428 20 30 EIEDRO C=C[C@H](CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000181549588 1025242928 /nfs/dbraw/zinc/24/29/28/1025242928.db2.gz VUIXTNLYDGTNFH-NSHGMRRFSA-N 1 0 340.511 4.116 20 30 EIEDRO C[C@@H]1C[NH+](Cc2cccc(NCC(C)(C)CCC#N)c2)C[C@@H](C)O1 ZINC000151179582 1025271959 /nfs/dbraw/zinc/27/19/59/1025271959.db2.gz PEQLSWZFRBWART-IAGOWNOFSA-N 1 0 329.488 4.038 20 30 EIEDRO C=CC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000603837480 1025329861 /nfs/dbraw/zinc/32/98/61/1025329861.db2.gz XMUKIJWFKFDEOI-UHFFFAOYSA-N 1 0 332.856 4.340 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)c1ccc(C#N)cc1 ZINC000278903960 1025394865 /nfs/dbraw/zinc/39/48/65/1025394865.db2.gz ZNWVWSKGNGMSSA-QGZVFWFLSA-N 1 0 346.377 4.409 20 30 EIEDRO CC1(C)[C@@H]([NH2+]Cc2cc(C#N)cs2)C[C@@H]1OCc1ccccc1 ZINC000472044927 1025496064 /nfs/dbraw/zinc/49/60/64/1025496064.db2.gz VZGILTPIQNKQNQ-ROUUACIJSA-N 1 0 326.465 4.093 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000440068652 1025586445 /nfs/dbraw/zinc/58/64/45/1025586445.db2.gz DJZAYQQNIGGWQN-QKLQHJQFSA-N 1 0 330.903 4.029 20 30 EIEDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000569168300 1025603423 /nfs/dbraw/zinc/60/34/23/1025603423.db2.gz PEHOXJRJBCWZTR-QFIPXVFZSA-N 1 0 334.463 4.210 20 30 EIEDRO C=CCC[C@H](NC(=O)N(CC)CCC[NH+]1CCCC1)c1ccccc1 ZINC000472083260 1025711335 /nfs/dbraw/zinc/71/13/35/1025711335.db2.gz CRHHBWDJFCNIRW-FQEVSTJZSA-N 1 0 343.515 4.211 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000342280144 1025766404 /nfs/dbraw/zinc/76/64/04/1025766404.db2.gz DZVTUGMONHCDQC-UHFFFAOYSA-N 1 0 349.272 4.144 20 30 EIEDRO CC(C)Oc1ccc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)cc1 ZINC000104162005 1025777979 /nfs/dbraw/zinc/77/79/79/1025777979.db2.gz CJEZFPDDKDBGFW-UHFFFAOYSA-N 1 0 341.455 4.188 20 30 EIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926351657 1025793246 /nfs/dbraw/zinc/79/32/46/1025793246.db2.gz RPSNXTFWWQDPLM-IAGOWNOFSA-N 1 0 349.519 4.250 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000342303552 1025820350 /nfs/dbraw/zinc/82/03/50/1025820350.db2.gz OXTUIYBDHQJYCF-UHFFFAOYSA-N 1 0 329.469 4.142 20 30 EIEDRO CC(C)[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(C(C)(C)C)cc1 ZINC000585764895 1025827090 /nfs/dbraw/zinc/82/70/90/1025827090.db2.gz XXWZLFRYUIWRND-FQEVSTJZSA-N 1 0 327.516 4.259 20 30 EIEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(C(F)(F)F)c1 ZINC000585766683 1025828725 /nfs/dbraw/zinc/82/87/25/1025828725.db2.gz DVMDXDQFUCFNGN-GFCCVEGCSA-N 1 0 344.340 4.076 20 30 EIEDRO CC[NH+](CC)CCOc1ccc(CNc2ccc(C#N)cc2F)cc1 ZINC000506841734 1025856001 /nfs/dbraw/zinc/85/60/01/1025856001.db2.gz SXMNBPFJVQRHOO-UHFFFAOYSA-N 1 0 341.430 4.030 20 30 EIEDRO C[C@](C#N)(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1Cl ZINC001167967869 1025883994 /nfs/dbraw/zinc/88/39/94/1025883994.db2.gz JXEHFTIKVRWCTL-KVMCETHSSA-N 1 0 343.902 4.074 20 30 EIEDRO C[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC(C)(C)C1 ZINC000344082856 1025976631 /nfs/dbraw/zinc/97/66/31/1025976631.db2.gz SDLCFNCWKOWMGV-MRXNPFEDSA-N 1 0 337.467 4.106 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)C1 ZINC000472140235 1025982332 /nfs/dbraw/zinc/98/23/32/1025982332.db2.gz MWBDFTJJXAFOFJ-OIISXLGYSA-N 1 0 337.492 4.197 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)cs1 ZINC000894534724 1026160704 /nfs/dbraw/zinc/16/07/04/1026160704.db2.gz SULLSXCWZRSRNB-UHFFFAOYSA-N 1 0 341.411 4.280 20 30 EIEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](CCCC1CCCCC1)CC2 ZINC001207606332 1026173500 /nfs/dbraw/zinc/17/35/00/1026173500.db2.gz JHBIJAIZRBWDIO-UHFFFAOYSA-N 1 0 334.504 4.067 20 30 EIEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551529743 1026207495 /nfs/dbraw/zinc/20/74/95/1026207495.db2.gz HOLYCORWGHGWOC-HXUWFJFHSA-N 1 0 332.451 4.391 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000512177547 1026238134 /nfs/dbraw/zinc/23/81/34/1026238134.db2.gz FCHDIMQUYGVTQA-LJQANCHMSA-N 1 0 331.843 4.491 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2ccc(F)c(F)c2F)c1 ZINC000344323111 1026242401 /nfs/dbraw/zinc/24/24/01/1026242401.db2.gz HTLMSZIAZHPKOM-UHFFFAOYSA-N 1 0 348.368 4.119 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)cc1 ZINC000894669001 1026304067 /nfs/dbraw/zinc/30/40/67/1026304067.db2.gz WJQPWXLAKVQNHV-UHFFFAOYSA-N 1 0 342.464 4.366 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000121640787 1026328023 /nfs/dbraw/zinc/32/80/23/1026328023.db2.gz CRCYRVDAMWQXAK-HZPDHXFCSA-N 1 0 336.435 4.069 20 30 EIEDRO CC(C)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000540414648 1026374672 /nfs/dbraw/zinc/37/46/72/1026374672.db2.gz CIDPLLJLMIAZRL-UHFFFAOYSA-N 1 0 341.842 4.065 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000150880191 1026424264 /nfs/dbraw/zinc/42/42/64/1026424264.db2.gz LJTJHKBKPCOZTC-HNNXBMFYSA-N 1 0 337.389 4.032 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](CCSc3ccccc3)CC2)cc1 ZINC000344578734 1026462223 /nfs/dbraw/zinc/46/22/23/1026462223.db2.gz AKHUMPRPMQVIRP-UHFFFAOYSA-N 1 0 338.476 4.194 20 30 EIEDRO CCCOc1ccc(C[NH+]2CCC(CCC#N)CC2)cc1OCC ZINC000582361272 1026486176 /nfs/dbraw/zinc/48/61/76/1026486176.db2.gz XTXIBSWIULZDPP-UHFFFAOYSA-N 1 0 330.472 4.390 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244663 1026569943 /nfs/dbraw/zinc/56/99/43/1026569943.db2.gz OSYJFAOBMLPHBW-WMZHIEFXSA-N 1 0 345.490 4.217 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1 ZINC000127616663 1026601397 /nfs/dbraw/zinc/60/13/97/1026601397.db2.gz ONWLEOSVPDVDOY-PEBXRYMYSA-N 1 0 343.920 4.016 20 30 EIEDRO N#CCC[C@@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000344835372 1026635210 /nfs/dbraw/zinc/63/52/10/1026635210.db2.gz UBHYBMBFKQJESH-GOSISDBHSA-N 1 0 334.448 4.340 20 30 EIEDRO Cn1cc(-c2ccc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)s2)cn1 ZINC000338921522 1026642982 /nfs/dbraw/zinc/64/29/82/1026642982.db2.gz UFSGMWWGQSSGOT-UHFFFAOYSA-N 1 0 348.475 4.185 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000507165530 1026671542 /nfs/dbraw/zinc/67/15/42/1026671542.db2.gz QQXPQMZUTCNGFF-UHFFFAOYSA-N 1 0 331.419 4.278 20 30 EIEDRO CCC1(O)CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000277646998 1026718425 /nfs/dbraw/zinc/71/84/25/1026718425.db2.gz IALMACOHXIXJPK-UHFFFAOYSA-N 1 0 348.490 4.123 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CCN1Cc1ccccc1 ZINC000562082606 1026766283 /nfs/dbraw/zinc/76/62/83/1026766283.db2.gz QIEFPVHLSVTHJD-FHZYATBESA-N 1 0 345.490 4.188 20 30 EIEDRO CC[NH+](CC)Cc1ccc(CNc2c(F)cc(C#N)cc2F)cc1 ZINC000500506355 1026804671 /nfs/dbraw/zinc/80/46/71/1026804671.db2.gz WPIONNXHBUKJST-UHFFFAOYSA-N 1 0 329.394 4.290 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCCC1(C)C ZINC000277721407 1026835858 /nfs/dbraw/zinc/83/58/58/1026835858.db2.gz JEKYOBAKBREKOY-QGZVFWFLSA-N 1 0 336.439 4.175 20 30 EIEDRO N#Cc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc2ccccc12 ZINC000427388118 1026839190 /nfs/dbraw/zinc/83/91/90/1026839190.db2.gz ANRPYGPGCJAKEH-SFHVURJKSA-N 1 0 348.494 4.199 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277727028 1026841760 /nfs/dbraw/zinc/84/17/60/1026841760.db2.gz GRDSOFZXFLKMJT-SWLSCSKDSA-N 1 0 348.372 4.241 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277727026 1026841905 /nfs/dbraw/zinc/84/19/05/1026841905.db2.gz GRDSOFZXFLKMJT-IUODEOHRSA-N 1 0 348.372 4.241 20 30 EIEDRO C=C(C)CN(CC)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000611686676 1026918013 /nfs/dbraw/zinc/91/80/13/1026918013.db2.gz PJMROLHLCUMWKJ-GOSISDBHSA-N 1 0 349.906 4.085 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)CC(C)(C)C)c1 ZINC000065588756 1026929163 /nfs/dbraw/zinc/92/91/63/1026929163.db2.gz YDLXLLXCYZJDER-UHFFFAOYSA-N 1 0 343.515 4.355 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519912441 1027044629 /nfs/dbraw/zinc/04/46/29/1027044629.db2.gz UTQKPJXYKWCVFL-JOCHJYFZSA-N 1 0 348.490 4.113 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000342813717 1027109005 /nfs/dbraw/zinc/10/90/05/1027109005.db2.gz JVBCRVXOTPGEML-KRWDZBQOSA-N 1 0 343.377 4.112 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000342815983 1027122076 /nfs/dbraw/zinc/12/20/76/1027122076.db2.gz RYIQYMUZERTCLV-INIZCTEOSA-N 1 0 328.419 4.084 20 30 EIEDRO Clc1ccccc1C#CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000441150716 1027310659 /nfs/dbraw/zinc/31/06/59/1027310659.db2.gz GJKQEGYSBMSZGL-LJQANCHMSA-N 1 0 339.866 4.230 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CC[C@@]4(CC(F)(F)C4(F)F)C3)cc2)CC1 ZINC000896225205 1027343495 /nfs/dbraw/zinc/34/34/95/1027343495.db2.gz VEYWIWSLMITTPR-MRXNPFEDSA-N 1 0 338.348 4.108 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(-c3ccncc3)cc2F)CCOCC1 ZINC000657632889 1027348301 /nfs/dbraw/zinc/34/83/01/1027348301.db2.gz AYHWAUNPHVRHCO-UHFFFAOYSA-N 1 0 326.415 4.103 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC#Cc2ccccc2Cl)C1 ZINC000441265228 1027408069 /nfs/dbraw/zinc/40/80/69/1027408069.db2.gz RWQMTDWDTXOTMQ-LMMKCTJWSA-N 1 0 330.903 4.029 20 30 EIEDRO COc1ccccc1C[C@H]([NH2+]Cc1cccc(F)c1C#N)C(C)C ZINC000428350864 1027433369 /nfs/dbraw/zinc/43/33/69/1027433369.db2.gz ZIEZLOPAMITGBH-IBGZPJMESA-N 1 0 326.415 4.063 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(COC)cs2)ccc1OC ZINC000657659246 1027440234 /nfs/dbraw/zinc/44/02/34/1027440234.db2.gz UFHSFLZKYZDUEV-UHFFFAOYSA-N 1 0 347.480 4.148 20 30 EIEDRO Cc1ccc(CCC[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cn1 ZINC000474815158 1027537243 /nfs/dbraw/zinc/53/72/43/1027537243.db2.gz DRWGGCIPXGZJAW-UHFFFAOYSA-N 1 0 349.478 4.174 20 30 EIEDRO Cc1ccn2cc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)nc2c1 ZINC000582880320 1027562586 /nfs/dbraw/zinc/56/25/86/1027562586.db2.gz JSBJFCBOUHPWRU-HXUWFJFHSA-N 1 0 330.435 4.072 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000544039513 1027571917 /nfs/dbraw/zinc/57/19/17/1027571917.db2.gz KTXHGKLHQAQBOO-JRGCBEDISA-N 1 0 348.494 4.474 20 30 EIEDRO CCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)c1ccc(C#N)cc1 ZINC000151924884 1027613268 /nfs/dbraw/zinc/61/32/68/1027613268.db2.gz TXBLZVFJWKXAHI-UHFFFAOYSA-N 1 0 349.478 4.455 20 30 EIEDRO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1 ZINC000329156559 1027616143 /nfs/dbraw/zinc/61/61/43/1027616143.db2.gz VSBCDZCKJUFZCQ-GJZGRUSLSA-N 1 0 346.471 4.192 20 30 EIEDRO Cc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cnn1C1CCCCC1 ZINC000329258812 1027675472 /nfs/dbraw/zinc/67/54/72/1027675472.db2.gz AARPFFVWXAKQFK-ZNXRZULTSA-N 1 0 344.503 4.017 20 30 EIEDRO C[C@@H]1CCC[C@H](C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000507746612 1027728076 /nfs/dbraw/zinc/72/80/76/1027728076.db2.gz DOVVHJPNKPOECD-JLJREYHVSA-N 1 0 327.472 4.059 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000237870213 1027735353 /nfs/dbraw/zinc/73/53/53/1027735353.db2.gz SORJNXVINPIWNI-UHFFFAOYSA-N 1 0 328.337 4.328 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC000329387872 1027761899 /nfs/dbraw/zinc/76/18/99/1027761899.db2.gz RDFWNEQRLNRJCR-USXIJHARSA-N 1 0 332.492 4.413 20 30 EIEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193076969 1027785644 /nfs/dbraw/zinc/78/56/44/1027785644.db2.gz QHURZEGOHSRXLR-UGKGYDQZSA-N 1 0 348.490 4.122 20 30 EIEDRO N#C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@]12c1ccccc1NC2=O ZINC000328684212 1027796832 /nfs/dbraw/zinc/79/68/32/1027796832.db2.gz PONXAOYSMQMWKZ-BSLALVQMSA-N 1 0 343.430 4.059 20 30 EIEDRO Cc1ccc(NC(=[NH2+])NCCc2csc(C(C)(C)C)n2)cc1C ZINC000305731486 1027806554 /nfs/dbraw/zinc/80/65/54/1027806554.db2.gz USCVHUMQUWNVBY-UHFFFAOYSA-N 1 0 330.501 4.027 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000536302069 1027859820 /nfs/dbraw/zinc/85/98/20/1027859820.db2.gz JXQHSSPNFFLFSS-QGZVFWFLSA-N 1 0 325.283 4.221 20 30 EIEDRO N#CC1(c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CCCCC1 ZINC000329599739 1027870797 /nfs/dbraw/zinc/87/07/97/1027870797.db2.gz WWGNVWUDEVBUAB-UHFFFAOYSA-N 1 0 336.439 4.058 20 30 EIEDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444596583 1027880748 /nfs/dbraw/zinc/88/07/48/1027880748.db2.gz LQJCZZLVSYSTDI-DENIHFKCSA-N 1 0 348.490 4.122 20 30 EIEDRO CC(C)(C#N)CCCCN1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444593826 1027881291 /nfs/dbraw/zinc/88/12/91/1027881291.db2.gz HNWZWHMBMGBOJN-UHFFFAOYSA-N 1 0 332.536 4.044 20 30 EIEDRO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCCCC(C)(C)C#N)cn1 ZINC000444647804 1027915390 /nfs/dbraw/zinc/91/53/90/1027915390.db2.gz FUUHPBXYAHHQPM-LJQANCHMSA-N 1 0 342.462 4.300 20 30 EIEDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444660649 1027932002 /nfs/dbraw/zinc/93/20/02/1027932002.db2.gz KADUHJNXDPNTFL-KNQAVFIVSA-N 1 0 348.490 4.122 20 30 EIEDRO CCN(CC)C(=O)CCC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444682961 1027967012 /nfs/dbraw/zinc/96/70/12/1027967012.db2.gz CHHYUTOQBDDPPP-UHFFFAOYSA-N 1 0 335.536 4.067 20 30 EIEDRO N#CC(CC[NH2+][C@@H]1CCO[C@@H]1C1CC1)(c1ccccc1)c1ccccc1 ZINC000444691562 1027975712 /nfs/dbraw/zinc/97/57/12/1027975712.db2.gz AAVVDHJBBVHWBD-FGZHOGPDSA-N 1 0 346.474 4.043 20 30 EIEDRO C[C@H]1OCC[C@@]1(C)[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444705219 1027991197 /nfs/dbraw/zinc/99/11/97/1027991197.db2.gz MKCXNANOGGDDJD-WIYYLYMNSA-N 1 0 334.463 4.043 20 30 EIEDRO CC(C)(C)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000522556280 1028001016 /nfs/dbraw/zinc/00/10/16/1028001016.db2.gz XGRXNDQULAMXSI-SFHVURJKSA-N 1 0 341.499 4.081 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000444736572 1028011089 /nfs/dbraw/zinc/01/10/89/1028011089.db2.gz AEXHEBISXLQDHZ-ZDUSSCGKSA-N 1 0 345.240 4.050 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc(Br)cc1 ZINC000444738716 1028011963 /nfs/dbraw/zinc/01/19/63/1028011963.db2.gz CWTRWPYCBPRKDS-ZDUSSCGKSA-N 1 0 345.240 4.050 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3cccc(Cl)c3)C1)CC2 ZINC000583114124 1028027318 /nfs/dbraw/zinc/02/73/18/1028027318.db2.gz WUFQPOHSYWDGBV-YLJYHZDGSA-N 1 0 337.854 4.067 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3cccc(Cl)c3)C1)CC2 ZINC000583114123 1028027682 /nfs/dbraw/zinc/02/76/82/1028027682.db2.gz WUFQPOHSYWDGBV-XLIONFOSSA-N 1 0 337.854 4.067 20 30 EIEDRO Fc1ccc(C#CC[NH+]2CCC(Cc3ccccc3F)CC2)cc1 ZINC001167653904 1028051191 /nfs/dbraw/zinc/05/11/91/1028051191.db2.gz ULGBEGXCOIXBJW-UHFFFAOYSA-N 1 0 325.402 4.271 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2csc(-c3ncccn3)n2)CCCC1(C)C ZINC000444775904 1028059138 /nfs/dbraw/zinc/05/91/38/1028059138.db2.gz AXUGTQZNEOENHL-OAHLLOKOSA-N 1 0 328.485 4.167 20 30 EIEDRO C[C@H]([NH2+]C1(CNC(=O)[C@]2(C)CCCOC2)CCCC1)c1ccccc1 ZINC000329711060 1028066225 /nfs/dbraw/zinc/06/62/25/1028066225.db2.gz OBVNOXXKQVZYAA-FXAWDEMLSA-N 1 0 344.499 4.423 20 30 EIEDRO C=CC[C@@H]1[N@H+](Cc2nnc(-c3ccc(OC)cc3)o2)CCCC1(C)C ZINC000444784972 1028073543 /nfs/dbraw/zinc/07/35/43/1028073543.db2.gz WZQIBBKSVKSARV-KRWDZBQOSA-N 1 0 341.455 4.312 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000439594687 1028083876 /nfs/dbraw/zinc/08/38/76/1028083876.db2.gz XGFJMCCPNXHJLW-QWHCGFSZSA-N 1 0 333.863 4.097 20 30 EIEDRO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000150786651 1028106340 /nfs/dbraw/zinc/10/63/40/1028106340.db2.gz XSXBZYXPXQHHQK-RXVVDRJESA-N 1 0 340.511 4.266 20 30 EIEDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1C#N ZINC000440623588 1028235951 /nfs/dbraw/zinc/23/59/51/1028235951.db2.gz HGEWANSCNZXUFZ-DOMZBBRYSA-N 1 0 326.362 4.025 20 30 EIEDRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000330253436 1028238839 /nfs/dbraw/zinc/23/88/39/1028238839.db2.gz IWJFXQAITCMOHF-MJEQTWJJSA-N 1 0 336.863 4.090 20 30 EIEDRO CC1(C)c2cc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc2NC1=O ZINC000330266265 1028240131 /nfs/dbraw/zinc/24/01/31/1028240131.db2.gz PWPHBZZEHDWNFB-UHFFFAOYSA-N 1 0 343.471 4.180 20 30 EIEDRO CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330264634 1028242523 /nfs/dbraw/zinc/24/25/23/1028242523.db2.gz YDWAUVKVEBKPAM-CYBMUJFWSA-N 1 0 331.485 4.351 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000330271732 1028246510 /nfs/dbraw/zinc/24/65/10/1028246510.db2.gz WKPNMKLGQSIQEH-FGEZKYSXSA-N 1 0 343.254 4.127 20 30 EIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000346091717 1028251761 /nfs/dbraw/zinc/25/17/61/1028251761.db2.gz YKEJIEDXTMLHRG-CQSZACIVSA-N 1 0 348.425 4.351 20 30 EIEDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)N2CCCC2)o1 ZINC000346145280 1028280014 /nfs/dbraw/zinc/28/00/14/1028280014.db2.gz UXPAWCIEORGECB-BEFAXECRSA-N 1 0 341.430 4.087 20 30 EIEDRO COc1cc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)ccc1C#N ZINC000440638567 1028289094 /nfs/dbraw/zinc/28/90/94/1028289094.db2.gz OILFBBVPIJZFSH-HUUCEWRRSA-N 1 0 326.362 4.025 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000278165847 1028359698 /nfs/dbraw/zinc/35/96/98/1028359698.db2.gz CCYZNNHBURQQCP-MGPUTAFESA-N 1 0 349.434 4.317 20 30 EIEDRO C[C@]1(c2ccccc2)CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281138787 1028408208 /nfs/dbraw/zinc/40/82/08/1028408208.db2.gz ALPLUVQMKJUJFO-FQEVSTJZSA-N 1 0 326.484 4.141 20 30 EIEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000346378229 1028409266 /nfs/dbraw/zinc/40/92/66/1028409266.db2.gz XYDBZSWVJVGNRM-LJQANCHMSA-N 1 0 336.483 4.332 20 30 EIEDRO C=CC[C@H]1N(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCC1(C)C ZINC000445266402 1028431790 /nfs/dbraw/zinc/43/17/90/1028431790.db2.gz PHDBVKXYXWCKNQ-QGZVFWFLSA-N 1 0 335.536 4.026 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)c1 ZINC000523863658 1028435216 /nfs/dbraw/zinc/43/52/16/1028435216.db2.gz VLLWABOCFUTDPD-LJQANCHMSA-N 1 0 340.442 4.149 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000155506977 1028445088 /nfs/dbraw/zinc/44/50/88/1028445088.db2.gz HLGJEGGKZCIBMD-HXUWFJFHSA-N 1 0 335.451 4.040 20 30 EIEDRO C=CCCCC[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000583297415 1028462754 /nfs/dbraw/zinc/46/27/54/1028462754.db2.gz SJTIIJLEMGZMAS-HXUWFJFHSA-N 1 0 343.492 4.125 20 30 EIEDRO CC(C)Oc1ccccc1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000524156152 1028723987 /nfs/dbraw/zinc/72/39/87/1028723987.db2.gz NNBQWWWBYUCJHT-UHFFFAOYSA-N 1 0 349.478 4.058 20 30 EIEDRO Cc1ccc(C#N)c(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000346855443 1028793611 /nfs/dbraw/zinc/79/36/11/1028793611.db2.gz VFIPKXLRVDDABM-MRXNPFEDSA-N 1 0 334.467 4.106 20 30 EIEDRO COc1cc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)ccc1C#N ZINC000440817394 1028802754 /nfs/dbraw/zinc/80/27/54/1028802754.db2.gz CGIMSGWWPHEBCU-UHFFFAOYSA-N 1 0 339.826 4.034 20 30 EIEDRO Cc1oc(C(C)C)nc1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000329176063 1028810988 /nfs/dbraw/zinc/81/09/88/1028810988.db2.gz MHZZAUJBRXMRPB-UHFFFAOYSA-N 1 0 347.503 4.454 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1Br ZINC000034992244 1028856627 /nfs/dbraw/zinc/85/66/27/1028856627.db2.gz VUCIKXQDXGRUAJ-ZDUSSCGKSA-N 1 0 345.240 4.202 20 30 EIEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281869169 1028900768 /nfs/dbraw/zinc/90/07/68/1028900768.db2.gz CDBIAWVJLQZDFD-ICSRJNTNSA-N 1 0 326.484 4.040 20 30 EIEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281869175 1028901560 /nfs/dbraw/zinc/90/15/60/1028901560.db2.gz CDBIAWVJLQZDFD-UYAOXDASSA-N 1 0 326.484 4.040 20 30 EIEDRO CCCn1nc(C)c(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1C ZINC000151071924 1028960566 /nfs/dbraw/zinc/96/05/66/1028960566.db2.gz UJORFEWABYDDHQ-UHFFFAOYSA-N 1 0 349.400 4.070 20 30 EIEDRO N#CC1(CCC[N@@H+]2CC[C@H](CSc3ccccc3)C2)CCOCC1 ZINC000281923553 1028966346 /nfs/dbraw/zinc/96/63/46/1028966346.db2.gz HJQSASQQTXYANH-SFHVURJKSA-N 1 0 344.524 4.201 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000278365564 1029013976 /nfs/dbraw/zinc/01/39/76/1029013976.db2.gz BSDFJUAIMHIZKE-OVZMXSCWSA-N 1 0 327.255 4.087 20 30 EIEDRO N#CC1(CCC[NH2+]C2(c3ccc(F)cc3F)CCCC2)CCOCC1 ZINC000281983391 1029037103 /nfs/dbraw/zinc/03/71/03/1029037103.db2.gz MFMKULDNSNECNZ-UHFFFAOYSA-N 1 0 348.437 4.424 20 30 EIEDRO CC1=C[C@@H](C)C[C@H](C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000583722262 1029089569 /nfs/dbraw/zinc/08/95/69/1029089569.db2.gz OYQAJKMOZASXGK-SJLMPALBSA-N 1 0 339.483 4.225 20 30 EIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000444240195 1029103377 /nfs/dbraw/zinc/10/33/77/1029103377.db2.gz LQLYGVIIDGXTLN-NRFANRHFSA-N 1 0 349.478 4.148 20 30 EIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000444245716 1029110009 /nfs/dbraw/zinc/11/00/09/1029110009.db2.gz SXALTXXARFRHBM-FQEVSTJZSA-N 1 0 349.478 4.148 20 30 EIEDRO C[C@H]1CC(N(C)Cc2ccc(C#N)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053326 1029157506 /nfs/dbraw/zinc/15/75/06/1029157506.db2.gz NSVGKQCQMCINNC-OALUTQOASA-N 1 0 347.506 4.432 20 30 EIEDRO CCOc1cc(C[N@H+](C)CC(C)(C)CCC#N)ccc1OC(F)F ZINC000130429310 1029179009 /nfs/dbraw/zinc/17/90/09/1029179009.db2.gz LAKHCBVUCBPWKB-UHFFFAOYSA-N 1 0 340.414 4.448 20 30 EIEDRO COc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)ccc1OC(F)F ZINC000130480469 1029189974 /nfs/dbraw/zinc/18/99/74/1029189974.db2.gz HZWQLOMRQBMTTQ-INIZCTEOSA-N 1 0 346.377 4.431 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000524801805 1029229832 /nfs/dbraw/zinc/22/98/32/1029229832.db2.gz NEFSHNQSXAHQDE-FQEVSTJZSA-N 1 0 343.515 4.039 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000158090116 1029307712 /nfs/dbraw/zinc/30/77/12/1029307712.db2.gz AAYMWYFETKAARS-UHFFFAOYSA-N 1 0 329.875 4.018 20 30 EIEDRO C[N@H+](Cc1ccccc1NC(=O)CC(C)(C)C#N)C1CCCCC1 ZINC000278487060 1029336782 /nfs/dbraw/zinc/33/67/82/1029336782.db2.gz KVHGXWIAXPQGGU-UHFFFAOYSA-N 1 0 327.472 4.329 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@@H](CC)c1ccc(Br)cc1Cl ZINC000343490802 1029356512 /nfs/dbraw/zinc/35/65/12/1029356512.db2.gz AYBAFJLOXQQJAN-RISCZKNCSA-N 1 0 332.669 4.080 20 30 EIEDRO C[C@@H]1C[C@@H](N(CC#N)Cc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058104 1029358075 /nfs/dbraw/zinc/35/80/75/1029358075.db2.gz AZCLLNCZCQLXFN-JHDGKUDLSA-N 1 0 347.506 4.454 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2(C(F)F)CC2)c1 ZINC000475222889 1029454335 /nfs/dbraw/zinc/45/43/35/1029454335.db2.gz GSVOBJFBYGLSGH-UHFFFAOYSA-N 1 0 342.389 4.272 20 30 EIEDRO C[N@H+](Cc1cccc(F)c1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000428447052 1029455497 /nfs/dbraw/zinc/45/54/97/1029455497.db2.gz LFSNABQRZBPGOQ-YLJYHZDGSA-N 1 0 342.389 4.189 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000278592678 1029560483 /nfs/dbraw/zinc/56/04/83/1029560483.db2.gz DKRCVIDPPIDYOC-UHFFFAOYSA-N 1 0 340.446 4.090 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1cccc(C#N)c1)CCCS2 ZINC000343605232 1029583266 /nfs/dbraw/zinc/58/32/66/1029583266.db2.gz OHGWWORZHIRITC-IBGZPJMESA-N 1 0 338.476 4.326 20 30 EIEDRO COc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000262489268 1029632103 /nfs/dbraw/zinc/63/21/03/1029632103.db2.gz UHYXIFODDSUZJK-SAZUREKKSA-N 1 0 329.831 4.021 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000049596038 1029654232 /nfs/dbraw/zinc/65/42/32/1029654232.db2.gz VQSMWFCPADSZLK-ZDUSSCGKSA-N 1 0 345.240 4.050 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000657841738 1029751437 /nfs/dbraw/zinc/75/14/37/1029751437.db2.gz JGMYWFRQCKZZCP-WOJBJXKFSA-N 1 0 326.484 4.034 20 30 EIEDRO C=CC[NH+]1CCC(Nc2ccc3cccc(Br)c3n2)CC1 ZINC000301702400 1029793689 /nfs/dbraw/zinc/79/36/89/1029793689.db2.gz UGUDTTFWSDMDGD-UHFFFAOYSA-N 1 0 346.272 4.060 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1C#N ZINC000480300077 1029826725 /nfs/dbraw/zinc/82/67/25/1029826725.db2.gz HHOFRXGHYWPMBA-SJLPKXTDSA-N 1 0 347.384 4.341 20 30 EIEDRO C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441243458 1029983921 /nfs/dbraw/zinc/98/39/21/1029983921.db2.gz JAYLCONTVDCQPK-JKSUJKDBSA-N 1 0 342.870 4.026 20 30 EIEDRO C[C@@H](O)C[N@H+](Cc1ccccc1C#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441243058 1029986657 /nfs/dbraw/zinc/98/66/57/1029986657.db2.gz WDEPROCLFKZXOP-HZPDHXFCSA-N 1 0 342.870 4.026 20 30 EIEDRO C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCCC(C)(C)C#N ZINC000447387133 1030070363 /nfs/dbraw/zinc/07/03/63/1030070363.db2.gz SXNRLRHHOVLJAP-QGZVFWFLSA-N 1 0 336.483 4.075 20 30 EIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000282029541 1030092376 /nfs/dbraw/zinc/09/23/76/1030092376.db2.gz PWXKJNCZKCFEHP-AWEZNQCLSA-N 1 0 340.389 4.457 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)o1 ZINC000447528503 1030123428 /nfs/dbraw/zinc/12/34/28/1030123428.db2.gz HUDARFFJOYUOCA-RHSMWYFYSA-N 1 0 341.430 4.227 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCCN(c2cccc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447536927 1030142518 /nfs/dbraw/zinc/14/25/18/1030142518.db2.gz RIKZQPWREOUKLR-SIKLNZKXSA-N 1 0 349.478 4.277 20 30 EIEDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000447545281 1030150675 /nfs/dbraw/zinc/15/06/75/1030150675.db2.gz QRRNWJKQZDZODO-UTKZUKDTSA-N 1 0 337.442 4.265 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c(F)c1 ZINC000179109728 1030155907 /nfs/dbraw/zinc/15/59/07/1030155907.db2.gz MKFBEIGDMOMWET-HXUWFJFHSA-N 1 0 336.410 4.190 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccc(C#N)cc1 ZINC000447564519 1030174687 /nfs/dbraw/zinc/17/46/87/1030174687.db2.gz XLEJSDMSFYXZAL-IFXJQAMLSA-N 1 0 336.435 4.131 20 30 EIEDRO CC[C@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1 ZINC000447583842 1030180695 /nfs/dbraw/zinc/18/06/95/1030180695.db2.gz CVEVZZHIVFGSLA-HNNXBMFYSA-N 1 0 349.356 4.092 20 30 EIEDRO C[C@@H]1CN(CCCC(C)(C)C#N)C(C)(C)C[N@@H+]1CCCC(C)(C)C#N ZINC000451080501 1030218175 /nfs/dbraw/zinc/21/81/75/1030218175.db2.gz JGVFDCCHJIWCSE-GOSISDBHSA-N 1 0 346.563 4.431 20 30 EIEDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000451140664 1030251990 /nfs/dbraw/zinc/25/19/90/1030251990.db2.gz CFUSYIJTHLCTKD-RRFJBIMHSA-N 1 0 332.410 4.138 20 30 EIEDRO C=C(C)[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(F)c(F)c1 ZINC000186446031 1030272722 /nfs/dbraw/zinc/27/27/22/1030272722.db2.gz OGYNKTNWHQDASX-QGZVFWFLSA-N 1 0 349.450 4.297 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000309636551 1030303705 /nfs/dbraw/zinc/30/37/05/1030303705.db2.gz MUDXVDXBFKVGJS-HSZRJFAPSA-N 1 0 342.442 4.294 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000685459573 1030361219 /nfs/dbraw/zinc/36/12/19/1030361219.db2.gz LQRSMIPMZGPPLU-UHFFFAOYSA-N 1 0 339.483 4.140 20 30 EIEDRO N#Cc1ccc(F)c(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000611938113 1030419109 /nfs/dbraw/zinc/41/91/09/1030419109.db2.gz JCOQYRRMVKOJTQ-OAQYLSRUSA-N 1 0 337.442 4.014 20 30 EIEDRO C=C(C)CN(CC)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000302876804 1030424874 /nfs/dbraw/zinc/42/48/74/1030424874.db2.gz PEWJYQXSLIQFQM-FQEVSTJZSA-N 1 0 338.451 4.273 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOc3c(C)cccc32)cc1OC ZINC000188872583 1030426842 /nfs/dbraw/zinc/42/68/42/1030426842.db2.gz JQOJNVBTEWZXRJ-GOSISDBHSA-N 1 0 339.435 4.182 20 30 EIEDRO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000127528705 1030459582 /nfs/dbraw/zinc/45/95/82/1030459582.db2.gz OJLDOIPWEUMHFX-FIKGOQFSSA-N 1 0 349.478 4.255 20 30 EIEDRO Cc1ccc(C#N)cc1NC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000480608137 1030503926 /nfs/dbraw/zinc/50/39/26/1030503926.db2.gz GBQXLCAYAJAJMD-UHFFFAOYSA-N 1 0 342.487 4.033 20 30 EIEDRO COc1ccc(OC2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000527190799 1030546572 /nfs/dbraw/zinc/54/65/72/1030546572.db2.gz LWPDQLFDHFEXDI-MRXNPFEDSA-N 1 0 336.435 4.171 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451630291 1030610385 /nfs/dbraw/zinc/61/03/85/1030610385.db2.gz SMDMZTPDZZVZGA-UXHICEINSA-N 1 0 338.495 4.269 20 30 EIEDRO C=CCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000527489887 1030724796 /nfs/dbraw/zinc/72/47/96/1030724796.db2.gz YGOFJIJKIBGPCO-AWEZNQCLSA-N 1 0 348.244 4.212 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000658061041 1030802337 /nfs/dbraw/zinc/80/23/37/1030802337.db2.gz RWTZIMCLCRDRJT-QGPMSJSTSA-N 1 0 330.472 4.439 20 30 EIEDRO Cc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000116360405 1030809406 /nfs/dbraw/zinc/80/94/06/1030809406.db2.gz UZFKFZXPKIVCTE-UHFFFAOYSA-N 1 0 344.462 4.105 20 30 EIEDRO C=CCC[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000658116360 1030829576 /nfs/dbraw/zinc/82/95/76/1030829576.db2.gz JTPIIIFEXCPUBL-CYBMUJFWSA-N 1 0 346.496 4.286 20 30 EIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191263321 1030836120 /nfs/dbraw/zinc/83/61/20/1030836120.db2.gz ZSRBJAYOZIXWLG-UHFFFAOYSA-N 1 0 332.451 4.066 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1OC ZINC000527771358 1030851150 /nfs/dbraw/zinc/85/11/50/1030851150.db2.gz HYKMERVZTUMWJP-OAQYLSRUSA-N 1 0 338.451 4.286 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(F)cc(Cl)c3)CCOCC2)cc1 ZINC000527808385 1030854789 /nfs/dbraw/zinc/85/47/89/1030854789.db2.gz GTEZLLKFCITORT-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)o1 ZINC000527810460 1030855189 /nfs/dbraw/zinc/85/51/89/1030855189.db2.gz IRRFDAHDEUOGDH-DNVCBOLYSA-N 1 0 336.435 4.070 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Cl)cc3F)CCOCC2)cc1 ZINC000527811967 1030856562 /nfs/dbraw/zinc/85/65/62/1030856562.db2.gz QKYMYJJGLKSPFJ-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO N#CCc1ccc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000612120840 1030942316 /nfs/dbraw/zinc/94/23/16/1030942316.db2.gz YUUYEIZBFWJJID-JOCHJYFZSA-N 1 0 333.479 4.069 20 30 EIEDRO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463488 1031079716 /nfs/dbraw/zinc/07/97/16/1031079716.db2.gz NMXVUXJQXBSOCN-SJORKVTESA-N 1 0 333.435 4.432 20 30 EIEDRO CCC[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccccn1 ZINC000179465380 1031079792 /nfs/dbraw/zinc/07/97/92/1031079792.db2.gz DHKSYBRPQOWDDP-SFHVURJKSA-N 1 0 325.481 4.317 20 30 EIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)cc1OC ZINC000531356375 1031110379 /nfs/dbraw/zinc/11/03/79/1031110379.db2.gz XPIHTWPPBKACMJ-CYBMUJFWSA-N 1 0 330.453 4.268 20 30 EIEDRO COc1cc(C[NH2+]Cc2cc(C#N)cs2)ccc1OC1CCCC1 ZINC000531356515 1031110954 /nfs/dbraw/zinc/11/09/54/1031110954.db2.gz SEQNLKPYBSBGIP-UHFFFAOYSA-N 1 0 342.464 4.240 20 30 EIEDRO C=C[C@H](CO)[NH2+]Cc1cc(F)ccc1Oc1ccc(Cl)cc1C ZINC001203207864 1031228315 /nfs/dbraw/zinc/22/83/15/1031228315.db2.gz NPZFNHJTCNYYSW-MRXNPFEDSA-N 1 0 335.806 4.216 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCc3sc(Br)cc32)c1 ZINC000293590168 1031322205 /nfs/dbraw/zinc/32/22/05/1031322205.db2.gz FKTNWDUGNTWPIO-ZDUSSCGKSA-N 1 0 333.254 4.159 20 30 EIEDRO C[C@@H](c1cccc(-c2ccncc2)c1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000364510724 1031328829 /nfs/dbraw/zinc/32/88/29/1031328829.db2.gz WATBMCILXJYSKN-INIZCTEOSA-N 1 0 330.435 4.152 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000897461117 1031391105 /nfs/dbraw/zinc/39/11/05/1031391105.db2.gz LLHSVAWDYKCWNE-OAHLLOKOSA-N 1 0 335.407 4.043 20 30 EIEDRO CCCn1ncnc1CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364810863 1031410311 /nfs/dbraw/zinc/41/03/11/1031410311.db2.gz PMQXEARMTPDYPT-MRXNPFEDSA-N 1 0 345.450 4.078 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000449091957 1031452832 /nfs/dbraw/zinc/45/28/32/1031452832.db2.gz RYYFNPBYROGMEX-UHFFFAOYSA-N 1 0 326.362 4.190 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000449124176 1031460985 /nfs/dbraw/zinc/46/09/85/1031460985.db2.gz ONBMYSBXDUMGJS-UHFFFAOYSA-N 1 0 346.902 4.450 20 30 EIEDRO C[C@H](Cc1ccccc1Br)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449182884 1031524032 /nfs/dbraw/zinc/52/40/32/1031524032.db2.gz DGAFAFXBSUIBNA-BZOOQXSSSA-N 1 0 335.289 4.442 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(COCC(F)(F)F)c2)CC1 ZINC000449201917 1031545375 /nfs/dbraw/zinc/54/53/75/1031545375.db2.gz JJUZCBUIQJPFMF-UHFFFAOYSA-N 1 0 340.389 4.328 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC000449220421 1031552375 /nfs/dbraw/zinc/55/23/75/1031552375.db2.gz QECLMHDOGDJABY-UHFFFAOYSA-N 1 0 335.451 4.223 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000375942983 1031564519 /nfs/dbraw/zinc/56/45/19/1031564519.db2.gz SCYCWGWJOUFLLS-LJQANCHMSA-N 1 0 339.483 4.154 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000449253420 1031570278 /nfs/dbraw/zinc/57/02/78/1031570278.db2.gz TWLPQHAZKDCTOV-KJFXSAIASA-N 1 0 336.838 4.371 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CCOC2)cc1F ZINC000365256368 1031573672 /nfs/dbraw/zinc/57/36/72/1031573672.db2.gz NCMNGZHPQJMTBS-LPHOPBHVSA-N 1 0 344.817 4.218 20 30 EIEDRO Cn1cc(C[N@H+](C)[C@H]2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000179905857 1031597269 /nfs/dbraw/zinc/59/72/69/1031597269.db2.gz LVIWXBLRRJLPDG-NRFANRHFSA-N 1 0 342.446 4.078 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H]2CCCS2)c1 ZINC000531789303 1031607549 /nfs/dbraw/zinc/60/75/49/1031607549.db2.gz YQTWAMADORZBIS-HXUWFJFHSA-N 1 0 338.476 4.122 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449318556 1031632463 /nfs/dbraw/zinc/63/24/63/1031632463.db2.gz HCUFSQVJVGBBSD-FBMNKOPTSA-N 1 0 326.484 4.400 20 30 EIEDRO CC[N@H+](CCc1ccccc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179932650 1031642684 /nfs/dbraw/zinc/64/26/84/1031642684.db2.gz SROJNVAFNUAHRU-UHFFFAOYSA-N 1 0 344.462 4.023 20 30 EIEDRO N#Cc1csc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000449368354 1031663769 /nfs/dbraw/zinc/66/37/69/1031663769.db2.gz HNTSBJKHUFIKKC-UHFFFAOYSA-N 1 0 338.354 4.297 20 30 EIEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1)CC1CCCCC1 ZINC000612580127 1031676210 /nfs/dbraw/zinc/67/62/10/1031676210.db2.gz RYWFXXNKXSDABG-QGZVFWFLSA-N 1 0 340.515 4.118 20 30 EIEDRO CC(F)(F)CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000449353937 1031677025 /nfs/dbraw/zinc/67/70/25/1031677025.db2.gz INBKXZWMDLRNSU-UHFFFAOYSA-N 1 0 330.378 4.272 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccccc2O1 ZINC000449426412 1031721700 /nfs/dbraw/zinc/72/17/00/1031721700.db2.gz PNAKVVXITLNMLZ-OXQOHEQNSA-N 1 0 336.435 4.371 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000449445604 1031738427 /nfs/dbraw/zinc/73/84/27/1031738427.db2.gz KJRWGYSEDBTJEU-JCGIZDLHSA-N 1 0 348.874 4.070 20 30 EIEDRO COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000502253109 1031773908 /nfs/dbraw/zinc/77/39/08/1031773908.db2.gz UHCIDDXYKLRWAR-HOTGVXAUSA-N 1 0 338.451 4.166 20 30 EIEDRO CN(Cc1ccccc1)C1(C[NH2+]C2CCC(C)(C#N)CC2)CCC1 ZINC000449476915 1031774210 /nfs/dbraw/zinc/77/42/10/1031774210.db2.gz OABOYNCLEYYFSY-UHFFFAOYSA-N 1 0 325.500 4.103 20 30 EIEDRO Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CC2 ZINC000453289040 1031809894 /nfs/dbraw/zinc/80/98/94/1031809894.db2.gz HPVCMHGZUCKJKP-VBNZEHGJSA-N 1 0 333.273 4.417 20 30 EIEDRO C[C@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000453296455 1031814871 /nfs/dbraw/zinc/81/48/71/1031814871.db2.gz YSSUXCULQKNOAA-UGSOOPFHSA-N 1 0 348.368 4.351 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000453298392 1031817324 /nfs/dbraw/zinc/81/73/24/1031817324.db2.gz XPGGJCRXCVHUGT-ZIBATOQPSA-N 1 0 337.236 4.247 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449548461 1031837731 /nfs/dbraw/zinc/83/77/31/1031837731.db2.gz NNNDUSOYVDDVCP-ZETOZRRWSA-N 1 0 337.236 4.247 20 30 EIEDRO COCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000449553887 1031841240 /nfs/dbraw/zinc/84/12/40/1031841240.db2.gz MYBFPMGSVIFQJC-KCXAZCMYSA-N 1 0 326.362 4.065 20 30 EIEDRO Cc1ccc(F)c(CC[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000449554107 1031842610 /nfs/dbraw/zinc/84/26/10/1031842610.db2.gz OUDDWJWQCZBKFS-UHFFFAOYSA-N 1 0 326.415 4.149 20 30 EIEDRO C=C(C)CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000453321986 1031849377 /nfs/dbraw/zinc/84/93/77/1031849377.db2.gz QCBWURODVZCNBF-QGZVFWFLSA-N 1 0 338.289 4.473 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000453322878 1031850977 /nfs/dbraw/zinc/85/09/77/1031850977.db2.gz ACXUTRAUUWGBQB-GDLCADMTSA-N 1 0 336.229 4.189 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1Cl ZINC000531940367 1031852813 /nfs/dbraw/zinc/85/28/13/1031852813.db2.gz SAORKUUJOVYAQK-CQSZACIVSA-N 1 0 341.842 4.027 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Br)cc1 ZINC000223705049 1031866824 /nfs/dbraw/zinc/86/68/24/1031866824.db2.gz UDDNEFCRAQAUSB-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000449624634 1031885646 /nfs/dbraw/zinc/88/56/46/1031885646.db2.gz NOYRPCBVFAHGQQ-SJLPKXTDSA-N 1 0 329.465 4.323 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](c3cccs3)C2)cc1 ZINC000449630096 1031891435 /nfs/dbraw/zinc/89/14/35/1031891435.db2.gz UWRXRKRXAPPCEF-AEFFLSMTSA-N 1 0 329.465 4.323 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(C4CCC4)CCC3)CC2)cc1 ZINC000453409568 1031943716 /nfs/dbraw/zinc/94/37/16/1031943716.db2.gz WLMIOLFEGMXCEM-UHFFFAOYSA-N 1 0 337.511 4.083 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1F ZINC000453392059 1031957998 /nfs/dbraw/zinc/95/79/98/1031957998.db2.gz UFPOKAQEOUXQEZ-YWZLYKJASA-N 1 0 342.389 4.094 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2CCC2)c1 ZINC000532686245 1031968442 /nfs/dbraw/zinc/96/84/42/1031968442.db2.gz GRHRIVDLHRHMNM-NRFANRHFSA-N 1 0 333.435 4.018 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000135165839 1032022720 /nfs/dbraw/zinc/02/27/20/1032022720.db2.gz PYARABRYPLZQPG-MRXNPFEDSA-N 1 0 325.481 4.324 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Br)cn1 ZINC000353650216 1032048665 /nfs/dbraw/zinc/04/86/65/1032048665.db2.gz BPQXQPXGQNLUQD-DIFFPNOSSA-N 1 0 342.240 4.054 20 30 EIEDRO C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512616843 1033521348 /nfs/dbraw/zinc/52/13/48/1033521348.db2.gz CZMITGYABRHJPH-NEPJUHHUSA-N 1 0 334.341 4.094 20 30 EIEDRO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1cccc(C#N)c1 ZINC000500872797 1033526210 /nfs/dbraw/zinc/52/62/10/1033526210.db2.gz UPOMLKOMIXHJOO-JOCHJYFZSA-N 1 0 347.506 4.121 20 30 EIEDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512635170 1033573895 /nfs/dbraw/zinc/57/38/95/1033573895.db2.gz GIXDPVFWUQLIAB-LSDHHAIUSA-N 1 0 342.414 4.072 20 30 EIEDRO CCCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512636290 1033577323 /nfs/dbraw/zinc/57/73/23/1033577323.db2.gz KYFYHWRRXAIRDQ-HNNXBMFYSA-N 1 0 326.415 4.475 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@@H](CC)C2)ccc1OC ZINC000236947835 1033585346 /nfs/dbraw/zinc/58/53/46/1033585346.db2.gz LOMYRBLJEQCDII-BPQIPLTHSA-N 1 0 330.472 4.435 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000614176816 1033594813 /nfs/dbraw/zinc/59/48/13/1033594813.db2.gz LEGAZARWJONCDH-UHFFFAOYSA-N 1 0 333.479 4.337 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(C#N)cc1F ZINC000512647149 1033598286 /nfs/dbraw/zinc/59/82/86/1033598286.db2.gz GPPMXESFBPRTQX-GJZGRUSLSA-N 1 0 334.398 4.295 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(-n2cccn2)cc1 ZINC000512653285 1033619768 /nfs/dbraw/zinc/61/97/68/1033619768.db2.gz DLKIYUAZNWRGKP-CABCVRRESA-N 1 0 334.398 4.295 20 30 EIEDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614182778 1033624101 /nfs/dbraw/zinc/62/41/01/1033624101.db2.gz XPWOAPQTUSLEBN-NRFANRHFSA-N 1 0 336.479 4.261 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512654724 1033629541 /nfs/dbraw/zinc/62/95/41/1033629541.db2.gz OFPCRFMKGYCVCD-CQSZACIVSA-N 1 0 326.415 4.334 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512662340 1033652417 /nfs/dbraw/zinc/65/24/17/1033652417.db2.gz WNIJWOXOQSXREW-FRQCXROJSA-N 1 0 337.442 4.183 20 30 EIEDRO N#CCCC[C@H](NCc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000433012369 1033652746 /nfs/dbraw/zinc/65/27/46/1033652746.db2.gz KDJLGGCYHPDZTL-SFHVURJKSA-N 1 0 332.407 4.261 20 30 EIEDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433019006 1033666663 /nfs/dbraw/zinc/66/66/63/1033666663.db2.gz HUACQXBPMFCZMB-GOSISDBHSA-N 1 0 339.395 4.128 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673191 1033680143 /nfs/dbraw/zinc/68/01/43/1033680143.db2.gz PGLQWQDYZSGXQR-RDTXWAMCSA-N 1 0 329.419 4.024 20 30 EIEDRO Cc1ccc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1F ZINC000433040022 1033709701 /nfs/dbraw/zinc/70/97/01/1033709701.db2.gz OOHUWUAZPNCIMS-IBGZPJMESA-N 1 0 339.414 4.097 20 30 EIEDRO Cc1ccc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1F ZINC000433040023 1033710980 /nfs/dbraw/zinc/71/09/80/1033710980.db2.gz OOHUWUAZPNCIMS-LJQANCHMSA-N 1 0 339.414 4.097 20 30 EIEDRO C=C(C)CC[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000419234915 1033819652 /nfs/dbraw/zinc/81/96/52/1033819652.db2.gz IQESIACLSPGBLH-FQEVSTJZSA-N 1 0 338.451 4.239 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000411476592 1033925250 /nfs/dbraw/zinc/92/52/50/1033925250.db2.gz BYHAHZNNCNALPH-MRXNPFEDSA-N 1 0 335.373 4.310 20 30 EIEDRO CCOc1cc(F)c(F)cc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001211797300 1033947676 /nfs/dbraw/zinc/94/76/76/1033947676.db2.gz ZTUIEHAEKYIZSZ-UHFFFAOYSA-N 1 0 349.406 4.028 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000178789229 1034123254 /nfs/dbraw/zinc/12/32/54/1034123254.db2.gz ZAAWZZJTTPDGAM-UHFFFAOYSA-N 1 0 338.304 4.037 20 30 EIEDRO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419319702 1034251884 /nfs/dbraw/zinc/25/18/84/1034251884.db2.gz CYPRVXTWKBXKAB-SJORKVTESA-N 1 0 338.455 4.255 20 30 EIEDRO CC[N@@H+](c1ccc(NCc2cnc3ccc(C#N)cn23)cc1)C(C)C ZINC000178800407 1034300062 /nfs/dbraw/zinc/30/00/62/1034300062.db2.gz LNVAKWKVEFJTFZ-UHFFFAOYSA-N 1 0 333.439 4.053 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000513078480 1034501082 /nfs/dbraw/zinc/50/10/82/1034501082.db2.gz XXQORADZSIXRLG-YTQUADARSA-N 1 0 326.465 4.061 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)Cc1cccc(Cl)c1 ZINC000052906536 1034795082 /nfs/dbraw/zinc/79/50/82/1034795082.db2.gz TYSPMIRRAOIQFU-UHFFFAOYSA-N 1 0 347.871 4.124 20 30 EIEDRO N#Cc1ccc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000513185178 1034831517 /nfs/dbraw/zinc/83/15/17/1034831517.db2.gz SGLVFPCYRXMKCF-IBGZPJMESA-N 1 0 325.843 4.461 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)c1 ZINC000429999961 1034848445 /nfs/dbraw/zinc/84/84/45/1034848445.db2.gz MPBNBPAFNJFABN-UHFFFAOYSA-N 1 0 326.827 4.290 20 30 EIEDRO COc1ccc(C#N)cc1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000513351344 1034887810 /nfs/dbraw/zinc/88/78/10/1034887810.db2.gz LBXYFLUTJJYDNS-KXBFYZLASA-N 1 0 327.472 4.022 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000182629355 1034965501 /nfs/dbraw/zinc/96/55/01/1034965501.db2.gz LPKSVOZWOYPLTL-CQSZACIVSA-N 1 0 336.391 4.043 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000513510964 1035005441 /nfs/dbraw/zinc/00/54/41/1035005441.db2.gz GVFDPJVUBICIGG-UHFFFAOYSA-N 1 0 346.824 4.489 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccco1 ZINC000513662683 1035096553 /nfs/dbraw/zinc/09/65/53/1035096553.db2.gz YRIDDMWZWTVOPR-GOEBONIOSA-N 1 0 331.847 4.204 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccco1 ZINC000513683278 1035099969 /nfs/dbraw/zinc/09/99/69/1035099969.db2.gz IWDRRKVNAJBGGY-RDJZCZTQSA-N 1 0 330.497 4.385 20 30 EIEDRO COc1ccc(C[N@H+](CCc2ccccn2)CCC(C)(C)C#N)cc1 ZINC000280297508 1035226119 /nfs/dbraw/zinc/22/61/19/1035226119.db2.gz FNRYUBVUQFIEIK-UHFFFAOYSA-N 1 0 337.467 4.075 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000280706422 1035327916 /nfs/dbraw/zinc/32/79/16/1035327916.db2.gz CXBNWVWLNLEDIE-FIKGOQFSSA-N 1 0 344.499 4.098 20 30 EIEDRO Cc1ccnc([C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000513712976 1035439982 /nfs/dbraw/zinc/43/99/82/1035439982.db2.gz IKFHNQKAYFNCHW-IPJUCJBFSA-N 1 0 335.451 4.303 20 30 EIEDRO CC(C)[C@@H](O)[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594988709 1035518218 /nfs/dbraw/zinc/51/82/18/1035518218.db2.gz BVZORDGWFHMMDN-NHCUHLMSSA-N 1 0 336.479 4.336 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCC(F)CC1 ZINC000594991039 1035521180 /nfs/dbraw/zinc/52/11/80/1035521180.db2.gz YDQAFPFTXHOKSG-ZLPCBKJTSA-N 1 0 329.463 4.033 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3cc(Br)ccc32)c(F)c1 ZINC000151140240 1035530702 /nfs/dbraw/zinc/53/07/02/1035530702.db2.gz DOIUZRGTTXNBSD-KRWDZBQOSA-N 1 0 345.215 4.237 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H](C)c1nc2ccccc2s1 ZINC000595055470 1035537171 /nfs/dbraw/zinc/53/71/71/1035537171.db2.gz FCLDOTNWEDMBOA-HUUCEWRRSA-N 1 0 335.476 4.492 20 30 EIEDRO C=CCCSCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000595061222 1035539800 /nfs/dbraw/zinc/53/98/00/1035539800.db2.gz YSKMKGIJXSBNHS-ZDUSSCGKSA-N 1 0 333.526 4.473 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)CC2 ZINC000595074374 1035589892 /nfs/dbraw/zinc/58/98/92/1035589892.db2.gz RGJVOKRWFAYCOX-IAGOWNOFSA-N 1 0 338.373 4.025 20 30 EIEDRO Cc1cc(Br)c(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000595079874 1035592770 /nfs/dbraw/zinc/59/27/70/1035592770.db2.gz HFZNJPREVNBMPN-OAHLLOKOSA-N 1 0 347.281 4.468 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000595076094 1035594255 /nfs/dbraw/zinc/59/42/55/1035594255.db2.gz DPUHUJBHLXYLBA-HOCLYGCPSA-N 1 0 333.273 4.054 20 30 EIEDRO CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000595094084 1035605025 /nfs/dbraw/zinc/60/50/25/1035605025.db2.gz BWGVPPOICPOKOU-KPOBHBOGSA-N 1 0 326.415 4.106 20 30 EIEDRO C[NH+](C)Cc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)s1 ZINC000904864227 1035649704 /nfs/dbraw/zinc/64/97/04/1035649704.db2.gz DPJNPTPDQODHGT-UHFFFAOYSA-N 1 0 326.465 4.048 20 30 EIEDRO N#Cc1ccc(CC[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000595481684 1035680404 /nfs/dbraw/zinc/68/04/04/1035680404.db2.gz FMMDACVOHLSVRL-GOSISDBHSA-N 1 0 349.261 4.121 20 30 EIEDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595485937 1035681484 /nfs/dbraw/zinc/68/14/84/1035681484.db2.gz ZNCAEJPSSFPVOW-LSDHHAIUSA-N 1 0 328.403 4.341 20 30 EIEDRO Cc1ccccc1[C@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000485116380 1035705077 /nfs/dbraw/zinc/70/50/77/1035705077.db2.gz CLDYMBNCSWFMEH-KRWDZBQOSA-N 1 0 347.462 4.278 20 30 EIEDRO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CC=CCC1 ZINC000485124238 1035716439 /nfs/dbraw/zinc/71/64/39/1035716439.db2.gz ASMHJRGGCDLTPZ-SFHVURJKSA-N 1 0 326.484 4.292 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ncc(C(F)(F)F)s2)c1 ZINC000905078434 1035721868 /nfs/dbraw/zinc/72/18/68/1035721868.db2.gz RJCVDMHENWGVNH-VOTSOKGWSA-N 1 0 340.370 4.120 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2cccc(OCCCC#N)c2)c1 ZINC000905078863 1035722254 /nfs/dbraw/zinc/72/22/54/1035722254.db2.gz XUWCBXOSFKDGNW-QXMHVHEDSA-N 1 0 348.446 4.327 20 30 EIEDRO N#CC1(CCC[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)CCOCC1 ZINC000595678310 1035766762 /nfs/dbraw/zinc/76/67/62/1035766762.db2.gz XWZMAYZSCUROFR-GOSISDBHSA-N 1 0 328.456 4.297 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000595790211 1035791385 /nfs/dbraw/zinc/79/13/85/1035791385.db2.gz VBOZXQILEPVZBU-UYAOXDASSA-N 1 0 326.484 4.269 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CC3CCC3)o2)c1 ZINC000595870690 1035804489 /nfs/dbraw/zinc/80/44/89/1035804489.db2.gz JJZDIKAFJRZAEG-GOSISDBHSA-N 1 0 336.439 4.153 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cn1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595869057 1035804865 /nfs/dbraw/zinc/80/48/65/1035804865.db2.gz UBTXJBUKPGNDHY-AWEZNQCLSA-N 1 0 347.384 4.425 20 30 EIEDRO C[C@@H](CNc1cccc(Cl)c1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000502106564 1035850927 /nfs/dbraw/zinc/85/09/27/1035850927.db2.gz COVAZLPYMSBNHU-AWEZNQCLSA-N 1 0 325.843 4.070 20 30 EIEDRO Cc1cc(N2CCC[C@@H](CC#N)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000596331848 1035853478 /nfs/dbraw/zinc/85/34/78/1035853478.db2.gz UQTFNEIPKLAKOG-ZDUSSCGKSA-N 1 0 331.366 4.275 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000513732716 1035870721 /nfs/dbraw/zinc/87/07/21/1035870721.db2.gz JEOYZFWZMFTHMX-DENIHFKCSA-N 1 0 332.447 4.205 20 30 EIEDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)c2ccccc21)c1ccc(C#N)cc1Cl ZINC000366743028 1035905962 /nfs/dbraw/zinc/90/59/62/1035905962.db2.gz JOZMESBEDCKADP-PJFSTRORSA-N 1 0 326.827 4.083 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc(OC(F)F)c1 ZINC000618807411 1035962495 /nfs/dbraw/zinc/96/24/95/1035962495.db2.gz UKFLKAJIVAXACH-KZULUSFZSA-N 1 0 328.362 4.498 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)CC1(C#N)CCCCC1 ZINC000596682242 1035963398 /nfs/dbraw/zinc/96/33/98/1035963398.db2.gz ZCHMJDUBJBICJS-UHFFFAOYSA-N 1 0 341.499 4.009 20 30 EIEDRO C[C@H](O)[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1F ZINC000571453565 1036048639 /nfs/dbraw/zinc/04/86/39/1036048639.db2.gz XUZPVGGDCUXKAE-LVXYXVKQSA-N 1 0 338.426 4.177 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000571490385 1036054992 /nfs/dbraw/zinc/05/49/92/1036054992.db2.gz ZDRLXOBGAIQKQP-HXUWFJFHSA-N 1 0 333.435 4.114 20 30 EIEDRO C=CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1cccc(C#N)c1 ZINC000597001612 1036065070 /nfs/dbraw/zinc/06/50/70/1036065070.db2.gz XRNIHUHSXPEPQS-UHFFFAOYSA-N 1 0 327.431 4.302 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421115200 1036078793 /nfs/dbraw/zinc/07/87/93/1036078793.db2.gz WPCJGIWNBIFZDY-QGZVFWFLSA-N 1 0 329.488 4.096 20 30 EIEDRO N#CCC1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000597083773 1036098733 /nfs/dbraw/zinc/09/87/33/1036098733.db2.gz WXBSKMYNDXJLCU-UHFFFAOYSA-N 1 0 333.229 4.321 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCC3)cc2)CC1 ZINC000597136650 1036120122 /nfs/dbraw/zinc/12/01/22/1036120122.db2.gz ZRUQPGZATWVRFK-NRFANRHFSA-N 1 0 346.474 4.235 20 30 EIEDRO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597175396 1036142151 /nfs/dbraw/zinc/14/21/51/1036142151.db2.gz YZQCXZGHUVLWDB-KRWDZBQOSA-N 1 0 336.483 4.295 20 30 EIEDRO COCC[C@@H]1CCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000502433691 1036224544 /nfs/dbraw/zinc/22/45/44/1036224544.db2.gz WIGATDJZHUXQDO-CMTQZCSUSA-N 1 0 342.483 4.043 20 30 EIEDRO CC[C@@H]1C[C@@]1([NH2+]CCCC1(C#N)CCOCC1)c1cccc(C)c1 ZINC000502506570 1036275194 /nfs/dbraw/zinc/27/51/94/1036275194.db2.gz FENCNUPTRVRHTB-NQIIRXRSSA-N 1 0 326.484 4.310 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000502497123 1036284123 /nfs/dbraw/zinc/28/41/23/1036284123.db2.gz WRIQCXPCWDWYBE-UHFFFAOYSA-N 1 0 340.373 4.449 20 30 EIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC3(C#N)CCCCC3)ccc21 ZINC000597729617 1036333973 /nfs/dbraw/zinc/33/39/73/1036333973.db2.gz YVHDLPOTKFJWFE-GOSISDBHSA-N 1 0 325.456 4.038 20 30 EIEDRO N#CCCCCCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000588330025 1036360237 /nfs/dbraw/zinc/36/02/37/1036360237.db2.gz PEXYJYGVGADJJQ-UHFFFAOYSA-N 1 0 341.499 4.153 20 30 EIEDRO COc1ccc2[nH]cc(C3CC[NH+](C[C@@H](C)CCC#N)CC3)c2c1 ZINC000602451816 1036447420 /nfs/dbraw/zinc/44/74/20/1036447420.db2.gz CMBMFZBNOXHWKN-HNNXBMFYSA-N 1 0 325.456 4.296 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000602520635 1036476998 /nfs/dbraw/zinc/47/69/98/1036476998.db2.gz KESMTIMRFZDBTD-HNNXBMFYSA-N 1 0 339.414 4.107 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000602508192 1036483857 /nfs/dbraw/zinc/48/38/57/1036483857.db2.gz ADHVVTMFKYFYPW-GMTAPVOTSA-N 1 0 330.316 4.425 20 30 EIEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1C ZINC000602545941 1036489707 /nfs/dbraw/zinc/48/97/07/1036489707.db2.gz SUQFSOMFDGYCTA-HNNXBMFYSA-N 1 0 339.483 4.282 20 30 EIEDRO N#CC1CCC([NH2+]CCCc2ccc(Br)cc2F)CC1 ZINC000602547593 1036490142 /nfs/dbraw/zinc/49/01/42/1036490142.db2.gz QMNKDCYPEXBIOR-UHFFFAOYSA-N 1 0 339.252 4.193 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)c1ccccc1Cl ZINC000602528205 1036493153 /nfs/dbraw/zinc/49/31/53/1036493153.db2.gz CHGLBUYHCCLDQF-OAHLLOKOSA-N 1 0 334.891 4.306 20 30 EIEDRO COc1cccc(C[NH2+]C2CCC(C#N)CC2)c1OC1CCCC1 ZINC000602560049 1036496770 /nfs/dbraw/zinc/49/67/70/1036496770.db2.gz APUCPFMFTVWEDB-UHFFFAOYSA-N 1 0 328.456 4.189 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000602534443 1036496862 /nfs/dbraw/zinc/49/68/62/1036496862.db2.gz UMRVYYGADAPAPL-AWEZNQCLSA-N 1 0 345.874 4.052 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000602572101 1036499189 /nfs/dbraw/zinc/49/91/89/1036499189.db2.gz TUFFEWKJKVDUJW-IRXDYDNUSA-N 1 0 342.508 4.310 20 30 EIEDRO CCOc1ccc(/C=N/Cc2ccccc2C[NH+]2CCCC2)c(O)c1 ZINC000027121393 1036505805 /nfs/dbraw/zinc/50/58/05/1036505805.db2.gz KMHJVVSENWUURL-PXLXIMEGSA-N 1 0 338.451 4.006 20 30 EIEDRO CCN1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000602579679 1036509508 /nfs/dbraw/zinc/50/95/08/1036509508.db2.gz AGVJATJOBQICGJ-OQBIIGTOSA-N 1 0 349.881 4.286 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1OC ZINC000060830359 1036525586 /nfs/dbraw/zinc/52/55/86/1036525586.db2.gz LMUICDVUXJTNIK-UHFFFAOYSA-N 1 0 331.843 4.246 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602661376 1036557397 /nfs/dbraw/zinc/55/73/97/1036557397.db2.gz DRWIDAICDSAQMJ-ICSRJNTNSA-N 1 0 325.500 4.274 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)c2ccccc21 ZINC000602712368 1036588567 /nfs/dbraw/zinc/58/85/67/1036588567.db2.gz NBPYSTWPJACQCB-NRERDWFFSA-N 1 0 340.467 4.229 20 30 EIEDRO C[C@@]1(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C[C@H]1c1ccccc1 ZINC000602718810 1036592679 /nfs/dbraw/zinc/59/26/79/1036592679.db2.gz UNNFCEJRAOCVLT-VXKWHMMOSA-N 1 0 346.474 4.347 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000602724058 1036596522 /nfs/dbraw/zinc/59/65/22/1036596522.db2.gz GKNQEQXSIVORGE-BLLLJJGKSA-N 1 0 328.287 4.126 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000602723348 1036597416 /nfs/dbraw/zinc/59/74/16/1036597416.db2.gz FBXXJSMUEWSQIH-KSSFIOAISA-N 1 0 332.875 4.406 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889954 1036664425 /nfs/dbraw/zinc/66/44/25/1036664425.db2.gz XNXZZIBVLNLHNY-BEFAXECRSA-N 1 0 328.419 4.052 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)c2ccccc21 ZINC000598603004 1036701514 /nfs/dbraw/zinc/70/15/14/1036701514.db2.gz DXELEEUKJLSQKO-KBPBESRZSA-N 1 0 330.859 4.445 20 30 EIEDRO N#CCCCOc1cccc(C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000589196674 1036704287 /nfs/dbraw/zinc/70/42/87/1036704287.db2.gz RTVUPCYCFGBWDC-UHFFFAOYSA-N 1 0 335.451 4.144 20 30 EIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)cs1 ZINC000598603643 1036704417 /nfs/dbraw/zinc/70/44/17/1036704417.db2.gz XQPUASWPFWVBGO-SUMWQHHRSA-N 1 0 343.496 4.070 20 30 EIEDRO CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000598586054 1036705066 /nfs/dbraw/zinc/70/50/66/1036705066.db2.gz CTMMPPUDLYWDME-CJNGLKHVSA-N 1 0 342.405 4.389 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Oc2ccccc2)cc1 ZINC000598603648 1036705893 /nfs/dbraw/zinc/70/58/93/1036705893.db2.gz XSVVVNQUXVBQDH-SJLPKXTDSA-N 1 0 338.451 4.430 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000598585094 1036706074 /nfs/dbraw/zinc/70/60/74/1036706074.db2.gz RKSREIPVFYMQOD-GUYCJALGSA-N 1 0 346.521 4.058 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C[C@H](O)CC(C)(C)C#N)C(C)(C)C)cc1 ZINC000598592153 1036707595 /nfs/dbraw/zinc/70/75/95/1036707595.db2.gz GLIHSQYFVJACIA-GOSISDBHSA-N 1 0 344.499 4.153 20 30 EIEDRO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598587738 1036709113 /nfs/dbraw/zinc/70/91/13/1036709113.db2.gz UTWDWXCHKQPMGU-WCQYABFASA-N 1 0 329.271 4.287 20 30 EIEDRO C[C@]1(C2CCCCC2)CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000603028190 1036709694 /nfs/dbraw/zinc/70/96/94/1036709694.db2.gz AWKGMTSXZRRQOX-HXUWFJFHSA-N 1 0 336.439 4.153 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000589284672 1036731141 /nfs/dbraw/zinc/73/11/41/1036731141.db2.gz RAWAIYKYWHVPEM-UXHICEINSA-N 1 0 339.870 4.055 20 30 EIEDRO N#Cc1cc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)ccn1 ZINC000598643298 1036731730 /nfs/dbraw/zinc/73/17/30/1036731730.db2.gz MTJTXLQJHKPAHB-UHFFFAOYSA-N 1 0 331.341 4.141 20 30 EIEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCCSCC#N)cc1 ZINC000589291609 1036732784 /nfs/dbraw/zinc/73/27/84/1036732784.db2.gz WMGPACWRDQVTSG-HXUWFJFHSA-N 1 0 340.492 4.215 20 30 EIEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2ccnc(C#N)c2)cc1 ZINC000589291184 1036733756 /nfs/dbraw/zinc/73/37/56/1036733756.db2.gz SMJZWDUPRAZOON-QFIPXVFZSA-N 1 0 343.430 4.035 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cccc(-n2cccn2)c1 ZINC000589340470 1036738470 /nfs/dbraw/zinc/73/84/70/1036738470.db2.gz FEZFZPNOZCAQKA-YCRPNKLZSA-N 1 0 328.419 4.082 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)c2cccnc2)ccc1OC ZINC000414552221 1036741613 /nfs/dbraw/zinc/74/16/13/1036741613.db2.gz COXLCIMBOAZKGW-UHFFFAOYSA-N 1 0 340.467 4.113 20 30 EIEDRO CC(=O)N1CC[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000598678450 1036743499 /nfs/dbraw/zinc/74/34/99/1036743499.db2.gz OZEWMAKTGKKIAB-WOJBJXKFSA-N 1 0 333.435 4.119 20 30 EIEDRO CCC[N@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1ccc(C#N)cc1 ZINC000061001738 1036758352 /nfs/dbraw/zinc/75/83/52/1036758352.db2.gz IKMWKCZJKRYDIS-UHFFFAOYSA-N 1 0 349.478 4.212 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000598715850 1036758621 /nfs/dbraw/zinc/75/86/21/1036758621.db2.gz UGGGPYPGGGETIT-RBUKOAKNSA-N 1 0 342.870 4.320 20 30 EIEDRO C=CCOc1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000056642491 1036769162 /nfs/dbraw/zinc/76/91/62/1036769162.db2.gz SFSLHODKGZYJCA-QGZVFWFLSA-N 1 0 345.487 4.028 20 30 EIEDRO CSC1(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCC1 ZINC000589506843 1036800214 /nfs/dbraw/zinc/80/02/14/1036800214.db2.gz XXPBUIMHOUXOOY-UHFFFAOYSA-N 1 0 330.497 4.124 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)s1 ZINC000421880081 1036830556 /nfs/dbraw/zinc/83/05/56/1036830556.db2.gz NZWSFPRGLOGAQA-QZTJIDSGSA-N 1 0 346.883 4.153 20 30 EIEDRO CCOc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c(F)cc1OC ZINC000598982470 1036838579 /nfs/dbraw/zinc/83/85/79/1036838579.db2.gz VOPVBJHQGUDUNL-UHFFFAOYSA-N 1 0 342.414 4.130 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)s1 ZINC000599015865 1036853053 /nfs/dbraw/zinc/85/30/53/1036853053.db2.gz STYMQOUBVGTGTR-OAHLLOKOSA-N 1 0 341.263 4.140 20 30 EIEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccccc1-c1ccccc1C#N ZINC000589630939 1036853885 /nfs/dbraw/zinc/85/38/85/1036853885.db2.gz AQDQZIRBHZDFDP-QGZVFWFLSA-N 1 0 349.478 4.075 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1Cl ZINC000589634852 1036854470 /nfs/dbraw/zinc/85/44/70/1036854470.db2.gz IDTDVNWHFIMPIH-IBGZPJMESA-N 1 0 344.886 4.297 20 30 EIEDRO COC(=O)CC1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000599049486 1036855639 /nfs/dbraw/zinc/85/56/39/1036855639.db2.gz YINPYYOCRFQBLX-NKELODKYSA-N 1 0 328.456 4.133 20 30 EIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C12CCC2 ZINC000486802870 1036862599 /nfs/dbraw/zinc/86/25/99/1036862599.db2.gz XLIOSCWHFPYMIP-MOPGFXCFSA-N 1 0 326.484 4.267 20 30 EIEDRO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2CCC(C)C)c(C#N)c1C ZINC000486800868 1036863287 /nfs/dbraw/zinc/86/32/87/1036863287.db2.gz KSSDHVZTZCDWJQ-OAHLLOKOSA-N 1 0 333.501 4.076 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000589727667 1036870756 /nfs/dbraw/zinc/87/07/56/1036870756.db2.gz JXUBSYOIQLYAMY-DYESRHJHSA-N 1 0 349.453 4.191 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000513762358 1036879091 /nfs/dbraw/zinc/87/90/91/1036879091.db2.gz QRPZDLHRTDOZFV-JOCHJYFZSA-N 1 0 349.478 4.277 20 30 EIEDRO N#Cc1ccc(CNc2ccc(SCC[NH+]3CCCC3)cc2)cc1 ZINC000593678803 1036880755 /nfs/dbraw/zinc/88/07/55/1036880755.db2.gz QTRGGWWCTUTCTM-UHFFFAOYSA-N 1 0 337.492 4.358 20 30 EIEDRO C[C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695082 1036898950 /nfs/dbraw/zinc/89/89/50/1036898950.db2.gz HNNZKMOUCHULKU-UTKZUKDTSA-N 1 0 325.500 4.081 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCC[C@H]3C3CC3)CC2)c1 ZINC000593701945 1036904786 /nfs/dbraw/zinc/90/47/86/1036904786.db2.gz ILGQFVBAYCXVJD-FCHUYYIVSA-N 1 0 337.511 4.081 20 30 EIEDRO CCC[N@H+](CC(C)(C)CCC#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503098011 1036913408 /nfs/dbraw/zinc/91/34/08/1036913408.db2.gz KPDVZGZOYJUHFO-KRWDZBQOSA-N 1 0 329.488 4.446 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)s1 ZINC000593719257 1036927071 /nfs/dbraw/zinc/92/70/71/1036927071.db2.gz AOURBCGYGZDNAA-MRXNPFEDSA-N 1 0 339.508 4.243 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1OCCc2sccc21 ZINC000590024811 1036932344 /nfs/dbraw/zinc/93/23/44/1036932344.db2.gz OBZIDRHZHSHKOV-IFXJQAMLSA-N 1 0 340.492 4.341 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)N1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001279955146 1036945717 /nfs/dbraw/zinc/94/57/17/1036945717.db2.gz WRPDGNIZSAPGOO-KRWDZBQOSA-N 1 0 335.536 4.005 20 30 EIEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000599351224 1036966222 /nfs/dbraw/zinc/96/62/22/1036966222.db2.gz ZLJKZLYQOJAGCA-SFTDATJTSA-N 1 0 334.463 4.005 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000590123868 1036981817 /nfs/dbraw/zinc/98/18/17/1036981817.db2.gz JINUCNQDWXKOCC-OAQYLSRUSA-N 1 0 348.490 4.481 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000599431821 1037012428 /nfs/dbraw/zinc/01/24/28/1037012428.db2.gz PRWISBWMSCSHDK-SFHVURJKSA-N 1 0 348.368 4.099 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000590254359 1037022602 /nfs/dbraw/zinc/02/26/02/1037022602.db2.gz KZVANBXESWNAAP-PMACEKPBSA-N 1 0 334.419 4.073 20 30 EIEDRO N#CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cc1 ZINC000271824933 1037024972 /nfs/dbraw/zinc/02/49/72/1037024972.db2.gz VFLDEHUGPWOVGG-UHFFFAOYSA-N 1 0 342.389 4.426 20 30 EIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271912433 1037052313 /nfs/dbraw/zinc/05/23/13/1037052313.db2.gz YFGKWTYKHXHDFO-QRWLVFNGSA-N 1 0 336.435 4.326 20 30 EIEDRO C=CCC[N@@H+](C)[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000467303539 1037061903 /nfs/dbraw/zinc/06/19/03/1037061903.db2.gz AWSQYZKRQGLBPB-FQEVSTJZSA-N 1 0 338.451 4.191 20 30 EIEDRO COc1ccccc1[C@H](CNc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000603871576 1037068099 /nfs/dbraw/zinc/06/80/99/1037068099.db2.gz GVURILVEFQOIBN-FQEVSTJZSA-N 1 0 335.451 4.206 20 30 EIEDRO C=CCn1c(SCC[C@@H]2CCCC[N@H+]2C)nnc1-c1ccccc1 ZINC000057508385 1037077828 /nfs/dbraw/zinc/07/78/28/1037077828.db2.gz ZIDIRZBZSLEKGA-KRWDZBQOSA-N 1 0 342.512 4.098 20 30 EIEDRO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCCCC#N ZINC000599572675 1037078960 /nfs/dbraw/zinc/07/89/60/1037078960.db2.gz FBPVXQJZZNKTMM-OAHLLOKOSA-N 1 0 337.261 4.288 20 30 EIEDRO Cn1nccc1-c1ccccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000572976311 1037087414 /nfs/dbraw/zinc/08/74/14/1037087414.db2.gz NIKSBSGQHOLYAD-OAQYLSRUSA-N 1 0 342.446 4.126 20 30 EIEDRO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000272071024 1037093722 /nfs/dbraw/zinc/09/37/22/1037093722.db2.gz YYNHUOHBTILRTK-GOSISDBHSA-N 1 0 328.481 4.224 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(Cl)cs3)C2)c(F)c1 ZINC000487286858 1037100252 /nfs/dbraw/zinc/10/02/52/1037100252.db2.gz HDCXYQIRBHTRIN-AWEZNQCLSA-N 1 0 349.862 4.171 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1cc(C)ccc1C ZINC000599640150 1037107371 /nfs/dbraw/zinc/10/73/71/1037107371.db2.gz DVSHZGQUWVYLKV-GOSISDBHSA-N 1 0 339.439 4.064 20 30 EIEDRO CC(C)CC[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000590644551 1037130299 /nfs/dbraw/zinc/13/02/99/1037130299.db2.gz RVVBXWFSMMLNSG-FXAWDEMLSA-N 1 0 340.515 4.117 20 30 EIEDRO CC1(C#N)CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000272607160 1037248579 /nfs/dbraw/zinc/24/85/79/1037248579.db2.gz RPKWBPLLKNRGSB-UHFFFAOYSA-N 1 0 330.435 4.127 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(OCC)c2)ccc1OC ZINC000057963993 1037356390 /nfs/dbraw/zinc/35/63/90/1037356390.db2.gz CMYKQVPBBVPALA-UHFFFAOYSA-N 1 0 341.451 4.339 20 30 EIEDRO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCCC#N)CCC3)cc1 ZINC000273164509 1037369422 /nfs/dbraw/zinc/36/94/22/1037369422.db2.gz ALVMLCBKNMYYOM-OAHLLOKOSA-N 1 0 327.453 4.089 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191492 1037395522 /nfs/dbraw/zinc/39/55/22/1037395522.db2.gz AILLCUVFVKNKBD-AUSIDOKSSA-N 1 0 347.506 4.352 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccsc2)cc1OCCCC#N ZINC000604512403 1037421470 /nfs/dbraw/zinc/42/14/70/1037421470.db2.gz BMQULXZBCZIGED-HNNXBMFYSA-N 1 0 344.480 4.160 20 30 EIEDRO C=CCC1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC1 ZINC000478053045 1037431723 /nfs/dbraw/zinc/43/17/23/1037431723.db2.gz KAUZOZLZQSIAIM-UHFFFAOYSA-N 1 0 330.472 4.092 20 30 EIEDRO C=CCC(C)(C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000488325199 1037529478 /nfs/dbraw/zinc/52/94/78/1037529478.db2.gz PMRWCSOCHKWUFV-HKUYNNGSSA-N 1 0 328.500 4.006 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000591712420 1037543341 /nfs/dbraw/zinc/54/33/41/1037543341.db2.gz VLIXEBFHDZPDIF-OAHLLOKOSA-N 1 0 329.415 4.292 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000591709903 1037558557 /nfs/dbraw/zinc/55/85/57/1037558557.db2.gz ZPLGACUGBHBQMW-RXVVDRJESA-N 1 0 336.479 4.177 20 30 EIEDRO N#CC1(C[NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CCC1 ZINC000591770930 1037587577 /nfs/dbraw/zinc/58/75/77/1037587577.db2.gz MFTICAXJWWFMTI-UHFFFAOYSA-N 1 0 349.434 4.091 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CSc3ccccc32)cc(OC)c1O ZINC000605165850 1037686564 /nfs/dbraw/zinc/68/65/64/1037686564.db2.gz AOKUNYORHHQLFW-MRXNPFEDSA-N 1 0 327.449 4.066 20 30 EIEDRO C=CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704516 1037716550 /nfs/dbraw/zinc/71/65/50/1037716550.db2.gz SHLOECJIGLNMJR-BWAGFHJFSA-N 1 0 348.490 4.298 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(Nc3ccccc3)c2)CC1 ZINC000605304736 1037723570 /nfs/dbraw/zinc/72/35/70/1037723570.db2.gz MMYASTBAULTLOD-UHFFFAOYSA-N 1 0 349.478 4.201 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000592070460 1037732051 /nfs/dbraw/zinc/73/20/51/1037732051.db2.gz SRXCRSNHBMLWNN-UHFFFAOYSA-N 1 0 326.484 4.115 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000592165696 1037748449 /nfs/dbraw/zinc/74/84/49/1037748449.db2.gz DVWVJANKHQMGNY-PMACEKPBSA-N 1 0 328.500 4.165 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503429851 1037751887 /nfs/dbraw/zinc/75/18/87/1037751887.db2.gz BQSGIDWKVCMSJR-UHFFFAOYSA-N 1 0 325.500 4.234 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000592368402 1037777081 /nfs/dbraw/zinc/77/70/81/1037777081.db2.gz DAAYDIUGBBLBTB-UHFFFAOYSA-N 1 0 347.203 4.080 20 30 EIEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000592375131 1037778694 /nfs/dbraw/zinc/77/86/94/1037778694.db2.gz ROCRZFBISHHOMB-OKILXGFUSA-N 1 0 326.362 4.013 20 30 EIEDRO CC[C@@H]1C[C@H](C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCO1 ZINC000503603451 1037834906 /nfs/dbraw/zinc/83/49/06/1037834906.db2.gz TYDATYRBZIUJNN-IHJVYAAUSA-N 1 0 342.483 4.043 20 30 EIEDRO C=CCCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000605738784 1037858140 /nfs/dbraw/zinc/85/81/40/1037858140.db2.gz XBEJPBIVVKTNFP-GFCCVEGCSA-N 1 0 329.271 4.069 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2F)cc1 ZINC000172119607 1037859025 /nfs/dbraw/zinc/85/90/25/1037859025.db2.gz QDBREDAAEAPOAR-UHFFFAOYSA-N 1 0 338.304 4.037 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000605850036 1037872599 /nfs/dbraw/zinc/87/25/99/1037872599.db2.gz UKXYWCJXUMYYPM-SFHVURJKSA-N 1 0 343.515 4.026 20 30 EIEDRO N#C[C@@H](CO)Cc1cccc(-c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000592984294 1037894722 /nfs/dbraw/zinc/89/47/22/1037894722.db2.gz AJIURHIFGPGMCG-FQEVSTJZSA-N 1 0 334.463 4.014 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249410882 1037895705 /nfs/dbraw/zinc/89/57/05/1037895705.db2.gz XWVKRELKYONVKC-GGPKGHCWSA-N 1 0 325.500 4.206 20 30 EIEDRO C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(C[C@@H](C#N)CO)c2)cc1 ZINC000592987357 1037897053 /nfs/dbraw/zinc/89/70/53/1037897053.db2.gz YVJGZIGXSGWNQE-PXNSSMCTSA-N 1 0 334.463 4.012 20 30 EIEDRO C[C@H](CSc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593046665 1037907823 /nfs/dbraw/zinc/90/78/23/1037907823.db2.gz QVHVZQCSOSNNRJ-CQSZACIVSA-N 1 0 341.436 4.079 20 30 EIEDRO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](CCCCC(C)(C)C#N)CC2)n1 ZINC000593075166 1037977707 /nfs/dbraw/zinc/97/77/07/1037977707.db2.gz ANJGSMBWUZWCNN-WBVHZDCISA-N 1 0 344.503 4.168 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000606367597 1038037779 /nfs/dbraw/zinc/03/77/79/1038037779.db2.gz MKWBOOSUVLRNHR-GOSISDBHSA-N 1 0 342.527 4.460 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C#N)CCCC2)cc1Cl ZINC000593653071 1038115781 /nfs/dbraw/zinc/11/57/81/1038115781.db2.gz ATHPYUCFSDYQHH-AWEZNQCLSA-N 1 0 333.863 4.039 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2SC)cc1OCCCC#N ZINC000593654296 1038118186 /nfs/dbraw/zinc/11/81/86/1038118186.db2.gz VIHUJGDIATWHEN-VQIMIIECSA-N 1 0 348.512 4.142 20 30 EIEDRO N#CC1(C[NH2+]Cc2ccnc3c(Br)cccc23)CCCC1 ZINC000593654501 1038119033 /nfs/dbraw/zinc/11/90/33/1038119033.db2.gz DZKDIEDVPPHSJY-UHFFFAOYSA-N 1 0 344.256 4.171 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)c1 ZINC000489564936 1038137110 /nfs/dbraw/zinc/13/71/10/1038137110.db2.gz SOMJTBVFZKVNOV-NRFANRHFSA-N 1 0 332.447 4.441 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000593692665 1038152543 /nfs/dbraw/zinc/15/25/43/1038152543.db2.gz YRANEJQHZKDSIW-SAKMYQHLSA-N 1 0 340.467 4.229 20 30 EIEDRO N#Cc1ccc(F)c(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c1 ZINC000594020295 1038214667 /nfs/dbraw/zinc/21/46/67/1038214667.db2.gz GPWFGXOADTWLQH-UHFFFAOYSA-N 1 0 346.409 4.020 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000423450410 1038231747 /nfs/dbraw/zinc/23/17/47/1038231747.db2.gz SVCZKEIBCCKUGH-QFIPXVFZSA-N 1 0 331.463 4.474 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc(C#N)cc1F ZINC000489905199 1038261788 /nfs/dbraw/zinc/26/17/88/1038261788.db2.gz HFLDNTKJIQVLNG-CKJXQJPGSA-N 1 0 337.442 4.011 20 30 EIEDRO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1(C)CCCC1 ZINC000489874823 1038264711 /nfs/dbraw/zinc/26/47/11/1038264711.db2.gz QPHFODNOKAXLGU-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO C=CCOc1ccccc1CNCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000606913668 1038304655 /nfs/dbraw/zinc/30/46/55/1038304655.db2.gz NHQBGCUMJUMRHZ-SFHVURJKSA-N 1 0 338.495 4.470 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000606922223 1038314725 /nfs/dbraw/zinc/31/47/25/1038314725.db2.gz KGOGFKVIPMTPAG-SFHVURJKSA-N 1 0 347.503 4.113 20 30 EIEDRO C=CCn1cccc1C(=O)N(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000490048205 1038322548 /nfs/dbraw/zinc/32/25/48/1038322548.db2.gz YOMUSMWFDBJPMH-UHFFFAOYSA-N 1 0 345.531 4.226 20 30 EIEDRO C[C@@H](c1ccc2ccccc2c1)N(C(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594431568 1038334478 /nfs/dbraw/zinc/33/44/78/1038334478.db2.gz NZJPVWKZDBOSRB-HRAATJIYSA-N 1 0 349.478 4.303 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c(Cl)c1 ZINC000490100522 1038337024 /nfs/dbraw/zinc/33/70/24/1038337024.db2.gz HQFVTQCUFBVEOS-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO CN(C)[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1cccc(F)c1 ZINC000594493072 1038344116 /nfs/dbraw/zinc/34/41/16/1038344116.db2.gz GCOTWDGBHAQGIG-HXUWFJFHSA-N 1 0 339.458 4.019 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000594493451 1038344283 /nfs/dbraw/zinc/34/42/83/1038344283.db2.gz PEMKEEPNNSWBGQ-IBGZPJMESA-N 1 0 337.467 4.007 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000594496814 1038344668 /nfs/dbraw/zinc/34/46/68/1038344668.db2.gz WNWUOHPTIMBBOP-VBKZILBWSA-N 1 0 334.419 4.073 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000594494866 1038347420 /nfs/dbraw/zinc/34/74/20/1038347420.db2.gz JNJKHFKFFYVRKS-UHFFFAOYSA-N 1 0 338.842 4.079 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000594502151 1038348110 /nfs/dbraw/zinc/34/81/10/1038348110.db2.gz XVWOFNMLKQQEID-UTKZUKDTSA-N 1 0 335.495 4.269 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2COc3ccc(Cl)cc32)cc1 ZINC000594498422 1038348160 /nfs/dbraw/zinc/34/81/60/1038348160.db2.gz PNYCVKDKNJESJF-KRWDZBQOSA-N 1 0 326.827 4.364 20 30 EIEDRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(C(C)(C)C#N)cc3)c2c1 ZINC000594503155 1038348499 /nfs/dbraw/zinc/34/84/99/1038348499.db2.gz ULIFBQKAWJSETP-UHFFFAOYSA-N 1 0 347.462 4.310 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000594499386 1038348523 /nfs/dbraw/zinc/34/85/23/1038348523.db2.gz GJHWPXBWYKIXNN-LEWJYISDSA-N 1 0 334.463 4.498 20 30 EIEDRO CN(C)C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 ZINC000594506758 1038350634 /nfs/dbraw/zinc/35/06/34/1038350634.db2.gz XUCKYOSYJKXIRF-FQEVSTJZSA-N 1 0 339.458 4.019 20 30 EIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000594515591 1038357156 /nfs/dbraw/zinc/35/71/56/1038357156.db2.gz ODJSTJNESWVFAF-OAHLLOKOSA-N 1 0 345.446 4.173 20 30 EIEDRO COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594510394 1038357503 /nfs/dbraw/zinc/35/75/03/1038357503.db2.gz DKWZBCYBJXJLMZ-MRXNPFEDSA-N 1 0 338.451 4.053 20 30 EIEDRO CC[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(C(=O)OC)cc1 ZINC000594519192 1038359861 /nfs/dbraw/zinc/35/98/61/1038359861.db2.gz VGWHBYGTBHJOMZ-FQEVSTJZSA-N 1 0 348.446 4.465 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594519619 1038359959 /nfs/dbraw/zinc/35/99/59/1038359959.db2.gz RTBNFDRZMKWMPP-FHLIZLRMSA-N 1 0 342.483 4.040 20 30 EIEDRO CCOc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594520882 1038360058 /nfs/dbraw/zinc/36/00/58/1038360058.db2.gz QWHHQJRFSUKYSO-UHFFFAOYSA-N 1 0 336.435 4.135 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cnc([C@@H]4CCCO4)s3)CCC2)cc1 ZINC000594521928 1038360896 /nfs/dbraw/zinc/36/08/96/1038360896.db2.gz VZFUNJBWEPVALG-KRWDZBQOSA-N 1 0 339.464 4.035 20 30 EIEDRO CCn1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c2ccccc21 ZINC000594518501 1038361916 /nfs/dbraw/zinc/36/19/16/1038361916.db2.gz GZVUCJWXNNHKJE-UHFFFAOYSA-N 1 0 330.435 4.097 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C1(C)CCCC1 ZINC000490176651 1038372381 /nfs/dbraw/zinc/37/23/81/1038372381.db2.gz QJMNKQLTCRPOHB-HNNXBMFYSA-N 1 0 345.512 4.141 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000594709837 1038390247 /nfs/dbraw/zinc/39/02/47/1038390247.db2.gz FXCQZQZJCOLJDJ-MLGOLLRUSA-N 1 0 326.362 4.099 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000594708907 1038391833 /nfs/dbraw/zinc/39/18/33/1038391833.db2.gz CTIQGTVLVRKRTE-ZDUSSCGKSA-N 1 0 340.377 4.196 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000594709838 1038391872 /nfs/dbraw/zinc/39/18/72/1038391872.db2.gz FXCQZQZJCOLJDJ-WBMJQRKESA-N 1 0 326.362 4.099 20 30 EIEDRO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)sc1C ZINC000594919850 1038424761 /nfs/dbraw/zinc/42/47/61/1038424761.db2.gz CFCLVIPKHDFKQJ-UHFFFAOYSA-N 1 0 325.481 4.340 20 30 EIEDRO CC[C@@](C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(C)cs1 ZINC000594920838 1038426562 /nfs/dbraw/zinc/42/65/62/1038426562.db2.gz IBFNKTOBIIEYGA-GOSISDBHSA-N 1 0 325.481 4.422 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccccc3OC(F)(F)F)cc2)CC1 ZINC000594917849 1038427352 /nfs/dbraw/zinc/42/73/52/1038427352.db2.gz KUFINGHPUGQDOO-UHFFFAOYSA-N 1 0 346.352 4.430 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCCN(c4ccccc4)C3)cc2)CC1 ZINC000594927762 1038429074 /nfs/dbraw/zinc/42/90/74/1038429074.db2.gz YIKROJFUBKSPCJ-FQEVSTJZSA-N 1 0 331.463 4.000 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3c[nH]c4cc(F)ccc34)cc2)CC1 ZINC000594923539 1038429386 /nfs/dbraw/zinc/42/93/86/1038429386.db2.gz INCRZULUDJDTKD-UHFFFAOYSA-N 1 0 333.410 4.194 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCCN(c4ccccc4)C3)cc2)CC1 ZINC000594927764 1038430825 /nfs/dbraw/zinc/43/08/25/1038430825.db2.gz YIKROJFUBKSPCJ-HXUWFJFHSA-N 1 0 331.463 4.000 20 30 EIEDRO C[C@@H]1CCC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000574814800 1038459858 /nfs/dbraw/zinc/45/98/58/1038459858.db2.gz JZGISHNQOSTAMD-CJNGLKHVSA-N 1 0 333.863 4.051 20 30 EIEDRO CC[C@H](C)c1ccc([C@H](NC(=O)[C@H]([NH3+])CCCC#N)C(C)C)cc1 ZINC000424062632 1038482383 /nfs/dbraw/zinc/48/23/83/1038482383.db2.gz HIHYFORQMHFYDV-KFKAGJAMSA-N 1 0 329.488 4.035 20 30 EIEDRO CC[C@H](C)c1ccc([C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(C)C)cc1 ZINC000424062634 1038485510 /nfs/dbraw/zinc/48/55/10/1038485510.db2.gz HIHYFORQMHFYDV-ZYSHUDEJSA-N 1 0 329.488 4.035 20 30 EIEDRO COC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(Cl)c1 ZINC000594951202 1038514368 /nfs/dbraw/zinc/51/43/68/1038514368.db2.gz BRTAMQWHFACKQY-IBGZPJMESA-N 1 0 340.854 4.372 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1OC ZINC000594968407 1038550954 /nfs/dbraw/zinc/55/09/54/1038550954.db2.gz RQSQMAWQCVFZNW-UHFFFAOYSA-N 1 0 336.435 4.157 20 30 EIEDRO CC(C)([NH2+]Cc1cc(Br)cs1)c1cccc(C#N)c1 ZINC000594966526 1038560460 /nfs/dbraw/zinc/56/04/60/1038560460.db2.gz MRFORKYPILZMPQ-UHFFFAOYSA-N 1 0 335.270 4.407 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC000594964875 1038565521 /nfs/dbraw/zinc/56/55/21/1038565521.db2.gz BOEJPWZELLERLY-GOSISDBHSA-N 1 0 346.883 4.155 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000424295171 1038772014 /nfs/dbraw/zinc/77/20/14/1038772014.db2.gz MIERHJRTZWBQBD-BHYGNILZSA-N 1 0 336.273 4.081 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000424297914 1038774126 /nfs/dbraw/zinc/77/41/26/1038774126.db2.gz RISVQPREUPHBOU-NNWRFLSQSA-N 1 0 337.463 4.160 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000424299657 1038775032 /nfs/dbraw/zinc/77/50/32/1038775032.db2.gz VUZOBEOWSRSRJG-BPUTZDHNSA-N 1 0 329.362 4.217 20 30 EIEDRO COC(=O)CC1CC([NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000424282593 1038796096 /nfs/dbraw/zinc/79/60/96/1038796096.db2.gz QSFCPJUDRNOXIC-FPPRHVDESA-N 1 0 348.446 4.218 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000424326517 1038805823 /nfs/dbraw/zinc/80/58/23/1038805823.db2.gz MAHBBJSEPFRMKF-ISOBSLSZSA-N 1 0 339.664 4.372 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000539077172 1038824903 /nfs/dbraw/zinc/82/49/03/1038824903.db2.gz JUAFQUXKIZHSBX-RYUDHWBXSA-N 1 0 342.277 4.157 20 30 EIEDRO Cc1nc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c(Cl)cc1C#N ZINC000461971749 1038859353 /nfs/dbraw/zinc/85/93/53/1038859353.db2.gz IQTBAAPUSHEWOB-SUMWQHHRSA-N 1 0 328.847 4.018 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(-c2ccccc2)s1 ZINC000612570786 1038869694 /nfs/dbraw/zinc/86/96/94/1038869694.db2.gz AUQHZCTWOSPHSB-OAHLLOKOSA-N 1 0 325.481 4.054 20 30 EIEDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]Cc1nc(C#N)cs1 ZINC000567576741 1038892988 /nfs/dbraw/zinc/89/29/88/1038892988.db2.gz SKFJJBPFHNORLG-VIFPVBQESA-N 1 0 326.252 4.042 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000505035575 1038909576 /nfs/dbraw/zinc/90/95/76/1038909576.db2.gz NTOZBNBMKFWVPH-IRXDYDNUSA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000539280205 1038911075 /nfs/dbraw/zinc/91/10/75/1038911075.db2.gz XEORHQYBIVHXSL-CTNGQTDRSA-N 1 0 343.442 4.035 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000505036837 1038911742 /nfs/dbraw/zinc/91/17/42/1038911742.db2.gz ZYOBIAUWLAXFNB-IRXDYDNUSA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000505036327 1038912969 /nfs/dbraw/zinc/91/29/69/1038912969.db2.gz VMUJLROXMIVKBW-UHFFFAOYSA-N 1 0 329.488 4.049 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000505037354 1038914197 /nfs/dbraw/zinc/91/41/97/1038914197.db2.gz ARRGHTNDLPJDSW-SFHVURJKSA-N 1 0 341.499 4.145 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)cc1C#N ZINC000174371985 1038922538 /nfs/dbraw/zinc/92/25/38/1038922538.db2.gz XFEXLFZVDULZOJ-UHFFFAOYSA-N 1 0 349.478 4.093 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000539296231 1038943976 /nfs/dbraw/zinc/94/39/76/1038943976.db2.gz ZVLIRIOTONZAAL-HOCLYGCPSA-N 1 0 330.497 4.262 20 30 EIEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000608977661 1038987255 /nfs/dbraw/zinc/98/72/55/1038987255.db2.gz XFFOZBDVOBWHAJ-MJGOQNOKSA-N 1 0 347.462 4.155 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Sc1ccccc1 ZINC000174608117 1039008947 /nfs/dbraw/zinc/00/89/47/1039008947.db2.gz GVBCGIRXUKAYHG-JKSUJKDBSA-N 1 0 326.465 4.248 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000539380172 1039038223 /nfs/dbraw/zinc/03/82/23/1039038223.db2.gz ZUUATAMQAXSELP-AWEZNQCLSA-N 1 0 328.799 4.259 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000539389806 1039045686 /nfs/dbraw/zinc/04/56/86/1039045686.db2.gz CJHHEWOFNFEAKH-RBUKOAKNSA-N 1 0 343.515 4.037 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000539389804 1039047350 /nfs/dbraw/zinc/04/73/50/1039047350.db2.gz CJHHEWOFNFEAKH-OALUTQOASA-N 1 0 343.515 4.037 20 30 EIEDRO Cc1ccc(C[C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000552044195 1039066648 /nfs/dbraw/zinc/06/66/48/1039066648.db2.gz UIDWJIABXFXBSR-IBGZPJMESA-N 1 0 347.506 4.365 20 30 EIEDRO C=C(C)COCC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000552061820 1039083854 /nfs/dbraw/zinc/08/38/54/1039083854.db2.gz BLUBNXGKXQEZFD-INIZCTEOSA-N 1 0 329.362 4.219 20 30 EIEDRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000555376857 1039126864 /nfs/dbraw/zinc/12/68/64/1039126864.db2.gz CEMPDNNAKOVLOH-MPGHIAIKSA-N 1 0 332.875 4.295 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000424848667 1039140363 /nfs/dbraw/zinc/14/03/63/1039140363.db2.gz ONBCCJAWJOMMOO-UHFFFAOYSA-N 1 0 340.511 4.103 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000555427820 1039191697 /nfs/dbraw/zinc/19/16/97/1039191697.db2.gz NMWBJXCDZJSZQA-VFVAKGGASA-N 1 0 337.236 4.321 20 30 EIEDRO C=C(C)CN(C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000481354615 1039328246 /nfs/dbraw/zinc/32/82/46/1039328246.db2.gz YLHZBWXWTBHDLC-UHFFFAOYSA-N 1 0 329.488 4.001 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000600187296 1039351193 /nfs/dbraw/zinc/35/11/93/1039351193.db2.gz XFQSFJXVNWQMQO-ZDUSSCGKSA-N 1 0 329.425 4.116 20 30 EIEDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213339 1039386586 /nfs/dbraw/zinc/38/65/86/1039386586.db2.gz UJLQMLPRBBRHAU-VBKFSLOCSA-N 1 0 347.418 4.122 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000481429354 1039414451 /nfs/dbraw/zinc/41/44/51/1039414451.db2.gz WMLLPFMBMKQDSO-SGTLLEGYSA-N 1 0 332.806 4.217 20 30 EIEDRO CCCC[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCC[C@H](C)C1 ZINC000555679296 1039521232 /nfs/dbraw/zinc/52/12/32/1039521232.db2.gz PANGZVXCFFWDRJ-HOCLYGCPSA-N 1 0 333.501 4.239 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000514091154 1039597352 /nfs/dbraw/zinc/59/73/52/1039597352.db2.gz XUBSJVNQEHRJJC-CQSZACIVSA-N 1 0 341.405 4.156 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@H](C)c2sc(C)nc2C)cc(OC)c1O ZINC000093275097 1039649102 /nfs/dbraw/zinc/64/91/02/1039649102.db2.gz IWOQPASINALMJR-CYBMUJFWSA-N 1 0 346.496 4.396 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000481631988 1039658959 /nfs/dbraw/zinc/65/89/59/1039658959.db2.gz ZASBFTPHNZJPIM-LJQANCHMSA-N 1 0 348.368 4.340 20 30 EIEDRO CC(C)C1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000478327458 1039661348 /nfs/dbraw/zinc/66/13/48/1039661348.db2.gz MOLBEINCKJSWHU-UHFFFAOYSA-N 1 0 336.483 4.263 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H](CCO)c1ccccc1 ZINC000481670233 1039709254 /nfs/dbraw/zinc/70/92/54/1039709254.db2.gz WLUDHKYSVBEXQN-UNMCSNQZSA-N 1 0 334.463 4.082 20 30 EIEDRO CO[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000481666009 1039715592 /nfs/dbraw/zinc/71/55/92/1039715592.db2.gz GGTOCGSBWUJYKF-SFTDATJTSA-N 1 0 338.426 4.442 20 30 EIEDRO C=CCCOCCNc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899874388 1039753574 /nfs/dbraw/zinc/75/35/74/1039753574.db2.gz BAHNFFICFMMPMD-UHFFFAOYSA-N 1 0 326.318 4.138 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168426486 1039774302 /nfs/dbraw/zinc/77/43/02/1039774302.db2.gz LGIAEDAYEHANKN-NRFANRHFSA-N 1 0 334.438 4.240 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCCc2ccccc2)ccc1OC ZINC000060926777 1039776025 /nfs/dbraw/zinc/77/60/25/1039776025.db2.gz FPUVFWSMSZOMNO-UHFFFAOYSA-N 1 0 325.452 4.373 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCc3ccccc3C2)ccc1OC ZINC000060927005 1039779358 /nfs/dbraw/zinc/77/93/58/1039779358.db2.gz VZHPGVCJTSKUPJ-FQEVSTJZSA-N 1 0 337.463 4.297 20 30 EIEDRO C[C@@H](C#N)C(=O)Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000425123365 1039779458 /nfs/dbraw/zinc/77/94/58/1039779458.db2.gz DHAUGODTLLKUFL-KRWDZBQOSA-N 1 0 347.462 4.164 20 30 EIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000550971776 1039848678 /nfs/dbraw/zinc/84/86/78/1039848678.db2.gz SSQJARHMUZLRLA-FQEVSTJZSA-N 1 0 336.435 4.085 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000600615575 1039862680 /nfs/dbraw/zinc/86/26/80/1039862680.db2.gz WMUDDOPEXDYPHX-SJCJKPOMSA-N 1 0 326.831 4.232 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481915665 1039893640 /nfs/dbraw/zinc/89/36/40/1039893640.db2.gz CTJXKOGZBKNSBE-HNNXBMFYSA-N 1 0 340.433 4.267 20 30 EIEDRO C=CCC[C@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000434966250 1039965694 /nfs/dbraw/zinc/96/56/94/1039965694.db2.gz JTYIDPQRWTTYJA-FQEVSTJZSA-N 1 0 343.515 4.114 20 30 EIEDRO C=C[C@H](CC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000505586999 1039984417 /nfs/dbraw/zinc/98/44/17/1039984417.db2.gz KZOZPHPTORHBIB-NJNPRVFISA-N 1 0 336.479 4.154 20 30 EIEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)Cc1ccccc1 ZINC000535261018 1040102976 /nfs/dbraw/zinc/10/29/76/1040102976.db2.gz JDNNUBBPFFMRKD-MRXNPFEDSA-N 1 0 347.384 4.162 20 30 EIEDRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000553315102 1040122325 /nfs/dbraw/zinc/12/23/25/1040122325.db2.gz PKGPNQUXUZEGTI-ZDUSSCGKSA-N 1 0 342.468 4.000 20 30 EIEDRO C=C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000535509930 1040314792 /nfs/dbraw/zinc/31/47/92/1040314792.db2.gz DLPDNACMGYNTSN-IRLDBZIGSA-N 1 0 348.490 4.127 20 30 EIEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000479418207 1040319431 /nfs/dbraw/zinc/31/94/31/1040319431.db2.gz DNFXUMTUCQOWQJ-WQUXRXDGSA-N 1 0 339.483 4.225 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000174644040 1040368247 /nfs/dbraw/zinc/36/82/47/1040368247.db2.gz XCPUNWZCYYEXIQ-CABCVRRESA-N 1 0 344.842 4.188 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551560339 1040410297 /nfs/dbraw/zinc/41/02/97/1040410297.db2.gz RMQXTCDVSJCXCW-WIYYLYMNSA-N 1 0 345.490 4.048 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(-n2cccn2)cc1 ZINC000551565702 1040418733 /nfs/dbraw/zinc/41/87/33/1040418733.db2.gz FFJDIJYHFGIIRB-MRXNPFEDSA-N 1 0 328.419 4.084 20 30 EIEDRO C[C@@H]1CCC[C@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000539495180 1040471341 /nfs/dbraw/zinc/47/13/41/1040471341.db2.gz GZHVHLBAZIMTKD-RTBURBONSA-N 1 0 339.527 4.329 20 30 EIEDRO CCC(CC)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)C ZINC000482854250 1040518605 /nfs/dbraw/zinc/51/86/05/1040518605.db2.gz IOVSFPNDJWIUHB-UHFFFAOYSA-N 1 0 326.444 4.255 20 30 EIEDRO CCCC[NH+]1CCC(Nc2c(C#N)cnc3c(F)cc(F)cc32)CC1 ZINC000462380807 1040536479 /nfs/dbraw/zinc/53/64/79/1040536479.db2.gz RGKLACJZWLELQF-UHFFFAOYSA-N 1 0 344.409 4.061 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)c1 ZINC000539587403 1040589914 /nfs/dbraw/zinc/58/99/14/1040589914.db2.gz CUKVAKYVIFPXRL-FOIQADDNSA-N 1 0 329.415 4.256 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)c1 ZINC000539587404 1040590198 /nfs/dbraw/zinc/59/01/98/1040590198.db2.gz CUKVAKYVIFPXRL-MGPUTAFESA-N 1 0 329.415 4.256 20 30 EIEDRO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551803009 1040594931 /nfs/dbraw/zinc/59/49/31/1040594931.db2.gz CTEPJYAWSKJIBK-UGKGYDQZSA-N 1 0 344.462 4.255 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000435743143 1040596674 /nfs/dbraw/zinc/59/66/74/1040596674.db2.gz YUZUCCNPSSULKP-SJLPKXTDSA-N 1 0 328.481 4.189 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)c(F)c1 ZINC000539608688 1040604136 /nfs/dbraw/zinc/60/41/36/1040604136.db2.gz ZDRGXNZDHHYHDF-KSSFIOAISA-N 1 0 341.405 4.156 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccsc1 ZINC000539610125 1040609520 /nfs/dbraw/zinc/60/95/20/1040609520.db2.gz QOKPKJRUGADJEE-IFXJQAMLSA-N 1 0 345.487 4.493 20 30 EIEDRO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428792512 1040656303 /nfs/dbraw/zinc/65/63/03/1040656303.db2.gz HHSSMMLZKXMDNG-IERDGZPVSA-N 1 0 343.430 4.321 20 30 EIEDRO Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000462489066 1040660308 /nfs/dbraw/zinc/66/03/08/1040660308.db2.gz XPNOPBOBZOSHQT-HXUWFJFHSA-N 1 0 343.430 4.301 20 30 EIEDRO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000552003087 1040759257 /nfs/dbraw/zinc/75/92/57/1040759257.db2.gz NPOHVNWKMYBBJW-QGZVFWFLSA-N 1 0 346.540 4.105 20 30 EIEDRO CC[N@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000483186749 1040764038 /nfs/dbraw/zinc/76/40/38/1040764038.db2.gz RJWJRXXKPOVRSK-ZDUSSCGKSA-N 1 0 335.373 4.499 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000539837790 1040831615 /nfs/dbraw/zinc/83/16/15/1040831615.db2.gz BSSUWHXDFLYCRG-UHFFFAOYSA-N 1 0 334.261 4.237 20 30 EIEDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000515564109 1040870127 /nfs/dbraw/zinc/87/01/27/1040870127.db2.gz HBMZDRGHDOCFCL-QGZVFWFLSA-N 1 0 346.352 4.363 20 30 EIEDRO C[N@@H+](CC#Cc1ccccc1)CCCc1cc(-c2ccccc2)no1 ZINC000483569657 1040899348 /nfs/dbraw/zinc/89/93/48/1040899348.db2.gz UYJXLLAJDVPULL-UHFFFAOYSA-N 1 0 330.431 4.258 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCCc3sccc32)cc(OC)c1O ZINC000160989053 1040899556 /nfs/dbraw/zinc/89/95/56/1040899556.db2.gz YVNZNZJABSUBTE-INIZCTEOSA-N 1 0 329.465 4.358 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000537957955 1040927944 /nfs/dbraw/zinc/92/79/44/1040927944.db2.gz ALVHRRFJWUEZNU-GJZGRUSLSA-N 1 0 329.513 4.455 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000462819071 1040996692 /nfs/dbraw/zinc/99/66/92/1040996692.db2.gz WMAAEHCQBGRNAI-PXNSSMCTSA-N 1 0 337.442 4.265 20 30 EIEDRO C[N@H+](CCc1cccc(Br)c1)Cc1ccc(C#N)s1 ZINC000462824153 1041003209 /nfs/dbraw/zinc/00/32/09/1041003209.db2.gz BQEBMIBYAGBFPY-UHFFFAOYSA-N 1 0 335.270 4.057 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000436300187 1041067960 /nfs/dbraw/zinc/06/79/60/1041067960.db2.gz UIZWTXOVCNUPJD-FCEUIQTBSA-N 1 0 337.463 4.355 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000436307477 1041076427 /nfs/dbraw/zinc/07/64/27/1041076427.db2.gz KILWMXCYGCNMGB-MKBNYLNASA-N 1 0 342.252 4.220 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000436312723 1041077834 /nfs/dbraw/zinc/07/78/34/1041077834.db2.gz VNEUBXINRVCQEP-VMGRFDJRSA-N 1 0 340.389 4.049 20 30 EIEDRO C=CCC[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000538127453 1041083439 /nfs/dbraw/zinc/08/34/39/1041083439.db2.gz JWSMPWJUAXFHFW-OAHLLOKOSA-N 1 0 326.415 4.234 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)ccc1OC(C)C ZINC000484081726 1041111105 /nfs/dbraw/zinc/11/11/05/1041111105.db2.gz FYHZWDGAPNEZKX-CQSZACIVSA-N 1 0 342.414 4.344 20 30 EIEDRO N#Cc1cccc(Cl)c1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000462931161 1041114139 /nfs/dbraw/zinc/11/41/39/1041114139.db2.gz XXAWJWUUZYKFSP-UHFFFAOYSA-N 1 0 339.870 4.331 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000554452538 1041125362 /nfs/dbraw/zinc/12/53/62/1041125362.db2.gz POGVCVIZZMNSNR-PQJGELLGSA-N 1 0 341.458 4.317 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000554452537 1041127522 /nfs/dbraw/zinc/12/75/22/1041127522.db2.gz POGVCVIZZMNSNR-IYXGRNATSA-N 1 0 341.458 4.317 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000538193804 1041161411 /nfs/dbraw/zinc/16/14/11/1041161411.db2.gz GOSFAKPCSWVBLC-AZUAARDMSA-N 1 0 325.839 4.059 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCSCC(F)(F)F)CC1 ZINC000540161693 1041195840 /nfs/dbraw/zinc/19/58/40/1041195840.db2.gz ZWCWDFCEJLPLES-UHFFFAOYSA-N 1 0 342.430 4.276 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000484337914 1041216046 /nfs/dbraw/zinc/21/60/46/1041216046.db2.gz JCLIWZOGBPDWFD-OAHLLOKOSA-N 1 0 347.418 4.292 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000425541616 1041217383 /nfs/dbraw/zinc/21/73/83/1041217383.db2.gz WZOOJUKFUZLNIF-ZDUSSCGKSA-N 1 0 341.361 4.224 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000161494900 1041236238 /nfs/dbraw/zinc/23/62/38/1041236238.db2.gz IFZZZMBRRYOCEH-MRXNPFEDSA-N 1 0 341.451 4.428 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000538280716 1041238840 /nfs/dbraw/zinc/23/88/40/1041238840.db2.gz YGIDIJBFSDANOD-LBPRGKRZSA-N 1 0 345.805 4.030 20 30 EIEDRO CC[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CCOCC1 ZINC000540179674 1041241507 /nfs/dbraw/zinc/24/15/07/1041241507.db2.gz ANUDDPGWKSKETI-MHJFOBGBSA-N 1 0 342.483 4.043 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425553308 1041249757 /nfs/dbraw/zinc/24/97/57/1041249757.db2.gz MCXUMIZCIJXXAC-FQEVSTJZSA-N 1 0 338.495 4.269 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(c3ccccc3)CC1)CC2 ZINC000515925472 1041255225 /nfs/dbraw/zinc/25/52/25/1041255225.db2.gz WOVITNMYBMYPNB-QFIPXVFZSA-N 1 0 331.463 4.052 20 30 EIEDRO N#Cc1ccc(CNc2cc3c(c[nH+]2)CCCC3)c(C(F)(F)F)c1 ZINC000461214405 1041306327 /nfs/dbraw/zinc/30/63/27/1041306327.db2.gz SPVWTJKGPPOFSC-UHFFFAOYSA-N 1 0 331.341 4.463 20 30 EIEDRO CCCC[C@@H](CC)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538396910 1041316941 /nfs/dbraw/zinc/31/69/41/1041316941.db2.gz IPBWKXSOOSZKKO-GOSISDBHSA-N 1 0 327.516 4.329 20 30 EIEDRO CC[C@H]([NH2+]CCOc1ccccc1C#N)c1ccccc1OC(F)F ZINC000540352627 1041392970 /nfs/dbraw/zinc/39/29/70/1041392970.db2.gz RMKPPODMEMSOCF-INIZCTEOSA-N 1 0 346.377 4.279 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000540347598 1041404856 /nfs/dbraw/zinc/40/48/56/1041404856.db2.gz KXPFDXWQZSMJQR-CQSZACIVSA-N 1 0 346.377 4.279 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)ccc1OC ZINC000538530702 1041407178 /nfs/dbraw/zinc/40/71/78/1041407178.db2.gz DDYFGTXOXZPKBB-RTBURBONSA-N 1 0 347.499 4.333 20 30 EIEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2Cl)C1 ZINC000463206669 1041420228 /nfs/dbraw/zinc/42/02/28/1041420228.db2.gz YVEOEJVGIYGSMS-FPWFTKFVSA-N 1 0 346.902 4.363 20 30 EIEDRO CCOc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)c1 ZINC000540381488 1041429683 /nfs/dbraw/zinc/42/96/83/1041429683.db2.gz VRWNHVZKVXHQJN-ZDUSSCGKSA-N 1 0 346.377 4.409 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000540397049 1041439854 /nfs/dbraw/zinc/43/98/54/1041439854.db2.gz NVVJNBHEOVLEGV-HKUYNNGSSA-N 1 0 325.452 4.101 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2cc(Cl)ccc2Br)C1 ZINC000463235552 1041441864 /nfs/dbraw/zinc/44/18/64/1041441864.db2.gz XLNYETUULDNRSN-BXUZGUMPSA-N 1 0 341.680 4.317 20 30 EIEDRO C[C@@H]([NH2+]Cc1ncccc1O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000554860809 1041451863 /nfs/dbraw/zinc/45/18/63/1041451863.db2.gz GFNOMNNKEMDYSN-OAHLLOKOSA-N 1 0 329.403 4.177 20 30 EIEDRO Cn1cc(C[NH2+]CCSCc2cccc3ccccc32)cc1C#N ZINC000480673263 1041465311 /nfs/dbraw/zinc/46/53/11/1041465311.db2.gz WJFCXJPHYGFWSU-UHFFFAOYSA-N 1 0 335.476 4.073 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000484859390 1041470706 /nfs/dbraw/zinc/47/07/06/1041470706.db2.gz SEKQSCXMXYKMLV-UHFFFAOYSA-N 1 0 340.511 4.491 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000904446297 1041488841 /nfs/dbraw/zinc/48/88/41/1041488841.db2.gz YBVIAJSACLXQGN-UTKZUKDTSA-N 1 0 341.499 4.274 20 30 EIEDRO C=CCc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](SCC)C2)cc(OC)c1O ZINC000538725319 1041516237 /nfs/dbraw/zinc/51/62/37/1041516237.db2.gz NVIBRWDHHFVALT-IAGOWNOFSA-N 1 0 335.513 4.235 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000538763389 1041536211 /nfs/dbraw/zinc/53/62/11/1041536211.db2.gz ASVCPZFPGLINFF-UHFFFAOYSA-N 1 0 329.484 4.423 20 30 EIEDRO C[C@@H]([NH2+]CCc1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000540598792 1041554376 /nfs/dbraw/zinc/55/43/76/1041554376.db2.gz SVKDVXXDXVIWKA-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO Cc1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(Cl)cc1C#N ZINC000461787514 1041588079 /nfs/dbraw/zinc/58/80/79/1041588079.db2.gz QCQYNTSQYKAJTL-MRXNPFEDSA-N 1 0 346.906 4.008 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000540700928 1041604054 /nfs/dbraw/zinc/60/40/54/1041604054.db2.gz ARHNIEQIUUMWGU-KXBFYZLASA-N 1 0 341.430 4.168 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000540700924 1041604383 /nfs/dbraw/zinc/60/43/83/1041604383.db2.gz ARHNIEQIUUMWGU-BEFAXECRSA-N 1 0 341.430 4.168 20 30 EIEDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000540708101 1041607381 /nfs/dbraw/zinc/60/73/81/1041607381.db2.gz SDAJKMWISKLRBJ-CJMONDIMSA-N 1 0 342.389 4.407 20 30 EIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)COCc1ccccc1 ZINC000540710208 1041619396 /nfs/dbraw/zinc/61/93/96/1041619396.db2.gz LPQNLOQRHSZMMI-HOTGVXAUSA-N 1 0 326.415 4.201 20 30 EIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437083193 1041630656 /nfs/dbraw/zinc/63/06/56/1041630656.db2.gz GHYAQXLYSRUADY-HJZRJOMTSA-N 1 0 327.472 4.202 20 30 EIEDRO CC(C)N(C)c1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000437088562 1041636674 /nfs/dbraw/zinc/63/66/74/1041636674.db2.gz YYMHFVGQDZYAOU-OAHLLOKOSA-N 1 0 325.431 4.393 20 30 EIEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437091084 1041638347 /nfs/dbraw/zinc/63/83/47/1041638347.db2.gz BZBBWLPVHVBQSJ-CNUHFLJVSA-N 1 0 347.462 4.166 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(Br)o1 ZINC000437085897 1041647194 /nfs/dbraw/zinc/64/71/94/1041647194.db2.gz COZSDQAMJGUWIU-HNNXBMFYSA-N 1 0 331.213 4.081 20 30 EIEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000463726410 1041722258 /nfs/dbraw/zinc/72/22/58/1041722258.db2.gz GWHOZGDZRURSKY-QMMMGPOBSA-N 1 0 333.247 4.197 20 30 EIEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000516900107 1041806788 /nfs/dbraw/zinc/80/67/88/1041806788.db2.gz XWCXCKAFQJTVES-DYESRHJHSA-N 1 0 347.462 4.012 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c(OC(F)F)c1 ZINC000437495980 1041822213 /nfs/dbraw/zinc/82/22/13/1041822213.db2.gz LGWJDWAZZJOQND-GOEBONIOSA-N 1 0 338.423 4.020 20 30 EIEDRO CCN(Cc1cccc(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000517124587 1041876445 /nfs/dbraw/zinc/87/64/45/1041876445.db2.gz MDINRBMOCMKHIF-PGRDOPGGSA-N 1 0 333.479 4.216 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000541348660 1041899750 /nfs/dbraw/zinc/89/97/50/1041899750.db2.gz FPYMLLASKPWXGD-UHFFFAOYSA-N 1 0 326.484 4.314 20 30 EIEDRO C[N@H+](CCOc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000506134070 1041917144 /nfs/dbraw/zinc/91/71/44/1041917144.db2.gz CUKAGOHUXGPLJB-UHFFFAOYSA-N 1 0 335.234 4.376 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2ncnc3sc4c(c32)CCCC4)CC1 ZINC000517306515 1041943105 /nfs/dbraw/zinc/94/31/05/1041943105.db2.gz LZRMJIGFUGNOKD-UHFFFAOYSA-N 1 0 342.512 4.023 20 30 EIEDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000541613992 1042037182 /nfs/dbraw/zinc/03/71/82/1042037182.db2.gz WGIALBRDMIUPAV-UKRRQHHQSA-N 1 0 344.503 4.054 20 30 EIEDRO Cc1cccc2oc(CCNC(=[NH2+])Nc3cccc(C(C)C)c3)nc21 ZINC000261951515 1042162785 /nfs/dbraw/zinc/16/27/85/1042162785.db2.gz LPVVJAGEAAUHEM-UHFFFAOYSA-N 1 0 336.439 4.229 20 30 EIEDRO CC[C@H](C[NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000438471795 1042189109 /nfs/dbraw/zinc/18/91/09/1042189109.db2.gz UZZXYGAGADPTEV-MDMXATFFSA-N 1 0 349.478 4.427 20 30 EIEDRO C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000383070379 1042215630 /nfs/dbraw/zinc/21/56/30/1042215630.db2.gz LLEXZDVHJRBUEQ-MRXNPFEDSA-N 1 0 339.870 4.312 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000518015454 1042313089 /nfs/dbraw/zinc/31/30/89/1042313089.db2.gz RCSHUXPZIJZLIR-QGZVFWFLSA-N 1 0 332.325 4.234 20 30 EIEDRO CC(C)C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000438784951 1042346287 /nfs/dbraw/zinc/34/62/87/1042346287.db2.gz UOVFFOABELZWPI-HXUWFJFHSA-N 1 0 335.451 4.264 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1ccccc1F ZINC000438834487 1042375707 /nfs/dbraw/zinc/37/57/07/1042375707.db2.gz TWLSETXQMZFQQV-UHFFFAOYSA-N 1 0 348.368 4.121 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000438835090 1042376133 /nfs/dbraw/zinc/37/61/33/1042376133.db2.gz JXGCYSGXRYVNNZ-NRFANRHFSA-N 1 0 337.511 4.484 20 30 EIEDRO C=C(C)CC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000509590447 1042395658 /nfs/dbraw/zinc/39/56/58/1042395658.db2.gz CWPHUNFBYZMTTD-LLVKDONJSA-N 1 0 336.233 4.116 20 30 EIEDRO CCC[C@@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000030269811 1042499504 /nfs/dbraw/zinc/49/95/04/1042499504.db2.gz FRKTWWWJHGCZFX-CQSZACIVSA-N 1 0 347.528 4.338 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCOCC2)c(Cl)c1 ZINC000784351068 1042501772 /nfs/dbraw/zinc/50/17/72/1042501772.db2.gz IBAMOGKJTZXGSK-HXUWFJFHSA-N 1 0 340.854 4.469 20 30 EIEDRO CCOCCC1(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CCCC1 ZINC000151876583 1042520315 /nfs/dbraw/zinc/52/03/15/1042520315.db2.gz WFMWBQHPDASRCK-QGZVFWFLSA-N 1 0 330.472 4.054 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)c(F)c1 ZINC000271940097 1042533307 /nfs/dbraw/zinc/53/33/07/1042533307.db2.gz LMBSQKAJGPOOOO-BEFAXECRSA-N 1 0 340.442 4.150 20 30 EIEDRO COC(=O)CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000271939072 1042535512 /nfs/dbraw/zinc/53/55/12/1042535512.db2.gz LFEXHIJXOCJXCK-AUUYWEPGSA-N 1 0 340.398 4.042 20 30 EIEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000090397592 1042539153 /nfs/dbraw/zinc/53/91/53/1042539153.db2.gz SVTVVIOQDZPXEU-FUHWJXTLSA-N 1 0 333.447 4.228 20 30 EIEDRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000492090156 1042556493 /nfs/dbraw/zinc/55/64/93/1042556493.db2.gz YPPVSWJPNSMGKF-MRXNPFEDSA-N 1 0 345.240 4.327 20 30 EIEDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437894212 1042561658 /nfs/dbraw/zinc/56/16/58/1042561658.db2.gz HHQCTMAUSXETQV-LSDHHAIUSA-N 1 0 340.439 4.266 20 30 EIEDRO CCCc1nc(C)c(CNCc2ccc(C#N)cc2C(F)(F)F)o1 ZINC000492196609 1042573353 /nfs/dbraw/zinc/57/33/53/1042573353.db2.gz ZBNPIYGPRVSAJC-UHFFFAOYSA-N 1 0 337.345 4.116 20 30 EIEDRO Cc1cccc(-c2n[nH]cc2C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000506547248 1042587402 /nfs/dbraw/zinc/58/74/02/1042587402.db2.gz PVHFLPBTMVJXCM-UHFFFAOYSA-N 1 0 342.446 4.421 20 30 EIEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000518602999 1042590067 /nfs/dbraw/zinc/59/00/67/1042590067.db2.gz AZMJULPWYWGLTJ-NRFANRHFSA-N 1 0 336.479 4.401 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000271975869 1042601215 /nfs/dbraw/zinc/60/12/15/1042601215.db2.gz XYCRFIGRCGSVLI-FZKQIMNGSA-N 1 0 340.398 4.270 20 30 EIEDRO Cc1ccc(C2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)cn1 ZINC000439420440 1042615644 /nfs/dbraw/zinc/61/56/44/1042615644.db2.gz IXMPXTCPCNNVDV-UHFFFAOYSA-N 1 0 325.843 4.295 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c(Cl)c1 ZINC000439444004 1042628127 /nfs/dbraw/zinc/62/81/27/1042628127.db2.gz OCWRLBNVMBRGGJ-UZLBHIALSA-N 1 0 340.854 4.469 20 30 EIEDRO COCCN(Cc1ccc(C#N)cc1Cl)[C@@H](C)c1ccccc1 ZINC000439462467 1042648558 /nfs/dbraw/zinc/64/85/58/1042648558.db2.gz POAALPFOLGODOQ-HNNXBMFYSA-N 1 0 328.843 4.421 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccc(C#N)c(F)c1 ZINC000272028153 1042668439 /nfs/dbraw/zinc/66/84/39/1042668439.db2.gz OHYNYLKBVPHSCG-XIKOKIGWSA-N 1 0 328.362 4.401 20 30 EIEDRO C=CCc1cc(C[N@H+](Cc2cccs2)C2CC2)cc(OC)c1O ZINC000506615248 1042688752 /nfs/dbraw/zinc/68/87/52/1042688752.db2.gz JFXWYLDSNWBMNT-UHFFFAOYSA-N 1 0 329.465 4.355 20 30 EIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3Cl)C2)c(F)c1 ZINC000518818654 1042708932 /nfs/dbraw/zinc/70/89/32/1042708932.db2.gz LQSDCIGPEYLIFD-MRXNPFEDSA-N 1 0 343.833 4.109 20 30 EIEDRO Cc1cc(C)n(-c2ccc(CC[NH2+]Cc3ccc(C#N)c(C)c3)cc2)n1 ZINC000443981913 1042719015 /nfs/dbraw/zinc/71/90/15/1042719015.db2.gz UHUYFVJSGZBFFX-UHFFFAOYSA-N 1 0 344.462 4.002 20 30 EIEDRO C=CCOc1ccccc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000506640394 1042719366 /nfs/dbraw/zinc/71/93/66/1042719366.db2.gz YRSZSSJQJRPTGO-UHFFFAOYSA-N 1 0 345.446 4.417 20 30 EIEDRO COc1ccccc1[C@@H](NCc1ccc(C#N)c(C)c1)c1ccco1 ZINC000443986460 1042726967 /nfs/dbraw/zinc/72/69/67/1042726967.db2.gz IXXMJGLGQMQURZ-OAQYLSRUSA-N 1 0 332.403 4.348 20 30 EIEDRO N#CCC[C@@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccccc1 ZINC000518899834 1042750147 /nfs/dbraw/zinc/75/01/47/1042750147.db2.gz NWTPEHKRZXBTOZ-LJQANCHMSA-N 1 0 336.435 4.373 20 30 EIEDRO C=CCN(Cc1ccc(OCOCC)cc1)Cc1ccccc1F ZINC000783433904 1042787610 /nfs/dbraw/zinc/78/76/10/1042787610.db2.gz CAIOVVJQKTVVER-UHFFFAOYSA-N 1 0 329.415 4.387 20 30 EIEDRO C=CCC(CC=C)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000130185693 1042823062 /nfs/dbraw/zinc/82/30/62/1042823062.db2.gz HTHDOKSRJKGJQQ-UHFFFAOYSA-N 1 0 340.511 4.125 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000310459524 1042838131 /nfs/dbraw/zinc/83/81/31/1042838131.db2.gz PYXZRAPPMUFPLB-NRFANRHFSA-N 1 0 336.479 4.006 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](CC)c2cccc(Br)c2)CC1 ZINC000177912353 1042854730 /nfs/dbraw/zinc/85/47/30/1042854730.db2.gz PVLWBINGDDLHJZ-KRWDZBQOSA-N 1 0 337.305 4.140 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000067401282 1042882650 /nfs/dbraw/zinc/88/26/50/1042882650.db2.gz XKDMTZXQZWAZHK-HXUWFJFHSA-N 1 0 340.854 4.157 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2CCC(C)C)c(C#N)c1C ZINC000493391810 1042899688 /nfs/dbraw/zinc/89/96/88/1042899688.db2.gz WVZVNZSFHZUUFM-LESCRADOSA-N 1 0 345.487 4.290 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCCc3ccccc32)cc1 ZINC000237204947 1042928617 /nfs/dbraw/zinc/92/86/17/1042928617.db2.gz KXIRWTLAXUIRSZ-FQEVSTJZSA-N 1 0 333.479 4.246 20 30 EIEDRO Cc1cc(-c2noc([C@@H]3[NH2+]CCC[C@@H]3c3ccccc3)n2)ccc1C#N ZINC001211870614 1042939591 /nfs/dbraw/zinc/93/95/91/1042939591.db2.gz SXVBRQVWDFQJAC-RTBURBONSA-N 1 0 344.418 4.125 20 30 EIEDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C#N)cc3)c2C1 ZINC000076171323 1043067838 /nfs/dbraw/zinc/06/78/38/1043067838.db2.gz DUGGHVDVAXJPIH-UHFFFAOYSA-N 1 0 333.435 4.172 20 30 EIEDRO N#Cc1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000309651606 1043075841 /nfs/dbraw/zinc/07/58/41/1043075841.db2.gz AIETXCYQAPQJLW-INIZCTEOSA-N 1 0 325.843 4.146 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC000766032462 1043080515 /nfs/dbraw/zinc/08/05/15/1043080515.db2.gz VPZKGNRVHOKUFX-QFBILLFUSA-N 1 0 345.870 4.072 20 30 EIEDRO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000008485258 1043101886 /nfs/dbraw/zinc/10/18/86/1043101886.db2.gz HMFBVUPXURGFBO-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2ccccc2OCc2ccccc2)c1 ZINC000310339670 1043126079 /nfs/dbraw/zinc/12/60/79/1043126079.db2.gz MGKVCAKKQFKXQD-UHFFFAOYSA-N 1 0 334.444 4.489 20 30 EIEDRO Cc1ccc(C#N)c(NCc2ccccc2C[N@H+](C)Cc2ccco2)n1 ZINC000161556524 1043179152 /nfs/dbraw/zinc/17/91/52/1043179152.db2.gz NMDYSSQAFUXADI-UHFFFAOYSA-N 1 0 346.434 4.099 20 30 EIEDRO C=CC[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000427772515 1043193853 /nfs/dbraw/zinc/19/38/53/1043193853.db2.gz VJNAABVSXBYDPI-QIJUGHKUSA-N 1 0 348.490 4.126 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000185804591 1043219936 /nfs/dbraw/zinc/21/99/36/1043219936.db2.gz LUHZILCYKFUUEJ-ZWNOBZJWSA-N 1 0 327.653 4.274 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1OC1CCCC1 ZINC000185813263 1043221688 /nfs/dbraw/zinc/22/16/88/1043221688.db2.gz HTMORUJTGASDAX-DOTOQJQBSA-N 1 0 328.456 4.189 20 30 EIEDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1OC1CCCC1 ZINC000185824494 1043221958 /nfs/dbraw/zinc/22/19/58/1043221958.db2.gz NHCJIUORTBDOTN-DOTOQJQBSA-N 1 0 328.456 4.189 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000185862406 1043226543 /nfs/dbraw/zinc/22/65/43/1043226543.db2.gz FMSNEDNJNDMOLL-DZGCQCFKSA-N 1 0 326.362 4.108 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCSC(F)(F)F)cc1Cl ZINC000727467197 1043226812 /nfs/dbraw/zinc/22/68/12/1043226812.db2.gz VDRPMUOWGUGDHK-UHFFFAOYSA-N 1 0 325.783 4.247 20 30 EIEDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cc(C#N)ccc1Br ZINC000921999064 1043286950 /nfs/dbraw/zinc/28/69/50/1043286950.db2.gz IWQDFMSQOPXLBT-NSHDSACASA-N 1 0 335.167 4.141 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467434757 1043375800 /nfs/dbraw/zinc/37/58/00/1043375800.db2.gz PJUJGWPDLHHUTP-AWEZNQCLSA-N 1 0 348.475 4.279 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467434758 1043376191 /nfs/dbraw/zinc/37/61/91/1043376191.db2.gz PJUJGWPDLHHUTP-CQSZACIVSA-N 1 0 348.475 4.279 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000730019591 1043435817 /nfs/dbraw/zinc/43/58/17/1043435817.db2.gz MIWBOHAHFAUGKA-UHFFFAOYSA-N 1 0 336.479 4.189 20 30 EIEDRO CCc1nc2cc(C[NH2+]Cc3csc(C#N)c3)ccc2n1C1CC1 ZINC000922112103 1043513974 /nfs/dbraw/zinc/51/39/74/1043513974.db2.gz POWMIDJTIIEQTN-UHFFFAOYSA-N 1 0 336.464 4.157 20 30 EIEDRO Cc1ccc(Br)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000438904902 1043587177 /nfs/dbraw/zinc/58/71/77/1043587177.db2.gz OLMGRVXMPFRMAU-UHFFFAOYSA-N 1 0 333.204 4.058 20 30 EIEDRO Cc1ccc2nc(C[N@H+](Cc3ccc(C#N)cc3)CC(C)C)cn2c1 ZINC000521195694 1043646303 /nfs/dbraw/zinc/64/63/03/1043646303.db2.gz OTZGQXJHOYOJNV-UHFFFAOYSA-N 1 0 332.451 4.173 20 30 EIEDRO Cc1nc(C(C)C)oc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000428251131 1043694411 /nfs/dbraw/zinc/69/44/11/1043694411.db2.gz SWWGMUZUMDNQDF-UHFFFAOYSA-N 1 0 339.439 4.022 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](CCO)c1ccccc1 ZINC000521321825 1043707926 /nfs/dbraw/zinc/70/79/26/1043707926.db2.gz JPSCYTYXLVOENT-SFHVURJKSA-N 1 0 348.368 4.133 20 30 EIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731212017 1043713878 /nfs/dbraw/zinc/71/38/78/1043713878.db2.gz OAROYBZDQBEVGD-OAQYLSRUSA-N 1 0 336.435 4.107 20 30 EIEDRO C[C@@H](Cc1ccco1)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000731360478 1043739422 /nfs/dbraw/zinc/73/94/22/1043739422.db2.gz FWFYTDMAWCLTDA-KRWDZBQOSA-N 1 0 346.430 4.451 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccnc3ccccc23)cc(OC)c1OC ZINC000731361002 1043741233 /nfs/dbraw/zinc/74/12/33/1043741233.db2.gz UZWOCONBUZHFLK-UHFFFAOYSA-N 1 0 348.446 4.270 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@H](c3ccc(F)cc3)C1)CC2 ZINC000555000026 1043754243 /nfs/dbraw/zinc/75/42/43/1043754243.db2.gz QPTCIPPHCJEWIS-TYPHKJRUSA-N 1 0 336.410 4.195 20 30 EIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc4occc4c3)CC2)cc1 ZINC000347690258 1043758469 /nfs/dbraw/zinc/75/84/69/1043758469.db2.gz XAOUCVLBVFGYAU-UHFFFAOYSA-N 1 0 345.446 4.012 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000761638292 1043771597 /nfs/dbraw/zinc/77/15/97/1043771597.db2.gz UKDZFXLKOIKAJO-XUVXKRRUSA-N 1 0 325.500 4.485 20 30 EIEDRO CC(C)(NCC#Cc1ccc(Cl)cc1)c1cc(C(F)(F)F)on1 ZINC000429233009 1043774826 /nfs/dbraw/zinc/77/48/26/1043774826.db2.gz CQHMHVZUKWRWPU-UHFFFAOYSA-N 1 0 342.748 4.223 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000542487927 1043800815 /nfs/dbraw/zinc/80/08/15/1043800815.db2.gz CVJLAQMSDDBHJM-GFCCVEGCSA-N 1 0 328.909 4.083 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCC2)C1 ZINC000442712693 1043816416 /nfs/dbraw/zinc/81/64/16/1043816416.db2.gz GVHCRMAIWGFAJB-XJKSGUPXSA-N 1 0 333.273 4.153 20 30 EIEDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191590458 1043829075 /nfs/dbraw/zinc/82/90/75/1043829075.db2.gz PHGRXGXNLRGFNN-NRFANRHFSA-N 1 0 348.490 4.122 20 30 EIEDRO CC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)Oc1cccc(C(F)(F)F)c1 ZINC000442791774 1043841187 /nfs/dbraw/zinc/84/11/87/1043841187.db2.gz MOIBHSSSEJQIBQ-AEGPPILISA-N 1 0 326.362 4.145 20 30 EIEDRO C[C@H](C/N=C\c1c(O)ccc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000731937318 1043851366 /nfs/dbraw/zinc/85/13/66/1043851366.db2.gz JBAPUQQYOPHVIU-XMSCMFJESA-N 1 0 332.447 4.485 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1F ZINC000192081191 1043869371 /nfs/dbraw/zinc/86/93/71/1043869371.db2.gz LLMGCBYCXLAFDA-ZWKOTPCHSA-N 1 0 348.780 4.110 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1cccc(O)c1 ZINC000442876947 1043878164 /nfs/dbraw/zinc/87/81/64/1043878164.db2.gz SVELUJKKFQEXAZ-MYWSLZCHSA-N 1 0 336.435 4.305 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000732183236 1043883632 /nfs/dbraw/zinc/88/36/32/1043883632.db2.gz NFDWJOSINYWQRG-OAHLLOKOSA-N 1 0 339.464 4.354 20 30 EIEDRO C=CCOc1cccc(C[NH2+]CC(=O)Nc2cccc3ccccc32)c1 ZINC000732231500 1043891285 /nfs/dbraw/zinc/89/12/85/1043891285.db2.gz OYWRDOVTTSGEOK-UHFFFAOYSA-N 1 0 346.430 4.133 20 30 EIEDRO C[C@@H](O)C[N@H+](Cc1cc(C#N)cs1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000442967268 1043928288 /nfs/dbraw/zinc/92/82/88/1043928288.db2.gz ORKGXAJLOASTOO-ZIAGYGMSSA-N 1 0 348.899 4.087 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1cccc(C#N)c1 ZINC000467447542 1043940824 /nfs/dbraw/zinc/94/08/24/1043940824.db2.gz AEFMBGIUIVZHAN-CQSZACIVSA-N 1 0 332.369 4.340 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000067449804 1043953539 /nfs/dbraw/zinc/95/35/39/1043953539.db2.gz JIJZFPZAJIWVOY-CYBMUJFWSA-N 1 0 334.341 4.350 20 30 EIEDRO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245778502 1044186489 /nfs/dbraw/zinc/18/64/89/1044186489.db2.gz ZONBEPVSGDDPTP-WMLDXEAASA-N 1 0 343.496 4.173 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccccc2C(F)(F)F)cc1 ZINC000733325671 1044188764 /nfs/dbraw/zinc/18/87/64/1044188764.db2.gz SELWKTSQOKMUAF-UHFFFAOYSA-N 1 0 347.380 4.440 20 30 EIEDRO CCc1ccc(C[NH2+]Cc2ccc(OC)c(O[C@@H](C#N)CC)c2)s1 ZINC000733330320 1044197099 /nfs/dbraw/zinc/19/70/99/1044197099.db2.gz UHLJMCGYUZZPIS-OAHLLOKOSA-N 1 0 344.480 4.290 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)CSC)c1ccc(C(F)(F)F)cc1 ZINC000494786670 1044242946 /nfs/dbraw/zinc/24/29/46/1044242946.db2.gz GNJCCWSKZKMMAX-CABCVRRESA-N 1 0 333.419 4.026 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000132505145 1044257852 /nfs/dbraw/zinc/25/78/52/1044257852.db2.gz RBLSORACEPGISA-MRXNPFEDSA-N 1 0 331.341 4.139 20 30 EIEDRO Cc1ccc(-c2ncc(C[NH2+]CCc3cccc(C#N)c3)s2)cc1 ZINC000466409056 1044404193 /nfs/dbraw/zinc/40/41/93/1044404193.db2.gz JUYSADBRXUDIAQ-UHFFFAOYSA-N 1 0 333.460 4.323 20 30 EIEDRO C=CCCCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000474086598 1044433964 /nfs/dbraw/zinc/43/39/64/1044433964.db2.gz BIJHQIYINBUNMV-GOSISDBHSA-N 1 0 335.536 4.029 20 30 EIEDRO COc1cc(Cl)c(C[NH2+]CCc2cccc(C#N)c2)cc1Cl ZINC000466425407 1044449319 /nfs/dbraw/zinc/44/93/19/1044449319.db2.gz MTWWGSOWCUYMKC-UHFFFAOYSA-N 1 0 335.234 4.206 20 30 EIEDRO C[C@H](C/N=C/c1c(O)ccc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000914558314 1044481161 /nfs/dbraw/zinc/48/11/61/1044481161.db2.gz SSLYWGFGDWWMQD-HIQXPHMNSA-N 1 0 344.458 4.411 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2nc3ccccc3s2)cc1 ZINC000734163131 1044508457 /nfs/dbraw/zinc/50/84/57/1044508457.db2.gz AXFPBUVHTRACKY-ZIAGYGMSSA-N 1 0 337.448 4.438 20 30 EIEDRO C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000734295783 1044524338 /nfs/dbraw/zinc/52/43/38/1044524338.db2.gz KBALWJORQVSUKF-OAHLLOKOSA-N 1 0 338.411 4.047 20 30 EIEDRO C[C@@H]1CC(N=Nc2ncccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000734299327 1044526096 /nfs/dbraw/zinc/52/60/96/1044526096.db2.gz UUBZOFGZOHHWBM-CQSZACIVSA-N 1 0 328.847 4.187 20 30 EIEDRO C[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C)C1 ZINC000443644945 1044602457 /nfs/dbraw/zinc/60/24/57/1044602457.db2.gz ZOVRZXRHSUDYJB-DLBZAZTESA-N 1 0 337.467 4.106 20 30 EIEDRO C=C(C)COc1cc(CNc2ccc(C[NH+](C)C)cc2)ccc1OC ZINC000676314417 1044713649 /nfs/dbraw/zinc/71/36/49/1044713649.db2.gz CWSVLCSRIOPDOG-UHFFFAOYSA-N 1 0 340.467 4.324 20 30 EIEDRO CC(C)[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000428862534 1044755749 /nfs/dbraw/zinc/75/57/49/1044755749.db2.gz VEAVNUKOYSFBTF-IBGZPJMESA-N 1 0 349.478 4.405 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OC(F)F)c(F)c1 ZINC000495185257 1044763465 /nfs/dbraw/zinc/76/34/65/1044763465.db2.gz UHKIMDVOGWYWGS-UHFFFAOYSA-N 1 0 325.330 4.251 20 30 EIEDRO C[N@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000676556604 1044790964 /nfs/dbraw/zinc/79/09/64/1044790964.db2.gz SONSAMUCQWNXQV-IFMALSPDSA-N 1 0 337.438 4.277 20 30 EIEDRO CC1CC[NH+](C2CCC(Nc3ncc(C#N)cc3Cl)CC2)CC1 ZINC000132169329 1044791892 /nfs/dbraw/zinc/79/18/92/1044791892.db2.gz JPNCJQPDIAOXTC-UHFFFAOYSA-N 1 0 332.879 4.062 20 30 EIEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC000237301612 1044813159 /nfs/dbraw/zinc/81/31/59/1044813159.db2.gz DVKZXOZMYUXRCK-LBPRGKRZSA-N 1 0 349.297 4.493 20 30 EIEDRO Clc1ccccc1C#CCN1CCCO[C@H](c2ccccc2)C1 ZINC000676714518 1044827388 /nfs/dbraw/zinc/82/73/88/1044827388.db2.gz LNLCOEILIMVDGL-FQEVSTJZSA-N 1 0 325.839 4.155 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1)C(C)C ZINC000155085301 1044865888 /nfs/dbraw/zinc/86/58/88/1044865888.db2.gz CEKSXJSHJAZBBT-UHFFFAOYSA-N 1 0 335.451 4.349 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428974072 1044926472 /nfs/dbraw/zinc/92/64/72/1044926472.db2.gz HQTLDDQAEDIRIU-TYCQWZJGSA-N 1 0 338.426 4.138 20 30 EIEDRO Cc1nc2c(cccc2CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)o1 ZINC000922772386 1044941794 /nfs/dbraw/zinc/94/17/94/1044941794.db2.gz ULGLJDZDXNNECR-UHFFFAOYSA-N 1 0 333.435 4.270 20 30 EIEDRO Cc1ccc(C[N@H+](CCOCCC#N)CCc2ccccc2)s1 ZINC000338881904 1044972457 /nfs/dbraw/zinc/97/24/57/1044972457.db2.gz WCKHANBFVMJAJN-UHFFFAOYSA-N 1 0 328.481 4.032 20 30 EIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1ccc(C#N)cc1 ZINC000125420618 1044994356 /nfs/dbraw/zinc/99/43/56/1044994356.db2.gz BVGIWKGXMMTZIW-UHFFFAOYSA-N 1 0 337.492 4.028 20 30 EIEDRO C=CCC1([NH2+]Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CCCCC1 ZINC000625936031 1045042528 /nfs/dbraw/zinc/04/25/28/1045042528.db2.gz XJNPPHKGILJZOC-UHFFFAOYSA-N 1 0 343.496 4.254 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000542558366 1045113670 /nfs/dbraw/zinc/11/36/70/1045113670.db2.gz ORFNXABJSPNCPV-AWEZNQCLSA-N 1 0 347.871 4.343 20 30 EIEDRO CCOc1ccc(/C=N/C[C@H](c2ccsc2)[NH+](CC)CC)c(O)c1 ZINC000915114862 1045114204 /nfs/dbraw/zinc/11/42/04/1045114204.db2.gz RVRVSVYFPJYXMU-BAOGCXAUSA-N 1 0 346.496 4.354 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)cc1 ZINC000509420698 1045148517 /nfs/dbraw/zinc/14/85/17/1045148517.db2.gz ZPAFHZMFSZPFMA-IBGZPJMESA-N 1 0 327.399 4.176 20 30 EIEDRO C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000131189131 1045171535 /nfs/dbraw/zinc/17/15/35/1045171535.db2.gz GMPGUCSRWRJZBS-UHFFFAOYSA-N 1 0 336.826 4.234 20 30 EIEDRO C=CCCCCC[N@@H+](C)C[C@@H](O)c1ccc(Br)cc1 ZINC000739930777 1045176809 /nfs/dbraw/zinc/17/68/09/1045176809.db2.gz ORGCQXILOSVJLI-MRXNPFEDSA-N 1 0 326.278 4.161 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccncc1 ZINC000766018422 1045193187 /nfs/dbraw/zinc/19/31/87/1045193187.db2.gz HSYSGPNIWLHHCU-PBHICJAKSA-N 1 0 342.439 4.075 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1F)c1ccncc1 ZINC000766020915 1045233341 /nfs/dbraw/zinc/23/33/41/1045233341.db2.gz QYTVKBZMKGBBBI-SUMWQHHRSA-N 1 0 330.403 4.206 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1F)c1ccncc1 ZINC000766020914 1045233972 /nfs/dbraw/zinc/23/39/72/1045233972.db2.gz QYTVKBZMKGBBBI-GUYCJALGSA-N 1 0 330.403 4.206 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1F)c1ccncc1 ZINC000766020913 1045234048 /nfs/dbraw/zinc/23/40/48/1045234048.db2.gz QYTVKBZMKGBBBI-DYVFJYSZSA-N 1 0 330.403 4.206 20 30 EIEDRO CC[C@@H](C)Oc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1OC ZINC000611254317 1045266791 /nfs/dbraw/zinc/26/67/91/1045266791.db2.gz DSUOWYSNUGOPLD-MRXNPFEDSA-N 1 0 338.451 4.376 20 30 EIEDRO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000611262737 1045269466 /nfs/dbraw/zinc/26/94/66/1045269466.db2.gz OCTFLVGVIHGZJR-QGZVFWFLSA-N 1 0 336.435 4.325 20 30 EIEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266724 1045270877 /nfs/dbraw/zinc/27/08/77/1045270877.db2.gz DAVJLLZKPIUHDI-PKOBYXMFSA-N 1 0 326.465 4.219 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000611276540 1045274448 /nfs/dbraw/zinc/27/44/48/1045274448.db2.gz JCSVSKRXDQAIJS-HMXCVIKNSA-N 1 0 332.447 4.324 20 30 EIEDRO C[N@@H+](Cc1cccc(C#N)c1F)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611371288 1045290965 /nfs/dbraw/zinc/29/09/65/1045290965.db2.gz JEUCGCKNZYSTIX-FPOVZHCZSA-N 1 0 338.426 4.297 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)ccn1 ZINC000611382877 1045291904 /nfs/dbraw/zinc/29/19/04/1045291904.db2.gz REISGVGISHHQMX-FQEVSTJZSA-N 1 0 347.393 4.002 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)ccn1 ZINC000611385412 1045292691 /nfs/dbraw/zinc/29/26/91/1045292691.db2.gz KFTHBXJMEQVNQZ-NRFANRHFSA-N 1 0 349.384 4.305 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 ZINC000611389194 1045296039 /nfs/dbraw/zinc/29/60/39/1045296039.db2.gz YJSLFWGKHUZDHC-NSHDSACASA-N 1 0 348.233 4.154 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000611391994 1045297881 /nfs/dbraw/zinc/29/78/81/1045297881.db2.gz DNXWWMAHXDVDKI-BHDDXSALSA-N 1 0 332.447 4.446 20 30 EIEDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)N2CCCC2)o1 ZINC000611392197 1045297956 /nfs/dbraw/zinc/29/79/56/1045297956.db2.gz JVJFXASUZZLUHK-RTWAWAEBSA-N 1 0 349.478 4.264 20 30 EIEDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000611394401 1045298568 /nfs/dbraw/zinc/29/85/68/1045298568.db2.gz HLPOVZPKNSLVFE-SFTDATJTSA-N 1 0 345.446 4.023 20 30 EIEDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393055 1045298841 /nfs/dbraw/zinc/29/88/41/1045298841.db2.gz FEMJPJVFFBQZHC-WOJBJXKFSA-N 1 0 334.419 4.058 20 30 EIEDRO COc1ccc(O[C@@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611393192 1045299198 /nfs/dbraw/zinc/29/91/98/1045299198.db2.gz NNZDTYOMKFYVQF-YCRPNKLZSA-N 1 0 336.435 4.001 20 30 EIEDRO C[C@H](O)C[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611393923 1045299407 /nfs/dbraw/zinc/29/94/07/1045299407.db2.gz STRVBFKPYYJKLL-AQKFKSFVSA-N 1 0 334.463 4.080 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1-n1cccn1 ZINC000611394012 1045299728 /nfs/dbraw/zinc/29/97/28/1045299728.db2.gz XQNFWHICPNSXGH-IIBYNOLFSA-N 1 0 342.446 4.472 20 30 EIEDRO Cn1cc(-c2ccccc2C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611394995 1045300731 /nfs/dbraw/zinc/30/07/31/1045300731.db2.gz BVUMOFYQHQSWGD-JOCHJYFZSA-N 1 0 342.446 4.126 20 30 EIEDRO CCCCCn1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000611395166 1045300775 /nfs/dbraw/zinc/30/07/75/1045300775.db2.gz OLHPUPZKABDYHH-OAQYLSRUSA-N 1 0 336.483 4.421 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000611390180 1045302074 /nfs/dbraw/zinc/30/20/74/1045302074.db2.gz HZZUMBMTHIDDIA-PKTZIBPZSA-N 1 0 345.490 4.362 20 30 EIEDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611390225 1045302488 /nfs/dbraw/zinc/30/24/88/1045302488.db2.gz LABMIYKCABPGGW-NRFANRHFSA-N 1 0 347.462 4.320 20 30 EIEDRO C[C@@H](COc1ccc(F)cc1F)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391240 1045302778 /nfs/dbraw/zinc/30/27/78/1045302778.db2.gz ICVUISGUOXNMOS-DJJJIMSYSA-N 1 0 342.389 4.271 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CC2 ZINC000611438841 1045307747 /nfs/dbraw/zinc/30/77/47/1045307747.db2.gz BAASJDIRTVTLHW-QHCPKHFHSA-N 1 0 345.490 4.108 20 30 EIEDRO Cc1ccccc1C1(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000237697933 1045393322 /nfs/dbraw/zinc/39/33/22/1045393322.db2.gz MIGOXBWUCPVFLK-UHFFFAOYSA-N 1 0 334.463 4.499 20 30 EIEDRO C[C@@H](Cc1cccc(F)c1)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001168494911 1045399624 /nfs/dbraw/zinc/39/96/24/1045399624.db2.gz DUNBVJJSMPAGAE-INIZCTEOSA-N 1 0 338.426 4.172 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(OC(F)F)cc1 ZINC000272317646 1045412288 /nfs/dbraw/zinc/41/22/88/1045412288.db2.gz VDJNDNFALGGLGC-ZDUSSCGKSA-N 1 0 328.362 4.500 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1OC ZINC000272314225 1045412358 /nfs/dbraw/zinc/41/23/58/1045412358.db2.gz ULIITLMHJASHCQ-HNNXBMFYSA-N 1 0 336.435 4.224 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168496215 1045415940 /nfs/dbraw/zinc/41/59/40/1045415940.db2.gz HBYZCAAVOOACEO-RTBURBONSA-N 1 0 344.405 4.247 20 30 EIEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(OC)c(OC)c1 ZINC000272342577 1045422642 /nfs/dbraw/zinc/42/26/42/1045422642.db2.gz ZTGVOQYQQCZEJI-SFHVURJKSA-N 1 0 336.435 4.305 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000495911612 1045440894 /nfs/dbraw/zinc/44/08/94/1045440894.db2.gz LQEAWGFTMQBXJN-ZRZPHAQCSA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)CCC#N ZINC000495944493 1045447110 /nfs/dbraw/zinc/44/71/10/1045447110.db2.gz FPHOGARPPFXONE-HOTGVXAUSA-N 1 0 337.508 4.084 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1oc2ccccc2c1C)C(C)C ZINC000496000439 1045456167 /nfs/dbraw/zinc/45/61/67/1045456167.db2.gz VOADADDWYVAOAT-SFHVURJKSA-N 1 0 340.467 4.170 20 30 EIEDRO C=CC1(CC(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)CCCCC1 ZINC001129364759 1045521154 /nfs/dbraw/zinc/52/11/54/1045521154.db2.gz SROZWOBHKWDKLM-LJQANCHMSA-N 1 0 340.511 4.423 20 30 EIEDRO CCCCC[C@@H]1CCC[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000767761726 1045629927 /nfs/dbraw/zinc/62/99/27/1045629927.db2.gz KULKNVQJXKUAOO-LJQANCHMSA-N 1 0 337.471 4.127 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000790995833 1045648644 /nfs/dbraw/zinc/64/86/44/1045648644.db2.gz RSUWPLSRTCRNDE-HXUWFJFHSA-N 1 0 341.499 4.008 20 30 EIEDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C#N)cc1 ZINC000768094022 1045709837 /nfs/dbraw/zinc/70/98/37/1045709837.db2.gz RNUATZLCDPQAKU-MRXNPFEDSA-N 1 0 341.436 4.127 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2cccc(Cl)c2)cc1 ZINC000768173783 1045736193 /nfs/dbraw/zinc/73/61/93/1045736193.db2.gz FLTLNJHDUAPQHY-UHFFFAOYSA-N 1 0 327.859 4.322 20 30 EIEDRO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000768206808 1045742731 /nfs/dbraw/zinc/74/27/31/1045742731.db2.gz IHRBWCRWKQARTC-HNNXBMFYSA-N 1 0 325.481 4.217 20 30 EIEDRO Cc1ccc([C@@H](NCc2ccc(OCC#N)cc2)c2ccccn2)cc1 ZINC000791639879 1045790972 /nfs/dbraw/zinc/79/09/72/1045790972.db2.gz OVUQWNRIWGPVFV-JOCHJYFZSA-N 1 0 343.430 4.172 20 30 EIEDRO CC[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000763242896 1045791251 /nfs/dbraw/zinc/79/12/51/1045791251.db2.gz XVMOEGYETKAXIJ-COPCDDAFSA-N 1 0 334.463 4.107 20 30 EIEDRO Oc1cccc(/C=N\Cc2cccc(C[NH+]3CCCCCC3)c2)c1O ZINC000747033732 1045799802 /nfs/dbraw/zinc/79/98/02/1045799802.db2.gz UMTATDNBHNKWMF-JCMHNJIXSA-N 1 0 338.451 4.093 20 30 EIEDRO Clc1cccnc1N=NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000768361422 1045799934 /nfs/dbraw/zinc/79/99/34/1045799934.db2.gz QKBQNBGFMAEMOI-CALCHBBNSA-N 1 0 340.858 4.330 20 30 EIEDRO Cc1noc(C)c1CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768406658 1045803296 /nfs/dbraw/zinc/80/32/96/1045803296.db2.gz LBXZVHILOJCQDM-UHFFFAOYSA-N 1 0 337.467 4.218 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(N=Nc3cc(C#N)cc(Cl)n3)CC2)C1 ZINC000768376022 1045803323 /nfs/dbraw/zinc/80/33/23/1045803323.db2.gz QNUPKTNUMKLNHQ-XJKSGUPXSA-N 1 0 345.878 4.049 20 30 EIEDRO C=CC[N@@H+](Cc1cc(Br)c(OCC)c(OC)c1)C(C)C ZINC000768548099 1045822237 /nfs/dbraw/zinc/82/22/37/1045822237.db2.gz WROFXAYUWDIOSG-UHFFFAOYSA-N 1 0 342.277 4.253 20 30 EIEDRO COCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)c1ccccc1 ZINC000768597270 1045825493 /nfs/dbraw/zinc/82/54/93/1045825493.db2.gz QVIZQVDDOLOCRO-MSOLQXFVSA-N 1 0 338.451 4.187 20 30 EIEDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000387357755 1045852881 /nfs/dbraw/zinc/85/28/81/1045852881.db2.gz JUDZKUUXKATHIK-QGZVFWFLSA-N 1 0 335.451 4.188 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000768912813 1045858320 /nfs/dbraw/zinc/85/83/20/1045858320.db2.gz MVUSRYNMZAGOFT-OXQOHEQNSA-N 1 0 338.426 4.324 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000768912810 1045858568 /nfs/dbraw/zinc/85/85/68/1045858568.db2.gz MVUSRYNMZAGOFT-OXJNMPFZSA-N 1 0 338.426 4.324 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000768991348 1045868482 /nfs/dbraw/zinc/86/84/82/1045868482.db2.gz KNOCQORWPVHKQF-JXFKEZNVSA-N 1 0 338.426 4.324 20 30 EIEDRO C=CCOc1ccc(C[N@H+](CC)CCc2ccccn2)cc1Cl ZINC000769033694 1045871486 /nfs/dbraw/zinc/87/14/86/1045871486.db2.gz MAGAMPZPYWDRES-UHFFFAOYSA-N 1 0 330.859 4.364 20 30 EIEDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000248589093 1045877119 /nfs/dbraw/zinc/87/71/19/1045877119.db2.gz QSLZJPKYGWZAKX-RRFJBIMHSA-N 1 0 333.501 4.044 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccc(OCC#N)cc1 ZINC000792275927 1045888434 /nfs/dbraw/zinc/88/84/34/1045888434.db2.gz GXXLVDWDASZQMI-ZDUSSCGKSA-N 1 0 348.805 4.111 20 30 EIEDRO CC(C)C[N@@H+](Cc1cccc(C#N)c1F)C[C@H](O)c1ccc(F)cc1 ZINC000769165035 1045889477 /nfs/dbraw/zinc/88/94/77/1045889477.db2.gz XLJKYNSWNRGJEF-IBGZPJMESA-N 1 0 344.405 4.028 20 30 EIEDRO C=CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000496295593 1045901387 /nfs/dbraw/zinc/90/13/87/1045901387.db2.gz RNHFBTFWIJJTCG-AWEZNQCLSA-N 1 0 333.476 4.032 20 30 EIEDRO C=C1CC[NH+](Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000769337392 1045929660 /nfs/dbraw/zinc/92/96/60/1045929660.db2.gz DPGUXZNXLMAAFK-UHFFFAOYSA-N 1 0 328.456 4.136 20 30 EIEDRO CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](CCCCC#N)CC1 ZINC000496457472 1045947867 /nfs/dbraw/zinc/94/78/67/1045947867.db2.gz IKWZFVNMRBQLMV-QGZVFWFLSA-N 1 0 349.519 4.038 20 30 EIEDRO CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](CCCCC#N)CC1 ZINC000496457471 1045948355 /nfs/dbraw/zinc/94/83/55/1045948355.db2.gz IKWZFVNMRBQLMV-KRWDZBQOSA-N 1 0 349.519 4.038 20 30 EIEDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769497481 1045998106 /nfs/dbraw/zinc/99/81/06/1045998106.db2.gz FMMRQSCNAFZCGA-GCJKJVERSA-N 1 0 333.479 4.414 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ncccc2Cl)CC1 ZINC001170361751 1046015057 /nfs/dbraw/zinc/01/50/57/1046015057.db2.gz CVXQAHNNUNHDRP-UHFFFAOYSA-N 1 0 325.843 4.229 20 30 EIEDRO N#CC1(c2ccccc2)CCC(N2C[C@@H](CC[NH3+])c3ccccc32)CC1 ZINC001170362223 1046015252 /nfs/dbraw/zinc/01/52/52/1046015252.db2.gz QHPXDHLDOQUGOR-TWEIKEKHSA-N 1 0 345.490 4.343 20 30 EIEDRO CC1CC[NH+](CCc2cccc(N=Cc3cccc(O)c3O)c2)CC1 ZINC000769551594 1046020325 /nfs/dbraw/zinc/02/03/25/1046020325.db2.gz OOMWPWPZFCPYFX-UHFFFAOYSA-N 1 0 338.451 4.123 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001170389643 1046024889 /nfs/dbraw/zinc/02/48/89/1046024889.db2.gz XFOIYGGQVLJSHX-HOHBBMLPSA-N 1 0 331.463 4.275 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH+]2CCc3ccccc3CC2)CC1 ZINC001170387531 1046025309 /nfs/dbraw/zinc/02/53/09/1046025309.db2.gz WYYSQNMBUJLZAP-UHFFFAOYSA-N 1 0 330.475 4.491 20 30 EIEDRO CC(C)OC1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389630 1046026307 /nfs/dbraw/zinc/02/63/07/1046026307.db2.gz WQEJQRVFOCMBGB-UHFFFAOYSA-N 1 0 326.484 4.280 20 30 EIEDRO Cn1ccc(C2CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)CC2)n1 ZINC001170395099 1046028087 /nfs/dbraw/zinc/02/80/87/1046028087.db2.gz GZZDVLDXJIFYFF-UHFFFAOYSA-N 1 0 348.494 4.004 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(c3ccc(F)cn3)CC2)CC1 ZINC001170374065 1046030799 /nfs/dbraw/zinc/03/07/99/1046030799.db2.gz RHSOSZGNYHSURO-UHFFFAOYSA-N 1 0 349.453 4.246 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cn(C3CCC3)cn2)CC1 ZINC001170373299 1046032049 /nfs/dbraw/zinc/03/20/49/1046032049.db2.gz BDLOENQQPGQYIR-UHFFFAOYSA-N 1 0 334.467 4.102 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@@H]2c2ncccn2)CC1 ZINC001170402802 1046038205 /nfs/dbraw/zinc/03/82/05/1046038205.db2.gz AZXVUZPHKUWJAU-OBXNSHGQSA-N 1 0 332.451 4.018 20 30 EIEDRO C[C@@H](CC#N)N(C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000161859013 1046041026 /nfs/dbraw/zinc/04/10/26/1046041026.db2.gz ZSABXMCILBHWML-INIZCTEOSA-N 1 0 337.423 4.041 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC000496754366 1046053327 /nfs/dbraw/zinc/05/33/27/1046053327.db2.gz CFMRDCRATIZQSM-ZBFHGGJFSA-N 1 0 329.444 4.124 20 30 EIEDRO C=CC[C@@H]1[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CCCC1(C)C ZINC000769953413 1046108540 /nfs/dbraw/zinc/10/85/40/1046108540.db2.gz LYLBJUQWDSIHQR-MSOLQXFVSA-N 1 0 328.456 4.079 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)CSc2ccc(C)cc2)cc1C#N ZINC000769934465 1046116693 /nfs/dbraw/zinc/11/66/93/1046116693.db2.gz GABPPIXNYUTECZ-OAHLLOKOSA-N 1 0 326.465 4.146 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000769988851 1046123267 /nfs/dbraw/zinc/12/32/67/1046123267.db2.gz OFRSYCKOOMVOLX-GUYCJALGSA-N 1 0 337.872 4.264 20 30 EIEDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763405442 1046134074 /nfs/dbraw/zinc/13/40/74/1046134074.db2.gz BNBWRUOIENGBDY-SFHVURJKSA-N 1 0 348.368 4.133 20 30 EIEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000763409936 1046137208 /nfs/dbraw/zinc/13/72/08/1046137208.db2.gz IDXVCESLBPUQIA-BDTNDASRSA-N 1 0 334.463 4.168 20 30 EIEDRO CC1(C)CC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC(C)(C)C1 ZINC000611559434 1046185918 /nfs/dbraw/zinc/18/59/18/1046185918.db2.gz AXOWICRDASGGNF-UHFFFAOYSA-N 1 0 340.515 4.117 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000611873144 1046281139 /nfs/dbraw/zinc/28/11/39/1046281139.db2.gz HWXSCBBSIURKHF-NRFANRHFSA-N 1 0 342.446 4.044 20 30 EIEDRO C=CCOc1c(Br)cc(C[N@H+](C)CC(=C)C)cc1OC ZINC000497095099 1046340258 /nfs/dbraw/zinc/34/02/58/1046340258.db2.gz FXNSQVABAHBVCE-UHFFFAOYSA-N 1 0 340.261 4.030 20 30 EIEDRO N#Cc1c(Cl)nsc1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000771221580 1046356269 /nfs/dbraw/zinc/35/62/69/1046356269.db2.gz GEFYBYFHWMVTIN-OAHLLOKOSA-N 1 0 346.887 4.307 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000271748373 1046382680 /nfs/dbraw/zinc/38/26/80/1046382680.db2.gz WYVKYESZPJOXHN-HXUWFJFHSA-N 1 0 334.463 4.411 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1ccccc1 ZINC000271741793 1046383541 /nfs/dbraw/zinc/38/35/41/1046383541.db2.gz VQQOAUPPNWHNQZ-JOCHJYFZSA-N 1 0 346.474 4.167 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(OC)c2OC(F)F)cc1 ZINC000271822255 1046386008 /nfs/dbraw/zinc/38/60/08/1046386008.db2.gz CLAJDDGFPFZSLL-UHFFFAOYSA-N 1 0 349.377 4.151 20 30 EIEDRO COc1ccc(CC[N@H+](Cc2ccc(C#N)o2)CC(C)(C)C)cc1 ZINC000536669417 1046618511 /nfs/dbraw/zinc/61/85/11/1046618511.db2.gz CLQIJJSPGGUYQY-UHFFFAOYSA-N 1 0 326.440 4.251 20 30 EIEDRO C=CC[N@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)C(C)C ZINC000917069510 1046645126 /nfs/dbraw/zinc/64/51/26/1046645126.db2.gz QLCNLTIDZJWJOC-OAQYLSRUSA-N 1 0 339.479 4.050 20 30 EIEDRO N#CCSCCC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000080625762 1046734788 /nfs/dbraw/zinc/73/47/88/1046734788.db2.gz UYGREYLMZCBXDM-INIZCTEOSA-N 1 0 334.535 4.404 20 30 EIEDRO C[C@@H](OC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000785714022 1046744177 /nfs/dbraw/zinc/74/41/77/1046744177.db2.gz PWWFSDVLFPGKPX-MRXNPFEDSA-N 1 0 334.419 4.072 20 30 EIEDRO C=CCCCCC[NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000785786796 1046750241 /nfs/dbraw/zinc/75/02/41/1046750241.db2.gz LAQPKHVAGJWGGQ-MRXNPFEDSA-N 1 0 334.479 4.184 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)c(F)c1 ZINC000536855698 1046824304 /nfs/dbraw/zinc/82/43/04/1046824304.db2.gz BKYIEHZFVCOKCS-AWEZNQCLSA-N 1 0 344.455 4.290 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)CCCc2cccnc2)cc(OC)c1O ZINC000459645777 1046832088 /nfs/dbraw/zinc/83/20/88/1046832088.db2.gz HLKOBGTYPQMSIJ-INIZCTEOSA-N 1 0 340.467 4.025 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(F)cn1 ZINC000536869512 1046833739 /nfs/dbraw/zinc/83/37/39/1046833739.db2.gz MDOPUVPNWLMKPO-RWBZWWBESA-N 1 0 339.414 4.133 20 30 EIEDRO CCCCCCCCCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000786706304 1046859886 /nfs/dbraw/zinc/85/98/86/1046859886.db2.gz PDTNDCYOYLYVLX-UHFFFAOYSA-N 1 0 349.523 4.022 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128465359 1046880576 /nfs/dbraw/zinc/88/05/76/1046880576.db2.gz UALCJHOEIJGPNI-QZTJIDSGSA-N 1 0 347.384 4.027 20 30 EIEDRO CC[N@H+](CC(=O)N(C(C)C)C1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497600045 1046883538 /nfs/dbraw/zinc/88/35/38/1046883538.db2.gz RFGIZHQZIOQGTC-KRWDZBQOSA-N 1 0 341.499 4.121 20 30 EIEDRO CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001170480519 1046890904 /nfs/dbraw/zinc/89/09/04/1046890904.db2.gz NQPSACFLNQERFZ-SFHVURJKSA-N 1 0 333.863 4.051 20 30 EIEDRO COCc1cc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000787034676 1046895789 /nfs/dbraw/zinc/89/57/89/1046895789.db2.gz TWUZZMGYZMJLLL-VLIAUNLRSA-N 1 0 336.435 4.051 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cn1cnc2cc(C)c(C)cc21 ZINC000917485059 1046907559 /nfs/dbraw/zinc/90/75/59/1046907559.db2.gz KDBZJJJDMXSZPJ-UHFFFAOYSA-N 1 0 335.451 4.307 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000537047504 1046914744 /nfs/dbraw/zinc/91/47/44/1046914744.db2.gz QHTNBNXBBIHNAF-QGZVFWFLSA-N 1 0 343.490 4.174 20 30 EIEDRO CCc1nc2ccccc2n1[NH+]=C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000787151650 1046919658 /nfs/dbraw/zinc/91/96/58/1046919658.db2.gz IVNZGBIATNJGIG-VRFBYJGASA-N 1 0 334.379 4.444 20 30 EIEDRO Clc1ccc(C[NH+]2CCC(N=Nc3ncccc3Cl)CC2)cc1 ZINC000917545846 1046955874 /nfs/dbraw/zinc/95/58/74/1046955874.db2.gz BLQDWWVXQKUYPY-UHFFFAOYSA-N 1 0 349.265 4.452 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420471 1047003093 /nfs/dbraw/zinc/00/30/93/1047003093.db2.gz HQFWLIYABNZAME-IUODEOHRSA-N 1 0 326.362 4.140 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)(C)C ZINC000537289255 1047069775 /nfs/dbraw/zinc/06/97/75/1047069775.db2.gz DCGFUWCWMOBTOT-PBHICJAKSA-N 1 0 347.528 4.434 20 30 EIEDRO CCC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000537292237 1047072447 /nfs/dbraw/zinc/07/24/47/1047072447.db2.gz XLRAMJCSDBZWRP-SFHVURJKSA-N 1 0 338.455 4.447 20 30 EIEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000537296853 1047078031 /nfs/dbraw/zinc/07/80/31/1047078031.db2.gz HXPSNRQBWJVOKA-HRAATJIYSA-N 1 0 349.478 4.029 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000537303529 1047084269 /nfs/dbraw/zinc/08/42/69/1047084269.db2.gz JQERNHLNDPPADT-VXKWHMMOSA-N 1 0 337.511 4.081 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000128831232 1047101854 /nfs/dbraw/zinc/10/18/54/1047101854.db2.gz VQFSTVZXIGDVMJ-QZTJIDSGSA-N 1 0 341.499 4.124 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806133770 1047127401 /nfs/dbraw/zinc/12/74/01/1047127401.db2.gz DLEAUGCDHIXYID-INIZCTEOSA-N 1 0 343.883 4.117 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000788259849 1047145614 /nfs/dbraw/zinc/14/56/14/1047145614.db2.gz YSLJSWFBNJEEKW-BQFCYCMXSA-N 1 0 332.488 4.065 20 30 EIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCc2nc(Cl)ccc21)C(C)C ZINC000806131031 1047155242 /nfs/dbraw/zinc/15/52/42/1047155242.db2.gz FOIKMFXRONMIFW-FUHWJXTLSA-N 1 0 333.907 4.011 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000806174760 1047160027 /nfs/dbraw/zinc/16/00/27/1047160027.db2.gz NAEGHWUGLMNGCL-QZTJIDSGSA-N 1 0 348.368 4.351 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)ccc1OC ZINC000806147535 1047173301 /nfs/dbraw/zinc/17/33/01/1047173301.db2.gz XYXAJBOLYPCZIV-IKGGRYGDSA-N 1 0 330.472 4.290 20 30 EIEDRO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccccc1SC(C)(C)C ZINC000788436608 1047185498 /nfs/dbraw/zinc/18/54/98/1047185498.db2.gz BIUVNXQIPZIKJK-HZPDHXFCSA-N 1 0 344.528 4.161 20 30 EIEDRO C#CCC1(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)CCCCC1 ZINC000788451040 1047191512 /nfs/dbraw/zinc/19/15/12/1047191512.db2.gz NRBQDYUZQQGTJY-KRWDZBQOSA-N 1 0 349.478 4.332 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000537401654 1047194313 /nfs/dbraw/zinc/19/43/13/1047194313.db2.gz ZWCYMRFIPGQHPB-LLVKDONJSA-N 1 0 338.304 4.447 20 30 EIEDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000537405706 1047196704 /nfs/dbraw/zinc/19/67/04/1047196704.db2.gz QYROOSSPUUBAJP-ARGWCVDVSA-N 1 0 342.414 4.133 20 30 EIEDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000537405709 1047197909 /nfs/dbraw/zinc/19/79/09/1047197909.db2.gz QYROOSSPUUBAJP-PJSUUKDQSA-N 1 0 342.414 4.133 20 30 EIEDRO C[C@H](NCc1cccnc1OC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000537407018 1047199166 /nfs/dbraw/zinc/19/91/66/1047199166.db2.gz MQYZSYAWZPBQES-AWEZNQCLSA-N 1 0 339.414 4.265 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)c1 ZINC000788537355 1047216571 /nfs/dbraw/zinc/21/65/71/1047216571.db2.gz JRHWGTNWGFQKGD-NHCUHLMSSA-N 1 0 325.452 4.099 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)c1 ZINC000788648102 1047247205 /nfs/dbraw/zinc/24/72/05/1047247205.db2.gz XGMPHPZODJJALO-WIYYLYMNSA-N 1 0 336.435 4.240 20 30 EIEDRO C=CCN(C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)C(C)C ZINC000918064464 1047311283 /nfs/dbraw/zinc/31/12/83/1047311283.db2.gz QVYROOVCSIHNMT-UHFFFAOYSA-N 1 0 343.515 4.025 20 30 EIEDRO N#CCCCOc1cccc(N[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000325727636 1047311423 /nfs/dbraw/zinc/31/14/23/1047311423.db2.gz ZUTHQLSXKHPJOG-XUVXKRRUSA-N 1 0 327.472 4.092 20 30 EIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)c1 ZINC000154753539 1047507800 /nfs/dbraw/zinc/50/78/00/1047507800.db2.gz ZYNRHPUXLZOWRW-OAQYLSRUSA-N 1 0 348.471 4.356 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)Cc2cccnc2)cc1OC ZINC000897966581 1047517496 /nfs/dbraw/zinc/51/74/96/1047517496.db2.gz DQJDWWLVHAVNNM-CQSZACIVSA-N 1 0 346.858 4.029 20 30 EIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000556218683 1047593620 /nfs/dbraw/zinc/59/36/20/1047593620.db2.gz ZFUQNLVSHGGXMH-ZDUSSCGKSA-N 1 0 338.879 4.258 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000154821849 1047660617 /nfs/dbraw/zinc/66/06/17/1047660617.db2.gz QHWVABHNEARNAM-ROUUACIJSA-N 1 0 345.446 4.296 20 30 EIEDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)c21 ZINC000237488011 1047668036 /nfs/dbraw/zinc/66/80/36/1047668036.db2.gz XDODBSLHTVUKHP-INIZCTEOSA-N 1 0 333.435 4.100 20 30 EIEDRO C=CCNC(=O)C[N@H+](Cc1ccc(-c2ccccc2C)s1)C(C)C ZINC000498560677 1047753257 /nfs/dbraw/zinc/75/32/57/1047753257.db2.gz BBUPJEVEJLCDEG-UHFFFAOYSA-N 1 0 342.508 4.236 20 30 EIEDRO C=C(Cl)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000763434296 1047808660 /nfs/dbraw/zinc/80/86/60/1047808660.db2.gz VOYOAGLPFLWBQK-UHFFFAOYSA-N 1 0 341.842 4.064 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)c(O)c(OC)c1 ZINC000814227112 1047898354 /nfs/dbraw/zinc/89/83/54/1047898354.db2.gz CUNVHOAFOLTGMX-FQEVSTJZSA-N 1 0 338.451 4.107 20 30 EIEDRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000824683454 1047899604 /nfs/dbraw/zinc/89/96/04/1047899604.db2.gz KCAZAVASOSUFOF-RDJZCZTQSA-N 1 0 342.874 4.065 20 30 EIEDRO CCCCCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001131298514 1047938161 /nfs/dbraw/zinc/93/81/61/1047938161.db2.gz JJZXOXJLHUOFNF-HXUWFJFHSA-N 1 0 330.516 4.436 20 30 EIEDRO CC(C)n1ncc2cc(C[NH2+]CC(C)(C)CCC#N)c(Cl)nc21 ZINC000808430189 1047939232 /nfs/dbraw/zinc/93/92/32/1047939232.db2.gz UDLXJGJIFYGROK-UHFFFAOYSA-N 1 0 333.867 4.085 20 30 EIEDRO C[C@]1(CC[NH2+]Cc2cccc(OCCCC#N)c2)CC1(Cl)Cl ZINC000824971079 1048014888 /nfs/dbraw/zinc/01/48/88/1048014888.db2.gz OOOUUIKKCWGILE-INIZCTEOSA-N 1 0 341.282 4.433 20 30 EIEDRO CCC(CC)C[N@H+](CCC#N)CCC(=O)Nc1ccccc1Cl ZINC000072692886 1048050345 /nfs/dbraw/zinc/05/03/45/1048050345.db2.gz IHVGBBVIZCYNBG-UHFFFAOYSA-N 1 0 335.879 4.320 20 30 EIEDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1O ZINC000808706136 1048054154 /nfs/dbraw/zinc/05/41/54/1048054154.db2.gz YJFDNSUFGALZFC-CYBMUJFWSA-N 1 0 330.815 4.107 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000808707238 1048054677 /nfs/dbraw/zinc/05/46/77/1048054677.db2.gz IUEZHWMKNYXMDV-FQEVSTJZSA-N 1 0 330.431 4.347 20 30 EIEDRO CCCCC[C@H](C)NC(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000919770964 1048059770 /nfs/dbraw/zinc/05/97/70/1048059770.db2.gz YGVQSXWOSUQSGT-DLBZAZTESA-N 1 0 329.488 4.026 20 30 EIEDRO CCS[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000556872181 1048093238 /nfs/dbraw/zinc/09/32/38/1048093238.db2.gz ORFUHRBYQAKHEX-UYAOXDASSA-N 1 0 343.540 4.181 20 30 EIEDRO N#CCCC[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000814659365 1048104759 /nfs/dbraw/zinc/10/47/59/1048104759.db2.gz MFKQLJKLEHTUNH-OAQYLSRUSA-N 1 0 333.435 4.352 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000814661096 1048106681 /nfs/dbraw/zinc/10/66/81/1048106681.db2.gz VHKRXHZIZFZNHO-MOPGFXCFSA-N 1 0 328.843 4.398 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1C(F)(F)F ZINC001143350444 1048110972 /nfs/dbraw/zinc/11/09/72/1048110972.db2.gz KCZUVGNJJIAZNB-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO C[C@H]1C(N=Nc2nncc3ccccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000814705786 1048130832 /nfs/dbraw/zinc/13/08/32/1048130832.db2.gz NEICVPKOXMUFGD-INIZCTEOSA-N 1 0 345.450 4.082 20 30 EIEDRO Cc1ccc(C#N)cc1NC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000747968943 1048133796 /nfs/dbraw/zinc/13/37/96/1048133796.db2.gz FEYBINVUTONTPP-UHFFFAOYSA-N 1 0 342.487 4.035 20 30 EIEDRO COc1ccccc1[C@H]1CCN(Cc2c(Cl)cccc2C#N)C1 ZINC001143716076 1048162996 /nfs/dbraw/zinc/16/29/96/1048162996.db2.gz CSPWIESROJVMSG-HNNXBMFYSA-N 1 0 326.827 4.210 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000556910043 1048186620 /nfs/dbraw/zinc/18/66/20/1048186620.db2.gz SLWKXANEXSMIFG-NRFANRHFSA-N 1 0 337.463 4.245 20 30 EIEDRO c1cnc2c(c1)cccc2CN[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814803903 1048189135 /nfs/dbraw/zinc/18/91/35/1048189135.db2.gz PZMKZOVMGJVGEC-HNNXBMFYSA-N 1 0 328.419 4.032 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@H](O)c1ccccc1 ZINC000844326514 1048294100 /nfs/dbraw/zinc/29/41/00/1048294100.db2.gz GQNIWRQEMYJKDX-RBUKOAKNSA-N 1 0 328.843 4.059 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844377911 1048314034 /nfs/dbraw/zinc/31/40/34/1048314034.db2.gz YJXYWYLTZOQNEF-IBGZPJMESA-N 1 0 334.891 4.343 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cncc2ccccc21 ZINC000772904427 1048325009 /nfs/dbraw/zinc/32/50/09/1048325009.db2.gz MFGOSBWUJDTFDE-UHFFFAOYSA-N 1 0 333.460 4.129 20 30 EIEDRO C=CC[C@H](C)C(=O)Nc1cccc2c1C[N@H+](C)C[C@H]2c1ccccc1 ZINC001144020897 1048369335 /nfs/dbraw/zinc/36/93/35/1048369335.db2.gz JFBZVRVVDPLPIL-LPHOPBHVSA-N 1 0 334.463 4.415 20 30 EIEDRO C=CC[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cccs1 ZINC000074329160 1048472814 /nfs/dbraw/zinc/47/28/14/1048472814.db2.gz PJCVZNQIXPCLAU-UHFFFAOYSA-N 1 0 325.437 4.029 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC000809730380 1048481966 /nfs/dbraw/zinc/48/19/66/1048481966.db2.gz LPUSQYYLWVJTMU-UHFFFAOYSA-N 1 0 340.854 4.127 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2ccccc2s1)C(C)C ZINC001144197997 1048489619 /nfs/dbraw/zinc/48/96/19/1048489619.db2.gz QYISVIYNSDMDFR-KRWDZBQOSA-N 1 0 342.508 4.330 20 30 EIEDRO Cc1cc(Br)cc(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC001144222000 1048514924 /nfs/dbraw/zinc/51/49/24/1048514924.db2.gz KLKZHTCNMFOUDZ-UHFFFAOYSA-N 1 0 329.241 4.261 20 30 EIEDRO N#Cc1csc(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000809754649 1048517497 /nfs/dbraw/zinc/51/74/97/1048517497.db2.gz LMUWFGSWYMGLAL-OAHLLOKOSA-N 1 0 341.263 4.140 20 30 EIEDRO C[C@@H]([NH2+]CC[C@@H]1CCc2ccccc2N1)c1ccc(OCC#N)cc1 ZINC000844922905 1048548290 /nfs/dbraw/zinc/54/82/90/1048548290.db2.gz DAEOFDDVCAVHJF-APWZRJJASA-N 1 0 335.451 4.057 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1C#N ZINC001170795065 1048559598 /nfs/dbraw/zinc/55/95/98/1048559598.db2.gz QNOKVYXAMVJPOY-PKTZIBPZSA-N 1 0 342.442 4.431 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000815634806 1048565862 /nfs/dbraw/zinc/56/58/62/1048565862.db2.gz QYPBLRCHPZVVEH-CHWSQXEVSA-N 1 0 326.282 4.415 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](/N=C/c2cc(Cl)ccc2O)C1 ZINC000920173966 1048571384 /nfs/dbraw/zinc/57/13/84/1048571384.db2.gz HYDPHKARPWQBRI-ROTSCOARSA-N 1 0 328.843 4.300 20 30 EIEDRO CCOc1ccc(O)c(/C=N\[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000920175091 1048575190 /nfs/dbraw/zinc/57/51/90/1048575190.db2.gz TYSXVMBWAFKGTA-LMZUZTJHSA-N 1 0 338.451 4.045 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc(C)cc(Cl)c3C#N)c2c1 ZINC001171166361 1048602145 /nfs/dbraw/zinc/60/21/45/1048602145.db2.gz VCBVYZRYAZORBD-GFCCVEGCSA-N 1 0 338.842 4.057 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000772920473 1048628728 /nfs/dbraw/zinc/62/87/28/1048628728.db2.gz FZXONOROKBWNDA-UHFFFAOYSA-N 1 0 337.316 4.146 20 30 EIEDRO COc1ccccc1C[N@H+](CCCSCC#N)Cc1cccs1 ZINC000074981391 1048636687 /nfs/dbraw/zinc/63/66/87/1048636687.db2.gz CPPKCUDIUVXXTB-UHFFFAOYSA-N 1 0 346.521 4.406 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000810128158 1048641097 /nfs/dbraw/zinc/64/10/97/1048641097.db2.gz DFJZEQDURCIDCL-IRXDYDNUSA-N 1 0 347.462 4.487 20 30 EIEDRO CCCCCCCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000920295558 1048643216 /nfs/dbraw/zinc/64/32/16/1048643216.db2.gz BFVCWSGEMHNULP-UHFFFAOYSA-N 1 0 330.516 4.375 20 30 EIEDRO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000810151812 1048657344 /nfs/dbraw/zinc/65/73/44/1048657344.db2.gz PFOCXJJXUSPTOJ-MSOLQXFVSA-N 1 0 341.480 4.228 20 30 EIEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2cccc(F)c2)c1C ZINC000920386201 1048662871 /nfs/dbraw/zinc/66/28/71/1048662871.db2.gz TYWOAUOYYGAXGO-FQEVSTJZSA-N 1 0 342.462 4.174 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC001171182294 1048672628 /nfs/dbraw/zinc/67/26/28/1048672628.db2.gz UKDWFLZXQRHOAN-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO COc1nccc2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc21 ZINC001171183984 1048674531 /nfs/dbraw/zinc/67/45/31/1048674531.db2.gz CFUPCIKULYMREQ-UHFFFAOYSA-N 1 0 343.386 4.139 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(Cl)ccc1Oc1cccc(C)c1 ZINC001135351773 1048682224 /nfs/dbraw/zinc/68/22/24/1048682224.db2.gz NIWKETWGDTYULP-UHFFFAOYSA-N 1 0 344.842 4.497 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000810217725 1048686679 /nfs/dbraw/zinc/68/66/79/1048686679.db2.gz AVVRCVVWQRQRHB-ZWKOTPCHSA-N 1 0 347.245 4.176 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)cc1Br ZINC001171189780 1048687749 /nfs/dbraw/zinc/68/77/49/1048687749.db2.gz LMTIIRSBPCRYHX-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(Br)ccc1F ZINC001171190672 1048695056 /nfs/dbraw/zinc/69/50/56/1048695056.db2.gz XMBMVYXZJJMXSD-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1N1CCCCC1 ZINC001171192795 1048695294 /nfs/dbraw/zinc/69/52/94/1048695294.db2.gz PWMWWAKMIQOOIV-GOSISDBHSA-N 1 0 333.479 4.269 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Oc2ccccn2)cc1 ZINC001171197666 1048717280 /nfs/dbraw/zinc/71/72/80/1048717280.db2.gz BCCYVBSJXDBTIJ-QGZVFWFLSA-N 1 0 343.430 4.466 20 30 EIEDRO COc1cccc(CC2([NH2+][C@H](C)Cc3cccc(C#N)c3)CCC2)c1 ZINC001171197742 1048720337 /nfs/dbraw/zinc/72/03/37/1048720337.db2.gz BVYJAPJPRQTVNG-QGZVFWFLSA-N 1 0 334.463 4.253 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccncc1Cl)C1CC1 ZINC001171197751 1048720394 /nfs/dbraw/zinc/72/03/94/1048720394.db2.gz BYICKHIGXISSEH-YJYMSZOUSA-N 1 0 325.843 4.279 20 30 EIEDRO C#Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)cc1 ZINC001144569018 1048733145 /nfs/dbraw/zinc/73/31/45/1048733145.db2.gz IOEICNRVFWYGTL-PKTZIBPZSA-N 1 0 331.459 4.207 20 30 EIEDRO CCCCCC[C@H](CC)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001170602000 1048747499 /nfs/dbraw/zinc/74/74/99/1048747499.db2.gz VJWFPRUNONAMNH-IBGZPJMESA-N 1 0 328.504 4.214 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccc(Cl)cn1)C1CC1 ZINC001171201457 1048759788 /nfs/dbraw/zinc/75/97/88/1048759788.db2.gz MATUHAMITRPMHJ-DJJJIMSYSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1(C)CCN(Cc2ccccc2)CC1 ZINC001171202138 1048760211 /nfs/dbraw/zinc/76/02/11/1048760211.db2.gz WEKQDLPTSNYMBM-LJQANCHMSA-N 1 0 347.506 4.134 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(O[C@@H](C#N)CC)c2)C1 ZINC000845939641 1048768058 /nfs/dbraw/zinc/76/80/58/1048768058.db2.gz KSBFJHGZCZIGIZ-KBAYOESNSA-N 1 0 328.456 4.211 20 30 EIEDRO CCc1cccc(C[NH2+]Cc2ccc(OC)c(O[C@@H](C#N)CC)c2)c1 ZINC000845941002 1048768734 /nfs/dbraw/zinc/76/87/34/1048768734.db2.gz SHTNFCGZQSPANR-LJQANCHMSA-N 1 0 338.451 4.228 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000845944257 1048769454 /nfs/dbraw/zinc/76/94/54/1048769454.db2.gz NZTDOXRKUQSPHQ-HKUYNNGSSA-N 1 0 327.516 4.056 20 30 EIEDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171204184 1048780485 /nfs/dbraw/zinc/78/04/85/1048780485.db2.gz UJGHOHHQPLYYBD-MSOLQXFVSA-N 1 0 336.479 4.451 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(c3ccccc3F)CCC2)cc1 ZINC000845995751 1048791617 /nfs/dbraw/zinc/79/16/17/1048791617.db2.gz GIFFOJDAJRHULP-INIZCTEOSA-N 1 0 338.426 4.328 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC[C@@]2(C)C[C@]2(F)Cl)cc1OC ZINC000846034141 1048801503 /nfs/dbraw/zinc/80/15/03/1048801503.db2.gz HOYCJNSTXWJYKW-DLBZAZTESA-N 1 0 327.827 4.054 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)cc1C#N ZINC000846051549 1048806785 /nfs/dbraw/zinc/80/67/85/1048806785.db2.gz FPMWSOCEFRZYRH-KRWDZBQOSA-N 1 0 340.398 4.098 20 30 EIEDRO CCOc1ccc(/C=N/C[C@@H](c2cccs2)[NH+]2CCCC2)c(O)c1 ZINC000920944384 1048817017 /nfs/dbraw/zinc/81/70/17/1048817017.db2.gz WIMNQQNETITQFL-NNIWKIFQSA-N 1 0 344.480 4.108 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@@H](c2ccccc2)[NH+](CC)CC)c1 ZINC000920944025 1048817345 /nfs/dbraw/zinc/81/73/45/1048817345.db2.gz NSMIHDACLZHYJP-AHFVYKFHSA-N 1 0 340.467 4.293 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1 ZINC000846102929 1048821178 /nfs/dbraw/zinc/82/11/78/1048821178.db2.gz QZNMHLZVXWVJML-JSGCOSHPSA-N 1 0 327.255 4.041 20 30 EIEDRO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001144743735 1048847800 /nfs/dbraw/zinc/84/78/00/1048847800.db2.gz XORVWXQIXNAYRO-QGZVFWFLSA-N 1 0 349.459 4.211 20 30 EIEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846211512 1048848411 /nfs/dbraw/zinc/84/84/11/1048848411.db2.gz GDBCREHAYKZKLJ-QHCPKHFHSA-N 1 0 345.490 4.108 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(COc2ccccc2)CC1 ZINC001171220610 1048855235 /nfs/dbraw/zinc/85/52/35/1048855235.db2.gz CNSQIYDXINPBKU-GOSISDBHSA-N 1 0 334.463 4.280 20 30 EIEDRO C=CCCCCCCCCC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001144798341 1048859883 /nfs/dbraw/zinc/85/98/83/1048859883.db2.gz LTKPDYJRLCMTNV-UHFFFAOYSA-N 1 0 343.515 4.473 20 30 EIEDRO COc1cccc(N=NCC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000747629739 1048864387 /nfs/dbraw/zinc/86/43/87/1048864387.db2.gz LQTSNDWUFHYQNB-UHFFFAOYSA-N 1 0 325.456 4.251 20 30 EIEDRO COc1ccc(C2=CC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171231945 1048870587 /nfs/dbraw/zinc/87/05/87/1048870587.db2.gz OLUXQGMYFFHECE-KRWDZBQOSA-N 1 0 332.447 4.287 20 30 EIEDRO COc1ccc(C2=CC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171231946 1048870910 /nfs/dbraw/zinc/87/09/10/1048870910.db2.gz OLUXQGMYFFHECE-QGZVFWFLSA-N 1 0 332.447 4.287 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCc3cc(F)ccc32)cc(OC)c1OC ZINC000772946084 1048884375 /nfs/dbraw/zinc/88/43/75/1048884375.db2.gz JWYBXTQHXLBQIF-LJQANCHMSA-N 1 0 341.426 4.349 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)C)ccc1OC ZINC000237203277 1048894181 /nfs/dbraw/zinc/89/41/81/1048894181.db2.gz ZSRKTQRHHLVCRR-WIYYLYMNSA-N 1 0 347.499 4.191 20 30 EIEDRO C=C[C@H](CC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000134232157 1048907854 /nfs/dbraw/zinc/90/78/54/1048907854.db2.gz YJIHBEIXYQFTSV-LJQANCHMSA-N 1 0 328.500 4.119 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3c(CC)cccc32)cc1 ZINC000772960046 1048999027 /nfs/dbraw/zinc/99/90/27/1048999027.db2.gz QFZVJKHFLDTZJX-IIBYNOLFSA-N 1 0 335.447 4.435 20 30 EIEDRO N#CC1(Nc2ccc3ccoc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171276535 1049019636 /nfs/dbraw/zinc/01/96/36/1049019636.db2.gz FGMRILUKBOSJHF-UHFFFAOYSA-N 1 0 331.419 4.403 20 30 EIEDRO Cc1noc2ccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc12 ZINC001171277801 1049033752 /nfs/dbraw/zinc/03/37/52/1049033752.db2.gz QWQFBKOTEHZKGW-UHFFFAOYSA-N 1 0 346.434 4.107 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3ccccc3)C2(C)C)cc1 ZINC001171278772 1049038483 /nfs/dbraw/zinc/03/84/83/1049038483.db2.gz RJVACOUGRKDWOV-NRFANRHFSA-N 1 0 346.474 4.265 20 30 EIEDRO CCOc1ccc(O)c(/C=N\Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000747713027 1049058219 /nfs/dbraw/zinc/05/82/19/1049058219.db2.gz MTPRFUAJVGKZRH-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)c(F)c1 ZINC000609466536 1049076201 /nfs/dbraw/zinc/07/62/01/1049076201.db2.gz FOCQQJPEOSAFJD-QGZVFWFLSA-N 1 0 343.833 4.109 20 30 EIEDRO C#C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000811517435 1049103901 /nfs/dbraw/zinc/10/39/01/1049103901.db2.gz SOFPORPXTNSYCN-QGZVFWFLSA-N 1 0 348.874 4.003 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)c(C(F)(F)F)c1 ZINC000811502435 1049112945 /nfs/dbraw/zinc/11/29/45/1049112945.db2.gz UFJNGEBTUOCKQW-INIZCTEOSA-N 1 0 346.352 4.060 20 30 EIEDRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818231128 1049116981 /nfs/dbraw/zinc/11/69/81/1049116981.db2.gz VORUIHGRAOUFLG-GXTWGEPZSA-N 1 0 349.265 4.269 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000818346878 1049127088 /nfs/dbraw/zinc/12/70/88/1049127088.db2.gz JNHYAVSJDMLIQZ-KNBMTAEXSA-N 1 0 332.463 4.058 20 30 EIEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1SC(F)F ZINC000818356219 1049145052 /nfs/dbraw/zinc/14/50/52/1049145052.db2.gz LGNXHRZYFBHTLA-NTZNESFSSA-N 1 0 326.412 4.353 20 30 EIEDRO C=CCC1(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCCC1 ZINC001147443478 1049159541 /nfs/dbraw/zinc/15/95/41/1049159541.db2.gz QDZWKXMYSOMXPI-GOSISDBHSA-N 1 0 344.474 4.043 20 30 EIEDRO [NH2+]=C(N[C@@H]1CCc2cccc(Cl)c2C1)c1ccc2ccccc2n1 ZINC001170909728 1049173572 /nfs/dbraw/zinc/17/35/72/1049173572.db2.gz XOQLLUKTUCIZNE-OAHLLOKOSA-N 1 0 335.838 4.151 20 30 EIEDRO CCc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC000772983537 1049197198 /nfs/dbraw/zinc/19/71/98/1049197198.db2.gz KNSKAKSAURTYIT-XJKSGUPXSA-N 1 0 327.428 4.077 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+]CCCc2ccc(Cl)cc2Cl)cc1 ZINC000819126507 1049270424 /nfs/dbraw/zinc/27/04/24/1049270424.db2.gz LIQFPKNLTYVCBA-GOSISDBHSA-N 1 0 349.261 4.121 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(SC)c(F)c1 ZINC000772986909 1049281615 /nfs/dbraw/zinc/28/16/15/1049281615.db2.gz FSLYBTHVXKHQHH-AWEZNQCLSA-N 1 0 329.440 4.410 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000772986907 1049282262 /nfs/dbraw/zinc/28/22/62/1049282262.db2.gz FSLCRQFERPKUAF-HNNXBMFYSA-N 1 0 345.389 4.459 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1ccccc1 ZINC000819329236 1049297757 /nfs/dbraw/zinc/29/77/57/1049297757.db2.gz HVPJHDXORSJCAO-RTBURBONSA-N 1 0 330.378 4.023 20 30 EIEDRO C=C[C@H](CC)CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001136252076 1049357216 /nfs/dbraw/zinc/35/72/16/1049357216.db2.gz AAKUTWMAAASHTI-GUDVDZBRSA-N 1 0 342.527 4.383 20 30 EIEDRO C=CC1(CC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCCCC1 ZINC001136254994 1049358960 /nfs/dbraw/zinc/35/89/60/1049358960.db2.gz HOGOSEKNRSRNKW-OALUTQOASA-N 1 0 334.548 4.387 20 30 EIEDRO C#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC001136279945 1049388573 /nfs/dbraw/zinc/38/85/73/1049388573.db2.gz YFNNBLWQVHNTQJ-UHFFFAOYSA-N 1 0 332.447 4.152 20 30 EIEDRO COc1cccc(O)c1/C=N\Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000812402807 1049449919 /nfs/dbraw/zinc/44/99/19/1049449919.db2.gz ISJWCPXXJYBHFR-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO CCc1ccc(C[NH+]2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000610003371 1049472553 /nfs/dbraw/zinc/47/25/53/1049472553.db2.gz XPVJJJCEBQJZRE-INIZCTEOSA-N 1 0 339.508 4.061 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000348203394 1049493859 /nfs/dbraw/zinc/49/38/59/1049493859.db2.gz CTDUNRYYWGJZLK-QFBILLFUSA-N 1 0 328.843 4.028 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCc2c(F)cc(F)cc2C1)c1cccc(C#N)c1 ZINC001171347846 1049502253 /nfs/dbraw/zinc/50/22/53/1049502253.db2.gz AVVOKLPCNNZHDW-YLJYHZDGSA-N 1 0 326.390 4.435 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](CO)c2cccc(F)c2)cc1 ZINC000773013110 1049522239 /nfs/dbraw/zinc/52/22/39/1049522239.db2.gz WUSIORBPTWQSCE-AUUYWEPGSA-N 1 0 349.833 4.341 20 30 EIEDRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000773080008 1049571330 /nfs/dbraw/zinc/57/13/30/1049571330.db2.gz ZXFFLYBNVLGVKK-ZDUSSCGKSA-N 1 0 344.842 4.470 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1CC)c1ccccc1 ZINC000773106671 1049586609 /nfs/dbraw/zinc/58/66/09/1049586609.db2.gz LLRUDKHSIAIMQD-FXAWDEMLSA-N 1 0 334.463 4.320 20 30 EIEDRO C#CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000773115688 1049586694 /nfs/dbraw/zinc/58/66/94/1049586694.db2.gz OENTVBMBRDTOCX-OIBXWCBGSA-N 1 0 332.491 4.394 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2cnc(C(C)(C)C)s2)c1 ZINC000821017659 1049588001 /nfs/dbraw/zinc/58/80/01/1049588001.db2.gz LBDAGSUQDOUSGD-KTKRTIGZSA-N 1 0 328.481 4.398 20 30 EIEDRO C#CC[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1ccccc1 ZINC000773113864 1049590206 /nfs/dbraw/zinc/59/02/06/1049590206.db2.gz GGWKFODBAUBHOL-FQEVSTJZSA-N 1 0 340.417 4.288 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cn(CCCCC)nc2C)cc1 ZINC000773139896 1049603411 /nfs/dbraw/zinc/60/34/11/1049603411.db2.gz UJGHEBQJEJLACE-KRWDZBQOSA-N 1 0 339.483 4.245 20 30 EIEDRO N#CC1(c2ccc(N3c4ccccc4OC[C@H]3C[NH3+])cc2)CCCCC1 ZINC001171394725 1049610471 /nfs/dbraw/zinc/61/04/71/1049610471.db2.gz ULUJAAKUWLOVOR-LJQANCHMSA-N 1 0 347.462 4.270 20 30 EIEDRO CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853229 1049613300 /nfs/dbraw/zinc/61/33/00/1049613300.db2.gz DANIBDFGYIEYEC-JXFKEZNVSA-N 1 0 327.855 4.136 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)c2ccccc2F)cc1 ZINC000237565632 1049614165 /nfs/dbraw/zinc/61/41/65/1049614165.db2.gz NJMBCGKOXRAZEW-OAHLLOKOSA-N 1 0 326.415 4.184 20 30 EIEDRO C#CCCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000773207261 1049661505 /nfs/dbraw/zinc/66/15/05/1049661505.db2.gz DNCOVPRVUKDUNO-GOSISDBHSA-N 1 0 334.891 4.033 20 30 EIEDRO N#Cc1ccc(OCCC[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000747838255 1049686335 /nfs/dbraw/zinc/68/63/35/1049686335.db2.gz SYVCKDONCZMVJA-UHFFFAOYSA-N 1 0 342.483 4.141 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)c2ccc(F)cc2)cc1 ZINC000237694073 1049712956 /nfs/dbraw/zinc/71/29/56/1049712956.db2.gz LFKTWXXPYMNFLR-HNNXBMFYSA-N 1 0 326.415 4.184 20 30 EIEDRO N#Cc1ccc(OCCNc2cc(OCc3ccccc3)cc[nH+]2)cc1 ZINC001171483007 1049716579 /nfs/dbraw/zinc/71/65/79/1049716579.db2.gz ZYCRVFLQRIGXPZ-UHFFFAOYSA-N 1 0 345.402 4.023 20 30 EIEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC001171489985 1049718560 /nfs/dbraw/zinc/71/85/60/1049718560.db2.gz LPYZTBJZMDRRNR-AWEZNQCLSA-N 1 0 343.268 4.233 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCOc2ccc(Cl)cc2)c1 ZINC000237764724 1049740831 /nfs/dbraw/zinc/74/08/31/1049740831.db2.gz BTGSZMMJOYZXHL-UHFFFAOYSA-N 1 0 344.842 4.191 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC001171572414 1049758902 /nfs/dbraw/zinc/75/89/02/1049758902.db2.gz IGHLTRWGPOISHZ-GFCCVEGCSA-N 1 0 329.387 4.152 20 30 EIEDRO Cc1cccc2c1CC[C@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)C2 ZINC001171573075 1049758988 /nfs/dbraw/zinc/75/89/88/1049758988.db2.gz GHFNNKRRQXVUNS-FQEVSTJZSA-N 1 0 346.474 4.267 20 30 EIEDRO C#CC1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)CC1 ZINC001171611306 1049765437 /nfs/dbraw/zinc/76/54/37/1049765437.db2.gz AALVIRQIMSXTFC-ROUUACIJSA-N 1 0 348.531 4.146 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC001136595674 1049771326 /nfs/dbraw/zinc/77/13/26/1049771326.db2.gz JVJDBFFUKACUHJ-KRWDZBQOSA-N 1 0 342.483 4.235 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+]C(C)(C)c2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171725965 1049785782 /nfs/dbraw/zinc/78/57/82/1049785782.db2.gz QQMDUZHMFVRAOD-DYESRHJHSA-N 1 0 333.479 4.046 20 30 EIEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)CC1CCC(c2ccccc2)CC1 ZINC001171791150 1049804483 /nfs/dbraw/zinc/80/44/83/1049804483.db2.gz APMWSLFYMRYACC-PSGUAHCZSA-N 1 0 348.490 4.497 20 30 EIEDRO C=C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccccc1 ZINC001136677412 1049822682 /nfs/dbraw/zinc/82/26/82/1049822682.db2.gz QKAUWJOMKHOEBH-OAQYLSRUSA-N 1 0 348.490 4.079 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC001171960487 1049823429 /nfs/dbraw/zinc/82/34/29/1049823429.db2.gz AHUORACKURAPJW-CQSZACIVSA-N 1 0 348.368 4.177 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001171959554 1049823490 /nfs/dbraw/zinc/82/34/90/1049823490.db2.gz BJQUDBZQMXYHCO-JTQLQIEISA-N 1 0 341.764 4.090 20 30 EIEDRO CC1(C)C[C@@H](N[C@H](C#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171961586 1049824462 /nfs/dbraw/zinc/82/44/62/1049824462.db2.gz AQEITWBLZPPROU-LEWJYISDSA-N 1 0 333.479 4.284 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180029108 1049824999 /nfs/dbraw/zinc/82/49/99/1049824999.db2.gz DTVMRWRAZGQDHB-MRXNPFEDSA-N 1 0 331.419 4.014 20 30 EIEDRO CC(C)C[C@@](C)(C#N)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978876 1049838240 /nfs/dbraw/zinc/83/82/40/1049838240.db2.gz MNNCVAHNOBVRKJ-CTNGQTDRSA-N 1 0 327.516 4.348 20 30 EIEDRO CC1(C)C[C@@H](NCC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171983873 1049841060 /nfs/dbraw/zinc/84/10/60/1049841060.db2.gz QDINFPVBQFEAIP-QFIPXVFZSA-N 1 0 332.491 4.071 20 30 EIEDRO N#Cc1ccc(Br)c(Nc2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC001160243178 1049843351 /nfs/dbraw/zinc/84/33/51/1049843351.db2.gz HRMLDQGKUAAIIS-INIZCTEOSA-N 1 0 342.240 4.489 20 30 EIEDRO CCCN(CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073556 1049844437 /nfs/dbraw/zinc/84/44/37/1049844437.db2.gz AFYPNLMERQRSMX-WKCHPHFGSA-N 1 0 325.500 4.198 20 30 EIEDRO CC(C)(C)n1ncc(C#N)c1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204086693 1049865386 /nfs/dbraw/zinc/86/53/86/1049865386.db2.gz CKKNTWKJPSNNQH-UHFFFAOYSA-N 1 0 337.471 4.239 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC001172301986 1049873092 /nfs/dbraw/zinc/87/30/92/1049873092.db2.gz ZRSCGTFOPSOBOD-CQSZACIVSA-N 1 0 332.369 4.340 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001172305231 1049873775 /nfs/dbraw/zinc/87/37/75/1049873775.db2.gz CKXXQFSKGWCBJV-QGZVFWFLSA-N 1 0 329.447 4.241 20 30 EIEDRO COc1cccc(CC2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172310685 1049874666 /nfs/dbraw/zinc/87/46/66/1049874666.db2.gz HRZZLXCDKYPQEZ-GOSISDBHSA-N 1 0 348.490 4.453 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(C)cc2OC)cc(OC)c1OC ZINC000823825950 1049877954 /nfs/dbraw/zinc/87/79/54/1049877954.db2.gz YYSYLSGNDFXCFO-UHFFFAOYSA-N 1 0 341.451 4.039 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1cccc(Br)c1 ZINC001172289744 1049880833 /nfs/dbraw/zinc/88/08/33/1049880833.db2.gz HARAXNOWSVWTAY-CQSZACIVSA-N 1 0 343.268 4.084 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC001172290428 1049880865 /nfs/dbraw/zinc/88/08/65/1049880865.db2.gz PNELQGMVLVCOPS-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001172297349 1049882720 /nfs/dbraw/zinc/88/27/20/1049882720.db2.gz OMHRLBLDVMEDBC-YJBOKZPZSA-N 1 0 329.447 4.133 20 30 EIEDRO COc1ccc(CC2([NH2+][C@@H](C)Cc3ccc(C#N)cc3)CCC2)cc1 ZINC001172298933 1049882959 /nfs/dbraw/zinc/88/29/59/1049882959.db2.gz GWIYVGKEWGVZRN-KRWDZBQOSA-N 1 0 334.463 4.253 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)NC(=[NH2+])Cc1cccc(C(F)(F)F)c1 ZINC001172299098 1049883053 /nfs/dbraw/zinc/88/30/53/1049883053.db2.gz JAWHSQYPJDECGJ-ZDUSSCGKSA-N 1 0 345.368 4.318 20 30 EIEDRO CCCCCCC[C@@H](CC)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001172347479 1049890228 /nfs/dbraw/zinc/89/02/28/1049890228.db2.gz VTLXFJOEXJNVGC-QGZVFWFLSA-N 1 0 340.533 4.050 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]CCc1ccc(S(C)(=O)=O)cc1 ZINC001172346650 1049890510 /nfs/dbraw/zinc/89/05/10/1049890510.db2.gz KYLZVRCAMNESED-GOSISDBHSA-N 1 0 339.545 4.361 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001172350151 1049891509 /nfs/dbraw/zinc/89/15/09/1049891509.db2.gz KDSMLIAGVMJZMR-QZTJIDSGSA-N 1 0 331.504 4.025 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]CCc1cccc(S(C)(=O)=O)c1 ZINC001172351053 1049892306 /nfs/dbraw/zinc/89/23/06/1049892306.db2.gz RNAJKVVLFPLAPT-GOSISDBHSA-N 1 0 339.545 4.361 20 30 EIEDRO C=C[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000823997508 1049894106 /nfs/dbraw/zinc/89/41/06/1049894106.db2.gz ZFMKDIZRMFDVEW-RYQLBKOJSA-N 1 0 330.472 4.291 20 30 EIEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001172356303 1049894300 /nfs/dbraw/zinc/89/43/00/1049894300.db2.gz VWNLKXCDRDTYTA-AZUAARDMSA-N 1 0 330.520 4.270 20 30 EIEDRO CCCCCCC[C@H](CC)[N@@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001172357202 1049894712 /nfs/dbraw/zinc/89/47/12/1049894712.db2.gz JGOJOQLGOFAWSD-KRWDZBQOSA-N 1 0 349.519 4.405 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001172357638 1049894718 /nfs/dbraw/zinc/89/47/18/1049894718.db2.gz LFCOTNMBJQOOCP-MOPGFXCFSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(OCC(=O)NCCC)CC1 ZINC001172360034 1049895611 /nfs/dbraw/zinc/89/56/11/1049895611.db2.gz HYXCOZSUSIVUNF-GOSISDBHSA-N 1 0 340.552 4.133 20 30 EIEDRO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@@H](CC)CCCCCCC ZINC001172358664 1049895635 /nfs/dbraw/zinc/89/56/35/1049895635.db2.gz SBDXIGYPFFNTEO-HKUYNNGSSA-N 1 0 348.535 4.056 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001172476116 1049908805 /nfs/dbraw/zinc/90/88/05/1049908805.db2.gz HFRJUUPQKLSHNT-VQIMIIECSA-N 1 0 337.508 4.086 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 ZINC001172481771 1049909748 /nfs/dbraw/zinc/90/97/48/1049909748.db2.gz XTHUSWIIURVCLA-MNNVXMFVSA-N 1 0 335.492 4.028 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC001172487406 1049909795 /nfs/dbraw/zinc/90/97/95/1049909795.db2.gz HKBZFCTWNOWLTJ-CQSZACIVSA-N 1 0 337.870 4.115 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]Cc1cccc(CN(C)C(=O)OC(C)(C)C)c1 ZINC001172484479 1049911568 /nfs/dbraw/zinc/91/15/68/1049911568.db2.gz FFJNHIWJCZVOOU-MRXNPFEDSA-N 1 0 345.487 4.225 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000037748930 1049915414 /nfs/dbraw/zinc/91/54/14/1049915414.db2.gz NCJBXDMVXUCMKT-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO N#Cc1ccc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1F ZINC000616773396 1049917241 /nfs/dbraw/zinc/91/72/41/1049917241.db2.gz NYQMNJJRBGZXHX-OAQYLSRUSA-N 1 0 337.442 4.014 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1CCN(Cc2cccc(Cl)c2F)CC1 ZINC001172488697 1049920971 /nfs/dbraw/zinc/92/09/71/1049920971.db2.gz NTDAIBVKUNMILB-CQSZACIVSA-N 1 0 337.870 4.115 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001172490788 1049920992 /nfs/dbraw/zinc/92/09/92/1049920992.db2.gz ALJZDGZUTUCROC-OAHLLOKOSA-N 1 0 331.460 4.248 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CCc1c(-c2ccccc2)nc2ccccn21 ZINC001172492823 1049921356 /nfs/dbraw/zinc/92/13/56/1049921356.db2.gz UVYWSCHLNFNGCY-QGZVFWFLSA-N 1 0 332.451 4.216 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001172498851 1049922665 /nfs/dbraw/zinc/92/26/65/1049922665.db2.gz RTFLCSWCIZYHSG-OAHLLOKOSA-N 1 0 343.471 4.474 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001172502961 1049922868 /nfs/dbraw/zinc/92/28/68/1049922868.db2.gz UXIGTSNLESAKRF-GOSISDBHSA-N 1 0 325.541 4.251 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+]C1CCN(COC(C)=O)CC1 ZINC001172501195 1049923014 /nfs/dbraw/zinc/92/30/14/1049923014.db2.gz AMMOSCHGBPERBN-SFHVURJKSA-N 1 0 326.525 4.090 20 30 EIEDRO COc1ccc(CN2CCCC[C@@H]2C[N@H+](C)[C@H](C)CCCC#N)cc1 ZINC001172498361 1049923351 /nfs/dbraw/zinc/92/33/51/1049923351.db2.gz MCEYKAPWRPKMFS-UYAOXDASSA-N 1 0 343.515 4.064 20 30 EIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001172505242 1049923906 /nfs/dbraw/zinc/92/39/06/1049923906.db2.gz KWLUYUAFVIBWBG-MKXGPGLRSA-N 1 0 339.520 4.168 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH+]1CC([C@H](N)C(=O)OC(C)(C)C)C1 ZINC001172504851 1049924042 /nfs/dbraw/zinc/92/40/42/1049924042.db2.gz HLMHUWLVUJJFKI-MSOLQXFVSA-N 1 0 340.552 4.116 20 30 EIEDRO C=CCOCc1nn([C@H]2CCC[C@@H](c3ccccc3)C2)c2c1C[NH2+]C2 ZINC001172540552 1049944514 /nfs/dbraw/zinc/94/45/14/1049944514.db2.gz IUOWRKOYTITROZ-MSOLQXFVSA-N 1 0 337.467 4.088 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172629342 1049953449 /nfs/dbraw/zinc/95/34/49/1049953449.db2.gz YRXWVTVCZFTDJF-ABSDTBQOSA-N 1 0 336.520 4.336 20 30 EIEDRO CC1(C)CC([NH+]2CCC(C#N)(c3ccccc3F)CC2)CC(C)(C)O1 ZINC001172661038 1049960077 /nfs/dbraw/zinc/96/00/77/1049960077.db2.gz LHARRSNFNUBLCX-UHFFFAOYSA-N 1 0 344.474 4.419 20 30 EIEDRO CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000248737927 1050074864 /nfs/dbraw/zinc/07/48/64/1050074864.db2.gz DUKISMGISBALFQ-KZNAEPCWSA-N 1 0 331.529 4.193 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000248791653 1050077396 /nfs/dbraw/zinc/07/73/96/1050077396.db2.gz IURPASFYKTWUNQ-MNEFBYGVSA-N 1 0 331.891 4.149 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCc4ccccc43)CC2)cc1 ZINC000181390755 1050114611 /nfs/dbraw/zinc/11/46/11/1050114611.db2.gz WJKUDTDQENBFIW-QHCPKHFHSA-N 1 0 345.490 4.190 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1cccc(C#N)c1 ZINC000181401801 1050116039 /nfs/dbraw/zinc/11/60/39/1050116039.db2.gz GADFZLXBISCSOM-KUHUBIRLSA-N 1 0 327.859 4.165 20 30 EIEDRO C=CCC1(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CCCCC1 ZINC001177212169 1050162776 /nfs/dbraw/zinc/16/27/76/1050162776.db2.gz RWADYSPHMDMPQH-UHFFFAOYSA-N 1 0 332.532 4.380 20 30 EIEDRO C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001172848338 1050186467 /nfs/dbraw/zinc/18/64/67/1050186467.db2.gz UKURLDDXODIICN-CYBMUJFWSA-N 1 0 328.818 4.340 20 30 EIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCCOc1ccccc1C#N ZINC001172850760 1050188225 /nfs/dbraw/zinc/18/82/25/1050188225.db2.gz AZOIJPUDDOCPCK-CQSZACIVSA-N 1 0 346.833 4.340 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(C#N)c1 ZINC001172902149 1050205422 /nfs/dbraw/zinc/20/54/22/1050205422.db2.gz VZUKAMNHEQJAHP-LIRRHRJNSA-N 1 0 335.407 4.065 20 30 EIEDRO N#Cc1cccnc1NCC[NH2+]Cc1ccc2oc3ccccc3c2c1 ZINC001177506209 1050232268 /nfs/dbraw/zinc/23/22/68/1050232268.db2.gz HRQHEFZALLDYOJ-UHFFFAOYSA-N 1 0 342.402 4.054 20 30 EIEDRO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972824 1050251187 /nfs/dbraw/zinc/25/11/87/1050251187.db2.gz BZNLOELUDDZWII-IKGGRYGDSA-N 1 0 337.508 4.082 20 30 EIEDRO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981230 1050254157 /nfs/dbraw/zinc/25/41/57/1050254157.db2.gz KTFIQLXYTOJXMV-JQHSSLGASA-N 1 0 349.519 4.227 20 30 EIEDRO CCCC[NH+](CCCC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172984413 1050254212 /nfs/dbraw/zinc/25/42/12/1050254212.db2.gz KZUBJXHJWDGYLS-IRXDYDNUSA-N 1 0 337.508 4.180 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)c1ccccc1F)c1ccc(OCC#N)cc1 ZINC000181643318 1050280496 /nfs/dbraw/zinc/28/04/96/1050280496.db2.gz FMRSBYHVPWFRNC-OAHLLOKOSA-N 1 0 326.415 4.356 20 30 EIEDRO C=C(C[NH2+]Cc1ccc(OC)cc1Br)c1ccccc1 ZINC001177688338 1050280641 /nfs/dbraw/zinc/28/06/41/1050280641.db2.gz UQZPFZAHGLCPBH-UHFFFAOYSA-N 1 0 332.241 4.261 20 30 EIEDRO C=CC[C@@H]([NH2+]Cc1cc(C)c(C2OCCO2)cc1C)c1ccncc1 ZINC001177884694 1050320460 /nfs/dbraw/zinc/32/04/60/1050320460.db2.gz HLDKZFJMXNSNJZ-HXUWFJFHSA-N 1 0 338.451 4.151 20 30 EIEDRO COc1ccc([C@H](C)CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181813318 1050343736 /nfs/dbraw/zinc/34/37/36/1050343736.db2.gz DWGMQPJUSACFAU-IAGOWNOFSA-N 1 0 338.451 4.442 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC001173220264 1050352537 /nfs/dbraw/zinc/35/25/37/1050352537.db2.gz XBTPXZARPGGDMN-MGPUTAFESA-N 1 0 337.423 4.384 20 30 EIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Oc1cccc(F)c1 ZINC000181874280 1050368109 /nfs/dbraw/zinc/36/81/09/1050368109.db2.gz FQYCJRYOFMBBDQ-YJBOKZPZSA-N 1 0 342.414 4.236 20 30 EIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)Cc1ccc(CC)cc1)C2 ZINC001173249153 1050377279 /nfs/dbraw/zinc/37/72/79/1050377279.db2.gz YCZSBVGJDWUGOD-BVYCBKJFSA-N 1 0 343.511 4.006 20 30 EIEDRO C=CCOCc1nn(C)c2c1C[N@H+]([C@@H](CCCC)CC(C)C)CC2 ZINC001173259973 1050384318 /nfs/dbraw/zinc/38/43/18/1050384318.db2.gz KDLBHPADKVXVMI-KRWDZBQOSA-N 1 0 333.520 4.086 20 30 EIEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[C@H](CC)C3)C2)CC1 ZINC001173275873 1050390114 /nfs/dbraw/zinc/39/01/14/1050390114.db2.gz WIAJEAUALQMPOO-ROUUACIJSA-N 1 0 334.504 4.066 20 30 EIEDRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3cccc(C#N)c3)cc2)n1 ZINC000181934427 1050391707 /nfs/dbraw/zinc/39/17/07/1050391707.db2.gz DKTFYVNXXUUXBH-OAHLLOKOSA-N 1 0 346.434 4.064 20 30 EIEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[C@H](CC)C3)CC2)C1 ZINC001173275401 1050393336 /nfs/dbraw/zinc/39/33/36/1050393336.db2.gz VADQQHPRYNNOLB-ROUUACIJSA-N 1 0 334.504 4.066 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC1 ZINC001173308918 1050404278 /nfs/dbraw/zinc/40/42/78/1050404278.db2.gz PHKOJIPOYUCIDR-UHFFFAOYSA-N 1 0 347.352 4.328 20 30 EIEDRO CCCCCCCC[C@@H](CCC)NC1(C(=O)OC)CC[NH+](C)CC1 ZINC001173308805 1050404778 /nfs/dbraw/zinc/40/47/78/1050404778.db2.gz CMCVLMQKWUYJIG-GOSISDBHSA-N 1 0 340.552 4.133 20 30 EIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[C@H](CC)C1)CC2 ZINC001173276894 1050405768 /nfs/dbraw/zinc/40/57/68/1050405768.db2.gz ZDMOSEDLROEREY-ROUUACIJSA-N 1 0 334.504 4.066 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC001173311678 1050405897 /nfs/dbraw/zinc/40/58/97/1050405897.db2.gz NUIJQYBPYXCRSX-UHFFFAOYSA-N 1 0 328.481 4.414 20 30 EIEDRO C=CCOC1CCC([N@H+](CC)[C@@H](C)Cc2ccc(OC)cc2)CC1 ZINC001173321650 1050415697 /nfs/dbraw/zinc/41/56/97/1050415697.db2.gz NOUXSVKLILEWJU-OCDPCBSRSA-N 1 0 331.500 4.462 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001173326900 1050417647 /nfs/dbraw/zinc/41/76/47/1050417647.db2.gz UKXKSGNNYPXPQY-MHJFOBGBSA-N 1 0 349.902 4.401 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC001173326311 1050418073 /nfs/dbraw/zinc/41/80/73/1050418073.db2.gz XEVTWCGWQWTOMB-LDZOIKDWSA-N 1 0 349.272 4.335 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(CC#N)CC2)cc1C(F)(F)F ZINC001173330069 1050420025 /nfs/dbraw/zinc/42/00/25/1050420025.db2.gz RYHKLTRQOCXQBB-UHFFFAOYSA-N 1 0 326.362 4.276 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]C2CCC(CC#N)CC2)CCN1Cc1ccccc1 ZINC001173327710 1050420504 /nfs/dbraw/zinc/42/05/04/1050420504.db2.gz HHNXGFPYLDMSLW-QUWFBVPJSA-N 1 0 325.500 4.102 20 30 EIEDRO CC(C)(C)OC(=O)NC1(C[NH2+]C2CCC(CC#N)CC2)CCCCC1 ZINC001173330327 1050420586 /nfs/dbraw/zinc/42/05/86/1050420586.db2.gz PTAKHFKQKJYADJ-UHFFFAOYSA-N 1 0 349.519 4.276 20 30 EIEDRO N#CCC1CCC([NH2+]C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001173333324 1050422004 /nfs/dbraw/zinc/42/20/04/1050422004.db2.gz GXVBPBUDAQQKQK-UHFFFAOYSA-N 1 0 345.918 4.366 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(F)c(Br)c1 ZINC000618573729 1050423292 /nfs/dbraw/zinc/42/32/92/1050423292.db2.gz PFTJUKXIFAKLPZ-MDZLAQPJSA-N 1 0 325.225 4.321 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(Br)c1 ZINC000618573730 1050423406 /nfs/dbraw/zinc/42/34/06/1050423406.db2.gz PFTJUKXIFAKLPZ-NQBHXWOUSA-N 1 0 325.225 4.321 20 30 EIEDRO COc1cccc(CC2(C[NH2+]C3CCC(CC#N)CC3)CCC2)c1 ZINC001173332472 1050423588 /nfs/dbraw/zinc/42/35/88/1050423588.db2.gz LZDSRMIHTQCYLV-UHFFFAOYSA-N 1 0 326.484 4.470 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc2ccccc21)c1ccc(OCC#N)cc1 ZINC000182004040 1050424402 /nfs/dbraw/zinc/42/44/02/1050424402.db2.gz PQWAORTZVMIUAT-QGZVFWFLSA-N 1 0 346.430 4.472 20 30 EIEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173334639 1050424910 /nfs/dbraw/zinc/42/49/10/1050424910.db2.gz ZFDFSCBQICWMNH-DQVLVPHSSA-N 1 0 339.527 4.349 20 30 EIEDRO C=CCOC1CCC([NH2+]C2(CCOC)CCC(F)(F)CC2)CC1 ZINC001173318845 1050440514 /nfs/dbraw/zinc/44/05/14/1050440514.db2.gz OWUWRGMBYJKYBJ-UHFFFAOYSA-N 1 0 331.447 4.074 20 30 EIEDRO C=CCOC1CCC([NH2+]CCC(C(F)(F)F)C(F)(F)F)CC1 ZINC001173319213 1050440615 /nfs/dbraw/zinc/44/06/15/1050440615.db2.gz ABYMJOVFJLODKC-UHFFFAOYSA-N 1 0 333.316 4.221 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(Br)cc2C)CC1 ZINC001173318407 1050441498 /nfs/dbraw/zinc/44/14/98/1050441498.db2.gz SNTIROSZMOTDEF-UHFFFAOYSA-N 1 0 338.289 4.361 20 30 EIEDRO C=CCOC1CCC([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC001173317335 1050441542 /nfs/dbraw/zinc/44/15/42/1050441542.db2.gz FQVHGIIDPFLZCV-UHFFFAOYSA-N 1 0 349.902 4.449 20 30 EIEDRO CC[N@@H+]1CC[C@H](N(Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)C1 ZINC001173368410 1050443245 /nfs/dbraw/zinc/44/32/45/1050443245.db2.gz PKPQURJAUGAHFD-AVRDEDQJSA-N 1 0 333.479 4.216 20 30 EIEDRO CCCCC[N@H+](CCNc1cc(C)c(C#N)cn1)Cc1ccccc1 ZINC001186941082 1050443813 /nfs/dbraw/zinc/44/38/13/1050443813.db2.gz WOXKQVPZOWAUDB-UHFFFAOYSA-N 1 0 336.483 4.366 20 30 EIEDRO C=C(C)CNC(=O)C[C@H]1C[N@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC001186946127 1050450558 /nfs/dbraw/zinc/45/05/58/1050450558.db2.gz BVAMIDGAACYVFS-NQIIRXRSSA-N 1 0 348.490 4.179 20 30 EIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173475030 1050459401 /nfs/dbraw/zinc/45/94/01/1050459401.db2.gz FLUQXHWPFIBPKT-CYBMUJFWSA-N 1 0 329.390 4.348 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)[C@H](O)C(C)C)cc1Cl ZINC001178404315 1050462156 /nfs/dbraw/zinc/46/21/56/1050462156.db2.gz KUISRMAXGTXAKO-QGZVFWFLSA-N 1 0 325.880 4.038 20 30 EIEDRO N#Cc1ccc(NC[C@H]2CC[N@@H+]2C2CCCCC2)cc1Br ZINC001187064254 1050472554 /nfs/dbraw/zinc/47/25/54/1050472554.db2.gz RJDFNHUXERGGBA-MRXNPFEDSA-N 1 0 348.288 4.140 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCCc2ccccc2Br)CC1 ZINC001173588385 1050494218 /nfs/dbraw/zinc/49/42/18/1050494218.db2.gz CIPHDSIAIBZQSD-UHFFFAOYSA-N 1 0 335.289 4.444 20 30 EIEDRO COCCC1(C[NH2+]C2CCC(C)(C#N)CC2)CCC(F)(F)CC1 ZINC001173591210 1050494275 /nfs/dbraw/zinc/49/42/75/1050494275.db2.gz LOEZXQBOZWTYAQ-UHFFFAOYSA-N 1 0 328.447 4.281 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001173590495 1050494768 /nfs/dbraw/zinc/49/47/68/1050494768.db2.gz LMNMQMGPQICUFM-UHFFFAOYSA-N 1 0 342.336 4.089 20 30 EIEDRO CC1(C#N)CCC([NH2+]C2(c3ccccc3Cl)CCOCC2)CC1 ZINC001173591696 1050494916 /nfs/dbraw/zinc/49/49/16/1050494916.db2.gz PYVSCCYYNGZQRY-UHFFFAOYSA-N 1 0 332.875 4.408 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC001173588576 1050495518 /nfs/dbraw/zinc/49/55/18/1050495518.db2.gz LEZGSWYLAJZWHX-IOJLRTSASA-N 1 0 330.447 4.355 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCOc3cc(Br)ccc32)CC1 ZINC001173592820 1050496528 /nfs/dbraw/zinc/49/65/28/1050496528.db2.gz CSCJEGXWPYHFFL-GNHJJJEISA-N 1 0 349.272 4.335 20 30 EIEDRO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173596667 1050497215 /nfs/dbraw/zinc/49/72/15/1050497215.db2.gz BDSXXPLVTYIUCT-SCCNAQOGSA-N 1 0 340.467 4.473 20 30 EIEDRO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173596665 1050497271 /nfs/dbraw/zinc/49/72/71/1050497271.db2.gz BDSXXPLVTYIUCT-OBXNSHGQSA-N 1 0 340.467 4.473 20 30 EIEDRO C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@H+](C)C1CCC(C)(C#N)CC1 ZINC001173599922 1050499227 /nfs/dbraw/zinc/49/92/27/1050499227.db2.gz SXTRDBQJQBMHGA-PMJAUZGISA-N 1 0 339.527 4.301 20 30 EIEDRO CC[N@H+](C1CCN(C(=O)OC(C)(C)C)CC1)C1CCC(C)(C#N)CC1 ZINC001173599318 1050499698 /nfs/dbraw/zinc/49/96/98/1050499698.db2.gz JYOBMUCDBXYCHQ-UHFFFAOYSA-N 1 0 349.519 4.180 20 30 EIEDRO CC1(C#N)CCC([NH+]2CC(Oc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001173597210 1050500025 /nfs/dbraw/zinc/50/00/25/1050500025.db2.gz MAWFBKKMCNUQJS-UHFFFAOYSA-N 1 0 338.373 4.241 20 30 EIEDRO CCN(C)c1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000773746900 1050500329 /nfs/dbraw/zinc/50/03/29/1050500329.db2.gz BRMQURXMEWULOX-UHFFFAOYSA-N 1 0 349.478 4.058 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(Br)cs1 ZINC000618742619 1050500762 /nfs/dbraw/zinc/50/07/62/1050500762.db2.gz NAFFNDVXXWGNKV-HNNXBMFYSA-N 1 0 333.254 4.159 20 30 EIEDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618802528 1050520856 /nfs/dbraw/zinc/52/08/56/1050520856.db2.gz FHTUOOWKJOFTHV-KVWWFHCMSA-N 1 0 340.467 4.036 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(OC(F)F)cc1 ZINC000618802275 1050520943 /nfs/dbraw/zinc/52/09/43/1050520943.db2.gz HRAAKQSLBXTAJM-XIKOKIGWSA-N 1 0 328.362 4.498 20 30 EIEDRO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000763502378 1050529949 /nfs/dbraw/zinc/52/99/49/1050529949.db2.gz UPPPAZCVEOUWQU-JOCHJYFZSA-N 1 0 346.430 4.196 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000618805104 1050534132 /nfs/dbraw/zinc/53/41/32/1050534132.db2.gz CXTYONXIIPFDST-DJJJIMSYSA-N 1 0 345.446 4.126 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000618805107 1050534605 /nfs/dbraw/zinc/53/46/05/1050534605.db2.gz CXTYONXIIPFDST-ORAYPTAESA-N 1 0 345.446 4.126 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(OC)c3ccccc23)cc1 ZINC001178754750 1050544526 /nfs/dbraw/zinc/54/45/26/1050544526.db2.gz UZQOADFBVWVGCW-UHFFFAOYSA-N 1 0 331.415 4.150 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000618831443 1050545095 /nfs/dbraw/zinc/54/50/95/1050545095.db2.gz SELLIULQVJPSSC-KRWDZBQOSA-N 1 0 334.316 4.493 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001178765740 1050549013 /nfs/dbraw/zinc/54/90/13/1050549013.db2.gz GKZKSQCIWYHSFU-UXHICEINSA-N 1 0 327.399 4.441 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1)c1cccc(C#N)c1 ZINC001173718077 1050553182 /nfs/dbraw/zinc/55/31/82/1050553182.db2.gz WATBSOIHKKCOGC-FOIQADDNSA-N 1 0 336.435 4.017 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH2+]Cc3cccc(C#N)c3)CC2)cc1 ZINC001173780873 1050568495 /nfs/dbraw/zinc/56/84/95/1050568495.db2.gz WAROPOMCDNBBJF-UHFFFAOYSA-N 1 0 348.446 4.300 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([N@@H+]3CCC[C@@H](C#N)CC3)CC2)cc1 ZINC001173789567 1050571751 /nfs/dbraw/zinc/57/17/51/1050571751.db2.gz KPNQPAMAZQUOGN-PGYGNJIDSA-N 1 0 340.467 4.264 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)s1 ZINC001178976805 1050590872 /nfs/dbraw/zinc/59/08/72/1050590872.db2.gz BSKIFFYPDYKAJS-UHFFFAOYSA-N 1 0 330.359 4.448 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000618991245 1050613779 /nfs/dbraw/zinc/61/37/79/1050613779.db2.gz FJNVJJCSVQDCRO-XXBNENTESA-N 1 0 345.490 4.442 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC001179044687 1050616175 /nfs/dbraw/zinc/61/61/75/1050616175.db2.gz NFJGNHNDYTUNHM-MSOLQXFVSA-N 1 0 334.891 4.011 20 30 EIEDRO C=CCCC1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCC1 ZINC001179143480 1050632374 /nfs/dbraw/zinc/63/23/74/1050632374.db2.gz XSFFYJGOYDVORT-UHFFFAOYSA-N 1 0 342.527 4.264 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cc1OC ZINC001179169006 1050646619 /nfs/dbraw/zinc/64/66/19/1050646619.db2.gz OYHJHXYXVKPMMT-PMPSAXMXSA-N 1 0 335.875 4.439 20 30 EIEDRO C=C[C@H](CO)[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1 ZINC001179216913 1050651854 /nfs/dbraw/zinc/65/18/54/1050651854.db2.gz SCXNFXJJQVFBRB-LLVKDONJSA-N 1 0 328.264 4.358 20 30 EIEDRO CC[C@H]1CCC[C@H](C[NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC001179304793 1050666743 /nfs/dbraw/zinc/66/67/43/1050666743.db2.gz TXCJDOWVHMNWLW-ROUUACIJSA-N 1 0 325.500 4.333 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C#N ZINC001179562616 1050715373 /nfs/dbraw/zinc/71/53/73/1050715373.db2.gz IOHSWBPDVHKMIM-UHFFFAOYSA-N 1 0 347.374 4.325 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)cc(C(F)(F)F)c1 ZINC001179562897 1050717527 /nfs/dbraw/zinc/71/75/27/1050717527.db2.gz XOYNIWKAPBKSAP-UHFFFAOYSA-N 1 0 334.341 4.184 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCc3ccccc3C2)cc1 ZINC001179707114 1050761495 /nfs/dbraw/zinc/76/14/95/1050761495.db2.gz ZLIATYKDMKZAHK-NRFANRHFSA-N 1 0 333.479 4.074 20 30 EIEDRO N#Cc1cc(C[NH2+]C[C@H](Cc2ccccc2)c2ccccn2)cs1 ZINC001179821730 1050775397 /nfs/dbraw/zinc/77/53/97/1050775397.db2.gz GRDRKUWDOITXJE-SFHVURJKSA-N 1 0 333.460 4.131 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21)c1cccc(C#N)c1 ZINC000619465697 1050790567 /nfs/dbraw/zinc/79/05/67/1050790567.db2.gz NLXGNFWZYZGGKB-IERDGZPVSA-N 1 0 342.446 4.472 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000182786181 1050829465 /nfs/dbraw/zinc/82/94/65/1050829465.db2.gz COGRNQSXFOFYKM-UHFFFAOYSA-N 1 0 331.463 4.123 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)ccc1C#N ZINC000619654549 1050847879 /nfs/dbraw/zinc/84/78/79/1050847879.db2.gz ZJESRUZOQMLGKT-LJQANCHMSA-N 1 0 348.446 4.493 20 30 EIEDRO C#CC[N@@H+](Cc1cccc(F)c1OC(F)(F)F)C1CCCCC1 ZINC001180030758 1050859233 /nfs/dbraw/zinc/85/92/33/1050859233.db2.gz OOHMAUJZDLBNGH-UHFFFAOYSA-N 1 0 329.337 4.492 20 30 EIEDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755465 1050883427 /nfs/dbraw/zinc/88/34/27/1050883427.db2.gz YEHPWWYOPOPEGB-ZDUSSCGKSA-N 1 0 342.826 4.051 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000619755715 1050884040 /nfs/dbraw/zinc/88/40/40/1050884040.db2.gz QDPIAKGMMKKYCX-BEFAXECRSA-N 1 0 345.918 4.344 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000619754978 1050884648 /nfs/dbraw/zinc/88/46/48/1050884648.db2.gz PXJPUPCTVONGGJ-LBPRGKRZSA-N 1 0 329.787 4.279 20 30 EIEDRO COc1cccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1OC(C)C ZINC000619748323 1050893918 /nfs/dbraw/zinc/89/39/18/1050893918.db2.gz ICALXOZLCBPBSX-UHFFFAOYSA-N 1 0 344.842 4.297 20 30 EIEDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1 ZINC000619749002 1050895708 /nfs/dbraw/zinc/89/57/08/1050895708.db2.gz VUBZYYHOPKTBQI-KXBFYZLASA-N 1 0 339.870 4.137 20 30 EIEDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748895 1050895737 /nfs/dbraw/zinc/89/57/37/1050895737.db2.gz XVKNDMKWRNFCSS-QPEQYQDCSA-N 1 0 341.798 4.313 20 30 EIEDRO CC1(C)CCC[C@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001180184034 1050897630 /nfs/dbraw/zinc/89/76/30/1050897630.db2.gz KCUYADJMIGKYAM-SFHVURJKSA-N 1 0 325.500 4.287 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000152968702 1050911831 /nfs/dbraw/zinc/91/18/31/1050911831.db2.gz RGPNJBLOLFWJJP-HNNXBMFYSA-N 1 0 338.442 4.288 20 30 EIEDRO CCCC(C)(C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1cccs1 ZINC000619815709 1050919260 /nfs/dbraw/zinc/91/92/60/1050919260.db2.gz NVWJWAZTFKFSDN-IBGZPJMESA-N 1 0 349.544 4.183 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)c(C)s1 ZINC000182989357 1050928871 /nfs/dbraw/zinc/92/88/71/1050928871.db2.gz WUFLLVWPNVECRU-NSHDSACASA-N 1 0 347.509 4.204 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)c(C)s1 ZINC000182987407 1050930163 /nfs/dbraw/zinc/93/01/63/1050930163.db2.gz GGIASRVHDBNZBN-LLVKDONJSA-N 1 0 347.871 4.179 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N(C)C2CC[NH+](CC)CC2)c1 ZINC001189263527 1050949643 /nfs/dbraw/zinc/94/96/43/1050949643.db2.gz IDTOFTLKORMQOA-UHFFFAOYSA-N 1 0 343.515 4.081 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)c(Br)c1 ZINC001180349305 1050964447 /nfs/dbraw/zinc/96/44/47/1050964447.db2.gz KUVQJGSFLLDIBL-RWMBFGLXSA-N 1 0 337.261 4.191 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cn(-c2ccccc2F)nc1C ZINC001180333084 1050972891 /nfs/dbraw/zinc/97/28/91/1050972891.db2.gz ZEDSRIQDQAVTDY-UHFFFAOYSA-N 1 0 339.414 4.144 20 30 EIEDRO C[C@H](CCC#N)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001180372503 1050983451 /nfs/dbraw/zinc/98/34/51/1050983451.db2.gz TULDECJFXPYFIO-HXUWFJFHSA-N 1 0 347.506 4.333 20 30 EIEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000183248045 1051039588 /nfs/dbraw/zinc/03/95/88/1051039588.db2.gz BVOYCMINJKPRCR-KRWDZBQOSA-N 1 0 341.480 4.244 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1F ZINC001180601723 1051049734 /nfs/dbraw/zinc/04/97/34/1051049734.db2.gz CBNURLBOAFBEQY-JOCHJYFZSA-N 1 0 346.405 4.188 20 30 EIEDRO C[C@@H](Cc1ccno1)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001180812346 1051090003 /nfs/dbraw/zinc/09/00/03/1051090003.db2.gz ZCIFUXKQJSOKMN-HOTGVXAUSA-N 1 0 331.419 4.495 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](OC)c1ccc(F)cc1 ZINC001190347524 1051160889 /nfs/dbraw/zinc/16/08/89/1051160889.db2.gz CUWWZKWNBBYGED-FQEVSTJZSA-N 1 0 326.415 4.297 20 30 EIEDRO CCCCCCC[C@@H](C)C(=O)N(Cc1cccc(C[NH3+])c1)C(C)=N ZINC001181134118 1051162637 /nfs/dbraw/zinc/16/26/37/1051162637.db2.gz DEYYJSVOIGROFS-MRXNPFEDSA-N 1 0 331.504 4.468 20 30 EIEDRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)ccc1C#N ZINC001181163255 1051180339 /nfs/dbraw/zinc/18/03/39/1051180339.db2.gz QEDCLBNTLMAYHI-WKCHPHFGSA-N 1 0 332.447 4.477 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000775393946 1051202285 /nfs/dbraw/zinc/20/22/85/1051202285.db2.gz CJJJEUKEICFBDH-MOPGFXCFSA-N 1 0 348.471 4.474 20 30 EIEDRO C#CCN(Cc1cc(OC)ccc1Cl)[C@@H]1CCc2ccccc21 ZINC001190529619 1051206148 /nfs/dbraw/zinc/20/61/48/1051206148.db2.gz UXAVPIRCWGSYHV-HXUWFJFHSA-N 1 0 325.839 4.471 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCSc1nccs1 ZINC000775396777 1051211830 /nfs/dbraw/zinc/21/18/30/1051211830.db2.gz XAMDXTTYNLRBFO-INIZCTEOSA-N 1 0 329.494 4.164 20 30 EIEDRO COC(=O)c1csc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC001190616316 1051220366 /nfs/dbraw/zinc/22/03/66/1051220366.db2.gz LEIWSHVWISXFQG-UHFFFAOYSA-N 1 0 342.464 4.065 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1c(CC)cccc1CC)c1ccccc1 ZINC000775400780 1051225304 /nfs/dbraw/zinc/22/53/04/1051225304.db2.gz MHEBKPFGXLHQBF-FQEVSTJZSA-N 1 0 334.463 4.104 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccc1 ZINC000775399792 1051235035 /nfs/dbraw/zinc/23/50/35/1051235035.db2.gz JTCKADFDZKFPLN-OAQYLSRUSA-N 1 0 343.426 4.136 20 30 EIEDRO C#CC[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775401531 1051237773 /nfs/dbraw/zinc/23/77/73/1051237773.db2.gz UFJZJCSXIAXXQQ-ZWKOTPCHSA-N 1 0 333.353 4.093 20 30 EIEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CCC1CCCCC1 ZINC001190706651 1051250700 /nfs/dbraw/zinc/25/07/00/1051250700.db2.gz AUVKCFLCDUMETA-IDYZSHNDSA-N 1 0 347.547 4.208 20 30 EIEDRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1Cc1cccc(C#N)c1 ZINC001174942541 1051263026 /nfs/dbraw/zinc/26/30/26/1051263026.db2.gz XAQMNDFBLXEHJZ-UHFFFAOYSA-N 1 0 347.506 4.433 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccc(C)c2C)c(C#N)c1C ZINC000183729883 1051328070 /nfs/dbraw/zinc/32/80/70/1051328070.db2.gz YFLGGBWVFZRWEQ-AWEZNQCLSA-N 1 0 341.480 4.143 20 30 EIEDRO CCCCCCCNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC001191081382 1051344854 /nfs/dbraw/zinc/34/48/54/1051344854.db2.gz NPGSNQKQWQOZPA-UHFFFAOYSA-N 1 0 335.492 4.109 20 30 EIEDRO CCCCCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001191112939 1051356430 /nfs/dbraw/zinc/35/64/30/1051356430.db2.gz PFRASAZNEUCECI-UYAOXDASSA-N 1 0 345.531 4.309 20 30 EIEDRO CCCCCCC[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC001191157403 1051367119 /nfs/dbraw/zinc/36/71/19/1051367119.db2.gz YGDALOUGAXSXJJ-UHFFFAOYSA-N 1 0 329.387 4.419 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)ccc1Cl ZINC001191193197 1051394149 /nfs/dbraw/zinc/39/41/49/1051394149.db2.gz JZBVAVNUKHOTSU-ZBFHGGJFSA-N 1 0 347.890 4.016 20 30 EIEDRO CCCC[N@H+](CC)[C@@H](C(=O)Nc1occ(C)c1C#N)c1ccccc1 ZINC001182231591 1051429415 /nfs/dbraw/zinc/42/94/15/1051429415.db2.gz KIAFDHXUOPGFLK-GOSISDBHSA-N 1 0 339.439 4.262 20 30 EIEDRO CCCC[N@H+](CC)[C@@H](C(=O)N[C@H]1CC[C@H](C#N)CC1)c1ccccc1 ZINC001182237409 1051433180 /nfs/dbraw/zinc/43/31/80/1051433180.db2.gz VURMZVFCWWXYGU-MISYRCLQSA-N 1 0 341.499 4.048 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000155654654 1051441464 /nfs/dbraw/zinc/44/14/64/1051441464.db2.gz LHMDLDGWQXSWQI-ZWKOTPCHSA-N 1 0 343.515 4.338 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccncc1Br ZINC001182326681 1051499559 /nfs/dbraw/zinc/49/95/59/1051499559.db2.gz KWQKFVRDSSIGGU-MRXNPFEDSA-N 1 0 331.257 4.121 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000774180752 1051506681 /nfs/dbraw/zinc/50/66/81/1051506681.db2.gz PLIUZJAWCRMEQN-FGZHOGPDSA-N 1 0 330.431 4.486 20 30 EIEDRO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001191774815 1051531670 /nfs/dbraw/zinc/53/16/70/1051531670.db2.gz ZVBHYYSEPXKHEU-MBSDFSHPSA-N 1 0 345.490 4.119 20 30 EIEDRO C=CCC1([NH2+]CCCN2CCN(c3ccccc3)CC2)CCCCC1 ZINC001175371439 1051557755 /nfs/dbraw/zinc/55/77/55/1051557755.db2.gz GJJVQZBMIZENRM-UHFFFAOYSA-N 1 0 341.543 4.067 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000774382157 1051569954 /nfs/dbraw/zinc/56/99/54/1051569954.db2.gz SDULGOHWICFWEA-UHIISALHSA-N 1 0 325.239 4.489 20 30 EIEDRO CC[C@@H]([NH2+]CCc1c[nH]c2cccc(OC)c12)c1ccc(C#N)cc1 ZINC000774356809 1051573848 /nfs/dbraw/zinc/57/38/48/1051573848.db2.gz XFMQILCFCCLBHX-GOSISDBHSA-N 1 0 333.435 4.332 20 30 EIEDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)n1 ZINC001192040606 1051619700 /nfs/dbraw/zinc/61/97/00/1051619700.db2.gz AMSNCQWGVRINBM-SFHVURJKSA-N 1 0 326.488 4.131 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506733 1051646969 /nfs/dbraw/zinc/64/69/69/1051646969.db2.gz CWVYNSWTLUIHTB-COPCDDAFSA-N 1 0 335.495 4.199 20 30 EIEDRO C#C[C@H]1CCC[N@@H+](C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001182603945 1051656637 /nfs/dbraw/zinc/65/66/37/1051656637.db2.gz BUMFILOFUQZLEH-IRXDYDNUSA-N 1 0 336.520 4.051 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001182665303 1051663825 /nfs/dbraw/zinc/66/38/25/1051663825.db2.gz GENXSYBVRYJUIN-FHLIZLRMSA-N 1 0 342.483 4.475 20 30 EIEDRO CCCC[N@H+](Cc1cccc(F)c1C#N)[C@@H]1CCc2ncsc2C1 ZINC001182716042 1051683785 /nfs/dbraw/zinc/68/37/85/1051683785.db2.gz TYKORFKFTXHZPF-OAHLLOKOSA-N 1 0 343.471 4.313 20 30 EIEDRO C=CC[C@H](C)[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 ZINC001175651899 1051693177 /nfs/dbraw/zinc/69/31/77/1051693177.db2.gz PVWQVSBSQGETEA-WMZOPIPTSA-N 1 0 348.531 4.453 20 30 EIEDRO CC#CCCCCCCCC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001182768467 1051704505 /nfs/dbraw/zinc/70/45/05/1051704505.db2.gz CXSDXSZPJFSLBY-HXUWFJFHSA-N 1 0 332.532 4.217 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)COc1ccc(CCOC)cc1 ZINC001182843721 1051714694 /nfs/dbraw/zinc/71/46/94/1051714694.db2.gz GHFWYPGZDMQGJV-YFVAEKQCSA-N 1 0 331.500 4.367 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000158401180 1051742422 /nfs/dbraw/zinc/74/24/22/1051742422.db2.gz BTZPCGMHMLFWLH-UHFFFAOYSA-N 1 0 334.529 4.021 20 30 EIEDRO N#CC1(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCCC1 ZINC001182929679 1051754314 /nfs/dbraw/zinc/75/43/14/1051754314.db2.gz GKKALVCTSXSINH-TZIWHRDSSA-N 1 0 337.511 4.418 20 30 EIEDRO N#CC1(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCCCC1 ZINC001182929678 1051755585 /nfs/dbraw/zinc/75/55/85/1051755585.db2.gz GKKALVCTSXSINH-PZJWPPBQSA-N 1 0 337.511 4.418 20 30 EIEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCCC[C@H]1c1ccc(C)c(C)c1 ZINC001183045103 1051768547 /nfs/dbraw/zinc/76/85/47/1051768547.db2.gz UHLFWWKVBLKQHJ-FQEVSTJZSA-N 1 0 326.484 4.009 20 30 EIEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]CC#Cc1ccc(F)cc1 ZINC001192603909 1051776007 /nfs/dbraw/zinc/77/60/07/1051776007.db2.gz ITPJJTUKVKXGDA-FQEVSTJZSA-N 1 0 343.417 4.400 20 30 EIEDRO C#CCC[N@@H+](CCOC)Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC001183053744 1051779317 /nfs/dbraw/zinc/77/93/17/1051779317.db2.gz QDTDFFQPHZMBLB-UHFFFAOYSA-N 1 0 327.855 4.479 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@H](O)c1ccc(F)cc1Cl ZINC000774593040 1051795096 /nfs/dbraw/zinc/79/50/96/1051795096.db2.gz WQJJKUZDSWTMMR-INIZCTEOSA-N 1 0 325.836 4.262 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774573621 1051795397 /nfs/dbraw/zinc/79/53/97/1051795397.db2.gz APSHBEUNCZSOOQ-LJQANCHMSA-N 1 0 328.843 4.156 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCS(=O)(=O)C1CCCCC1)c1ccccc1 ZINC001192720033 1051804934 /nfs/dbraw/zinc/80/49/34/1051804934.db2.gz RQTDWMAQWPCLHA-LJQANCHMSA-N 1 0 335.513 4.031 20 30 EIEDRO COc1cccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1Cl ZINC001175896348 1051819069 /nfs/dbraw/zinc/81/90/69/1051819069.db2.gz PMELALPQMDIJMQ-UHFFFAOYSA-N 1 0 333.844 4.013 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1 ZINC001175897956 1051821962 /nfs/dbraw/zinc/82/19/62/1051821962.db2.gz HKABZGQXRZVAGJ-GFCCVEGCSA-N 1 0 338.760 4.456 20 30 EIEDRO CC[C@H]1CCCC[C@H]1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001183378860 1051839667 /nfs/dbraw/zinc/83/96/67/1051839667.db2.gz GUVGWUAZTQKXQY-IRXDYDNUSA-N 1 0 329.463 4.036 20 30 EIEDRO C=CC(C)(C)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001183674672 1051880827 /nfs/dbraw/zinc/88/08/27/1051880827.db2.gz YFGJNLCXHJJIBF-ULQDDVLXSA-N 1 0 336.520 4.356 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(-c4ccccn4)cc3)sc2C1 ZINC001176037310 1051881394 /nfs/dbraw/zinc/88/13/94/1051881394.db2.gz PUBMPJRSTQUXNE-UHFFFAOYSA-N 1 0 346.459 4.413 20 30 EIEDRO C#CC[C@@H]1CC[N@@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC001176071734 1051886712 /nfs/dbraw/zinc/88/67/12/1051886712.db2.gz ZIDJEPMMHHDUBV-GFCCVEGCSA-N 1 0 335.234 4.494 20 30 EIEDRO C=C1CCC(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)CC1 ZINC001183740401 1051893074 /nfs/dbraw/zinc/89/30/74/1051893074.db2.gz NXUOEARZHSVPAC-BZUAXINKSA-N 1 0 347.421 4.233 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)c1cccc(C#N)c1 ZINC001176052490 1051896262 /nfs/dbraw/zinc/89/62/62/1051896262.db2.gz OFLWNNCYJLXBFA-MRXNPFEDSA-N 1 0 343.430 4.391 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000184373189 1051929721 /nfs/dbraw/zinc/92/97/21/1051929721.db2.gz HKSATQHXIYYVOR-CYBMUJFWSA-N 1 0 335.432 4.062 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2cc(F)cc(OCc3ccccc3)c2)C1 ZINC001184023930 1051938156 /nfs/dbraw/zinc/93/81/56/1051938156.db2.gz SHFBUAYFDBLHHM-AZUAARDMSA-N 1 0 338.426 4.229 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2ccc(Cl)c(F)c2C#N)cc1 ZINC001176232284 1051966610 /nfs/dbraw/zinc/96/66/10/1051966610.db2.gz VXMJESYNBQACKC-UHFFFAOYSA-N 1 0 333.794 4.035 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2cccc(C(F)(F)F)c2C#N)cc1 ZINC001176229468 1051967236 /nfs/dbraw/zinc/96/72/36/1051967236.db2.gz VNBTZFLNVGJOOO-UHFFFAOYSA-N 1 0 349.356 4.261 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2ccc(OC(F)(F)F)cc2C#N)cc1 ZINC001176295701 1051980533 /nfs/dbraw/zinc/98/05/33/1051980533.db2.gz MBYUFKLNWMNPIN-UHFFFAOYSA-N 1 0 335.329 4.262 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000158851199 1052015902 /nfs/dbraw/zinc/01/59/02/1052015902.db2.gz WPRCYRPFVIGIRL-QGZVFWFLSA-N 1 0 326.396 4.401 20 30 EIEDRO CCCCCCCOC(=O)NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001194019720 1052050314 /nfs/dbraw/zinc/05/03/14/1052050314.db2.gz SLFZYDAPCLZLCS-UHFFFAOYSA-N 1 0 348.487 4.053 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CC(C)(C)OC1(C)C ZINC001194270586 1052122601 /nfs/dbraw/zinc/12/26/01/1052122601.db2.gz ZQCPUOMMQRLGIW-GOSISDBHSA-N 1 0 333.520 4.436 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc(C#N)c3ccsc32)C1 ZINC001184927987 1052131919 /nfs/dbraw/zinc/13/19/19/1052131919.db2.gz SHDOBPULHWTULQ-IJEWVQPXSA-N 1 0 340.496 4.010 20 30 EIEDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001176665113 1052158122 /nfs/dbraw/zinc/15/81/22/1052158122.db2.gz SOPXYOQFBVMXII-GOSISDBHSA-N 1 0 341.436 4.125 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2)c(F)c1 ZINC001194497839 1052159734 /nfs/dbraw/zinc/15/97/34/1052159734.db2.gz ULRWNLXPIUTJCD-MOPGFXCFSA-N 1 0 327.399 4.441 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC001194497702 1052160442 /nfs/dbraw/zinc/16/04/42/1052160442.db2.gz OKDDCXOFADRBOL-CVEARBPZSA-N 1 0 343.389 4.188 20 30 EIEDRO Cc1c(Cl)cnc(NC2CC[NH+](CC3CCCCC3)CC2)c1C#N ZINC001185148613 1052191361 /nfs/dbraw/zinc/19/13/61/1052191361.db2.gz FTVURHJESCMWOT-UHFFFAOYSA-N 1 0 346.906 4.372 20 30 EIEDRO C=CCC[C@@H]1CCC[N@H+]1CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176767288 1052192534 /nfs/dbraw/zinc/19/25/34/1052192534.db2.gz DLZXMSNDKLTVRW-GOSISDBHSA-N 1 0 336.520 4.454 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCOC23CCCCC3)cc1 ZINC001176760640 1052193044 /nfs/dbraw/zinc/19/30/44/1052193044.db2.gz CMCPIJZWKKDZIC-QGZVFWFLSA-N 1 0 337.385 4.138 20 30 EIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000774885519 1052246146 /nfs/dbraw/zinc/24/61/46/1052246146.db2.gz WYKQCSBVVDBCQG-AWEZNQCLSA-N 1 0 346.377 4.279 20 30 EIEDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072584188 1052459236 /nfs/dbraw/zinc/45/92/36/1052459236.db2.gz LLCJUKJAFOQUIU-OAHLLOKOSA-N 1 0 345.512 4.141 20 30 EIEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000671255467 1052532043 /nfs/dbraw/zinc/53/20/43/1052532043.db2.gz PCNHYPPNGGCILO-ZDUSSCGKSA-N 1 0 341.295 4.093 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)cc1 ZINC000072670478 1052558849 /nfs/dbraw/zinc/55/88/49/1052558849.db2.gz RCZVGDJABQYWMN-QGZVFWFLSA-N 1 0 333.435 4.288 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000174425097 1052566391 /nfs/dbraw/zinc/56/63/91/1052566391.db2.gz NGASJRHUDOKGLI-UHFFFAOYSA-N 1 0 335.289 4.400 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1OC ZINC000623551852 1052678340 /nfs/dbraw/zinc/67/83/40/1052678340.db2.gz KUVUGQRXIGOOIL-UKRRQHHQSA-N 1 0 333.815 4.152 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000073051934 1052684820 /nfs/dbraw/zinc/68/48/20/1052684820.db2.gz AFRQCHMXMZKGDB-QGZVFWFLSA-N 1 0 327.424 4.164 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000180038427 1052774711 /nfs/dbraw/zinc/77/47/11/1052774711.db2.gz DBFOXJRDINQIFU-QGZVFWFLSA-N 1 0 330.378 4.200 20 30 EIEDRO N#CCSCCC[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000180327832 1052794822 /nfs/dbraw/zinc/79/48/22/1052794822.db2.gz NNWIGCNXLXXQLZ-SFHVURJKSA-N 1 0 344.455 4.182 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000623889325 1052833594 /nfs/dbraw/zinc/83/35/94/1052833594.db2.gz KNBKROAFKCZXRI-GFCCVEGCSA-N 1 0 330.369 4.146 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC001168531877 1053094566 /nfs/dbraw/zinc/09/45/66/1053094566.db2.gz UAPJCUGQOVUXON-HXUWFJFHSA-N 1 0 349.478 4.233 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001194900558 1053151617 /nfs/dbraw/zinc/15/16/17/1053151617.db2.gz YDMZXPXFLXALOQ-IAGOWNOFSA-N 1 0 326.525 4.440 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000850413979 1053187221 /nfs/dbraw/zinc/18/72/21/1053187221.db2.gz WIGIZJSGCGKKDM-RTBURBONSA-N 1 0 328.843 4.059 20 30 EIEDRO CC(C)C[C@H]([NH2+]CCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000339066454 1053228761 /nfs/dbraw/zinc/22/87/61/1053228761.db2.gz CZGCAFRHEVCKFW-INIZCTEOSA-N 1 0 328.378 4.312 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000850480678 1053251494 /nfs/dbraw/zinc/25/14/94/1053251494.db2.gz BNOYVEXZHBPAPK-FCEWJHQRSA-N 1 0 328.456 4.429 20 30 EIEDRO CCC[NH+]1CCC(Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 ZINC000764645863 1053252373 /nfs/dbraw/zinc/25/23/73/1053252373.db2.gz LVSJOQQDNFVAHO-UHFFFAOYSA-N 1 0 349.478 4.424 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000764770355 1053303199 /nfs/dbraw/zinc/30/31/99/1053303199.db2.gz APGSDSJUUKEWKI-AUUYWEPGSA-N 1 0 349.833 4.341 20 30 EIEDRO C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]CC1(C#N)CCCCC1 ZINC000850550245 1053306609 /nfs/dbraw/zinc/30/66/09/1053306609.db2.gz OPFBCFXIPZSWKB-INIZCTEOSA-N 1 0 337.508 4.134 20 30 EIEDRO CC(C)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000850572849 1053327522 /nfs/dbraw/zinc/32/75/22/1053327522.db2.gz HBIQSDYVWCTYCJ-QGLXBCBXSA-N 1 0 334.891 4.460 20 30 EIEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001195277094 1053356258 /nfs/dbraw/zinc/35/62/58/1053356258.db2.gz DUYUGURMEQWQHA-NVXWUHKLSA-N 1 0 347.890 4.297 20 30 EIEDRO C[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)[C@@H]1C(=O)OC(C)(C)C ZINC001195349816 1053381906 /nfs/dbraw/zinc/38/19/06/1053381906.db2.gz DPNRCIWNBHBBEL-SJORKVTESA-N 1 0 334.504 4.293 20 30 EIEDRO N#CCC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000775654972 1053393823 /nfs/dbraw/zinc/39/38/23/1053393823.db2.gz KLNFFAVDZRCUAT-MSOLQXFVSA-N 1 0 332.806 4.147 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccccc1 ZINC000794815712 1053425104 /nfs/dbraw/zinc/42/51/04/1053425104.db2.gz KYUHYHAOIFDXCT-DYVFJYSZSA-N 1 0 329.241 4.259 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C[C@H]3CCC[C@H](C(F)(F)F)O3)CCC2)cc1 ZINC001195557608 1053427299 /nfs/dbraw/zinc/42/72/99/1053427299.db2.gz HYRYKEXNDGOFIH-HZPDHXFCSA-N 1 0 338.373 4.027 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)OC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000851204468 1053436802 /nfs/dbraw/zinc/43/68/02/1053436802.db2.gz ADTAGZMXJLDIQJ-INIZCTEOSA-N 1 0 328.456 4.158 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1F ZINC001195622898 1053439268 /nfs/dbraw/zinc/43/92/68/1053439268.db2.gz RSIZVADJWXEPIB-QGZVFWFLSA-N 1 0 345.805 4.030 20 30 EIEDRO Cc1ccc(C[NH2+]C2(CC(=O)OC(C)(C)C)CCCCC2)cc1C#N ZINC001195569364 1053439319 /nfs/dbraw/zinc/43/93/19/1053439319.db2.gz XVAVYTWNUXXSMQ-UHFFFAOYSA-N 1 0 342.483 4.391 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCn2ccnc2C)cc1 ZINC000765144082 1053453098 /nfs/dbraw/zinc/45/30/98/1053453098.db2.gz RLVCCFANQFBLQJ-HNNXBMFYSA-N 1 0 333.863 4.064 20 30 EIEDRO Fc1ccc(C#CC[NH+]2CCC3(CCc4ccccc4C3)CC2)cc1 ZINC001195767318 1053475332 /nfs/dbraw/zinc/47/53/32/1053475332.db2.gz JYCMWPDSOXAHIZ-UHFFFAOYSA-N 1 0 333.450 4.448 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCCn2ccnc2)cc1 ZINC000765259140 1053479803 /nfs/dbraw/zinc/47/98/03/1053479803.db2.gz NTBRDOHXRVUFHM-INIZCTEOSA-N 1 0 333.863 4.145 20 30 EIEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC001195851443 1053494695 /nfs/dbraw/zinc/49/46/95/1053494695.db2.gz JUJDMKUDNAZHTH-HNNXBMFYSA-N 1 0 326.465 4.179 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC001202483008 1053508613 /nfs/dbraw/zinc/50/86/13/1053508613.db2.gz CNCIXIKHJVIKRC-RTWAWAEBSA-N 1 0 339.435 4.311 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2csc(C)c2C)ccc1OC ZINC000865460328 1053514980 /nfs/dbraw/zinc/51/49/80/1053514980.db2.gz KJRANXWSPYYCJN-KRWDZBQOSA-N 1 0 344.480 4.344 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000765390113 1053531535 /nfs/dbraw/zinc/53/15/35/1053531535.db2.gz AGVZJOXVRGMKPR-QRWLVFNGSA-N 1 0 339.410 4.402 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C3CCC3)CC2)cc1Cl ZINC001195947346 1053545215 /nfs/dbraw/zinc/54/52/15/1053545215.db2.gz SOLZKQANAQRNAR-UHFFFAOYSA-N 1 0 345.874 4.052 20 30 EIEDRO C[C@@H](CCC#N)[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852296628 1053565844 /nfs/dbraw/zinc/56/58/44/1053565844.db2.gz ORBZSNMFPYWHLR-FUHWJXTLSA-N 1 0 349.519 4.038 20 30 EIEDRO C[C@H](CCC#N)[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852296627 1053566193 /nfs/dbraw/zinc/56/61/93/1053566193.db2.gz ORBZSNMFPYWHLR-AEFFLSMTSA-N 1 0 349.519 4.038 20 30 EIEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300424 1053566334 /nfs/dbraw/zinc/56/63/34/1053566334.db2.gz HXDSBDRTZVTOQL-AEFFLSMTSA-N 1 0 349.519 4.038 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000776587361 1053567817 /nfs/dbraw/zinc/56/78/17/1053567817.db2.gz MSZZVWHOQBXKPY-DLBZAZTESA-N 1 0 349.519 4.180 20 30 EIEDRO C=CC[N@H+](Cc1cc(Cl)cc(Br)c1)[C@@H](C)COC ZINC001196048077 1053571576 /nfs/dbraw/zinc/57/15/76/1053571576.db2.gz MOVIVRWWCHOMMH-NSHDSACASA-N 1 0 332.669 4.125 20 30 EIEDRO CSc1ccc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)s1 ZINC000865695845 1053574753 /nfs/dbraw/zinc/57/47/53/1053574753.db2.gz QPLAVMHCJQAJFP-UHFFFAOYSA-N 1 0 343.521 4.100 20 30 EIEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000173227228 1053579314 /nfs/dbraw/zinc/57/93/14/1053579314.db2.gz GFXWCTDKZQHLHV-NJSLBKSFSA-N 1 0 349.434 4.080 20 30 EIEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000173227217 1053579493 /nfs/dbraw/zinc/57/94/93/1053579493.db2.gz GFXWCTDKZQHLHV-CKFHNAJUSA-N 1 0 349.434 4.080 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865821142 1053600169 /nfs/dbraw/zinc/60/01/69/1053600169.db2.gz ULZFMUMPAHTDLR-FVWXCPNNSA-N 1 0 349.519 4.084 20 30 EIEDRO C=CCN(CC(=O)Nc1nc(-c2ccc(C)cc2)cs1)C(C)(C)C ZINC001196198418 1053609285 /nfs/dbraw/zinc/60/92/85/1053609285.db2.gz LHHONCYGNAJTMO-UHFFFAOYSA-N 1 0 343.496 4.344 20 30 EIEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CCOCCC#N)C1CC1 ZINC000338952880 1053611191 /nfs/dbraw/zinc/61/11/91/1053611191.db2.gz GZUPQJCSQIOGKS-CYBMUJFWSA-N 1 0 326.362 4.161 20 30 EIEDRO Fc1ccc(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)nc1 ZINC001196264791 1053622387 /nfs/dbraw/zinc/62/23/87/1053622387.db2.gz ZNQNKIFAVQCBGM-UHFFFAOYSA-N 1 0 328.818 4.105 20 30 EIEDRO Cc1cncc(CN(Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)n1 ZINC001203175249 1053652858 /nfs/dbraw/zinc/65/28/58/1053652858.db2.gz LUKSLIJOESOCRL-SFHVURJKSA-N 1 0 342.446 4.420 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](CCSCc3ccccc3)CC2)nc1 ZINC001196420239 1053669965 /nfs/dbraw/zinc/66/99/65/1053669965.db2.gz QWKQPAPQVGQZKB-UHFFFAOYSA-N 1 0 337.492 4.066 20 30 EIEDRO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000866294469 1053681185 /nfs/dbraw/zinc/68/11/85/1053681185.db2.gz ITUBVZMBUNTLHR-MRXNPFEDSA-N 1 0 333.435 4.181 20 30 EIEDRO CC(C)c1ccccc1OCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000111407570 1053686701 /nfs/dbraw/zinc/68/67/01/1053686701.db2.gz MWVDULZVHGPKIB-QGZVFWFLSA-N 1 0 338.451 4.269 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CC)CCc1ccc(Br)cc1 ZINC001205780283 1053705980 /nfs/dbraw/zinc/70/59/80/1053705980.db2.gz HLLZCDVWPFGERM-IRXDYDNUSA-N 1 0 340.305 4.077 20 30 EIEDRO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001196622931 1053716260 /nfs/dbraw/zinc/71/62/60/1053716260.db2.gz MSECFXZPZGYMLI-CQSZACIVSA-N 1 0 342.389 4.473 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000775734678 1053720102 /nfs/dbraw/zinc/72/01/02/1053720102.db2.gz WCDMWUMNIJFVGP-QGZVFWFLSA-N 1 0 335.536 4.075 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000866448660 1053732628 /nfs/dbraw/zinc/73/26/28/1053732628.db2.gz ITXYJZLDIHZVGQ-QFIPXVFZSA-N 1 0 346.478 4.053 20 30 EIEDRO CC(C)C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccn1 ZINC000866448667 1053732914 /nfs/dbraw/zinc/73/29/14/1053732914.db2.gz JBBDECCBDZQKLO-NRFANRHFSA-N 1 0 348.494 4.299 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccn1 ZINC000866448804 1053734427 /nfs/dbraw/zinc/73/44/27/1053734427.db2.gz MKXIJZMDXXHKNR-HXUWFJFHSA-N 1 0 334.467 4.053 20 30 EIEDRO C#Cc1cccc(NC(=O)N[C@H](CC[NH+](CC)CC)c2ccccc2)c1 ZINC001196687587 1053735424 /nfs/dbraw/zinc/73/54/24/1053735424.db2.gz WMLGTMWLQIRFCI-OAQYLSRUSA-N 1 0 349.478 4.263 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000921539164 1053742803 /nfs/dbraw/zinc/74/28/03/1053742803.db2.gz CCYZFGJJACPIBC-UHFFFAOYSA-N 1 0 348.494 4.240 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866581631 1053794304 /nfs/dbraw/zinc/79/43/04/1053794304.db2.gz JMUKVDCDQNQFMK-AWEZNQCLSA-N 1 0 336.439 4.149 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776747081 1053825556 /nfs/dbraw/zinc/82/55/56/1053825556.db2.gz XJGAAYOMFPGXFH-KSSFIOAISA-N 1 0 337.398 4.229 20 30 EIEDRO Cc1nc(C[N@H+](C)CCc2cccc(C#N)c2)sc1C(C)(C)C ZINC001197115012 1053840332 /nfs/dbraw/zinc/84/03/32/1053840332.db2.gz JRBSRXKCDRIXRU-UHFFFAOYSA-N 1 0 327.497 4.295 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 ZINC001197177080 1053847517 /nfs/dbraw/zinc/84/75/17/1053847517.db2.gz KNSCKLHQLLCVFW-VABKMULXSA-N 1 0 346.474 4.351 20 30 EIEDRO CCCCCCCCCCCCNC(=S)N1CC[C@](C)([NH3+])C1 ZINC001239402242 1053856510 /nfs/dbraw/zinc/85/65/10/1053856510.db2.gz NCWHEVPNUZLJLL-SFHVURJKSA-N 1 0 327.582 4.205 20 30 EIEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+]C(C1CCCCC1)C1CCCCC1 ZINC001197264357 1053865227 /nfs/dbraw/zinc/86/52/27/1053865227.db2.gz MDNQYVXGVJMMJL-KRWDZBQOSA-N 1 0 347.547 4.113 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868159732 1053878628 /nfs/dbraw/zinc/87/86/28/1053878628.db2.gz USIBEGXHQSFNOT-HXUWFJFHSA-N 1 0 329.488 4.034 20 30 EIEDRO C=CCCC[C@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccccc1 ZINC001197368382 1053896882 /nfs/dbraw/zinc/89/68/82/1053896882.db2.gz HARHNVUHKQWYNZ-FQEVSTJZSA-N 1 0 347.462 4.084 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccc(Cl)c2)ccc1OC ZINC000113347861 1053924199 /nfs/dbraw/zinc/92/41/99/1053924199.db2.gz UZZCLBBWZXYXOI-KRWDZBQOSA-N 1 0 344.842 4.319 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C)c(C)c2)ccc1OC ZINC000113348051 1053924556 /nfs/dbraw/zinc/92/45/56/1053924556.db2.gz IBVCRDAVTNIMKR-IBGZPJMESA-N 1 0 338.451 4.283 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000113328164 1053924999 /nfs/dbraw/zinc/92/49/99/1053924999.db2.gz GLAOIMLWHFTHKO-GMAHTHKFSA-N 1 0 349.474 4.346 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(Cl)cc2)ccc1OC ZINC000113348155 1053925174 /nfs/dbraw/zinc/92/51/74/1053925174.db2.gz DVYFUZCIOUTCJG-KRWDZBQOSA-N 1 0 344.842 4.319 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000776816166 1053944698 /nfs/dbraw/zinc/94/46/98/1053944698.db2.gz NROBLTBKJSYQKB-QGZVFWFLSA-N 1 0 333.353 4.134 20 30 EIEDRO CCC(CC)CN(CCC#N)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338534035 1053958054 /nfs/dbraw/zinc/95/80/54/1053958054.db2.gz BWKWDKFPTYBDOQ-UHFFFAOYSA-N 1 0 341.499 4.074 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1 ZINC000113952438 1054027851 /nfs/dbraw/zinc/02/78/51/1054027851.db2.gz FKAYIKFJGOMGMG-BBRMVZONSA-N 1 0 330.378 4.497 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)cc1 ZINC000113961557 1054034182 /nfs/dbraw/zinc/03/41/82/1054034182.db2.gz ZVZWEERVQOXMRZ-LJQANCHMSA-N 1 0 336.435 4.222 20 30 EIEDRO C[C@H]1c2cccc(Br)c2CC[N@H+]1CCCSCC#N ZINC000509490434 1054043187 /nfs/dbraw/zinc/04/31/87/1054043187.db2.gz YYTJUACFBRVCMD-LBPRGKRZSA-N 1 0 339.302 4.015 20 30 EIEDRO N#CCCOCC[N@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000339098121 1054061270 /nfs/dbraw/zinc/06/12/70/1054061270.db2.gz ZFISLDPAXHVDJQ-INIZCTEOSA-N 1 0 326.362 4.163 20 30 EIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC001198414534 1054139033 /nfs/dbraw/zinc/13/90/33/1054139033.db2.gz VWHZRJNVZJQRSZ-INIZCTEOSA-N 1 0 344.480 4.455 20 30 EIEDRO Cc1cccc(C2=CC[N@H+](CCOc3ccccc3C#N)CC2)c1C ZINC001198563403 1054185617 /nfs/dbraw/zinc/18/56/17/1054185617.db2.gz LHUJSEPLCNVPCW-UHFFFAOYSA-N 1 0 332.447 4.343 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCc2ccc(Cl)cc2)cc1 ZINC000123620409 1054211919 /nfs/dbraw/zinc/21/19/19/1054211919.db2.gz IKUBFIRLDVWZDY-HNNXBMFYSA-N 1 0 328.843 4.305 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CO[C@@H]2CCC[C@H](C)C2)c1 ZINC001626055565 1054213937 /nfs/dbraw/zinc/21/39/37/1054213937.db2.gz IRSDCRTWHWNCJA-OXJNMPFZSA-N 1 0 344.499 4.228 20 30 EIEDRO C[C@H]1CC[C@@](CO)([NH2+]CCCCC2(C#N)CCC2)c2ccccc21 ZINC001198696717 1054228026 /nfs/dbraw/zinc/22/80/26/1054228026.db2.gz VWMBUFSDWBESAH-UWJYYQICSA-N 1 0 326.484 4.225 20 30 EIEDRO C=C(CC)C[NH+]1CCC(OCc2ccc(Br)cc2)CC1 ZINC001198778983 1054264546 /nfs/dbraw/zinc/26/45/46/1054264546.db2.gz JDABAKXAVVVMFV-UHFFFAOYSA-N 1 0 338.289 4.396 20 30 EIEDRO CCN(CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC001199038194 1054329700 /nfs/dbraw/zinc/32/97/00/1054329700.db2.gz KIYSOEXTELQQRU-UHFFFAOYSA-N 1 0 335.495 4.494 20 30 EIEDRO N#Cc1cc(C[NH2+]CCc2csc(-c3ccccc3)n2)cs1 ZINC001199027556 1054337054 /nfs/dbraw/zinc/33/70/54/1054337054.db2.gz HCFWJSAKVUQKMR-UHFFFAOYSA-N 1 0 325.462 4.076 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cccc(NC(=O)c3ccco3)c2)ccc1C#N ZINC001199229031 1054371102 /nfs/dbraw/zinc/37/11/02/1054371102.db2.gz YOVPUBJBRHOIHH-UHFFFAOYSA-N 1 0 345.402 4.002 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024020 1054403655 /nfs/dbraw/zinc/40/36/55/1054403655.db2.gz SYYUZMZUKUGYTQ-IIBYNOLFSA-N 1 0 347.462 4.435 20 30 EIEDRO N#CC1(CC[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)CCCCC1 ZINC000858052726 1054410719 /nfs/dbraw/zinc/41/07/19/1054410719.db2.gz ZNJSMSCNAASBLL-IBGZPJMESA-N 1 0 339.483 4.276 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000872139255 1054412330 /nfs/dbraw/zinc/41/23/30/1054412330.db2.gz AOOHGCLKSOBPAA-BQFCYCMXSA-N 1 0 327.472 4.059 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@H](SC)C2)cc1OC ZINC000858147425 1054424917 /nfs/dbraw/zinc/42/49/17/1054424917.db2.gz OSTRCPQEMKPUKI-KGLIPLIRSA-N 1 0 341.904 4.287 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)cc1 ZINC000858214903 1054440622 /nfs/dbraw/zinc/44/06/22/1054440622.db2.gz WCNYKLHNGDSGGH-KFTCGEBBSA-N 1 0 338.838 4.059 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776012672 1054445501 /nfs/dbraw/zinc/44/55/01/1054445501.db2.gz INULANRJXJZZKO-WWGRRREGSA-N 1 0 326.362 4.140 20 30 EIEDRO CCCCC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)C(C)(C)C ZINC000776023011 1054463567 /nfs/dbraw/zinc/46/35/67/1054463567.db2.gz IFXVATAUGMFJJA-MRXNPFEDSA-N 1 0 333.476 4.291 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)c2)cc1 ZINC000873164997 1054497171 /nfs/dbraw/zinc/49/71/71/1054497171.db2.gz OTZNYECWPAYVOH-INIZCTEOSA-N 1 0 338.451 4.445 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)cc1 ZINC000124429334 1054501116 /nfs/dbraw/zinc/50/11/16/1054501116.db2.gz NNWBJPIGDRTBHS-AWEZNQCLSA-N 1 0 326.827 4.410 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1OC ZINC000873183831 1054504850 /nfs/dbraw/zinc/50/48/50/1054504850.db2.gz LPIQMXIMNGXDGN-AWEZNQCLSA-N 1 0 342.395 4.019 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc3ccccc3o2)cc(OC)c1OC ZINC000105478209 1054525021 /nfs/dbraw/zinc/52/50/21/1054525021.db2.gz ABPIIDKWXHLUEX-UHFFFAOYSA-N 1 0 337.419 4.468 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCCC1 ZINC000108359501 1054773828 /nfs/dbraw/zinc/77/38/28/1054773828.db2.gz BBSQXOWGERZCHV-HNNXBMFYSA-N 1 0 345.512 4.141 20 30 EIEDRO C#CCCCC[NH2+]Cc1cc2c(C)nn(C(C)(C)C)c2nc1Cl ZINC001201406941 1054777896 /nfs/dbraw/zinc/77/78/96/1054777896.db2.gz GDSUGTUNQGYYLO-UHFFFAOYSA-N 1 0 332.879 4.041 20 30 EIEDRO COc1ccccc1C(C)(C)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000776160144 1054781800 /nfs/dbraw/zinc/78/18/00/1054781800.db2.gz LUTFTFOJHJMOLI-MRXNPFEDSA-N 1 0 338.451 4.226 20 30 EIEDRO C=CCOC(=O)N1CCCC2(CC[NH+](CC3CCCCC3)CC2)C1 ZINC001201390904 1054788695 /nfs/dbraw/zinc/78/86/95/1054788695.db2.gz SJYCZPAGGMKTRS-UHFFFAOYSA-N 1 0 334.504 4.067 20 30 EIEDRO CN(C)c1ccncc1C=[NH+]N(Cc1ccccc1)c1ccccc1 ZINC000776183351 1054789895 /nfs/dbraw/zinc/78/98/95/1054789895.db2.gz LJWNBVHWBPTZNE-UHFFFAOYSA-N 1 0 330.435 4.188 20 30 EIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Oc1cccc(C)c1 ZINC000776167560 1054799298 /nfs/dbraw/zinc/79/92/98/1054799298.db2.gz FWPLPDVFPWJXOS-MJGOQNOKSA-N 1 0 338.451 4.406 20 30 EIEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CCC=C(C)C)CC2 ZINC001201487547 1054815668 /nfs/dbraw/zinc/81/56/68/1054815668.db2.gz SQBRRVNMBVWPHU-SFHVURJKSA-N 1 0 334.504 4.089 20 30 EIEDRO COc1cccc(CC[NH+]2CCCC2)c1Nc1ccc(C#N)cc1F ZINC001201569684 1054852157 /nfs/dbraw/zinc/85/21/57/1054852157.db2.gz MTKKNSLLXQWVQX-UHFFFAOYSA-N 1 0 339.414 4.088 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCc1ccccc1)[C@@H]2CC ZINC001201661400 1054878981 /nfs/dbraw/zinc/87/89/81/1054878981.db2.gz PUUVMTZHUPJYLI-IRLDBZIGSA-N 1 0 340.511 4.041 20 30 EIEDRO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCOCCC#N)C1 ZINC000339021605 1054881090 /nfs/dbraw/zinc/88/10/90/1054881090.db2.gz BZBAVQMTDAGQOW-XJKSGUPXSA-N 1 0 326.362 4.019 20 30 EIEDRO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCOCCC#N)C1 ZINC000339021587 1054881679 /nfs/dbraw/zinc/88/16/79/1054881679.db2.gz BZBAVQMTDAGQOW-BBRMVZONSA-N 1 0 326.362 4.019 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001201762912 1054902450 /nfs/dbraw/zinc/90/24/50/1054902450.db2.gz ZFFXSLCVHYSPOY-NRFANRHFSA-N 1 0 343.515 4.009 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001201814677 1054912362 /nfs/dbraw/zinc/91/23/62/1054912362.db2.gz ROKUMROCPLPVBI-FQEVSTJZSA-N 1 0 342.527 4.343 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001201815223 1054913930 /nfs/dbraw/zinc/91/39/30/1054913930.db2.gz ZYZNSPKOZQUVDO-PMACEKPBSA-N 1 0 332.488 4.054 20 30 EIEDRO CCCCCCCCN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001201815193 1054915113 /nfs/dbraw/zinc/91/51/13/1054915113.db2.gz YRTYGQSEQJHWFY-GOSISDBHSA-N 1 0 334.552 4.460 20 30 EIEDRO CCCCCCC[N@@H+]1CCO[C@H]2[C@H]1CC[C@H]2COCc1cccnc1 ZINC001201776867 1054919079 /nfs/dbraw/zinc/91/90/79/1054919079.db2.gz OJNQMVDOPWUIMN-PWRODBHTSA-N 1 0 346.515 4.048 20 30 EIEDRO CCCCCCC[NH+]1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC001201788080 1054920031 /nfs/dbraw/zinc/92/00/31/1054920031.db2.gz WNJSFQQPVFCIND-UHFFFAOYSA-N 1 0 329.488 4.469 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)C(=O)N[C@H]2c1ccccc1 ZINC001201826318 1054925863 /nfs/dbraw/zinc/92/58/63/1054925863.db2.gz RRQMIHIUXISYEH-IBGZPJMESA-N 1 0 328.500 4.300 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)c1cccc(F)c1NC2=O ZINC001201826054 1054926004 /nfs/dbraw/zinc/92/60/04/1054926004.db2.gz LGLMISWFXIZLPE-UHFFFAOYSA-N 1 0 332.463 4.472 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001201840454 1054933742 /nfs/dbraw/zinc/93/37/42/1054933742.db2.gz WQMAOZYSWYXELJ-SFHVURJKSA-N 1 0 329.488 4.469 20 30 EIEDRO CC(C)[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)Nc1ccccc1 ZINC000118449336 1054979524 /nfs/dbraw/zinc/97/95/24/1054979524.db2.gz KIUBDTOBNYHWEB-UTKZUKDTSA-N 1 0 337.467 4.204 20 30 EIEDRO C[C@@H]1C[C@@H](Nc2ccc(OCc3cccc(C#N)c3)cc2)CC[N@@H+]1C ZINC000877170170 1055030694 /nfs/dbraw/zinc/03/06/94/1055030694.db2.gz JFTGDACPNUPTKJ-UZLBHIALSA-N 1 0 335.451 4.032 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380362 1055059883 /nfs/dbraw/zinc/05/98/83/1055059883.db2.gz UYNWFQMTLQWPRI-DCAQKATOSA-N 1 0 331.769 4.487 20 30 EIEDRO CCCC[N@H+](Cc1ccccc1O)Cc1cc(C#N)cnc1Cl ZINC000877503734 1055067950 /nfs/dbraw/zinc/06/79/50/1055067950.db2.gz VJJCDOPWJZWHAU-UHFFFAOYSA-N 1 0 329.831 4.115 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000877562586 1055081461 /nfs/dbraw/zinc/08/14/61/1055081461.db2.gz XDVNXADFWJMIIO-AAEUAGOBSA-N 1 0 331.769 4.207 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)cc1 ZINC001137122757 1055083751 /nfs/dbraw/zinc/08/37/51/1055083751.db2.gz QSZVOLVCRILZQA-IBGZPJMESA-N 1 0 342.439 4.095 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000877601221 1055087908 /nfs/dbraw/zinc/08/79/08/1055087908.db2.gz XUBVOAUVLCTESA-IAGOWNOFSA-N 1 0 349.519 4.038 20 30 EIEDRO C#CCCCCCC[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000877643679 1055098642 /nfs/dbraw/zinc/09/86/42/1055098642.db2.gz HXKUBMJBCIEPLS-UHFFFAOYSA-N 1 0 341.430 4.033 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)c1 ZINC000877700097 1055109918 /nfs/dbraw/zinc/10/99/18/1055109918.db2.gz CWTLBTJGEONXRS-KOMQPUFPSA-N 1 0 329.856 4.020 20 30 EIEDRO CN(C)c1ccc(C=[NH+][N-]c2nc3ccccc3[nH]2)c(C(F)(F)F)c1 ZINC000794465462 1055125181 /nfs/dbraw/zinc/12/51/81/1055125181.db2.gz USDAVZWKTLGOAX-UHFFFAOYSA-N 1 0 347.344 4.094 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000877898979 1055147462 /nfs/dbraw/zinc/14/74/62/1055147462.db2.gz WYPLAMINJVFIPX-VXKWHMMOSA-N 1 0 332.447 4.264 20 30 EIEDRO C=CCC1([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)CCCCC1 ZINC001202408874 1055159757 /nfs/dbraw/zinc/15/97/57/1055159757.db2.gz TTXDPPFFBQLFKK-UHFFFAOYSA-N 1 0 346.475 4.192 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccc(C)cc1)c1ccccc1 ZINC000877968085 1055164616 /nfs/dbraw/zinc/16/46/16/1055164616.db2.gz IJXNLQRTNMPHKK-AVRDEDQJSA-N 1 0 334.463 4.429 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccccc1C)c1ccccc1 ZINC000877987256 1055169592 /nfs/dbraw/zinc/16/95/92/1055169592.db2.gz CJHHKEKLIHNBPN-PGRDOPGGSA-N 1 0 334.463 4.429 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2nnc(-c3ccccc3O)o2)CCCC1(C)C ZINC000878516095 1055332594 /nfs/dbraw/zinc/33/25/94/1055332594.db2.gz OHPMFSUJZCUNPZ-INIZCTEOSA-N 1 0 327.428 4.009 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCc2ccccc2[C@@H](C)C1)c1ccccc1 ZINC000878807434 1055401219 /nfs/dbraw/zinc/40/12/19/1055401219.db2.gz BJORPAUXSYZRHX-FDDCHVKYSA-N 1 0 346.474 4.089 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000091068161 1055512541 /nfs/dbraw/zinc/51/25/41/1055512541.db2.gz UBSRANIMOLJCAC-UHFFFAOYSA-N 1 0 342.398 4.244 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(OCCCC)c2)CC1 ZINC000106323082 1055691847 /nfs/dbraw/zinc/69/18/47/1055691847.db2.gz HJYHEACATSRBDV-UHFFFAOYSA-N 1 0 345.487 4.028 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000542678655 1055817770 /nfs/dbraw/zinc/81/77/70/1055817770.db2.gz AYEFEIZYPYOTSN-QKMWGZLOSA-N 1 0 342.389 4.407 20 30 EIEDRO N#Cc1cc(F)c(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000301110564 1055896813 /nfs/dbraw/zinc/89/68/13/1055896813.db2.gz MYUNYDORYZUZGG-UHFFFAOYSA-N 1 0 345.368 4.052 20 30 EIEDRO C[NH+](C)[C@H](CNc1c(C#N)cnc2ccc(Cl)cc21)c1ccco1 ZINC000301364825 1055928885 /nfs/dbraw/zinc/92/88/85/1055928885.db2.gz RRQKIXYGPBOQIM-MRXNPFEDSA-N 1 0 340.814 4.068 20 30 EIEDRO N#Cc1ccc2nc(NC[C@H](c3ccco3)[NH+]3CCCCC3)ccc2c1 ZINC000301826424 1055989272 /nfs/dbraw/zinc/98/92/72/1055989272.db2.gz OXXFHIZRXHGRRN-LJQANCHMSA-N 1 0 346.434 4.339 20 30 EIEDRO N#Cc1ccc2nc(NC[C@@H](c3cccs3)[NH+]3CCCC3)ccc2c1 ZINC000301978495 1056005149 /nfs/dbraw/zinc/00/51/49/1056005149.db2.gz ODRFWHPRDCJCAE-SFHVURJKSA-N 1 0 348.475 4.417 20 30 EIEDRO Cc1ccc([C@@H](CNc2ccc3cc(C#N)ccc3n2)[NH+]2CCCC2)o1 ZINC000301988216 1056005780 /nfs/dbraw/zinc/00/57/80/1056005780.db2.gz WATQMRKEJFAOJZ-LJQANCHMSA-N 1 0 346.434 4.257 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000302088228 1056014560 /nfs/dbraw/zinc/01/45/60/1056014560.db2.gz FSJAZJCDTWNHKR-IBGZPJMESA-N 1 0 341.842 4.129 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000302111343 1056019524 /nfs/dbraw/zinc/01/95/24/1056019524.db2.gz POMHURHUFDCUOM-INIZCTEOSA-N 1 0 347.462 4.398 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000302123717 1056020571 /nfs/dbraw/zinc/02/05/71/1056020571.db2.gz VKHXNLDPHHWNIH-QFIPXVFZSA-N 1 0 347.462 4.318 20 30 EIEDRO Cc1ccc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)nc1C#N ZINC000302657981 1056061321 /nfs/dbraw/zinc/06/13/21/1056061321.db2.gz OKCFZWJUVANHGR-QGZVFWFLSA-N 1 0 334.467 4.248 20 30 EIEDRO N#Cc1cccc(C#N)c1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000302880993 1056083478 /nfs/dbraw/zinc/08/34/78/1056083478.db2.gz IRAGSIXNTSNGCY-UHFFFAOYSA-N 1 0 344.462 4.418 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000073870148 1056614514 /nfs/dbraw/zinc/61/45/14/1056614514.db2.gz CZJDEBATLKGJMH-UHFFFAOYSA-N 1 0 328.415 4.427 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000305779900 1056623096 /nfs/dbraw/zinc/62/30/96/1056623096.db2.gz SHRHBBXLZJSURY-KSFYIVLOSA-N 1 0 343.430 4.004 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1F ZINC000305815005 1056625850 /nfs/dbraw/zinc/62/58/50/1056625850.db2.gz LPVVWCKYLOIOBP-BEFAXECRSA-N 1 0 340.442 4.150 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cccc(C#N)c1 ZINC000111041132 1056739144 /nfs/dbraw/zinc/73/91/44/1056739144.db2.gz KIGCQHAPRHKQTB-UHFFFAOYSA-N 1 0 348.425 4.152 20 30 EIEDRO N#Cc1ccccc1-c1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000111052862 1056739561 /nfs/dbraw/zinc/73/95/61/1056739561.db2.gz CNAIDYXRNLOYTH-JOCHJYFZSA-N 1 0 345.490 4.285 20 30 EIEDRO N#Cc1ccc(NCc2ccccc2C[NH+]2CCCC2)cc1Cl ZINC000111106254 1056749156 /nfs/dbraw/zinc/74/91/56/1056749156.db2.gz MGTPZYGKWPGRIC-UHFFFAOYSA-N 1 0 325.843 4.420 20 30 EIEDRO C[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000111217665 1056774445 /nfs/dbraw/zinc/77/44/45/1056774445.db2.gz CWWWJFWKRJUEON-OLZOCXBDSA-N 1 0 325.378 4.109 20 30 EIEDRO CC(C)C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H](O)c1ccc(F)cc1 ZINC000741792317 1058373358 /nfs/dbraw/zinc/37/33/58/1058373358.db2.gz ZHJULYZOXMOWPQ-FQEVSTJZSA-N 1 0 344.405 4.028 20 30 EIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC#N)cc2)C12CCCCC2 ZINC000741803463 1058383830 /nfs/dbraw/zinc/38/38/30/1058383830.db2.gz BZENRNQYTPPMOW-VQTJNVASSA-N 1 0 342.483 4.149 20 30 EIEDRO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(OC)c(C#N)c3)oc21 ZINC000742366412 1058578532 /nfs/dbraw/zinc/57/85/32/1058578532.db2.gz DATZVBQUGGNYFL-CYBMUJFWSA-N 1 0 336.391 4.172 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](C)Sc2ccccc2)cc1 ZINC000742382925 1058582906 /nfs/dbraw/zinc/58/29/06/1058582906.db2.gz NLPFUFBBHJVSIM-KRWDZBQOSA-N 1 0 325.477 4.359 20 30 EIEDRO C#CCCC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000742385142 1058586315 /nfs/dbraw/zinc/58/63/15/1058586315.db2.gz TZUMNGINUKOJOG-UHFFFAOYSA-N 1 0 336.266 4.050 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)cc1C#N ZINC000742370536 1058596719 /nfs/dbraw/zinc/59/67/19/1058596719.db2.gz ZUISXQXNUNBTIV-UHFFFAOYSA-N 1 0 336.435 4.178 20 30 EIEDRO COc1ccc(C[NH2+]CC(C)(C)c2ccc(F)cc2Cl)cc1C#N ZINC000742370625 1058597251 /nfs/dbraw/zinc/59/72/51/1058597251.db2.gz FDVNSULVWYAAKY-UHFFFAOYSA-N 1 0 346.833 4.427 20 30 EIEDRO Cc1cc(C)cc(C[C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000742379393 1058604281 /nfs/dbraw/zinc/60/42/81/1058604281.db2.gz AHVWALAHOOWFBC-IBGZPJMESA-N 1 0 335.495 4.374 20 30 EIEDRO C[C@H]1CC(N=Nc2nc3cc(C(F)(F)F)ccc3s2)CC[N@@H+]1C ZINC000743445372 1058999905 /nfs/dbraw/zinc/99/99/05/1058999905.db2.gz RMFBCMXZWXNJBP-VIFPVBQESA-N 1 0 342.390 4.197 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCCC2)cc1 ZINC000743481613 1059015605 /nfs/dbraw/zinc/01/56/05/1059015605.db2.gz PRQXCZPNWDVWMW-ZWKOTPCHSA-N 1 0 341.499 4.189 20 30 EIEDRO C=CCSCC[NH2+]Cc1c(-c2ccccc2)nc2sccn21 ZINC000745179643 1059769767 /nfs/dbraw/zinc/76/97/67/1059769767.db2.gz QGJARUUJNYGZRJ-UHFFFAOYSA-N 1 0 329.494 4.072 20 30 EIEDRO Oc1cccc(/C=N\Cc2ccc(C[NH+]3CCCCCC3)cc2)c1O ZINC000745625000 1059858952 /nfs/dbraw/zinc/85/89/52/1059858952.db2.gz RVBBWFJWMDDISQ-JCMHNJIXSA-N 1 0 338.451 4.093 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000752264270 1060246740 /nfs/dbraw/zinc/24/67/40/1060246740.db2.gz AJBIPXIELGCFST-GDBMZVCRSA-N 1 0 325.374 4.157 20 30 EIEDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1C#N ZINC000752264872 1060248179 /nfs/dbraw/zinc/24/81/79/1060248179.db2.gz GIDYJOZLXPLLSQ-DOMZBBRYSA-N 1 0 326.362 4.025 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cnn1-c1ccccc1 ZINC000766351511 1060295878 /nfs/dbraw/zinc/29/58/78/1060295878.db2.gz SJFZYWKZXFONJY-JKSUJKDBSA-N 1 0 330.435 4.464 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000766489103 1060379780 /nfs/dbraw/zinc/37/97/80/1060379780.db2.gz RMTUKBLOAIBGOB-LPHOPBHVSA-N 1 0 345.870 4.245 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC000766489105 1060380742 /nfs/dbraw/zinc/38/07/42/1060380742.db2.gz RMTUKBLOAIBGOB-VQIMIIECSA-N 1 0 345.870 4.245 20 30 EIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCC(=O)Nc2ccccc2)cc1 ZINC001168982603 1060552870 /nfs/dbraw/zinc/55/28/70/1060552870.db2.gz GTFKBFJORNYQPE-OAQYLSRUSA-N 1 0 349.478 4.450 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(c1ccccc1)c1ccccc1 ZINC001169104166 1060640129 /nfs/dbraw/zinc/64/01/29/1060640129.db2.gz ZTRQGZUJNWGSJB-RXVVDRJESA-N 1 0 348.490 4.241 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCc2ccnc(OC)c2)cc1 ZINC001169224896 1060702515 /nfs/dbraw/zinc/70/25/15/1060702515.db2.gz KGZJAPICHVCHKT-HXUWFJFHSA-N 1 0 337.467 4.068 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]2CCC(C)C)c1C#N ZINC001169364230 1060781623 /nfs/dbraw/zinc/78/16/23/1060781623.db2.gz CNXJGRNMIWOGNI-KXBFYZLASA-N 1 0 328.456 4.039 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCN(C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC001169471835 1060833349 /nfs/dbraw/zinc/83/33/49/1060833349.db2.gz CXHCAKQQIQFALP-HXUWFJFHSA-N 1 0 330.422 4.304 20 30 EIEDRO N#CCC1(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC001169604901 1060868419 /nfs/dbraw/zinc/86/84/19/1060868419.db2.gz PNKTUNRKXJGPAD-HNNXBMFYSA-N 1 0 337.236 4.323 20 30 EIEDRO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC001169628663 1060876993 /nfs/dbraw/zinc/87/69/93/1060876993.db2.gz MGRPEYJXXSXQBL-FQEVSTJZSA-N 1 0 348.471 4.418 20 30 EIEDRO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC001169628664 1060877121 /nfs/dbraw/zinc/87/71/21/1060877121.db2.gz MGRPEYJXXSXQBL-HXUWFJFHSA-N 1 0 348.471 4.418 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc(C)c(C#N)c([N+](=O)[O-])c1 ZINC001169689090 1060899913 /nfs/dbraw/zinc/89/99/13/1060899913.db2.gz FBJYVLQCEAUFLV-QGZVFWFLSA-N 1 0 336.395 4.015 20 30 EIEDRO N#Cc1ccccc1OCC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC001169687125 1060900827 /nfs/dbraw/zinc/90/08/27/1060900827.db2.gz OYSWEJXWACCENQ-UHFFFAOYSA-N 1 0 340.854 4.470 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cnc(C#N)c(C(F)(F)F)c1 ZINC001169696884 1060904606 /nfs/dbraw/zinc/90/46/06/1060904606.db2.gz MWPRNGVPSOCRJF-HNNXBMFYSA-N 1 0 346.356 4.212 20 30 EIEDRO CN(C)/C=[NH+]/c1ccc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)cc1C#N ZINC001169758779 1060949124 /nfs/dbraw/zinc/94/91/24/1060949124.db2.gz USBZRVBZXBQHBY-WXWJXLOASA-N 1 0 348.450 4.112 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)CCCC1(C)C ZINC001169845820 1060996846 /nfs/dbraw/zinc/99/68/46/1060996846.db2.gz WOQTXOKPPLOXEN-SFHVURJKSA-N 1 0 344.890 4.487 20 30 EIEDRO CC1(C)CC(=O)C=C(Nc2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC001169953515 1061052254 /nfs/dbraw/zinc/05/22/54/1061052254.db2.gz VYHQAODNJBSQLY-WOJBJXKFSA-N 1 0 342.483 4.158 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(F)cc1 ZINC000729681986 1032131187 /nfs/dbraw/zinc/13/11/87/1032131187.db2.gz QCTKNWZCPZVILV-MRXNPFEDSA-N 1 0 325.431 4.069 20 30 EIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC1CCC(C#N)CC1 ZINC001168265771 1032180687 /nfs/dbraw/zinc/18/06/87/1032180687.db2.gz WGUOPQPZNURRDX-JMLCCBQJSA-N 1 0 335.879 4.202 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(C)(C)CC2)cc1OCCCC#N ZINC000237319098 1032227683 /nfs/dbraw/zinc/22/76/83/1032227683.db2.gz YWUNWDOJBMBANU-UHFFFAOYSA-N 1 0 330.472 4.436 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1SC)Cc1cccs1 ZINC000532739276 1032292477 /nfs/dbraw/zinc/29/24/77/1032292477.db2.gz LFZBYAFZWLELQN-UHFFFAOYSA-N 1 0 346.521 4.487 20 30 EIEDRO Cc1cc(C)cc(NC(=[NH2+])N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c1 ZINC000262839239 1032312329 /nfs/dbraw/zinc/31/23/29/1032312329.db2.gz UCFLTEBEOPCWQV-CVEARBPZSA-N 1 0 345.393 4.188 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)cc1 ZINC000532927526 1032394241 /nfs/dbraw/zinc/39/42/41/1032394241.db2.gz CMYXLUWKSXMYJG-UHFFFAOYSA-N 1 0 341.842 4.062 20 30 EIEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000532941978 1032404599 /nfs/dbraw/zinc/40/45/99/1032404599.db2.gz PGFUHMSXHBDBJM-RTBURBONSA-N 1 0 349.478 4.057 20 30 EIEDRO C[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000532941976 1032405228 /nfs/dbraw/zinc/40/52/28/1032405228.db2.gz PGFUHMSXHBDBJM-OALUTQOASA-N 1 0 349.478 4.057 20 30 EIEDRO Cc1cccc(C)c1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000532933577 1032410323 /nfs/dbraw/zinc/41/03/23/1032410323.db2.gz JTYSMAKSHVJYCR-UHFFFAOYSA-N 1 0 349.478 4.272 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000245735587 1032449020 /nfs/dbraw/zinc/44/90/20/1032449020.db2.gz KRETZAMPCHUWJQ-YLJYHZDGSA-N 1 0 335.451 4.054 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(Cl)c(N)c(Cl)c1 ZINC000760156725 1032467787 /nfs/dbraw/zinc/46/77/87/1032467787.db2.gz FZQGLDMUNOSMRX-SECBINFHSA-N 1 0 338.213 4.437 20 30 EIEDRO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1C#N ZINC000533079612 1032479885 /nfs/dbraw/zinc/47/98/85/1032479885.db2.gz NMKNWRQRDPZPSG-UHFFFAOYSA-N 1 0 333.435 4.097 20 30 EIEDRO COc1cc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000533233880 1032561163 /nfs/dbraw/zinc/56/11/63/1032561163.db2.gz PZGLFOFHOMMRAY-CYBMUJFWSA-N 1 0 346.377 4.361 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)CN1Cc1ccccc1 ZINC000121229231 1032574222 /nfs/dbraw/zinc/57/42/22/1032574222.db2.gz GULLAYYWFJDCMY-QIJUGHKUSA-N 1 0 333.479 4.284 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000180205942 1032595555 /nfs/dbraw/zinc/59/55/55/1032595555.db2.gz HVODAOFDLARYAN-MRXNPFEDSA-N 1 0 327.472 4.186 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000180206634 1032596565 /nfs/dbraw/zinc/59/65/65/1032596565.db2.gz MLUZKYFVYZSQMP-AOIWGVFYSA-N 1 0 335.451 4.225 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1Oc1cccnc1 ZINC000500548748 1032631373 /nfs/dbraw/zinc/63/13/73/1032631373.db2.gz LFBMEZICSXVTQO-UHFFFAOYSA-N 1 0 329.403 4.378 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000181090564 1032642991 /nfs/dbraw/zinc/64/29/91/1032642991.db2.gz CLBDDHIOSPBAFO-GOSISDBHSA-N 1 0 343.515 4.037 20 30 EIEDRO N#CCSCCC[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000533334466 1032663476 /nfs/dbraw/zinc/66/34/76/1032663476.db2.gz QSRPHKZQVJYSIV-CQSZACIVSA-N 1 0 331.510 4.123 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000026326421 1032674749 /nfs/dbraw/zinc/67/47/49/1032674749.db2.gz XWJPXWQVJNQPCM-UHFFFAOYSA-N 1 0 342.826 4.005 20 30 EIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000533367589 1032705426 /nfs/dbraw/zinc/70/54/26/1032705426.db2.gz AKTINXAHLKYPRR-YWZLYKJASA-N 1 0 333.435 4.016 20 30 EIEDRO Fc1ccc(C#CC[NH+]2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC001167049662 1018866898 /nfs/dbraw/zinc/86/68/98/1018866898.db2.gz SKJMWIJAOMWAOA-UHFFFAOYSA-N 1 0 325.402 4.271 20 30 EIEDRO COC(=O)c1ccccc1CC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000430168196 1018953503 /nfs/dbraw/zinc/95/35/03/1018953503.db2.gz HYWHOFSWRBXRMX-UHFFFAOYSA-N 1 0 342.483 4.058 20 30 EIEDRO C[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)Cc2ccccc2O1 ZINC000430171393 1018964971 /nfs/dbraw/zinc/96/49/71/1018964971.db2.gz WCCAZVSGCUQZKT-KRWDZBQOSA-N 1 0 336.435 4.152 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000186967336 1019062173 /nfs/dbraw/zinc/06/21/73/1019062173.db2.gz YEWGITCELDDICH-OAHLLOKOSA-N 1 0 330.435 4.375 20 30 EIEDRO Cc1ccc(C)c([C@@H]2CN(Cc3cccc(C#N)c3F)[C@@H](C)CO2)c1 ZINC000512457233 1032819400 /nfs/dbraw/zinc/81/94/00/1032819400.db2.gz REGHRECQWCJJPA-JXFKEZNVSA-N 1 0 338.426 4.276 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1C ZINC000610216557 1019415374 /nfs/dbraw/zinc/41/53/74/1019415374.db2.gz PYPCIHGSYFYJLR-WMZOPIPTSA-N 1 0 341.499 4.061 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000157573591 1019490677 /nfs/dbraw/zinc/49/06/77/1019490677.db2.gz GTOKDHJIGMPDMU-INIZCTEOSA-N 1 0 347.418 4.088 20 30 EIEDRO CSCCCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000274854945 1019795999 /nfs/dbraw/zinc/79/59/99/1019795999.db2.gz YNPBBOMCAPYKCU-UHFFFAOYSA-N 1 0 342.512 4.087 20 30 EIEDRO CC1(C)C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]2CCC[C@H]21 ZINC000339709586 1019837297 /nfs/dbraw/zinc/83/72/97/1019837297.db2.gz DWEPXUOUIWAXAI-QUCCMNQESA-N 1 0 349.478 4.248 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC001209439465 1020344725 /nfs/dbraw/zinc/34/47/25/1020344725.db2.gz QRJGLFZZHPPMED-UHFFFAOYSA-N 1 0 340.515 4.465 20 30 EIEDRO C=CCCCCCCC[N@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001209439536 1020345992 /nfs/dbraw/zinc/34/59/92/1020345992.db2.gz RZMLUIKNMVMIRX-UHFFFAOYSA-N 1 0 345.531 4.231 20 30 EIEDRO C=CCCCCCCC[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001209442168 1020352029 /nfs/dbraw/zinc/35/20/29/1020352029.db2.gz VJBCCGBKIUURIH-FQEVSTJZSA-N 1 0 345.531 4.268 20 30 EIEDRO C=CCCCCCCCC[NH+]1CCC(NC(=O)C(F)(F)F)CC1 ZINC001209446316 1020358325 /nfs/dbraw/zinc/35/83/25/1020358325.db2.gz VWYXRQWIYCUWTO-UHFFFAOYSA-N 1 0 334.426 4.046 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1)C1CC1 ZINC000432830289 1032898324 /nfs/dbraw/zinc/89/83/24/1032898324.db2.gz TUMVBJWKJFXPMN-UHFFFAOYSA-N 1 0 333.435 4.103 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(OC)cc1 ZINC000025365309 1020559273 /nfs/dbraw/zinc/55/92/73/1020559273.db2.gz UFPVWRNSGQIWDZ-NRFANRHFSA-N 1 0 337.467 4.286 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)C1CC1 ZINC000120308103 1020679020 /nfs/dbraw/zinc/67/90/20/1020679020.db2.gz OWCKPFIDJNJYCI-HXUWFJFHSA-N 1 0 338.451 4.044 20 30 EIEDRO CC[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Oc1cccc(F)c1 ZINC000175799098 1020800003 /nfs/dbraw/zinc/80/00/03/1020800003.db2.gz BKCPIDGXKHXZLN-MAUKXSAKSA-N 1 0 342.414 4.064 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000512501392 1032937994 /nfs/dbraw/zinc/93/79/94/1032937994.db2.gz IYDMWTXHWARPRB-UHFFFAOYSA-N 1 0 333.378 4.185 20 30 EIEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000090397577 1020888641 /nfs/dbraw/zinc/88/86/41/1020888641.db2.gz SVTVVIOQDZPXEU-WMZOPIPTSA-N 1 0 333.447 4.228 20 30 EIEDRO N#Cc1ccccc1COc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000063457387 1020909362 /nfs/dbraw/zinc/90/93/62/1020909362.db2.gz OKJJMZWVNLFFLQ-UHFFFAOYSA-N 1 0 336.435 4.002 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)s1 ZINC000176955460 1020939691 /nfs/dbraw/zinc/93/96/91/1020939691.db2.gz AAFKXJCOFASMMM-UHFFFAOYSA-N 1 0 339.395 4.236 20 30 EIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176979467 1020943210 /nfs/dbraw/zinc/94/32/10/1020943210.db2.gz GHOFCFKNSZMCJS-LPHOPBHVSA-N 1 0 326.465 4.186 20 30 EIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000340448218 1021043484 /nfs/dbraw/zinc/04/34/84/1021043484.db2.gz RODPXWPLAQJRFU-QAPCUYQASA-N 1 0 349.434 4.103 20 30 EIEDRO N#CCCC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000340447953 1021043786 /nfs/dbraw/zinc/04/37/86/1021043786.db2.gz QFFBJGZOGQJCOJ-KRWDZBQOSA-N 1 0 339.405 4.038 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000547975775 1021044270 /nfs/dbraw/zinc/04/42/70/1021044270.db2.gz NSPLJQBSKSGFNN-IBGZPJMESA-N 1 0 328.500 4.069 20 30 EIEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[C@H]1C ZINC000340458137 1021052188 /nfs/dbraw/zinc/05/21/88/1021052188.db2.gz XYUCMFXIGBIYAH-MDNKFWRPSA-N 1 0 342.483 4.379 20 30 EIEDRO C=CC[C@H](CC)[NH2+][C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000500823947 1032955334 /nfs/dbraw/zinc/95/53/34/1032955334.db2.gz ANZMZYUDSHTHEF-PXNSSMCTSA-N 1 0 338.451 4.319 20 30 EIEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000609280554 1021145936 /nfs/dbraw/zinc/14/59/36/1021145936.db2.gz AFTTXJPVFJFCJI-HXUWFJFHSA-N 1 0 336.435 4.173 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000344415555 1021161714 /nfs/dbraw/zinc/16/17/14/1021161714.db2.gz YEJSBJCMHNTWQX-UHFFFAOYSA-N 1 0 348.288 4.392 20 30 EIEDRO CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328680284 1021177145 /nfs/dbraw/zinc/17/71/45/1021177145.db2.gz BXOJYPPUDHBNJN-MRXNPFEDSA-N 1 0 343.471 4.203 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000471488344 1021209831 /nfs/dbraw/zinc/20/98/31/1021209831.db2.gz MVNBSLFDVNERRM-UHFFFAOYSA-N 1 0 343.515 4.084 20 30 EIEDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000063523236 1021221038 /nfs/dbraw/zinc/22/10/38/1021221038.db2.gz WQLFQRYEBOUMIF-CQSZACIVSA-N 1 0 341.842 4.233 20 30 EIEDRO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000610343913 1021344939 /nfs/dbraw/zinc/34/49/39/1021344939.db2.gz WHXOEZFVXUJBFK-UONOGXRCSA-N 1 0 341.842 4.198 20 30 EIEDRO Cc1ccc([C@H](CNc2ccc(Cl)cc2C#N)[NH+]2CCCC2)o1 ZINC000511379726 1021380152 /nfs/dbraw/zinc/38/01/52/1021380152.db2.gz QJDSUJURNTTYLW-KRWDZBQOSA-N 1 0 329.831 4.362 20 30 EIEDRO N#Cc1csc(C[N@@H+](CCc2cccc(F)c2)C2CCCC2)n1 ZINC000584501802 1021415275 /nfs/dbraw/zinc/41/52/75/1021415275.db2.gz UWTQQAOYIYFKKP-UHFFFAOYSA-N 1 0 329.444 4.141 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000581035108 1021824668 /nfs/dbraw/zinc/82/46/68/1021824668.db2.gz JESJVQQRVIVWLV-AWEZNQCLSA-N 1 0 347.393 4.140 20 30 EIEDRO CCCCCCCCC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC001167377625 1021842737 /nfs/dbraw/zinc/84/27/37/1021842737.db2.gz VQJUSBHQKXEUMU-UHFFFAOYSA-N 1 0 334.479 4.334 20 30 EIEDRO FC(F)c1cccc(CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000279931126 1033015064 /nfs/dbraw/zinc/01/50/64/1033015064.db2.gz WBMYNMYKDWUDBT-LPYMAVHISA-N 1 0 346.377 4.012 20 30 EIEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@H](O)c1ccccc1 ZINC000279937840 1033016755 /nfs/dbraw/zinc/01/67/55/1033016755.db2.gz BCPSTHNLXIECGF-ORYQWCPZSA-N 1 0 338.451 4.142 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC1CCCCC1 ZINC001167390860 1021956460 /nfs/dbraw/zinc/95/64/60/1021956460.db2.gz AYUFVZDRPYKABI-UHFFFAOYSA-N 1 0 336.426 4.362 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(Br)s1)c1ccc(C#N)cc1 ZINC000173854641 1021980700 /nfs/dbraw/zinc/98/07/00/1021980700.db2.gz KDPZQWTVACYYPJ-NSHDSACASA-N 1 0 335.270 4.276 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000414168822 1022018787 /nfs/dbraw/zinc/01/87/87/1022018787.db2.gz RDTPXIATOJZWJT-AWEZNQCLSA-N 1 0 325.225 4.105 20 30 EIEDRO CN(C(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C)C1(C#N)CCCCC1 ZINC000064938845 1022034446 /nfs/dbraw/zinc/03/44/46/1022034446.db2.gz KMIBMFBAIJSJQX-IBGZPJMESA-N 1 0 341.499 4.048 20 30 EIEDRO C=CCC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000580458192 1022045764 /nfs/dbraw/zinc/04/57/64/1022045764.db2.gz FCTDAETWASPWSR-UHFFFAOYSA-N 1 0 330.472 4.010 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1F ZINC000471582667 1022076283 /nfs/dbraw/zinc/07/62/83/1022076283.db2.gz PTESRMPDFHPDRM-AVYPCKFXSA-N 1 0 325.431 4.039 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1C)Cc1ccc(OC)cc1 ZINC000174743789 1022149552 /nfs/dbraw/zinc/14/95/52/1022149552.db2.gz LCAKYTBHXULGAP-UHFFFAOYSA-N 1 0 338.451 4.020 20 30 EIEDRO CC(C)(C#N)CCC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000610447541 1022231908 /nfs/dbraw/zinc/23/19/08/1022231908.db2.gz LKQNSUSXUWECKP-PHIMTYICSA-N 1 0 330.316 4.379 20 30 EIEDRO CC1(c2ccc(Br)cc2)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000549674303 1033039289 /nfs/dbraw/zinc/03/92/89/1033039289.db2.gz NDGUOWCBFPDVEG-YOEHRIQHSA-N 1 0 347.300 4.495 20 30 EIEDRO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(C#N)c(F)c1 ZINC000471596228 1022238396 /nfs/dbraw/zinc/23/83/96/1022238396.db2.gz AJVDYWJXPPIIIO-CYBMUJFWSA-N 1 0 339.389 4.221 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000472562681 1022260819 /nfs/dbraw/zinc/26/08/19/1022260819.db2.gz IWMAXBNOTAQASZ-VQIMIIECSA-N 1 0 327.472 4.081 20 30 EIEDRO C[NH2+]CCNc1cccc(N=C(c2ccccc2)c2ccccc2)c1 ZINC001167725924 1022313715 /nfs/dbraw/zinc/31/37/15/1022313715.db2.gz NJNKGTRTRJZKHC-UHFFFAOYSA-N 1 0 329.447 4.487 20 30 EIEDRO C=C[C@](C)(CC)C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000187875421 1022336612 /nfs/dbraw/zinc/33/66/12/1022336612.db2.gz SKZNUJZXOZQYPP-LJQANCHMSA-N 1 0 332.513 4.085 20 30 EIEDRO COc1cc(F)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1OC ZINC000580650217 1022343711 /nfs/dbraw/zinc/34/37/11/1022343711.db2.gz IDJBLSQHQJSXCA-SFHVURJKSA-N 1 0 342.414 4.368 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000180248360 1022370167 /nfs/dbraw/zinc/37/01/67/1022370167.db2.gz FWXQGKRQZIYEKJ-ZHRRBRCNSA-N 1 0 342.446 4.152 20 30 EIEDRO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000378106788 1022378204 /nfs/dbraw/zinc/37/82/04/1022378204.db2.gz ZKQZMXVWICRYAX-MJGOQNOKSA-N 1 0 346.902 4.217 20 30 EIEDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1F ZINC000181574014 1022387059 /nfs/dbraw/zinc/38/70/59/1022387059.db2.gz AKRUQDODNOSHOK-CQSZACIVSA-N 1 0 334.398 4.042 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000188025059 1022412773 /nfs/dbraw/zinc/41/27/73/1022412773.db2.gz FNVKMYAITQNUEW-YLJYHZDGSA-N 1 0 325.500 4.081 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000376401055 1022448967 /nfs/dbraw/zinc/44/89/67/1022448967.db2.gz OHAZACMCFZMGAZ-UHFFFAOYSA-N 1 0 337.385 4.138 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)CC(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC000187800189 1022491519 /nfs/dbraw/zinc/49/15/19/1022491519.db2.gz XBOFDWGZHKYDFX-UHFFFAOYSA-N 1 0 348.918 4.065 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000180303793 1022509387 /nfs/dbraw/zinc/50/93/87/1022509387.db2.gz RKHKUYMDWWWJHJ-SFTDATJTSA-N 1 0 338.426 4.252 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000180334488 1022560000 /nfs/dbraw/zinc/56/00/00/1022560000.db2.gz GBYVKFHZSNOXIS-UHFFFAOYSA-N 1 0 338.414 4.391 20 30 EIEDRO N#Cc1ccc(CNc2cccc3c2CN(c2ccccn2)C3)cc1 ZINC000378269649 1022605304 /nfs/dbraw/zinc/60/53/04/1022605304.db2.gz IYWLHOIGDKFGKJ-UHFFFAOYSA-N 1 0 326.403 4.086 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)[C@H](C)C2 ZINC000181150320 1022605681 /nfs/dbraw/zinc/60/56/81/1022605681.db2.gz AHSBLVZNDQGHBN-VGSWGCGISA-N 1 0 333.479 4.368 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC001167438523 1022684525 /nfs/dbraw/zinc/68/45/25/1022684525.db2.gz OHDSBGQRXRUMFI-NRFANRHFSA-N 1 0 340.442 4.197 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000186712865 1022736853 /nfs/dbraw/zinc/73/68/53/1022736853.db2.gz UPGAZXFIRABTAY-RNCFNFMXSA-N 1 0 341.295 4.312 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000564302125 1022741872 /nfs/dbraw/zinc/74/18/72/1022741872.db2.gz LYVQTGJCCBSMMR-QWQCLYJRSA-N 1 0 333.273 4.356 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1)C(C)C ZINC000104628039 1022784362 /nfs/dbraw/zinc/78/43/62/1022784362.db2.gz JUAOIQZHMZXKTE-UHFFFAOYSA-N 1 0 343.515 4.319 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000056491370 1022832393 /nfs/dbraw/zinc/83/23/93/1022832393.db2.gz NYCMQQALPAARKE-UHFFFAOYSA-N 1 0 334.341 4.131 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNc1c(C#N)nnc2ccccc21)c1ccccc1 ZINC000077217158 1022841169 /nfs/dbraw/zinc/84/11/69/1022841169.db2.gz RHDHLQFCGRKPIK-HNNXBMFYSA-N 1 0 345.450 4.043 20 30 EIEDRO C[C@H]([NH2+]Cc1ccnc(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000378510732 1022853550 /nfs/dbraw/zinc/85/35/50/1022853550.db2.gz IPOHGIGNTUCUQI-AWEZNQCLSA-N 1 0 332.382 4.005 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180932307 1022863402 /nfs/dbraw/zinc/86/34/02/1022863402.db2.gz AKLYGUULNPJMAU-AOMKIAJQSA-N 1 0 343.430 4.004 20 30 EIEDRO COc1ccc([C@H](CCC#N)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000581230536 1022891120 /nfs/dbraw/zinc/89/11/20/1022891120.db2.gz BRRHRXOYFWERQV-XLIONFOSSA-N 1 0 343.515 4.140 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)c(F)c1 ZINC000343856684 1022918663 /nfs/dbraw/zinc/91/86/63/1022918663.db2.gz TXYKOUDZYCOWIM-SFHVURJKSA-N 1 0 346.352 4.466 20 30 EIEDRO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156991056 1022932484 /nfs/dbraw/zinc/93/24/84/1022932484.db2.gz KSSLMNHZJNIHOF-AVRDEDQJSA-N 1 0 333.479 4.043 20 30 EIEDRO Fc1ccc(OC(F)(F)F)cc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001143537780 1033089067 /nfs/dbraw/zinc/08/90/67/1033089067.db2.gz CIJXRDMJDFRAED-GFCCVEGCSA-N 1 0 345.258 4.294 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000424298908 1023045408 /nfs/dbraw/zinc/04/54/08/1023045408.db2.gz ULRLOXMXULFWNT-XKQJLSEDSA-N 1 0 336.273 4.007 20 30 EIEDRO Cc1nc(C(C)C)ccc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000339202239 1023079780 /nfs/dbraw/zinc/07/97/80/1023079780.db2.gz IEKKYGWPNAQBGK-UHFFFAOYSA-N 1 0 337.467 4.034 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000179109953 1023204720 /nfs/dbraw/zinc/20/47/20/1023204720.db2.gz NEQVLMGZQXFFEU-GOSISDBHSA-N 1 0 334.891 4.102 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001167461231 1023207487 /nfs/dbraw/zinc/20/74/87/1023207487.db2.gz CHXBWRNJFMYHBA-ZDUSSCGKSA-N 1 0 326.843 4.484 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@H]1COc2ccccc21 ZINC000169100386 1023237323 /nfs/dbraw/zinc/23/73/23/1023237323.db2.gz YECUDEYUOBTNQJ-OXQOHEQNSA-N 1 0 336.435 4.023 20 30 EIEDRO Fc1cccc(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)n1 ZINC000925592292 1023253238 /nfs/dbraw/zinc/25/32/38/1023253238.db2.gz HLDWJELDSYNBJJ-UHFFFAOYSA-N 1 0 332.263 4.364 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000925598687 1023294119 /nfs/dbraw/zinc/29/41/19/1023294119.db2.gz SHFRKFAFVNFXQX-ZDUSSCGKSA-N 1 0 328.378 4.183 20 30 EIEDRO C[C@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccc(OCC#N)cc1 ZINC000376802530 1023313195 /nfs/dbraw/zinc/31/31/95/1023313195.db2.gz BHAMNDSQHISVSG-SJCJKPOMSA-N 1 0 328.799 4.027 20 30 EIEDRO C[C@H](NC[C@@H](C#N)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376865897 1023326606 /nfs/dbraw/zinc/32/66/06/1023326606.db2.gz CHWCNOZWAFUMII-FUHWJXTLSA-N 1 0 328.419 4.319 20 30 EIEDRO C[C@@H](NC[C@H](C#N)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376865896 1023327434 /nfs/dbraw/zinc/32/74/34/1023327434.db2.gz CHWCNOZWAFUMII-AEFFLSMTSA-N 1 0 328.419 4.319 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000584810791 1023337139 /nfs/dbraw/zinc/33/71/39/1023337139.db2.gz OYZRPFCIOMSHET-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO N#Cc1c(F)ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1Cl ZINC000377145019 1023383667 /nfs/dbraw/zinc/38/36/67/1023383667.db2.gz OPTJIZSJCIVKQE-AWEZNQCLSA-N 1 0 336.838 4.322 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000276369397 1023388692 /nfs/dbraw/zinc/38/86/92/1023388692.db2.gz CLQJTZPHHZGQOV-UHFFFAOYSA-N 1 0 341.499 4.241 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000341223408 1023397201 /nfs/dbraw/zinc/39/72/01/1023397201.db2.gz UXEOYFGXKJFOAU-SFHVURJKSA-N 1 0 341.842 4.281 20 30 EIEDRO CC(C)(C)N1CC[C@@H]([NH2+]CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549476618 1023404096 /nfs/dbraw/zinc/40/40/96/1023404096.db2.gz FYXWLVXFMPWASO-IAGOWNOFSA-N 1 0 349.881 4.286 20 30 EIEDRO COc1ccc(C[N@H+](CCC(C)(C)C#N)[C@H](C)C2CC2)c(OC)c1 ZINC000549186232 1023448010 /nfs/dbraw/zinc/44/80/10/1023448010.db2.gz IVDASZRXWWAKBL-OAHLLOKOSA-N 1 0 330.472 4.244 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCOc2ccccc2F)CC1 ZINC000500019899 1023453245 /nfs/dbraw/zinc/45/32/45/1023453245.db2.gz YYAMSGBEAQRLIR-UHFFFAOYSA-N 1 0 338.426 4.198 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1[N+](=O)[O-] ZINC000341254523 1023460452 /nfs/dbraw/zinc/46/04/52/1023460452.db2.gz FRFLNIVLDWHQTE-OAHLLOKOSA-N 1 0 339.395 4.128 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000538187518 1023500037 /nfs/dbraw/zinc/50/00/37/1023500037.db2.gz HJGAJGOXSKTFAP-ICSRJNTNSA-N 1 0 325.839 4.059 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@H](C)CCC#N)cc(C)c1OCC(F)(F)F ZINC000472753717 1023501035 /nfs/dbraw/zinc/50/10/35/1023501035.db2.gz SXUVMICDDRLAIA-CQSZACIVSA-N 1 0 328.378 4.369 20 30 EIEDRO C=CCC[C@H](O)C[N@H+](Cc1cccs1)Cc1ccccc1OC ZINC000472759270 1023510728 /nfs/dbraw/zinc/51/07/28/1023510728.db2.gz JXLFKPCTMPCLPU-KRWDZBQOSA-N 1 0 331.481 4.086 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@H](CC)c2ccccc2)cc(OC)c1O ZINC000500124027 1023519991 /nfs/dbraw/zinc/51/99/91/1023519991.db2.gz QIVSVPUGALUUQA-KRWDZBQOSA-N 1 0 325.452 4.413 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(OC3CCC3)CC2)cc1Cl ZINC000418098337 1023531211 /nfs/dbraw/zinc/53/12/11/1023531211.db2.gz YIFYGBXINMZNQX-UHFFFAOYSA-N 1 0 335.875 4.438 20 30 EIEDRO C=CCSCC[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000892941864 1023539267 /nfs/dbraw/zinc/53/92/67/1023539267.db2.gz LUDBKYFWXVZGIT-UHFFFAOYSA-N 1 0 328.503 4.104 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341294307 1023541701 /nfs/dbraw/zinc/54/17/01/1023541701.db2.gz RSEUAHUJINWJBH-FZKQIMNGSA-N 1 0 341.842 4.280 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc(OC)c1O ZINC000418140254 1023560352 /nfs/dbraw/zinc/56/03/52/1023560352.db2.gz FNSARVNBTJYTPM-HXUWFJFHSA-N 1 0 348.446 4.168 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000418145469 1023564046 /nfs/dbraw/zinc/56/40/46/1023564046.db2.gz NEMMGBVJKVVVRR-AWEZNQCLSA-N 1 0 337.370 4.201 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc(OCC#N)cc1 ZINC000276474402 1023574041 /nfs/dbraw/zinc/57/40/41/1023574041.db2.gz RYHJABRATAGVPQ-VQIMIIECSA-N 1 0 328.456 4.121 20 30 EIEDRO C=CCC[N@@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000276479788 1023577281 /nfs/dbraw/zinc/57/72/81/1023577281.db2.gz SRRXYFDJNJFHAF-VXGBXAGGSA-N 1 0 331.485 4.091 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c(C)nn(C(C)C)c2C)c1 ZINC000892971655 1023617671 /nfs/dbraw/zinc/61/76/71/1023617671.db2.gz BGWXKWHSZSVHTI-GOSISDBHSA-N 1 0 340.471 4.052 20 30 EIEDRO C#CCCCCCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000780496087 1023623497 /nfs/dbraw/zinc/62/34/97/1023623497.db2.gz KXFUBIGHZSBCOR-IBGZPJMESA-N 1 0 340.511 4.350 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000415579051 1023701817 /nfs/dbraw/zinc/70/18/17/1023701817.db2.gz JPJNXYAMXAWIJC-WDSOQIARSA-N 1 0 341.499 4.130 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415586119 1023708135 /nfs/dbraw/zinc/70/81/35/1023708135.db2.gz VISOOSVIFIQLCU-WBVHZDCISA-N 1 0 329.488 4.130 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000415590030 1023712085 /nfs/dbraw/zinc/71/20/85/1023712085.db2.gz ZRHZXGNDRLATFL-UHFFFAOYSA-N 1 0 329.488 4.050 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000500362478 1023755764 /nfs/dbraw/zinc/75/57/64/1023755764.db2.gz DFKCAADWXFWAFR-UHFFFAOYSA-N 1 0 343.215 4.147 20 30 EIEDRO Cc1ccc(-c2nc(CC[NH2+][C@@H](C)c3cccc(C#N)c3)co2)cc1 ZINC000181652383 1023765340 /nfs/dbraw/zinc/76/53/40/1023765340.db2.gz BTOASDCXAAVCLI-INIZCTEOSA-N 1 0 331.419 4.415 20 30 EIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C(C)(C)O1 ZINC000584583743 1023766567 /nfs/dbraw/zinc/76/65/67/1023766567.db2.gz ZCANOTOTURTKOR-AWEZNQCLSA-N 1 0 326.362 4.013 20 30 EIEDRO CC(C)(C)OC(=O)NCC1([C@H]2CCCC[N@@H+]2CCCCC#N)CCC1 ZINC000933502637 1023767482 /nfs/dbraw/zinc/76/74/82/1023767482.db2.gz SBDCDWCDFOQPRB-QGZVFWFLSA-N 1 0 349.519 4.230 20 30 EIEDRO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c(C#N)c1C ZINC000610543045 1023771478 /nfs/dbraw/zinc/77/14/78/1023771478.db2.gz XXFSUYJOGQIJTK-YLQAJVPDSA-N 1 0 345.512 4.076 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000178178986 1023781185 /nfs/dbraw/zinc/78/11/85/1023781185.db2.gz YAYHZWGQIVREAZ-SPEDKVCISA-N 1 0 333.479 4.262 20 30 EIEDRO CC(C)CC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000341456502 1023785361 /nfs/dbraw/zinc/78/53/61/1023785361.db2.gz BSJZDYNSHISQOP-GOSISDBHSA-N 1 0 349.906 4.169 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(C#N)cc1F ZINC000471770488 1023824516 /nfs/dbraw/zinc/82/45/16/1023824516.db2.gz JYOHJNDRHAZEKY-GFCCVEGCSA-N 1 0 334.341 4.192 20 30 EIEDRO Cc1nsc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1C#N ZINC000341538865 1023839760 /nfs/dbraw/zinc/83/97/60/1023839760.db2.gz XLKNYGWTIIURCI-AWEZNQCLSA-N 1 0 340.496 4.167 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511805570 1023895618 /nfs/dbraw/zinc/89/56/18/1023895618.db2.gz GQTSWIDDVHCINO-GVDBMIGSSA-N 1 0 327.390 4.258 20 30 EIEDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167492419 1023955430 /nfs/dbraw/zinc/95/54/30/1023955430.db2.gz SCPPITOWLHDZOG-RTWAWAEBSA-N 1 0 347.462 4.073 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)c1 ZINC000520932059 1023962297 /nfs/dbraw/zinc/96/22/97/1023962297.db2.gz ZPPYFFSPFIKUOL-JOCHJYFZSA-N 1 0 336.479 4.178 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)C1 ZINC000651751708 1023979718 /nfs/dbraw/zinc/97/97/18/1023979718.db2.gz FFHPNHCJKVTXRT-DJIMGWMZSA-N 1 0 326.444 4.163 20 30 EIEDRO C=CC[C@]1(C(=O)Nc2ccccc2NCc2ccccc2C)CCC[NH2+]1 ZINC000662798659 1024059375 /nfs/dbraw/zinc/05/93/75/1024059375.db2.gz HCDJALRDGVWLCV-JOCHJYFZSA-N 1 0 349.478 4.244 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(OCC(F)F)c2)cc1 ZINC000594499675 1024093992 /nfs/dbraw/zinc/09/39/92/1024093992.db2.gz PQQBHWDRZSLDOD-UHFFFAOYSA-N 1 0 344.405 4.421 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000651672813 1024143521 /nfs/dbraw/zinc/14/35/21/1024143521.db2.gz LUXUKWXGDFWXCY-OLMNPRSZSA-N 1 0 329.875 4.497 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1cccnc1 ZINC000066904916 1024390768 /nfs/dbraw/zinc/39/07/68/1024390768.db2.gz MXUFNEPOCMQACP-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3cc(C#N)ccn3)cc2)C1 ZINC000341720697 1024470573 /nfs/dbraw/zinc/47/05/73/1024470573.db2.gz HWUNNCDJKFMOAM-IRXDYDNUSA-N 1 0 334.467 4.043 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1Br)C(C)(C)C ZINC000661759190 1024479034 /nfs/dbraw/zinc/47/90/34/1024479034.db2.gz CZFWPJJYCVXUIQ-UHFFFAOYSA-N 1 0 339.277 4.064 20 30 EIEDRO CCC[N@H+](Cc1nn(CC)c2ccccc12)Cc1ccc(C#N)cc1 ZINC000473145276 1024500133 /nfs/dbraw/zinc/50/01/33/1024500133.db2.gz QJBKMBGELNLVNY-UHFFFAOYSA-N 1 0 332.451 4.340 20 30 EIEDRO C[C@H]([NH2+][C@@H](CO)CCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000652306373 1024523601 /nfs/dbraw/zinc/52/36/01/1024523601.db2.gz URMVZGIKWSNRDF-QPUJVOFHSA-N 1 0 347.274 4.095 20 30 EIEDRO CC1CC[NH+](C2CCC(NC(=O)CC3(C#N)CCCCC3)CC2)CC1 ZINC000597432517 1024622328 /nfs/dbraw/zinc/62/23/28/1024622328.db2.gz CIKKJGBCYSLPOL-UHFFFAOYSA-N 1 0 345.531 4.010 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000341761228 1024628835 /nfs/dbraw/zinc/62/88/35/1024628835.db2.gz OTDZEZFQHABGQJ-FOIQADDNSA-N 1 0 348.446 4.448 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1)C(C)C ZINC000178404111 1024734876 /nfs/dbraw/zinc/73/48/76/1024734876.db2.gz HGHUUSCPKGMYAP-UHFFFAOYSA-N 1 0 335.451 4.349 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cccc3c[nH]nc32)cc1 ZINC000091068117 1024833912 /nfs/dbraw/zinc/83/39/12/1024833912.db2.gz FHTHDTYZTCRFAH-UHFFFAOYSA-N 1 0 338.414 4.391 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc(Br)ccc2o1 ZINC000662090960 1024857728 /nfs/dbraw/zinc/85/77/28/1024857728.db2.gz UVZSBTJGBDLGAF-BETUJISGSA-N 1 0 333.229 4.273 20 30 EIEDRO C=CCC1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCCC1 ZINC001125554271 1024870616 /nfs/dbraw/zinc/87/06/16/1024870616.db2.gz YFOLOCQRUDKZSX-UHFFFAOYSA-N 1 0 344.524 4.310 20 30 EIEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526776 1024885102 /nfs/dbraw/zinc/88/51/02/1024885102.db2.gz RSMQWEJWKIYECA-DOMZBBRYSA-N 1 0 339.302 4.308 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc([S@@](C)=O)cc1 ZINC000341889360 1024901407 /nfs/dbraw/zinc/90/14/07/1024901407.db2.gz RGDKTNLTCXSNPM-KVGGTASHSA-N 1 0 338.476 4.024 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2(c3cccc(Br)c3)CCC2)c1 ZINC000236779897 1024982630 /nfs/dbraw/zinc/98/26/30/1024982630.db2.gz DPJMEZMUQVHQIB-UHFFFAOYSA-N 1 0 341.252 4.490 20 30 EIEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(-c2ccccc2F)s1 ZINC000610812696 1025004660 /nfs/dbraw/zinc/00/46/60/1025004660.db2.gz JQEQAGALTLEJPS-AWEZNQCLSA-N 1 0 343.471 4.193 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1ccccc1 ZINC000341950791 1025008865 /nfs/dbraw/zinc/00/88/65/1025008865.db2.gz YHIYMCJRTAQQPP-HXUWFJFHSA-N 1 0 340.442 4.081 20 30 EIEDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000568144758 1025048657 /nfs/dbraw/zinc/04/86/57/1025048657.db2.gz ZAUCCCIZRQYOBT-WOJBJXKFSA-N 1 0 339.870 4.091 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000610829645 1025052505 /nfs/dbraw/zinc/05/25/05/1025052505.db2.gz CGOHYWQGKUHGFP-ZIAGYGMSSA-N 1 0 333.435 4.200 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610859457 1025072140 /nfs/dbraw/zinc/07/21/40/1025072140.db2.gz NOPNHCIDSZKCOD-OAQYLSRUSA-N 1 0 334.463 4.451 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccnc(C#N)c2)c2ccc(C)cc2)cc1 ZINC000610956280 1025168058 /nfs/dbraw/zinc/16/80/58/1025168058.db2.gz WPRVMJBVPGJQPS-QFIPXVFZSA-N 1 0 343.430 4.150 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000535871841 1025176415 /nfs/dbraw/zinc/17/64/15/1025176415.db2.gz UQCZEJJOTVDJNR-QFIPXVFZSA-N 1 0 346.474 4.474 20 30 EIEDRO N#Cc1cc(C[N@H+](CCc2ccccc2)Cc2ccccc2)ccn1 ZINC000610991565 1025218051 /nfs/dbraw/zinc/21/80/51/1025218051.db2.gz QDRAYMWNOVGCNI-UHFFFAOYSA-N 1 0 327.431 4.198 20 30 EIEDRO C=CCOCC[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000549824238 1033272251 /nfs/dbraw/zinc/27/22/51/1033272251.db2.gz JXWKXMRECSIUKR-AWEZNQCLSA-N 1 0 342.302 4.120 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000481920877 1025346357 /nfs/dbraw/zinc/34/63/57/1025346357.db2.gz WCTRIGOCANXTSD-AUSIDOKSSA-N 1 0 345.490 4.442 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000611559890 1025372558 /nfs/dbraw/zinc/37/25/58/1025372558.db2.gz HRLGVUNZBHJZQK-GOSISDBHSA-N 1 0 330.353 4.185 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCc2ccc(Cl)cc2)cc1 ZINC000105480894 1025382743 /nfs/dbraw/zinc/38/27/43/1025382743.db2.gz VZEDZXMHIPJVEJ-HNNXBMFYSA-N 1 0 328.843 4.353 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000105491819 1025386761 /nfs/dbraw/zinc/38/67/61/1025386761.db2.gz PLSZUQDACXFGSC-QGZVFWFLSA-N 1 0 327.225 4.098 20 30 EIEDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1OC(F)F)c1ccc(C#N)cc1 ZINC000278903951 1025394058 /nfs/dbraw/zinc/39/40/58/1025394058.db2.gz ZNWVWSKGNGMSSA-KRWDZBQOSA-N 1 0 346.377 4.409 20 30 EIEDRO CCC(CC)(C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000236907026 1025436462 /nfs/dbraw/zinc/43/64/62/1025436462.db2.gz CEFQDTLUCDKITH-UHFFFAOYSA-N 1 0 332.451 4.054 20 30 EIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1OCc1ccccc1 ZINC000472038515 1025472745 /nfs/dbraw/zinc/47/27/45/1025472745.db2.gz PUWOYROJCXVWLB-MSOLQXFVSA-N 1 0 326.465 4.093 20 30 EIEDRO C=CCOc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)c1 ZINC000303192258 1025483747 /nfs/dbraw/zinc/48/37/47/1025483747.db2.gz FVAJZQBAYBVCMR-HXUWFJFHSA-N 1 0 338.451 4.273 20 30 EIEDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000472044928 1025494038 /nfs/dbraw/zinc/49/40/38/1025494038.db2.gz VZGILTPIQNKQNQ-ZWKOTPCHSA-N 1 0 326.465 4.093 20 30 EIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000426560472 1025576618 /nfs/dbraw/zinc/57/66/18/1025576618.db2.gz QDODFWHGOOSCKY-LJQANCHMSA-N 1 0 338.451 4.210 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000539086419 1025805063 /nfs/dbraw/zinc/80/50/63/1025805063.db2.gz LQZHUHBNFYQUTD-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO CC(C)c1ccc(C(C)(C)[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000585766869 1025829428 /nfs/dbraw/zinc/82/94/28/1025829428.db2.gz MOPWYRKJSCKQCW-UHFFFAOYSA-N 1 0 332.451 4.354 20 30 EIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000563210869 1025842934 /nfs/dbraw/zinc/84/29/34/1025842934.db2.gz SQZVJKVPFWCCFQ-CQSZACIVSA-N 1 0 339.395 4.104 20 30 EIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1OC ZINC000539254003 1025912521 /nfs/dbraw/zinc/91/25/21/1025912521.db2.gz PVCSRSIOZOJFRN-AWEZNQCLSA-N 1 0 342.414 4.346 20 30 EIEDRO N#CCCCOc1cccc(NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000119744575 1025998731 /nfs/dbraw/zinc/99/87/31/1025998731.db2.gz PMZLNBQZNRSCHP-UHFFFAOYSA-N 1 0 349.478 4.446 20 30 EIEDRO C[C@@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000549625997 1026013671 /nfs/dbraw/zinc/01/36/71/1026013671.db2.gz PYJLOSOXKMYUGW-BFUOFWGJSA-N 1 0 345.849 4.304 20 30 EIEDRO N#Cc1ccc(OCC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000071982642 1026028547 /nfs/dbraw/zinc/02/85/47/1026028547.db2.gz NUJQYTLIIAVGGO-JOCHJYFZSA-N 1 0 346.405 4.455 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000539607259 1026156979 /nfs/dbraw/zinc/15/69/79/1026156979.db2.gz HCYIKPWTYOKMEQ-TUBUQKNSSA-N 1 0 346.446 4.248 20 30 EIEDRO Cc1ccc([C@H]2CSCC[N@@H+]2CCOc2ccccc2C#N)cc1 ZINC000303673187 1026181701 /nfs/dbraw/zinc/18/17/01/1026181701.db2.gz PQGNOHJDKQFEIU-LJQANCHMSA-N 1 0 338.476 4.036 20 30 EIEDRO CCCc1ccc([C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)C(C)C)cc1 ZINC000550157026 1026253590 /nfs/dbraw/zinc/25/35/90/1026253590.db2.gz QZUMQVQMZJDKQH-FQEVSTJZSA-N 1 0 347.466 4.040 20 30 EIEDRO C[C@H](c1ccsc1)N1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187724553 1026306582 /nfs/dbraw/zinc/30/65/82/1026306582.db2.gz UYMQXXBUCJWDKH-HZPDHXFCSA-N 1 0 325.481 4.060 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 ZINC000344475185 1026417261 /nfs/dbraw/zinc/41/72/61/1026417261.db2.gz QAXRBRCPQNDNMV-UHFFFAOYSA-N 1 0 343.515 4.320 20 30 EIEDRO Clc1cccc(C#CC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000440475233 1026425228 /nfs/dbraw/zinc/42/52/28/1026425228.db2.gz SNFQPARTAPVPFR-UHFFFAOYSA-N 1 0 349.865 4.447 20 30 EIEDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000512204184 1026458370 /nfs/dbraw/zinc/45/83/70/1026458370.db2.gz SNTZSBJSXRCDNS-DYESRHJHSA-N 1 0 347.462 4.360 20 30 EIEDRO Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000582330503 1026458641 /nfs/dbraw/zinc/45/86/41/1026458641.db2.gz VBMCCYUEBXYQKN-QGZVFWFLSA-N 1 0 328.362 4.245 20 30 EIEDRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000512204185 1026458834 /nfs/dbraw/zinc/45/88/34/1026458834.db2.gz SNTZSBJSXRCDNS-LAUBAEHRSA-N 1 0 347.462 4.360 20 30 EIEDRO CC[NH+](CC)CCOc1ccccc1CNc1cccc(F)c1C#N ZINC000506869583 1026476405 /nfs/dbraw/zinc/47/64/05/1026476405.db2.gz WAMCADNVOYZYIZ-UHFFFAOYSA-N 1 0 341.430 4.030 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2CCC3(CCOCC3)CC2)cc1OC ZINC000344600184 1026478070 /nfs/dbraw/zinc/47/80/70/1026478070.db2.gz IHYQCMVQYNWEFL-UHFFFAOYSA-N 1 0 345.483 4.089 20 30 EIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1Cl ZINC000611589137 1026487715 /nfs/dbraw/zinc/48/77/15/1026487715.db2.gz RIQSWMKMDAVYFW-KPZWWZAWSA-N 1 0 332.806 4.389 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)o1)Cc1cccc(Br)c1 ZINC000507167209 1026682206 /nfs/dbraw/zinc/68/22/06/1026682206.db2.gz JWTVYBBTXKSURG-UHFFFAOYSA-N 1 0 333.229 4.324 20 30 EIEDRO COc1ccc(OC)c(C[N@H+](Cc2ccc(C#N)s2)C(C)(C)C)c1 ZINC000507202674 1026691057 /nfs/dbraw/zinc/69/10/57/1026691057.db2.gz KGVLIELRDYGEAM-UHFFFAOYSA-N 1 0 344.480 4.438 20 30 EIEDRO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)sc1Br ZINC000507209322 1026701034 /nfs/dbraw/zinc/70/10/34/1026701034.db2.gz IRKATOFSMGTSJW-UHFFFAOYSA-N 1 0 335.270 4.323 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277642238 1026714585 /nfs/dbraw/zinc/71/45/85/1026714585.db2.gz HSOAUCYYZLENTB-UHFFFAOYSA-N 1 0 345.443 4.158 20 30 EIEDRO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)CCC1 ZINC000582502400 1026726778 /nfs/dbraw/zinc/72/67/78/1026726778.db2.gz UHGCSZSHPSTEBI-QGZVFWFLSA-N 1 0 346.540 4.083 20 30 EIEDRO CC(C)[C@H](C#N)c1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1 ZINC001167985588 1026772821 /nfs/dbraw/zinc/77/28/21/1026772821.db2.gz HVOCIPJIQULFRI-FQEVSTJZSA-N 1 0 333.435 4.100 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657454909 1026779217 /nfs/dbraw/zinc/77/92/17/1026779217.db2.gz OBCUILFBCJQONL-UZLBHIALSA-N 1 0 342.414 4.084 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000507509381 1026820861 /nfs/dbraw/zinc/82/08/61/1026820861.db2.gz KYQMHDUQCFCYID-HOTGVXAUSA-N 1 0 332.513 4.038 20 30 EIEDRO Cc1cccc(C)c1[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000546227995 1026821633 /nfs/dbraw/zinc/82/16/33/1026821633.db2.gz GHLHVNUEEBZLRY-IBGZPJMESA-N 1 0 347.506 4.490 20 30 EIEDRO CCO[C@H]1C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C12CCC2 ZINC000507607829 1026852790 /nfs/dbraw/zinc/85/27/90/1026852790.db2.gz VCAUOQBQKOHUAR-OMYXNUHHSA-N 1 0 338.495 4.328 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000507652478 1026862371 /nfs/dbraw/zinc/86/23/71/1026862371.db2.gz WZKLEKZHPHBPKV-PWAJEDTMSA-N 1 0 348.494 4.361 20 30 EIEDRO CN(Cc1csc(-c2cccs2)n1)Cc1cccc(C#N)c1 ZINC000046517986 1026898393 /nfs/dbraw/zinc/89/83/93/1026898393.db2.gz YSWLBKLZTNIDOP-UHFFFAOYSA-N 1 0 325.462 4.375 20 30 EIEDRO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001167594884 1026914946 /nfs/dbraw/zinc/91/49/46/1026914946.db2.gz VYNTUSNOMIFONF-NRFANRHFSA-N 1 0 344.462 4.307 20 30 EIEDRO CCCC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(OC)cc1 ZINC000342737402 1026920751 /nfs/dbraw/zinc/92/07/51/1026920751.db2.gz ZQAQMYMDAFWQRA-HXUWFJFHSA-N 1 0 348.450 4.236 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)CC1 ZINC000153018851 1026929646 /nfs/dbraw/zinc/92/96/46/1026929646.db2.gz JDPNEEPHSARYDM-CQSZACIVSA-N 1 0 335.561 4.440 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)cc1OC ZINC000342763641 1026966279 /nfs/dbraw/zinc/96/62/79/1026966279.db2.gz CSRCMANFVYGBCO-IBGZPJMESA-N 1 0 336.435 4.107 20 30 EIEDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c(C)n1 ZINC000091412266 1026971698 /nfs/dbraw/zinc/97/16/98/1026971698.db2.gz JHQVKPGUWZIHBM-HNNXBMFYSA-N 1 0 342.446 4.483 20 30 EIEDRO C=C(C)CCC(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC001125619455 1026984240 /nfs/dbraw/zinc/98/42/40/1026984240.db2.gz UKSMUNFFENQXCB-UHFFFAOYSA-N 1 0 327.472 4.278 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000342797969 1027041020 /nfs/dbraw/zinc/04/10/20/1027041020.db2.gz SWEOLZPYJKGIFY-FXAWDEMLSA-N 1 0 343.492 4.146 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623915274 1027176749 /nfs/dbraw/zinc/17/67/49/1027176749.db2.gz AWXUXIJQZIFCST-HZPDHXFCSA-N 1 0 344.480 4.103 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCCN(Cc4cccc(F)c4C#N)C3)nc2c1 ZINC000428296958 1027185570 /nfs/dbraw/zinc/18/55/70/1027185570.db2.gz ZAGWRFBQWRLGIU-MRXNPFEDSA-N 1 0 348.425 4.262 20 30 EIEDRO C=CCOc1ccc(CNCc2c(OC)cccc2OC)cc1Cl ZINC000657585260 1027196614 /nfs/dbraw/zinc/19/66/14/1027196614.db2.gz FAHHBFFJXGQEQM-UHFFFAOYSA-N 1 0 347.842 4.212 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000399278017 1027238845 /nfs/dbraw/zinc/23/88/45/1027238845.db2.gz WMMKMRBUCQGCLI-ZDUSSCGKSA-N 1 0 329.241 4.366 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000237363737 1027273452 /nfs/dbraw/zinc/27/34/52/1027273452.db2.gz LNRMBBZQHNUHPU-IEBWSBKVSA-N 1 0 336.483 4.380 20 30 EIEDRO CC[N@H+](CCC(=O)NCC1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000520196860 1027307449 /nfs/dbraw/zinc/30/74/49/1027307449.db2.gz GUDHGXHNVAPPSB-QGZVFWFLSA-N 1 0 341.499 4.028 20 30 EIEDRO C=CCC1([NH2+]Cc2cc(Cl)ccc2Br)CCOCC1 ZINC000657633846 1027339786 /nfs/dbraw/zinc/33/97/86/1027339786.db2.gz ZNVDVCQNRPIFRH-UHFFFAOYSA-N 1 0 344.680 4.317 20 30 EIEDRO CN(C)/C=[NH+]/c1ccc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC001168067062 1027342221 /nfs/dbraw/zinc/34/22/21/1027342221.db2.gz FNBOIIGFDWCTDN-ZPGQBHAFSA-N 1 0 340.377 4.026 20 30 EIEDRO C=CC[N@@H+](CCCCC#N)Cc1cc(Br)ccc1F ZINC000102400205 1027389000 /nfs/dbraw/zinc/38/90/00/1027389000.db2.gz JCIQUDZQOSYYIY-UHFFFAOYSA-N 1 0 325.225 4.270 20 30 EIEDRO C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)C1CCCCC1 ZINC000185506915 1027408276 /nfs/dbraw/zinc/40/82/76/1027408276.db2.gz UMSKGMPXBKBRTD-CABCVRRESA-N 1 0 338.455 4.303 20 30 EIEDRO CCCCOc1cc(C[NH2+]CC2CCC(C#N)CC2)ccc1OC ZINC000441368875 1027490702 /nfs/dbraw/zinc/49/07/02/1027490702.db2.gz CCQKOLJZVWBRBG-UHFFFAOYSA-N 1 0 330.472 4.294 20 30 EIEDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000153543898 1027576694 /nfs/dbraw/zinc/57/66/94/1027576694.db2.gz IRODJIJNLXFGMM-UZLBHIALSA-N 1 0 346.478 4.069 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCc3ccc(O)cc32)ccc1OC ZINC000657693621 1027580443 /nfs/dbraw/zinc/58/04/43/1027580443.db2.gz OBCACDUAXYDIEJ-IBGZPJMESA-N 1 0 339.435 4.133 20 30 EIEDRO CCn1c2ccccc2nc1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329154913 1027615702 /nfs/dbraw/zinc/61/57/02/1027615702.db2.gz APPDFJCWNLKBKO-KRWDZBQOSA-N 1 0 326.444 4.051 20 30 EIEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329180560 1027633572 /nfs/dbraw/zinc/63/35/72/1027633572.db2.gz OGMOQAYPSHMNTG-IKGGRYGDSA-N 1 0 328.456 4.168 20 30 EIEDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000329188260 1027635143 /nfs/dbraw/zinc/63/51/43/1027635143.db2.gz BMOKLOUCCXQFDH-YXJHDRRASA-N 1 0 349.519 4.131 20 30 EIEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]CC(=O)NC2(C#N)CCC2)C1 ZINC000329239777 1027661284 /nfs/dbraw/zinc/66/12/84/1027661284.db2.gz QOUDMTLEUVMWOI-QGZVFWFLSA-N 1 0 325.456 4.083 20 30 EIEDRO CCOc1cc2c(cc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C)O[C@@H](C)C2 ZINC000329252426 1027670520 /nfs/dbraw/zinc/67/05/20/1027670520.db2.gz VLMOPRPGQSWOLY-HOCLYGCPSA-N 1 0 346.471 4.261 20 30 EIEDRO CCc1cccc(NC(=[NH2+])NCc2cccc(COC(C)(C)C)c2)c1 ZINC000303990405 1027716116 /nfs/dbraw/zinc/71/61/16/1027716116.db2.gz YNBXAPROTOTVEP-UHFFFAOYSA-N 1 0 339.483 4.491 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC000329387871 1027761253 /nfs/dbraw/zinc/76/12/53/1027761253.db2.gz RDFWNEQRLNRJCR-HYVNUMGLSA-N 1 0 332.492 4.413 20 30 EIEDRO C=CCSCC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000237882018 1027769400 /nfs/dbraw/zinc/76/94/00/1027769400.db2.gz CEXPKAPXQVOXJP-UHFFFAOYSA-N 1 0 349.931 4.210 20 30 EIEDRO C=CCCC1(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000474903716 1027773986 /nfs/dbraw/zinc/77/39/86/1027773986.db2.gz AUZNUCXNSWXLLF-SFHVURJKSA-N 1 0 340.511 4.281 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000328636784 1027783074 /nfs/dbraw/zinc/78/30/74/1027783074.db2.gz AMJOKLNVZGDERM-IGKNDFSCSA-N 1 0 336.520 4.095 20 30 EIEDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193076991 1027784990 /nfs/dbraw/zinc/78/49/90/1027784990.db2.gz QHURZEGOHSRXLR-SIKLNZKXSA-N 1 0 348.490 4.122 20 30 EIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328685750 1027794419 /nfs/dbraw/zinc/79/44/19/1027794419.db2.gz XSGBVYKATMHUHI-HZPDHXFCSA-N 1 0 337.508 4.133 20 30 EIEDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1coc(C2CCCCC2)n1 ZINC000328758807 1027803579 /nfs/dbraw/zinc/80/35/79/1027803579.db2.gz WGAUOBACIDHXMN-HNNXBMFYSA-N 1 0 331.460 4.044 20 30 EIEDRO CCn1c2ccc(F)cc2nc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000329478267 1027806358 /nfs/dbraw/zinc/80/63/58/1027806358.db2.gz CGQJBNQLFDGVIS-CQSZACIVSA-N 1 0 332.423 4.048 20 30 EIEDRO CC[NH+]1CCC(NC(=O)Nc2ncc(C3CCCCC3)s2)CC1 ZINC000329489395 1027811868 /nfs/dbraw/zinc/81/18/68/1027811868.db2.gz YLJQCUZCMSYCIR-UHFFFAOYSA-N 1 0 336.505 4.001 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000328791679 1027813852 /nfs/dbraw/zinc/81/38/52/1027813852.db2.gz QXWHIVOFBWPABT-AWEZNQCLSA-N 1 0 340.471 4.303 20 30 EIEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000329531006 1027834250 /nfs/dbraw/zinc/83/42/50/1027834250.db2.gz WEISCWBBTITRBV-HNNXBMFYSA-N 1 0 340.471 4.092 20 30 EIEDRO C[C@@H](C(=O)Nc1cccc2ncccc21)N1CCCc2occc2C1 ZINC000329559297 1027847413 /nfs/dbraw/zinc/84/74/13/1027847413.db2.gz LWILQBAYKCCEIK-AWEZNQCLSA-N 1 0 335.407 4.253 20 30 EIEDRO CCC[N@H+](CCCCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000444591422 1027878603 /nfs/dbraw/zinc/87/86/03/1027878603.db2.gz NNYHAUUJWMGNBV-QGZVFWFLSA-N 1 0 330.472 4.258 20 30 EIEDRO C[C@@H](CNC(=O)c1ccc(Cl)c(N)c1Cl)C[NH+]1CCCCC1 ZINC000330961796 1027900682 /nfs/dbraw/zinc/90/06/82/1027900682.db2.gz PEDNRLMNIJVKDG-NSHDSACASA-N 1 0 344.286 4.002 20 30 EIEDRO CSc1nc(C[N@H+](Cc2ccccc2)C(C)(C)C)ccc1C#N ZINC001141929425 1027971741 /nfs/dbraw/zinc/97/17/41/1027971741.db2.gz VDWHJQGQZFIGID-UHFFFAOYSA-N 1 0 325.481 4.476 20 30 EIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000444689418 1027973761 /nfs/dbraw/zinc/97/37/61/1027973761.db2.gz NMWVTBFFAGAOHY-LBPRGKRZSA-N 1 0 344.425 4.433 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Br)s1 ZINC000444760029 1028025791 /nfs/dbraw/zinc/02/57/91/1028025791.db2.gz ISKJCNTWJZNVQM-NSHDSACASA-N 1 0 335.270 4.427 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2csc(-c3ncccn3)n2)CCCC1(C)C ZINC000444775903 1028058572 /nfs/dbraw/zinc/05/85/72/1028058572.db2.gz AXUGTQZNEOENHL-HNNXBMFYSA-N 1 0 328.485 4.167 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)c2ccc(C)cc2)cc1OC ZINC000523390968 1028063409 /nfs/dbraw/zinc/06/34/09/1028063409.db2.gz OPPIZDRHNULQSR-QGZVFWFLSA-N 1 0 325.452 4.462 20 30 EIEDRO CCCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000523450496 1028103405 /nfs/dbraw/zinc/10/34/05/1028103405.db2.gz YHBULZWNXBOMTR-SFHVURJKSA-N 1 0 349.478 4.038 20 30 EIEDRO N#CCSCCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000123846012 1028125845 /nfs/dbraw/zinc/12/58/45/1028125845.db2.gz LBVRJVOHYMKUDK-RBUKOAKNSA-N 1 0 332.513 4.002 20 30 EIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329871249 1028145907 /nfs/dbraw/zinc/14/59/07/1028145907.db2.gz CGUPYJJEKFSYIU-KSSFIOAISA-N 1 0 346.519 4.371 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cccc(CSC)c2)cc(OC)c1O ZINC000189473833 1028148260 /nfs/dbraw/zinc/14/82/60/1028148260.db2.gz ULJGNPRAIWQWFS-UHFFFAOYSA-N 1 0 343.492 4.282 20 30 EIEDRO O=C(CCNC(=O)C1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330090566 1028200516 /nfs/dbraw/zinc/20/05/16/1028200516.db2.gz WXZFDQMDTOXCIE-UHFFFAOYSA-N 1 0 349.519 4.277 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000330267449 1028241607 /nfs/dbraw/zinc/24/16/07/1028241607.db2.gz QNVSWXVSEXJORQ-AMFBXLIHSA-N 1 0 343.254 4.127 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000330271734 1028245277 /nfs/dbraw/zinc/24/52/77/1028245277.db2.gz WKPNMKLGQSIQEH-RJIBLYRGSA-N 1 0 343.254 4.127 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000280892177 1028271624 /nfs/dbraw/zinc/27/16/24/1028271624.db2.gz QFDGNDXNYWPRBD-SUNKGSAMSA-N 1 0 330.291 4.142 20 30 EIEDRO C=CC[C@@H]1N(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCCC1(C)C ZINC000445127626 1028319388 /nfs/dbraw/zinc/31/93/88/1028319388.db2.gz BPFSAPKVRBACCU-IBGZPJMESA-N 1 0 347.547 4.170 20 30 EIEDRO C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(C#N)c(F)c1 ZINC000346221204 1028332790 /nfs/dbraw/zinc/33/27/90/1028332790.db2.gz VJCDYOWCJNAATK-LBPRGKRZSA-N 1 0 325.362 4.211 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000278165842 1028359120 /nfs/dbraw/zinc/35/91/20/1028359120.db2.gz CCYZNNHBURQQCP-FOIQADDNSA-N 1 0 349.434 4.317 20 30 EIEDRO CC(C)COc1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000548792686 1028431146 /nfs/dbraw/zinc/43/11/46/1028431146.db2.gz NTMRXOVSRFIQLK-UHFFFAOYSA-N 1 0 349.478 4.174 20 30 EIEDRO CC(C)c1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161640401 1028442283 /nfs/dbraw/zinc/44/22/83/1028442283.db2.gz UJCUYMLZXRQEEB-KRWDZBQOSA-N 1 0 348.494 4.396 20 30 EIEDRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]Cc1cccc(C#N)c1 ZINC000237487170 1028604891 /nfs/dbraw/zinc/60/48/91/1028604891.db2.gz NRVMIVMUCHTXKU-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C=C(C)c1cccc(NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC000934886018 1028657123 /nfs/dbraw/zinc/65/71/23/1028657123.db2.gz XLHGPNXUQQPGMP-UHFFFAOYSA-N 1 0 327.472 4.059 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000524146459 1028705952 /nfs/dbraw/zinc/70/59/52/1028705952.db2.gz PWRNTNRVYMLOCS-UHFFFAOYSA-N 1 0 339.414 4.182 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2C)c1C ZINC000444035873 1028751914 /nfs/dbraw/zinc/75/19/14/1028751914.db2.gz BJYLSFQWVFUKBZ-MJGOQNOKSA-N 1 0 341.499 4.061 20 30 EIEDRO Cc1ccc(C#N)c(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000346855442 1028794877 /nfs/dbraw/zinc/79/48/77/1028794877.db2.gz VFIPKXLRVDDABM-INIZCTEOSA-N 1 0 334.467 4.106 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCSc3c(F)cccc32)ccc1C#N ZINC000281575983 1028796902 /nfs/dbraw/zinc/79/69/02/1028796902.db2.gz CXHKUCLQFYFLPQ-MRXNPFEDSA-N 1 0 328.412 4.033 20 30 EIEDRO CC[N@H+](Cc1ccccc1C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343266962 1028833193 /nfs/dbraw/zinc/83/31/93/1028833193.db2.gz NEFQGYZCIHIMER-LJQANCHMSA-N 1 0 349.478 4.152 20 30 EIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000281676406 1028834176 /nfs/dbraw/zinc/83/41/76/1028834176.db2.gz REDJXEFTERVIRQ-CHWSQXEVSA-N 1 0 328.378 4.367 20 30 EIEDRO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000728569737 1028867131 /nfs/dbraw/zinc/86/71/31/1028867131.db2.gz KUCIVRLGIFPYSG-WIYYLYMNSA-N 1 0 338.426 4.297 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000278334751 1028908466 /nfs/dbraw/zinc/90/84/66/1028908466.db2.gz WXIHKAMKKNLXDY-QRWLVFNGSA-N 1 0 349.434 4.317 20 30 EIEDRO CCC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343318615 1028931086 /nfs/dbraw/zinc/93/10/86/1028931086.db2.gz JRIUVMTXYSPKJY-LJQANCHMSA-N 1 0 349.478 4.234 20 30 EIEDRO N#Cc1ccc(CN(Cc2ncccc2C(F)(F)F)C2CC2)cc1 ZINC000349913568 1029004804 /nfs/dbraw/zinc/00/48/04/1029004804.db2.gz LTYBOPNLQRGKKF-UHFFFAOYSA-N 1 0 331.341 4.137 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1ncc(Cl)c(C)c1C#N)c1ccco1 ZINC000343445666 1029264045 /nfs/dbraw/zinc/26/40/45/1029264045.db2.gz XQXNIHFGQLNBBP-OAHLLOKOSA-N 1 0 332.835 4.003 20 30 EIEDRO COc1ccsc1[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000186129569 1029302486 /nfs/dbraw/zinc/30/24/86/1029302486.db2.gz AUKVPBBWCCCCLK-CYBMUJFWSA-N 1 0 332.494 4.212 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000052660163 1029331386 /nfs/dbraw/zinc/33/13/86/1029331386.db2.gz PCDNJZKTORQMCS-HXUWFJFHSA-N 1 0 339.870 4.138 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)cc1 ZINC000052660164 1029331750 /nfs/dbraw/zinc/33/17/50/1029331750.db2.gz PCDNJZKTORQMCS-FQEVSTJZSA-N 1 0 339.870 4.138 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2cc(C#N)cnc2Cl)C2CCC2)cc1 ZINC000897078458 1029349092 /nfs/dbraw/zinc/34/90/92/1029349092.db2.gz AHUNREONCNIGQG-GOSISDBHSA-N 1 0 341.842 4.246 20 30 EIEDRO COc1ccc2c(c1)CCC[C@H]2[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367319316 1029354944 /nfs/dbraw/zinc/35/49/44/1029354944.db2.gz VBXONKFGRPHWGD-HXUWFJFHSA-N 1 0 347.462 4.025 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@@H](CC)c1ccc(Br)cc1Cl ZINC000343490799 1029356090 /nfs/dbraw/zinc/35/60/90/1029356090.db2.gz AYBAFJLOXQQJAN-FZMZJTMJSA-N 1 0 332.669 4.080 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@H](CC)c1ccc(Br)cc1Cl ZINC000343490805 1029356352 /nfs/dbraw/zinc/35/63/52/1029356352.db2.gz AYBAFJLOXQQJAN-SMDDNHRTSA-N 1 0 332.669 4.080 20 30 EIEDRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000026128090 1029438621 /nfs/dbraw/zinc/43/86/21/1029438621.db2.gz XTZWGVDONSYCPB-QGZVFWFLSA-N 1 0 347.462 4.035 20 30 EIEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CCCCC(C)(C)C#N)ccc2NC1=O ZINC000278564089 1029501808 /nfs/dbraw/zinc/50/18/08/1029501808.db2.gz BPRRRGQBCVSKSE-WMLDXEAASA-N 1 0 343.471 4.167 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000475288282 1029502283 /nfs/dbraw/zinc/50/22/83/1029502283.db2.gz RGQZHACOKMQVHQ-UHFFFAOYSA-N 1 0 336.479 4.258 20 30 EIEDRO COc1cccc([C@@H](CNc2cccc(C(F)F)c2C#N)[NH+](C)C)c1 ZINC000573024833 1029557592 /nfs/dbraw/zinc/55/75/92/1029557592.db2.gz KGQGQZMOTBUVSY-GOSISDBHSA-N 1 0 345.393 4.219 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)c1 ZINC000343629227 1029615428 /nfs/dbraw/zinc/61/54/28/1029615428.db2.gz XUOWPVGELJFZLU-SFHVURJKSA-N 1 0 326.827 4.258 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)c1ccc([S@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000278652034 1029648539 /nfs/dbraw/zinc/64/85/39/1029648539.db2.gz ICQOMYCJAIWQBL-OTURYTIQSA-N 1 0 326.465 4.098 20 30 EIEDRO C=CCCCCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000584200946 1029673297 /nfs/dbraw/zinc/67/32/97/1029673297.db2.gz WNTWNRATFAMDCJ-UHFFFAOYSA-N 1 0 333.863 4.218 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000657836673 1029682197 /nfs/dbraw/zinc/68/21/97/1029682197.db2.gz VCLQINALRCEIMA-OXQOHEQNSA-N 1 0 344.474 4.155 20 30 EIEDRO C[C@H](NCc1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000179071781 1029683989 /nfs/dbraw/zinc/68/39/89/1029683989.db2.gz QSRAOXKYSCXYIO-ZDUSSCGKSA-N 1 0 334.341 4.350 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000584405075 1029826093 /nfs/dbraw/zinc/82/60/93/1029826093.db2.gz RJVDFAGPBVWKBA-BBRMVZONSA-N 1 0 334.872 4.144 20 30 EIEDRO CC#CC[N@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447391938 1030058419 /nfs/dbraw/zinc/05/84/19/1030058419.db2.gz ATGCEJSVCBKMFD-HNNXBMFYSA-N 1 0 326.465 4.021 20 30 EIEDRO Cc1cnc([C@@H](C)C[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000184347785 1030069090 /nfs/dbraw/zinc/06/90/90/1030069090.db2.gz KYYBLIFICFWZSC-AWEZNQCLSA-N 1 0 329.469 4.027 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447516754 1030112407 /nfs/dbraw/zinc/11/24/07/1030112407.db2.gz HUNRUIQNUZRKGK-OALUTQOASA-N 1 0 339.508 4.498 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447525619 1030122019 /nfs/dbraw/zinc/12/20/19/1030122019.db2.gz AEPWZDCNOWPRDB-XMSQKQJNSA-N 1 0 349.478 4.134 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccc(C#N)cc1 ZINC000447528131 1030125795 /nfs/dbraw/zinc/12/57/95/1030125795.db2.gz HADZTRZGACHUOK-NRFANRHFSA-N 1 0 330.435 4.044 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCCN(c2cccc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447536926 1030140936 /nfs/dbraw/zinc/14/09/36/1030140936.db2.gz RIKZQPWREOUKLR-KNQAVFIVSA-N 1 0 349.478 4.277 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000657880412 1030157702 /nfs/dbraw/zinc/15/77/02/1030157702.db2.gz XJZBULWIAXZPDD-VQTJNVASSA-N 1 0 345.531 4.228 20 30 EIEDRO CCC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000480525447 1030168899 /nfs/dbraw/zinc/16/88/99/1030168899.db2.gz IQQXPCPICCLNFP-KURKYZTESA-N 1 0 332.875 4.237 20 30 EIEDRO CC[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(C#N)cc1 ZINC000447591099 1030195194 /nfs/dbraw/zinc/19/51/94/1030195194.db2.gz GZHMONFDJKXSRZ-INIZCTEOSA-N 1 0 338.842 4.339 20 30 EIEDRO COc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1Cl ZINC000262686987 1030228003 /nfs/dbraw/zinc/22/80/03/1030228003.db2.gz AVVXKLXEJWYSEM-NNUKFRKNSA-N 1 0 347.821 4.161 20 30 EIEDRO C=C[C@@H](CC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000760139037 1030230614 /nfs/dbraw/zinc/23/06/14/1030230614.db2.gz NGDLGRCEWLOUBE-FQEVSTJZSA-N 1 0 336.479 4.067 20 30 EIEDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000447845699 1030358615 /nfs/dbraw/zinc/35/86/15/1030358615.db2.gz UDXGKXVMSDYEFQ-UWJYYQICSA-N 1 0 334.463 4.351 20 30 EIEDRO CCC1([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCCC1 ZINC000451277808 1030363986 /nfs/dbraw/zinc/36/39/86/1030363986.db2.gz STHHQKOZUOVQRU-OAHLLOKOSA-N 1 0 345.512 4.189 20 30 EIEDRO CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000451286203 1030371320 /nfs/dbraw/zinc/37/13/20/1030371320.db2.gz CMKJCIDOICSDPY-IBGZPJMESA-N 1 0 345.512 4.141 20 30 EIEDRO C=CCC1(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CCCC1 ZINC000451297698 1030380449 /nfs/dbraw/zinc/38/04/49/1030380449.db2.gz HQYDTJCVPWNCGI-QGZVFWFLSA-N 1 0 328.456 4.147 20 30 EIEDRO C=CCC[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000189897882 1030512068 /nfs/dbraw/zinc/51/20/68/1030512068.db2.gz IISSRSYXMKCQTF-FPOVZHCZSA-N 1 0 340.511 4.071 20 30 EIEDRO Cc1nc([C@H]2CCCN2Cc2ccc(N(C)CCC#N)cc2)cs1 ZINC000189926555 1030522399 /nfs/dbraw/zinc/52/23/99/1030522399.db2.gz ZJFJLWBSXZSVBO-LJQANCHMSA-N 1 0 340.496 4.139 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000527243020 1030572434 /nfs/dbraw/zinc/57/24/34/1030572434.db2.gz CVABFJFWWFPOGD-LJQANCHMSA-N 1 0 338.426 4.498 20 30 EIEDRO C=CCCOCC[NH2+][C@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000657933373 1030629296 /nfs/dbraw/zinc/62/92/96/1030629296.db2.gz RFXZJXQFYGZVNW-OAHLLOKOSA-N 1 0 329.440 4.100 20 30 EIEDRO COc1ccc(C[C@H](C)[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000546653701 1030661881 /nfs/dbraw/zinc/66/18/81/1030661881.db2.gz IRMYLOSUSRXKES-INIZCTEOSA-N 1 0 340.492 4.021 20 30 EIEDRO C=CCC1(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CCC1 ZINC000191861809 1030662269 /nfs/dbraw/zinc/66/22/69/1030662269.db2.gz MUJADEZOEYWUKU-QGZVFWFLSA-N 1 0 326.484 4.075 20 30 EIEDRO C=CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCC1 ZINC000191861798 1030662614 /nfs/dbraw/zinc/66/26/14/1030662614.db2.gz MUJADEZOEYWUKU-KRWDZBQOSA-N 1 0 326.484 4.075 20 30 EIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000448254128 1030678083 /nfs/dbraw/zinc/67/80/83/1030678083.db2.gz ZZADIVHUNJYNEM-UHFFFAOYSA-N 1 0 345.446 4.428 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000658007209 1030757289 /nfs/dbraw/zinc/75/72/89/1030757289.db2.gz YRBSVYAWFKYVDJ-QRQLOZEOSA-N 1 0 327.472 4.017 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000658013252 1030765708 /nfs/dbraw/zinc/76/57/08/1030765708.db2.gz GJOKYIMLXYNNTJ-OAGGEKHMSA-N 1 0 346.437 4.044 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658060918 1030801591 /nfs/dbraw/zinc/80/15/91/1030801591.db2.gz QPXVNNJMPPBPJH-VBQJREDUSA-N 1 0 339.476 4.015 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000610451559 1030815127 /nfs/dbraw/zinc/81/51/27/1030815127.db2.gz UOURPGWVSKMFKN-RBUKOAKNSA-N 1 0 333.479 4.216 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000452004153 1030818670 /nfs/dbraw/zinc/81/86/70/1030818670.db2.gz HHVXECMDOKMFGX-CABCVRRESA-N 1 0 345.512 4.282 20 30 EIEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)o1 ZINC000527810462 1030855069 /nfs/dbraw/zinc/85/50/69/1030855069.db2.gz IRRFDAHDEUOGDH-KXBFYZLASA-N 1 0 336.435 4.070 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cc(F)c(Br)cc2F)CC1 ZINC000527793338 1030859410 /nfs/dbraw/zinc/85/94/10/1030859410.db2.gz ZMIHKHJPLWBXLA-UHFFFAOYSA-N 1 0 343.215 4.289 20 30 EIEDRO C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1C(F)(F)F ZINC000282022110 1030881783 /nfs/dbraw/zinc/88/17/83/1030881783.db2.gz PILDWHMAXNAXLT-UHFFFAOYSA-N 1 0 340.389 4.238 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccccc1C#N ZINC000103475025 1030899073 /nfs/dbraw/zinc/89/90/73/1030899073.db2.gz QSUCDYQMGIILNL-UHFFFAOYSA-N 1 0 330.435 4.013 20 30 EIEDRO CC1CC[NH+](Cc2ccc(NC(=O)c3sccc3C#N)cc2)CC1 ZINC000052035548 1030959693 /nfs/dbraw/zinc/95/96/93/1030959693.db2.gz TUSGYFBWVCETHU-UHFFFAOYSA-N 1 0 339.464 4.104 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000612131505 1031010159 /nfs/dbraw/zinc/01/01/59/1031010159.db2.gz QZQSUSUFDQGDEH-JOCHJYFZSA-N 1 0 346.474 4.474 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CCC1(C#N)CCCCC1 ZINC001168194010 1031033662 /nfs/dbraw/zinc/03/36/62/1031033662.db2.gz XFDJFFGAPFLYRB-WOJBJXKFSA-N 1 0 339.527 4.445 20 30 EIEDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000179395164 1031051782 /nfs/dbraw/zinc/05/17/82/1031051782.db2.gz WNEOBTKCTPEQDS-VGSWGCGISA-N 1 0 333.479 4.450 20 30 EIEDRO C[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccc(C#N)cc1 ZINC001126714119 1031057253 /nfs/dbraw/zinc/05/72/53/1031057253.db2.gz GAFHQVVTSICQRK-HNNXBMFYSA-N 1 0 338.407 4.055 20 30 EIEDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000237537709 1031139308 /nfs/dbraw/zinc/13/93/08/1031139308.db2.gz LNRMBBZQHNUHPU-PKOBYXMFSA-N 1 0 336.483 4.380 20 30 EIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)/C=C\c3ccccc3C#N)c2C1 ZINC000255774310 1031140673 /nfs/dbraw/zinc/14/06/73/1031140673.db2.gz PBILSIQZVVOFQR-KHPPLWFESA-N 1 0 345.446 4.182 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000532489763 1031214409 /nfs/dbraw/zinc/21/44/09/1031214409.db2.gz IVJOFFBXDYOBGZ-UHFFFAOYSA-N 1 0 342.446 4.426 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000179579320 1031219626 /nfs/dbraw/zinc/21/96/26/1031219626.db2.gz KKRPBFLPZABPOH-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)c1 ZINC000293590162 1031321968 /nfs/dbraw/zinc/32/19/68/1031321968.db2.gz FKTNWDUGNTWPIO-CYBMUJFWSA-N 1 0 333.254 4.159 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H](CCSC)C(C)(C)O)cc1 ZINC001168217132 1031322723 /nfs/dbraw/zinc/32/27/23/1031322723.db2.gz NJJQRWZRQRMBFF-RTBURBONSA-N 1 0 348.556 4.314 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2csc(-c3ccccc3)n2)CC1 ZINC000449063890 1031392312 /nfs/dbraw/zinc/39/23/12/1031392312.db2.gz RROVFXYCVZGORT-UHFFFAOYSA-N 1 0 325.481 4.415 20 30 EIEDRO C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000449073713 1031428784 /nfs/dbraw/zinc/42/87/84/1031428784.db2.gz NSJSLHVQQWPWIB-MOPGFXCFSA-N 1 0 347.506 4.304 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000449077876 1031433144 /nfs/dbraw/zinc/43/31/44/1031433144.db2.gz ZOFOHFFTTWKKQL-UHFFFAOYSA-N 1 0 337.423 4.094 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449083005 1031438621 /nfs/dbraw/zinc/43/86/21/1031438621.db2.gz ABVTUARTSZSXLG-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2ccc(Br)s2)CC1 ZINC000449101041 1031442686 /nfs/dbraw/zinc/44/26/86/1031442686.db2.gz YNCNPGZKAXOWSY-UHFFFAOYSA-N 1 0 327.291 4.115 20 30 EIEDRO CC(C)CC(=O)Nc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449101597 1031444583 /nfs/dbraw/zinc/44/45/83/1031444583.db2.gz FWEOLEZGJYMBEI-UHFFFAOYSA-N 1 0 327.472 4.233 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000449139644 1031476501 /nfs/dbraw/zinc/47/65/01/1031476501.db2.gz ARWHIGLHIMDSTM-PTXATLKXSA-N 1 0 333.273 4.498 20 30 EIEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449151366 1031484039 /nfs/dbraw/zinc/48/40/39/1031484039.db2.gz XIGYIVHMGFQYHM-QPIRBTGLSA-N 1 0 329.463 4.165 20 30 EIEDRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531715196 1031501972 /nfs/dbraw/zinc/50/19/72/1031501972.db2.gz XQQJWBOOMPDDHQ-GOEBONIOSA-N 1 0 343.471 4.387 20 30 EIEDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000237496454 1031541699 /nfs/dbraw/zinc/54/16/99/1031541699.db2.gz CRODGRSMRXMFKE-CQSZACIVSA-N 1 0 330.378 4.271 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000449234186 1031565090 /nfs/dbraw/zinc/56/50/90/1031565090.db2.gz PDXYKXVZKGVICO-MAUKXSAKSA-N 1 0 342.462 4.124 20 30 EIEDRO C=CC(C)(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000449250179 1031566914 /nfs/dbraw/zinc/56/69/14/1031566914.db2.gz OEBGQBASQVPUGG-UHFFFAOYSA-N 1 0 336.479 4.244 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CCOC2)cc1F ZINC000365256370 1031575398 /nfs/dbraw/zinc/57/53/98/1031575398.db2.gz NCMNGZHPQJMTBS-VQIMIIECSA-N 1 0 344.817 4.218 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000449296357 1031606248 /nfs/dbraw/zinc/60/62/48/1031606248.db2.gz AWVAEAQGHLOMNP-WMEQCIOUSA-N 1 0 327.255 4.089 20 30 EIEDRO C=CCN(CCc1ccccc1)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000065959519 1031620840 /nfs/dbraw/zinc/62/08/40/1031620840.db2.gz LJPRGKWIYYLLDZ-UHFFFAOYSA-N 1 0 333.435 4.276 20 30 EIEDRO C[C@@H](CCCc1cccnc1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000453145663 1031624015 /nfs/dbraw/zinc/62/40/15/1031624015.db2.gz GZIRJWSCZXQOPP-INIZCTEOSA-N 1 0 346.396 4.453 20 30 EIEDRO N#CCC1(C[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453224043 1031742612 /nfs/dbraw/zinc/74/26/12/1031742612.db2.gz TUFTYIBCYPQZKB-MRXNPFEDSA-N 1 0 333.273 4.054 20 30 EIEDRO CC(C)=CCC[C@@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000449442162 1031763940 /nfs/dbraw/zinc/76/39/40/1031763940.db2.gz JZBASDZJOHIMJQ-GOSISDBHSA-N 1 0 325.500 4.247 20 30 EIEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000449485038 1031794727 /nfs/dbraw/zinc/79/47/27/1031794727.db2.gz KJZHFXROGWAMAX-UHFFFAOYSA-N 1 0 344.455 4.181 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Br)c(F)c1 ZINC000453295222 1031815330 /nfs/dbraw/zinc/81/53/30/1031815330.db2.gz SAPIPJHNDJIPMX-MDZLAQPJSA-N 1 0 325.225 4.321 20 30 EIEDRO C[C@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000453274171 1031819957 /nfs/dbraw/zinc/81/99/57/1031819957.db2.gz CPMQLHRPSUCDNU-UGSOOPFHSA-N 1 0 348.368 4.351 20 30 EIEDRO C=C(C)CC[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000453328242 1031821788 /nfs/dbraw/zinc/82/17/88/1031821788.db2.gz WRDGCYONIMAOHJ-MRXNPFEDSA-N 1 0 326.278 4.473 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000449546981 1031826220 /nfs/dbraw/zinc/82/62/20/1031826220.db2.gz GEAFSZGCNBQGHZ-BNICSPFPSA-N 1 0 325.374 4.275 20 30 EIEDRO C=CC(C)(C)C[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1 ZINC000453303211 1031829006 /nfs/dbraw/zinc/82/90/06/1031829006.db2.gz BSPXCNXDKVJCQM-INIZCTEOSA-N 1 0 346.272 4.130 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(F)ccc3Cl)CCOCC2)cc1 ZINC000528778766 1031847864 /nfs/dbraw/zinc/84/78/64/1031847864.db2.gz MZZMWXHPSLCJOH-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO N#Cc1ccc(C2([NH2+]CCc3ccc(Cl)cc3)CCOCC2)cc1 ZINC000528783812 1031850757 /nfs/dbraw/zinc/85/07/57/1031850757.db2.gz MMMRHKOBOUTTGB-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000453335389 1031859890 /nfs/dbraw/zinc/85/98/90/1031859890.db2.gz ACWHKTATWMKRHQ-LSDHHAIUSA-N 1 0 333.419 4.026 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000453344799 1031871681 /nfs/dbraw/zinc/87/16/81/1031871681.db2.gz JQBSFYOZGZWRAQ-QGTPRVQTSA-N 1 0 342.508 4.427 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000453344040 1031871729 /nfs/dbraw/zinc/87/17/29/1031871729.db2.gz FFSMSGGLNKNOIO-JLZZUVOBSA-N 1 0 344.480 4.121 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000453350925 1031879594 /nfs/dbraw/zinc/87/95/94/1031879594.db2.gz KAKVDXFGXMNIIV-TZMCWYRMSA-N 1 0 333.419 4.319 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000453350923 1031880216 /nfs/dbraw/zinc/88/02/16/1031880216.db2.gz KAKVDXFGXMNIIV-JSGCOSHPSA-N 1 0 333.419 4.319 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000453371787 1031917588 /nfs/dbraw/zinc/91/75/88/1031917588.db2.gz UXUZBSQRDHLALB-WBMJQRKESA-N 1 0 334.460 4.235 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c1 ZINC000449766027 1031989550 /nfs/dbraw/zinc/98/95/50/1031989550.db2.gz MFHORAKPGUJXJI-LJQANCHMSA-N 1 0 343.492 4.306 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)oc2C)cc1OCCCC#N ZINC000120007718 1032006472 /nfs/dbraw/zinc/00/64/72/1032006472.db2.gz GIMIPEMYEAHNAB-OAHLLOKOSA-N 1 0 342.439 4.438 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000453582806 1032030282 /nfs/dbraw/zinc/03/02/82/1032030282.db2.gz XIPHEWIITQOYQA-GOSISDBHSA-N 1 0 331.481 4.162 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccnn2-c2ccccc2C)cc1 ZINC000512557463 1033340428 /nfs/dbraw/zinc/34/04/28/1033340428.db2.gz RRIRDYZQXIDIFN-UHFFFAOYSA-N 1 0 333.435 4.035 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000512570385 1033391111 /nfs/dbraw/zinc/39/11/11/1033391111.db2.gz UUCYKOVXTGYFKL-UHFFFAOYSA-N 1 0 347.418 4.124 20 30 EIEDRO COCC[N@H+](Cc1cccs1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160037 1033529942 /nfs/dbraw/zinc/52/99/42/1033529942.db2.gz PHYIWGYXPLVSMT-UHFFFAOYSA-N 1 0 328.481 4.198 20 30 EIEDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)CCO2 ZINC000614160942 1033533086 /nfs/dbraw/zinc/53/30/86/1033533086.db2.gz XTMUNZLORUYGPV-NHCUHLMSSA-N 1 0 348.446 4.448 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000614162986 1033539406 /nfs/dbraw/zinc/53/94/06/1033539406.db2.gz OLIZHOIXJHOPME-UHFFFAOYSA-N 1 0 326.484 4.411 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@@H](CC)C2)ccc1OC ZINC000236944060 1033550621 /nfs/dbraw/zinc/55/06/21/1033550621.db2.gz LOMYRBLJEQCDII-KBAYOESNSA-N 1 0 330.472 4.435 20 30 EIEDRO C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000614168842 1033557077 /nfs/dbraw/zinc/55/70/77/1033557077.db2.gz XLAPPNNNVDASPX-LAUBAEHRSA-N 1 0 334.463 4.450 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512634198 1033571381 /nfs/dbraw/zinc/57/13/81/1033571381.db2.gz BTEFTEPDFXGKTF-QUJCMNEKSA-N 1 0 330.378 4.263 20 30 EIEDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512637603 1033580413 /nfs/dbraw/zinc/58/04/13/1033580413.db2.gz XPGSEKHBMPAQED-BXWFABGCSA-N 1 0 337.442 4.011 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000614177664 1033589470 /nfs/dbraw/zinc/58/94/70/1033589470.db2.gz QSVRPONDHOXEER-QHCPKHFHSA-N 1 0 346.474 4.162 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000614179327 1033608096 /nfs/dbraw/zinc/60/80/96/1033608096.db2.gz OKMBNQLXCMYBPY-TZIWHRDSSA-N 1 0 334.463 4.355 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000614179325 1033610232 /nfs/dbraw/zinc/61/02/32/1033610232.db2.gz OKMBNQLXCMYBPY-FPOVZHCZSA-N 1 0 334.463 4.355 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000614183906 1033629014 /nfs/dbraw/zinc/62/90/14/1033629014.db2.gz NSRMCQZBKDHJNM-FQEVSTJZSA-N 1 0 338.426 4.280 20 30 EIEDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Nc1ccccc1 ZINC000512655284 1033630262 /nfs/dbraw/zinc/63/02/62/1033630262.db2.gz SSOMUWQJYUYFHR-YWZLYKJASA-N 1 0 325.431 4.485 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1F ZINC000512659566 1033647103 /nfs/dbraw/zinc/64/71/03/1033647103.db2.gz IBEMYSWQLATBPH-LLVKDONJSA-N 1 0 338.304 4.447 20 30 EIEDRO COC(=O)c1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000433015094 1033655636 /nfs/dbraw/zinc/65/56/36/1033655636.db2.gz VHYQFXZQMHXWPN-QGZVFWFLSA-N 1 0 342.464 4.368 20 30 EIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000512666761 1033662719 /nfs/dbraw/zinc/66/27/19/1033662719.db2.gz MBZCKAJBLFIYFC-BBRMVZONSA-N 1 0 330.378 4.345 20 30 EIEDRO COc1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000433018328 1033663348 /nfs/dbraw/zinc/66/33/48/1033663348.db2.gz GRDRNLJZMXQZFH-KRWDZBQOSA-N 1 0 339.395 4.128 20 30 EIEDRO N#CCCC[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000433031456 1033697150 /nfs/dbraw/zinc/69/71/50/1033697150.db2.gz NPTBDWRNMPCATR-QGZVFWFLSA-N 1 0 341.842 4.303 20 30 EIEDRO C=CCOc1ccc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)cc1 ZINC000433194869 1034021349 /nfs/dbraw/zinc/02/13/49/1034021349.db2.gz ZLWDBZDORBTNFY-HXUWFJFHSA-N 1 0 338.451 4.249 20 30 EIEDRO Cc1cccc([C@@H](C)[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000433208073 1034058830 /nfs/dbraw/zinc/05/88/30/1034058830.db2.gz SWFASSPTKLRLTC-LJQANCHMSA-N 1 0 333.479 4.136 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]CCCOc1cccc2cccnc21 ZINC000500918054 1034134242 /nfs/dbraw/zinc/13/42/42/1034134242.db2.gz MMPGMUUIZRWYML-UHFFFAOYSA-N 1 0 348.446 4.358 20 30 EIEDRO CC1(C)CN(CCCC#N)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433314829 1034210154 /nfs/dbraw/zinc/21/01/54/1034210154.db2.gz WVLDYYRANRPTSO-HNNXBMFYSA-N 1 0 326.362 4.161 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)cc1 ZINC000067223742 1034393625 /nfs/dbraw/zinc/39/36/25/1034393625.db2.gz QFMLWQUQNZHMMR-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO Cc1cc(C#N)ccc1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000614405740 1034554244 /nfs/dbraw/zinc/55/42/44/1034554244.db2.gz GDIKFTKMZDAVFT-JOCHJYFZSA-N 1 0 333.479 4.184 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC(C)(OCC)CC2)ccc1OC ZINC000430101064 1034630241 /nfs/dbraw/zinc/63/02/41/1034630241.db2.gz HXONNLXEOBWARL-UHFFFAOYSA-N 1 0 333.472 4.041 20 30 EIEDRO CCOc1ccc(C#N)cc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000513422215 1034926752 /nfs/dbraw/zinc/92/67/52/1034926752.db2.gz SJIFJPAQPLLGPF-UHFFFAOYSA-N 1 0 327.472 4.166 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)o1)CC1(c2ccc(Br)cc2)CC1 ZINC000093612851 1034959373 /nfs/dbraw/zinc/95/93/73/1034959373.db2.gz AYVQCLCYZJSZMC-UHFFFAOYSA-N 1 0 345.240 4.077 20 30 EIEDRO C=C1CC[NH+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000513486027 1034988929 /nfs/dbraw/zinc/98/89/29/1034988929.db2.gz VOOUVBZSLVAUKG-UHFFFAOYSA-N 1 0 336.435 4.100 20 30 EIEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513683244 1035100285 /nfs/dbraw/zinc/10/02/85/1035100285.db2.gz IGTWMUFHWKNOPI-JOCHJYFZSA-N 1 0 331.463 4.113 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1cccc(C#N)c1 ZINC000279999723 1035127682 /nfs/dbraw/zinc/12/76/82/1035127682.db2.gz FWCVCGOVLNWHOT-RYUDHWBXSA-N 1 0 330.229 4.128 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2Br)cc1 ZINC000191820169 1035323402 /nfs/dbraw/zinc/32/34/02/1035323402.db2.gz AZZGULSYRLBUQS-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO C=C(C)CCc1ccccc1N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001167943327 1035414531 /nfs/dbraw/zinc/41/45/31/1035414531.db2.gz LSLZKGSFHWMBEY-IBGZPJMESA-N 1 0 346.515 4.447 20 30 EIEDRO C[N@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)CC1(C#N)CC1 ZINC000501542759 1035462614 /nfs/dbraw/zinc/46/26/14/1035462614.db2.gz VSXUDFLSRZOSNV-UHFFFAOYSA-N 1 0 340.446 4.164 20 30 EIEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513718143 1035482352 /nfs/dbraw/zinc/48/23/52/1035482352.db2.gz VOAWCQKBQBTKCV-OPAMFIHVSA-N 1 0 331.463 4.050 20 30 EIEDRO COc1ccc(CN(CCC#N)CCC(C)C)cc1Br ZINC000513718010 1035486093 /nfs/dbraw/zinc/48/60/93/1035486093.db2.gz VBMGSJNRHXJJBZ-UHFFFAOYSA-N 1 0 339.277 4.219 20 30 EIEDRO Cc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1Cl ZINC000594981103 1035514343 /nfs/dbraw/zinc/51/43/43/1035514343.db2.gz URUQTKXPZZAYPW-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO COc1cc(OC)c([C@H](C)[NH2+]CCc2ccc(C#N)cc2)cc1Cl ZINC000595055227 1035536702 /nfs/dbraw/zinc/53/67/02/1035536702.db2.gz BLICORDNERQPOP-ZDUSSCGKSA-N 1 0 344.842 4.122 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595049634 1035566889 /nfs/dbraw/zinc/56/68/89/1035566889.db2.gz NLWGSDILPAGWIS-CQSZACIVSA-N 1 0 342.395 4.019 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000111408855 1035576346 /nfs/dbraw/zinc/57/63/46/1035576346.db2.gz MOGBCILKPGXCDB-UHFFFAOYSA-N 1 0 336.435 4.047 20 30 EIEDRO N#CC1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000595090148 1035597958 /nfs/dbraw/zinc/59/79/58/1035597958.db2.gz DHKPGBULBQTLBG-VQIMIIECSA-N 1 0 330.447 4.357 20 30 EIEDRO C[N@@H+](Cc1ccccc1)CC1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595307147 1035639219 /nfs/dbraw/zinc/63/92/19/1035639219.db2.gz SPDOLGDRYUYOLT-QFIPXVFZSA-N 1 0 333.479 4.095 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c([N+](=O)[O-])c1 ZINC000593014161 1035679299 /nfs/dbraw/zinc/67/92/99/1035679299.db2.gz VJMVTOYEZNXWIT-UHFFFAOYSA-N 1 0 339.370 4.018 20 30 EIEDRO CC(C)n1cc(C2=CCC[N@H+](CCC3(C#N)CCCCC3)CC2)nn1 ZINC000595521866 1035693499 /nfs/dbraw/zinc/69/34/99/1035693499.db2.gz FYNGRYJWKZHBRY-UHFFFAOYSA-N 1 0 341.503 4.202 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc2ccc(Cl)cc2n1C ZINC000575180532 1035718350 /nfs/dbraw/zinc/71/83/50/1035718350.db2.gz ZKRPSKIARYTKJK-CYBMUJFWSA-N 1 0 338.842 4.144 20 30 EIEDRO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CC=CCC1 ZINC000485124237 1035718600 /nfs/dbraw/zinc/71/86/00/1035718600.db2.gz ASMHJRGGCDLTPZ-GOSISDBHSA-N 1 0 326.484 4.292 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2cccc(OCCCC#N)c2)c1 ZINC000905078864 1035721911 /nfs/dbraw/zinc/72/19/11/1035721911.db2.gz XUWCBXOSFKDGNW-VAWYXSNFSA-N 1 0 348.446 4.327 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 ZINC000046934386 1035728332 /nfs/dbraw/zinc/72/83/32/1035728332.db2.gz QJUKBSPOFAAUFP-MRXNPFEDSA-N 1 0 333.435 4.042 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 ZINC000046934387 1035729510 /nfs/dbraw/zinc/72/95/10/1035729510.db2.gz QJUKBSPOFAAUFP-INIZCTEOSA-N 1 0 333.435 4.042 20 30 EIEDRO C[C@@H](CO)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000593086003 1035741212 /nfs/dbraw/zinc/74/12/12/1035741212.db2.gz ZZGITAKEIZLXPE-KRWDZBQOSA-N 1 0 334.463 4.066 20 30 EIEDRO COc1ccc([C@@H]([NH2+]CCCSCC#N)c2ccccc2)cc1 ZINC000595634102 1035741252 /nfs/dbraw/zinc/74/12/52/1035741252.db2.gz AFTAZFKHGBBBLM-IBGZPJMESA-N 1 0 326.465 4.021 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000595609180 1035750534 /nfs/dbraw/zinc/75/05/34/1035750534.db2.gz HQMJNMXPHVEPFJ-KRWDZBQOSA-N 1 0 333.435 4.065 20 30 EIEDRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595642810 1035754329 /nfs/dbraw/zinc/75/43/29/1035754329.db2.gz UNWPZGGVYXPHKQ-UHFFFAOYSA-N 1 0 349.478 4.454 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595672833 1035759430 /nfs/dbraw/zinc/75/94/30/1035759430.db2.gz CABUUNNRUPFIPH-FQEVSTJZSA-N 1 0 349.434 4.097 20 30 EIEDRO N#CC1(CCC[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)CCOCC1 ZINC000595678311 1035763225 /nfs/dbraw/zinc/76/32/25/1035763225.db2.gz XWZMAYZSCUROFR-SFHVURJKSA-N 1 0 328.456 4.297 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593113832 1035774206 /nfs/dbraw/zinc/77/42/06/1035774206.db2.gz WPMDIGJVWHRFCT-UHFFFAOYSA-N 1 0 346.352 4.365 20 30 EIEDRO C=CCc1cc(C[NH+]2CCC(c3ccco3)CC2)cc(OC)c1O ZINC000668461779 1035826179 /nfs/dbraw/zinc/82/61/79/1035826179.db2.gz DZKMIGBYSPPHPZ-UHFFFAOYSA-N 1 0 327.424 4.102 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNc1nc2ncccc2cc1C#N)c1ccccc1 ZINC000596112874 1035829454 /nfs/dbraw/zinc/82/94/54/1035829454.db2.gz WGXVXLXKAKFQMU-HNNXBMFYSA-N 1 0 345.450 4.043 20 30 EIEDRO C=CC[N@H+](Cc1cc(C)ccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211251 1035834275 /nfs/dbraw/zinc/83/42/75/1035834275.db2.gz MMKTUMUMBOJXFH-SFHVURJKSA-N 1 0 347.466 4.028 20 30 EIEDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000586790333 1035847574 /nfs/dbraw/zinc/84/75/74/1035847574.db2.gz UEOQKPGIRNOJDA-GDBMZVCRSA-N 1 0 338.451 4.166 20 30 EIEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)c(-c2ccccc2)n1 ZINC000414487415 1035931700 /nfs/dbraw/zinc/93/17/00/1035931700.db2.gz SDBVHLJUJXQAPW-CTNGQTDRSA-N 1 0 348.494 4.380 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)c1ccsc1 ZINC000421003239 1035939337 /nfs/dbraw/zinc/93/93/37/1035939337.db2.gz GVVTYMOYFHKLOI-ZDUSSCGKSA-N 1 0 347.509 4.481 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC(c3ccnn3CCC)CC2)c1 ZINC000502303316 1036059614 /nfs/dbraw/zinc/05/96/14/1036059614.db2.gz TWXHNYZCHHXBDX-UHFFFAOYSA-N 1 0 339.483 4.238 20 30 EIEDRO CN(Cc1nc2ccccc2s1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980488 1036061845 /nfs/dbraw/zinc/06/18/45/1036061845.db2.gz OZPMMCXXDXHOME-UHFFFAOYSA-N 1 0 333.460 4.483 20 30 EIEDRO N#CC1(c2ccc(C[N@H+](Cc3cccc(O)c3)CC3CC3)cc2)CC1 ZINC000596995536 1036073622 /nfs/dbraw/zinc/07/36/22/1036073622.db2.gz LVCPQKAYZMRKKR-UHFFFAOYSA-N 1 0 332.447 4.360 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cnccc2C(C)(C)C)cc(OC)c1O ZINC000414502681 1036130966 /nfs/dbraw/zinc/13/09/66/1036130966.db2.gz URLKUMWJMFZMMN-UHFFFAOYSA-N 1 0 340.467 4.112 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnc(Cl)c(C)c2)c1 ZINC000760674146 1036170387 /nfs/dbraw/zinc/17/03/87/1036170387.db2.gz DVMCZOZLOFHSOD-INIZCTEOSA-N 1 0 329.831 4.014 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)cc1F ZINC000421320395 1036267827 /nfs/dbraw/zinc/26/78/27/1036267827.db2.gz BZYMIMLUTYOWHR-SFHVURJKSA-N 1 0 346.352 4.466 20 30 EIEDRO N#Cc1cccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c1F ZINC000588206481 1036300589 /nfs/dbraw/zinc/30/05/89/1036300589.db2.gz ZRRXRTMAGOGCPF-UHFFFAOYSA-N 1 0 342.389 4.018 20 30 EIEDRO COC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC(c2ccccc2)CC1 ZINC000588231175 1036305267 /nfs/dbraw/zinc/30/52/67/1036305267.db2.gz HRGUDGKJQLHTHY-MAKTXDPSSA-N 1 0 326.484 4.401 20 30 EIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421365982 1036312915 /nfs/dbraw/zinc/31/29/15/1036312915.db2.gz RKPHSINHBZSWOX-KPZWWZAWSA-N 1 0 332.806 4.217 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000571987817 1036327378 /nfs/dbraw/zinc/32/73/78/1036327378.db2.gz AWROQZXVFZSZLI-ZDUSSCGKSA-N 1 0 334.448 4.236 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CC23CCSCC3)ccc1OC ZINC000421377448 1036329704 /nfs/dbraw/zinc/32/97/04/1036329704.db2.gz JSJRCMCDGYLPJM-QGZVFWFLSA-N 1 0 347.524 4.273 20 30 EIEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602485691 1036462179 /nfs/dbraw/zinc/46/21/79/1036462179.db2.gz LASAUMOGHKLJJO-INIZCTEOSA-N 1 0 347.528 4.005 20 30 EIEDRO CCCCOc1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602517207 1036475150 /nfs/dbraw/zinc/47/51/50/1036475150.db2.gz XWIVKRKZMSJKLK-QGZVFWFLSA-N 1 0 330.472 4.054 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCSc1ccc(Cl)cc1 ZINC000602504794 1036479590 /nfs/dbraw/zinc/47/95/90/1036479590.db2.gz VRHAIYVGMQPSPU-AWEZNQCLSA-N 1 0 338.904 4.121 20 30 EIEDRO Cc1c(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)oc2ccc(F)cc12 ZINC000602522886 1036480646 /nfs/dbraw/zinc/48/06/46/1036480646.db2.gz ZNKMRUKIJVHMIZ-ZDUSSCGKSA-N 1 0 330.403 4.069 20 30 EIEDRO N#CC1CCC([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000602511959 1036486913 /nfs/dbraw/zinc/48/69/13/1036486913.db2.gz SMRNZVYYMQCROO-XUJQIHCRSA-N 1 0 331.891 4.149 20 30 EIEDRO N#Cc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c(F)c1 ZINC000602540250 1036491061 /nfs/dbraw/zinc/49/10/61/1036491061.db2.gz YAWIOGQOJVJFGR-UGKGYDQZSA-N 1 0 349.453 4.155 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1c(Cl)cccc1Cl ZINC000602523623 1036493105 /nfs/dbraw/zinc/49/31/05/1036493105.db2.gz DDMQTDOXSIRFGP-GFCCVEGCSA-N 1 0 327.255 4.182 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000602529568 1036493333 /nfs/dbraw/zinc/49/33/33/1036493333.db2.gz QEMJBBFGMROITK-HNNXBMFYSA-N 1 0 339.414 4.107 20 30 EIEDRO CCC(CC)(C[NH2+][C@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602558769 1036496455 /nfs/dbraw/zinc/49/64/55/1036496455.db2.gz DYAURJGPDYYXGC-GOSISDBHSA-N 1 0 328.500 4.433 20 30 EIEDRO CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000602533702 1036497328 /nfs/dbraw/zinc/49/73/28/1036497328.db2.gz RANNDYWMLPPTMA-IEBWSBKVSA-N 1 0 338.499 4.037 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000602610238 1036526402 /nfs/dbraw/zinc/52/64/02/1036526402.db2.gz HMMAOJMRTNECGL-RDJZCZTQSA-N 1 0 339.508 4.445 20 30 EIEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602633805 1036549651 /nfs/dbraw/zinc/54/96/51/1036549651.db2.gz ZQYXZINGGPFOTC-NWDGAFQWSA-N 1 0 325.250 4.048 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000602699971 1036576033 /nfs/dbraw/zinc/57/60/33/1036576033.db2.gz PTHIXTXXZSRFLS-WMLDXEAASA-N 1 0 346.446 4.116 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)n1 ZINC000602715071 1036588588 /nfs/dbraw/zinc/58/85/88/1036588588.db2.gz MRLWCMUOYYJVPU-UHFFFAOYSA-N 1 0 331.341 4.141 20 30 EIEDRO N#CC1CCC([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000602730588 1036601089 /nfs/dbraw/zinc/60/10/89/1036601089.db2.gz QZKGNCWFDHURND-QJLPXFQTSA-N 1 0 327.255 4.089 20 30 EIEDRO N#CCC1(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000602798554 1036626014 /nfs/dbraw/zinc/62/60/14/1036626014.db2.gz QMRNHMYNAJAYHH-NSHDSACASA-N 1 0 329.391 4.035 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000060892799 1036629432 /nfs/dbraw/zinc/62/94/32/1036629432.db2.gz OHROBCBLGTVOCH-LJQANCHMSA-N 1 0 339.483 4.322 20 30 EIEDRO C[C@H](c1cc(F)ccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911082 1036662714 /nfs/dbraw/zinc/66/27/14/1036662714.db2.gz WFTDPYLMLXRLJN-CYBMUJFWSA-N 1 0 327.378 4.172 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909728 1036663624 /nfs/dbraw/zinc/66/36/24/1036663624.db2.gz MOQRHKXROJAWLQ-UHFFFAOYSA-N 1 0 344.462 4.134 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602924944 1036668690 /nfs/dbraw/zinc/66/86/90/1036668690.db2.gz KYADNTWNOQMNQI-INIZCTEOSA-N 1 0 326.843 4.212 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000907676563 1036692013 /nfs/dbraw/zinc/69/20/13/1036692013.db2.gz KKGZGCUVPBCVPA-PKOBYXMFSA-N 1 0 326.484 4.494 20 30 EIEDRO N#Cc1ccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)s1 ZINC000589195103 1036706026 /nfs/dbraw/zinc/70/60/26/1036706026.db2.gz LHSNIDVSONOKFL-UHFFFAOYSA-N 1 0 333.460 4.260 20 30 EIEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598602292 1036706825 /nfs/dbraw/zinc/70/68/25/1036706825.db2.gz MXMFKGLOJZSGFT-SJLPKXTDSA-N 1 0 332.488 4.063 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000598590813 1036710001 /nfs/dbraw/zinc/71/00/01/1036710001.db2.gz QJZPDRSNQCUFSF-LJQANCHMSA-N 1 0 336.479 4.320 20 30 EIEDRO N#CC(CC[NH2+][C@H](CO)C1CCCC1)(c1ccccc1)c1ccccc1 ZINC000589305467 1036722724 /nfs/dbraw/zinc/72/27/24/1036722724.db2.gz YHLXDUMZDTYTON-JOCHJYFZSA-N 1 0 348.490 4.027 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)CC2 ZINC000589337161 1036737672 /nfs/dbraw/zinc/73/76/72/1036737672.db2.gz MCJYKLCVINICFN-SFHVURJKSA-N 1 0 330.353 4.397 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000598700732 1036751252 /nfs/dbraw/zinc/75/12/52/1036751252.db2.gz PRJAMBBKROSSCG-NQIIRXRSSA-N 1 0 348.446 4.413 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000598721099 1036760114 /nfs/dbraw/zinc/76/01/14/1036760114.db2.gz SFIZAGDQOMKGIO-IRXDYDNUSA-N 1 0 348.899 4.381 20 30 EIEDRO CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725761 1036762957 /nfs/dbraw/zinc/76/29/57/1036762957.db2.gz ZQVCIHAEIHQJFF-QGZVFWFLSA-N 1 0 340.467 4.017 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@H]2CCCO2)c2ccc(F)cc2)s1 ZINC000421874375 1036828214 /nfs/dbraw/zinc/82/82/14/1036828214.db2.gz IGONOSIKKORQOF-CRAIPNDOSA-N 1 0 330.428 4.159 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC23CCCCC3)cc1OCCCC#N ZINC000598983306 1036841328 /nfs/dbraw/zinc/84/13/28/1036841328.db2.gz DWNLRYLIPSCOME-LJQANCHMSA-N 1 0 328.456 4.190 20 30 EIEDRO Cc1cccc2[nH]c(C[NH2+]C3(c4ccc(C#N)cc4)CCOCC3)cc21 ZINC000599005241 1036844306 /nfs/dbraw/zinc/84/43/06/1036844306.db2.gz NZKUUKPLBTVUKH-UHFFFAOYSA-N 1 0 345.446 4.144 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000589597062 1036852399 /nfs/dbraw/zinc/85/23/99/1036852399.db2.gz MRWWMKGGLNBXJG-UHFFFAOYSA-N 1 0 336.479 4.261 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1Cl ZINC000589634854 1036853852 /nfs/dbraw/zinc/85/38/52/1036853852.db2.gz IDTDVNWHFIMPIH-LJQANCHMSA-N 1 0 344.886 4.297 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000027449493 1036855372 /nfs/dbraw/zinc/85/53/72/1036855372.db2.gz PWBYUCWTQGZWCL-KBXCAEBGSA-N 1 0 339.439 4.082 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)c(OC)c1 ZINC000486792794 1036856048 /nfs/dbraw/zinc/85/60/48/1036856048.db2.gz HAJRNNNJTCPTAH-FQEVSTJZSA-N 1 0 336.435 4.221 20 30 EIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2cc(F)ccc2O1 ZINC000593673743 1036873182 /nfs/dbraw/zinc/87/31/82/1036873182.db2.gz ISWKLSIFHYFRRC-KRWDZBQOSA-N 1 0 328.362 4.228 20 30 EIEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000593688326 1036885894 /nfs/dbraw/zinc/88/58/94/1036885894.db2.gz OOULUXPNCBJCFB-IERDGZPVSA-N 1 0 349.478 4.029 20 30 EIEDRO Cc1ccc(N(C)[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)cc1 ZINC001168414788 1036892255 /nfs/dbraw/zinc/89/22/55/1036892255.db2.gz UAYNYWVVRKIGAS-QGZVFWFLSA-N 1 0 325.481 4.029 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccc4occc4c3)CC2)c1 ZINC000593692738 1036893308 /nfs/dbraw/zinc/89/33/08/1036893308.db2.gz JCOIXAXIOTWRRL-UHFFFAOYSA-N 1 0 345.446 4.059 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cscc3Cl)CC2)c1 ZINC000593692299 1036896592 /nfs/dbraw/zinc/89/65/92/1036896592.db2.gz ADUWFYRPZBLSER-UHFFFAOYSA-N 1 0 345.899 4.027 20 30 EIEDRO C[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695080 1036898613 /nfs/dbraw/zinc/89/86/13/1036898613.db2.gz HNNZKMOUCHULKU-DYESRHJHSA-N 1 0 325.500 4.081 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1OCCc2sccc21 ZINC000589949228 1036899182 /nfs/dbraw/zinc/89/91/82/1036899182.db2.gz VTPJFGMEAGVBEO-VIZZQPHQSA-N 1 0 338.476 4.289 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cs1 ZINC000593724634 1036947954 /nfs/dbraw/zinc/94/79/54/1036947954.db2.gz DTVJBNVHWRGNNM-INIZCTEOSA-N 1 0 339.508 4.243 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccccc1Oc1ccccc1 ZINC000599350749 1036962165 /nfs/dbraw/zinc/96/21/65/1036962165.db2.gz ZBJIJOATUABBMD-IAGOWNOFSA-N 1 0 336.435 4.184 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C2CC2)c1 ZINC000590242940 1037017629 /nfs/dbraw/zinc/01/76/29/1037017629.db2.gz FUXMCEOTHYFMLI-MRXNPFEDSA-N 1 0 346.478 4.150 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000590244688 1037020250 /nfs/dbraw/zinc/02/02/50/1037020250.db2.gz WNSBHHZVYMKDCT-GJYPPUQNSA-N 1 0 328.456 4.111 20 30 EIEDRO N#Cc1cccc(OCC[NH2+]C(c2ccccc2)c2ccccc2)c1 ZINC000603838255 1037020963 /nfs/dbraw/zinc/02/09/63/1037020963.db2.gz RVQSKGPJEMACEX-UHFFFAOYSA-N 1 0 328.415 4.316 20 30 EIEDRO CC1(C)CCC(C)(C)[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000599538570 1037066783 /nfs/dbraw/zinc/06/67/83/1037066783.db2.gz PGBZPPPZJRHFHN-UHFFFAOYSA-N 1 0 345.512 4.141 20 30 EIEDRO CCOCCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000603926140 1037091205 /nfs/dbraw/zinc/09/12/05/1037091205.db2.gz HXDRXBCUUFFBOT-UHFFFAOYSA-N 1 0 326.415 4.126 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@H](c2cccc(C)c2)C(C)C)c(C#N)c1C ZINC000599626398 1037099567 /nfs/dbraw/zinc/09/95/67/1037099567.db2.gz FRHDIIZRELNOLY-IBGZPJMESA-N 1 0 339.439 4.002 20 30 EIEDRO Cc1cccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)C(C)C)c1 ZINC000599626808 1037100547 /nfs/dbraw/zinc/10/05/47/1037100547.db2.gz HKPAVCUCEWRHKW-OXJNMPFZSA-N 1 0 335.451 4.181 20 30 EIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676349 1037118581 /nfs/dbraw/zinc/11/85/81/1037118581.db2.gz AZSRRTXLMUEUDY-OAHLLOKOSA-N 1 0 335.407 4.089 20 30 EIEDRO COC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000590646088 1037130987 /nfs/dbraw/zinc/13/09/87/1037130987.db2.gz HGQSHENHJMQTOQ-AQFXKWCLSA-N 1 0 340.389 4.455 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000590646852 1037131081 /nfs/dbraw/zinc/13/10/81/1037131081.db2.gz LWZIPIJRBLLTMB-OALUTQOASA-N 1 0 347.506 4.304 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000590653789 1037132557 /nfs/dbraw/zinc/13/25/57/1037132557.db2.gz UXDNIGFMFDVSSH-CVEARBPZSA-N 1 0 328.337 4.240 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C/C=C/c2ccncc2)cc1 ZINC000487567511 1037152987 /nfs/dbraw/zinc/15/29/87/1037152987.db2.gz XNOFDAYOLMUFPW-ONEGZZNKSA-N 1 0 325.415 4.423 20 30 EIEDRO CC1(C#N)CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000272567178 1037225207 /nfs/dbraw/zinc/22/52/07/1037225207.db2.gz MMTLVJMUHIACMG-UHFFFAOYSA-N 1 0 332.403 4.072 20 30 EIEDRO C=CCC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000467305369 1037302926 /nfs/dbraw/zinc/30/29/26/1037302926.db2.gz SGFKMOHYFXDNBU-HXUWFJFHSA-N 1 0 342.870 4.054 20 30 EIEDRO CC[N@H+](Cc1cn2cc(Cl)ccc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000604272004 1037323456 /nfs/dbraw/zinc/32/34/56/1037323456.db2.gz ZOEYVXHZSBJBHP-AWEZNQCLSA-N 1 0 338.842 4.442 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c(-c2ccccc2)n1 ZINC000591267753 1037353450 /nfs/dbraw/zinc/35/34/50/1037353450.db2.gz KVPLHTXKDUEQKR-LJQANCHMSA-N 1 0 334.467 4.086 20 30 EIEDRO N#CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000273106668 1037361062 /nfs/dbraw/zinc/36/10/62/1037361062.db2.gz WUCWQKKAMYTBCT-UHFFFAOYSA-N 1 0 336.464 4.053 20 30 EIEDRO C[C@@H]1C[C@@H](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC000273157747 1037369478 /nfs/dbraw/zinc/36/94/78/1037369478.db2.gz JRIXLURPEKGUSO-BDWAOYLISA-N 1 0 326.484 4.185 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC2CCCCC2)C(C)(C)C)CC1 ZINC000604652983 1037466539 /nfs/dbraw/zinc/46/65/39/1037466539.db2.gz USPASAVNLSIVQI-LJQANCHMSA-N 1 0 349.563 4.321 20 30 EIEDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573413349 1037500691 /nfs/dbraw/zinc/50/06/91/1037500691.db2.gz VOQKNELQJCILPH-CZUORRHYSA-N 1 0 340.389 4.093 20 30 EIEDRO C=CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000061758847 1037529405 /nfs/dbraw/zinc/52/94/05/1037529405.db2.gz KRDNPRWGSGUXPG-UHFFFAOYSA-N 1 0 332.856 4.340 20 30 EIEDRO CC(C)[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CS1 ZINC000488429521 1037589236 /nfs/dbraw/zinc/58/92/36/1037589236.db2.gz ISKWFVVPPZNZCH-NIAPBTPMSA-N 1 0 344.524 4.368 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H](C)c1cccs1)C(C)C ZINC000503410122 1037740341 /nfs/dbraw/zinc/74/03/41/1037740341.db2.gz WGUXCBILOKYFIJ-IAGOWNOFSA-N 1 0 349.544 4.149 20 30 EIEDRO COc1cccc(C=C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000760934748 1037740893 /nfs/dbraw/zinc/74/08/93/1037740893.db2.gz BQSKBXHOVDYUKF-UHFFFAOYSA-N 1 0 348.446 4.277 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H](C)c1cccs1)C(C)C ZINC000503410124 1037742011 /nfs/dbraw/zinc/74/20/11/1037742011.db2.gz WGUXCBILOKYFIJ-SJORKVTESA-N 1 0 349.544 4.149 20 30 EIEDRO N#CC1(CCC[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)CCOCC1 ZINC000592186706 1037742343 /nfs/dbraw/zinc/74/23/43/1037742343.db2.gz GUJRITHNTNQIGA-FQEVSTJZSA-N 1 0 336.479 4.480 20 30 EIEDRO CCCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2ncsc2C1 ZINC000592188411 1037744664 /nfs/dbraw/zinc/74/46/64/1037744664.db2.gz PAHXCUWDDVHJHK-QGZVFWFLSA-N 1 0 325.481 4.174 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1CC)C(C)C ZINC000503432817 1037757311 /nfs/dbraw/zinc/75/73/11/1037757311.db2.gz AGMUNFAUAWIUBT-LJQANCHMSA-N 1 0 329.488 4.069 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1c(C)cccc1C)C(C)C ZINC000503438894 1037760041 /nfs/dbraw/zinc/76/00/41/1037760041.db2.gz QABWRSTUHHWOHE-GOSISDBHSA-N 1 0 329.488 4.124 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H](C)c1ccccc1)C(C)C ZINC000503435923 1037760261 /nfs/dbraw/zinc/76/02/61/1037760261.db2.gz JGMOWPQJEYMOOH-QUCCMNQESA-N 1 0 343.515 4.088 20 30 EIEDRO COc1ccccc1C1([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000592373962 1037776034 /nfs/dbraw/zinc/77/60/34/1037776034.db2.gz FJBQJKUPBLXSFQ-UHFFFAOYSA-N 1 0 336.435 4.157 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000592392603 1037784801 /nfs/dbraw/zinc/78/48/01/1037784801.db2.gz SXRSRGQDZWTBTI-YUELXQCFSA-N 1 0 327.859 4.351 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cn2)c2cccc(Br)c21 ZINC000783300223 1037793836 /nfs/dbraw/zinc/79/38/36/1037793836.db2.gz KRLCASLUWFJLJE-ZBEGNZNMSA-N 1 0 342.240 4.054 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000503582358 1037820710 /nfs/dbraw/zinc/82/07/10/1037820710.db2.gz YWVJNESPBTVHNI-CYBMUJFWSA-N 1 0 329.241 4.214 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)C(CC)CC)CC1 ZINC000592494497 1037820800 /nfs/dbraw/zinc/82/08/00/1037820800.db2.gz XVGYYTYZPBHROJ-HXUWFJFHSA-N 1 0 343.515 4.114 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccccc1Br ZINC000503573453 1037823808 /nfs/dbraw/zinc/82/38/08/1037823808.db2.gz KZKCOYQPSGHJFZ-ZDUSSCGKSA-N 1 0 329.241 4.214 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2cccc(F)c2F)ccc1OC ZINC000489069736 1037849314 /nfs/dbraw/zinc/84/93/14/1037849314.db2.gz PKQAGIPTGMMYRF-UHFFFAOYSA-N 1 0 347.405 4.261 20 30 EIEDRO C=CCCCN(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000605834896 1037864696 /nfs/dbraw/zinc/86/46/96/1037864696.db2.gz TYUZYCCNFPXPNY-QGZVFWFLSA-N 1 0 349.544 4.129 20 30 EIEDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(C[C@@H](C#N)CO)c2)cc1 ZINC000592987358 1037896550 /nfs/dbraw/zinc/89/65/50/1037896550.db2.gz YVJGZIGXSGWNQE-XLIONFOSSA-N 1 0 334.463 4.012 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363607 1037913411 /nfs/dbraw/zinc/91/34/11/1037913411.db2.gz FZNQCAOZNJBXHH-GCJKJVERSA-N 1 0 345.490 4.406 20 30 EIEDRO C=CCn1c(SCC[C@@H]2CCCC[N@H+]2C)nnc1-c1cccs1 ZINC000489403027 1038019335 /nfs/dbraw/zinc/01/93/35/1038019335.db2.gz YHMQKDJTNMOHIS-AWEZNQCLSA-N 1 0 348.541 4.159 20 30 EIEDRO Cc1ccc(CNC(NCCc2ccccc2)=[NH+]C(C)(C)C)s1 ZINC000912506053 1038030154 /nfs/dbraw/zinc/03/01/54/1038030154.db2.gz HAZNNMQEGQHLDL-UHFFFAOYSA-N 1 0 329.513 4.133 20 30 EIEDRO N#C[C@H]1CCC[C@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000593677557 1038123269 /nfs/dbraw/zinc/12/32/69/1038123269.db2.gz ASMGHXLYJGVFHY-WMZOPIPTSA-N 1 0 329.513 4.369 20 30 EIEDRO CCCC[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000029118066 1038209315 /nfs/dbraw/zinc/20/93/15/1038209315.db2.gz GSTMJVRGUOPUIM-UHFFFAOYSA-N 1 0 348.428 4.038 20 30 EIEDRO Cc1cc(-n2ccnc2)ccc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033090 1038227933 /nfs/dbraw/zinc/22/79/33/1038227933.db2.gz HNKLKLDXWNCOGB-UHFFFAOYSA-N 1 0 342.446 4.221 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc(OC(F)F)c3)CCC2)cc1 ZINC000594031879 1038228732 /nfs/dbraw/zinc/22/87/32/1038228732.db2.gz MWOYUCYDNPXVTF-UHFFFAOYSA-N 1 0 328.362 4.329 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594020408 1038235628 /nfs/dbraw/zinc/23/56/28/1038235628.db2.gz XERVOWAACAMEPW-UHFFFAOYSA-N 1 0 342.446 4.190 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Br)cc3)CCC2)cc1 ZINC000594032758 1038241122 /nfs/dbraw/zinc/24/11/22/1038241122.db2.gz OGDPEDJQHIVTNH-UHFFFAOYSA-N 1 0 341.252 4.490 20 30 EIEDRO CC[NH+](CC)[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000912777445 1038291279 /nfs/dbraw/zinc/29/12/79/1038291279.db2.gz DKKGWRWJAICFSK-VQYZLWMVSA-N 1 0 347.462 4.442 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3CC3CCCC3)o2)c1 ZINC000594052954 1038295872 /nfs/dbraw/zinc/29/58/72/1038295872.db2.gz KBLFFNSJNUFYEY-SFHVURJKSA-N 1 0 336.439 4.153 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccccc1 ZINC000574582761 1038298843 /nfs/dbraw/zinc/29/88/43/1038298843.db2.gz WDJRMRSSXFJPKK-HXUWFJFHSA-N 1 0 332.447 4.336 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490058785 1038327271 /nfs/dbraw/zinc/32/72/71/1038327271.db2.gz SWFVNEKFZWCIAJ-QGZVFWFLSA-N 1 0 335.451 4.106 20 30 EIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000490064680 1038328911 /nfs/dbraw/zinc/32/89/11/1038328911.db2.gz QJKAWICVIXNMNL-SFHVURJKSA-N 1 0 332.806 4.170 20 30 EIEDRO Cc1cnc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c(C)c1 ZINC000594509037 1038342896 /nfs/dbraw/zinc/34/28/96/1038342896.db2.gz HGZWVVJMOHTVNC-UHFFFAOYSA-N 1 0 333.479 4.235 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000594493426 1038344240 /nfs/dbraw/zinc/34/42/40/1038344240.db2.gz NIAYBAACLYXAIK-UHFFFAOYSA-N 1 0 347.506 4.242 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000594494380 1038345022 /nfs/dbraw/zinc/34/50/22/1038345022.db2.gz YUJIQGUFUSRIKR-UHFFFAOYSA-N 1 0 330.378 4.379 20 30 EIEDRO CCOc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)ccc1OC ZINC000594503433 1038351929 /nfs/dbraw/zinc/35/19/29/1038351929.db2.gz WGAKYEIICWKDCJ-UHFFFAOYSA-N 1 0 338.451 4.185 20 30 EIEDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000594518447 1038361013 /nfs/dbraw/zinc/36/10/13/1038361013.db2.gz JHVXOAFCGQTEOJ-JOCHJYFZSA-N 1 0 342.446 4.138 20 30 EIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CCC2)cc1 ZINC000594518190 1038361782 /nfs/dbraw/zinc/36/17/82/1038361782.db2.gz MXEOGNRBQDUILG-SFHVURJKSA-N 1 0 333.391 4.123 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(OC(F)F)c(F)c3)CCC2)cc1 ZINC000594520856 1038361814 /nfs/dbraw/zinc/36/18/14/1038361814.db2.gz QFKQYEQZYULMEG-UHFFFAOYSA-N 1 0 346.352 4.468 20 30 EIEDRO C=C(Br)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000168206408 1038362872 /nfs/dbraw/zinc/36/28/72/1038362872.db2.gz HJWIABOJRNAKCC-UHFFFAOYSA-N 1 0 345.078 4.193 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)cc1 ZINC000594521483 1038363295 /nfs/dbraw/zinc/36/32/95/1038363295.db2.gz RZPLUOMAEFEUFP-HXUWFJFHSA-N 1 0 340.492 4.127 20 30 EIEDRO Cc1nn(-c2ccccc2)cc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594521340 1038363564 /nfs/dbraw/zinc/36/35/64/1038363564.db2.gz ULLWKYXRAHUJDK-UHFFFAOYSA-N 1 0 342.446 4.221 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000594611883 1038383731 /nfs/dbraw/zinc/38/37/31/1038383731.db2.gz OSCVTPSNGFKNCM-HOTGVXAUSA-N 1 0 326.362 4.014 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 ZINC000008173616 1038396788 /nfs/dbraw/zinc/39/67/88/1038396788.db2.gz IXVDYHZCMNDFGL-LLVKDONJSA-N 1 0 348.233 4.154 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1CNc1c(F)cc(C#N)cc1F ZINC000063508244 1038409750 /nfs/dbraw/zinc/40/97/50/1038409750.db2.gz ZSASBPAWWJQZBM-UHFFFAOYSA-N 1 0 329.394 4.290 20 30 EIEDRO CC[C@](C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nc(C)cs1 ZINC000594920849 1038424719 /nfs/dbraw/zinc/42/47/19/1038424719.db2.gz IBFNKTOBIIEYGA-SFHVURJKSA-N 1 0 325.481 4.422 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccccc3OC(F)F)cc2)CC1 ZINC000594915133 1038426293 /nfs/dbraw/zinc/42/62/93/1038426293.db2.gz OSDUTSJXFCTKDV-UHFFFAOYSA-N 1 0 328.362 4.133 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594925307 1038428837 /nfs/dbraw/zinc/42/88/37/1038428837.db2.gz VTHPRCCCWMLXNC-UHFFFAOYSA-N 1 0 347.487 4.136 20 30 EIEDRO CN(CCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594927680 1038431516 /nfs/dbraw/zinc/43/15/16/1038431516.db2.gz QHHNPQMZKBTUML-UHFFFAOYSA-N 1 0 333.479 4.248 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CCc2ccc(C)o2)cc1OC ZINC000608065155 1038475314 /nfs/dbraw/zinc/47/53/14/1038475314.db2.gz VCUZSTNOJKKDLM-OAHLLOKOSA-N 1 0 329.440 4.272 20 30 EIEDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000594934386 1038494645 /nfs/dbraw/zinc/49/46/45/1038494645.db2.gz GHORBATXBCFJOB-UHFFFAOYSA-N 1 0 342.446 4.126 20 30 EIEDRO Cc1c(Br)cncc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000594951241 1038523151 /nfs/dbraw/zinc/52/31/51/1038523151.db2.gz FFRXUPCGYOPFOG-QGZVFWFLSA-N 1 0 344.256 4.287 20 30 EIEDRO CCCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CC1 ZINC000063615873 1038615021 /nfs/dbraw/zinc/61/50/21/1038615021.db2.gz KCVVGXDUDLQLIK-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424163628 1038698205 /nfs/dbraw/zinc/69/82/05/1038698205.db2.gz AKYTZGBETSPSEO-QZTJIDSGSA-N 1 0 347.890 4.051 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000424165752 1038712621 /nfs/dbraw/zinc/71/26/21/1038712621.db2.gz BBSNEWQBCCZYJY-SRVKXCTJSA-N 1 0 330.291 4.061 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000424208614 1038738746 /nfs/dbraw/zinc/73/87/46/1038738746.db2.gz YHGXQFVKRZEDRG-TVQRCGJNSA-N 1 0 347.178 4.250 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000424297913 1038774535 /nfs/dbraw/zinc/77/45/35/1038774535.db2.gz RISVQPREUPHBOU-BVSLBCMMSA-N 1 0 337.463 4.160 20 30 EIEDRO C=CCCOCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000539053784 1038800665 /nfs/dbraw/zinc/80/06/65/1038800665.db2.gz GZQMGXJPLHOYNT-QGZVFWFLSA-N 1 0 327.472 4.041 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000424323936 1038806378 /nfs/dbraw/zinc/80/63/78/1038806378.db2.gz JMTPAAAMLKTKPU-ZVWUFJHRSA-N 1 0 339.664 4.372 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000539061405 1038807541 /nfs/dbraw/zinc/80/75/41/1038807541.db2.gz LYXSQMCRTCDDEX-UHFFFAOYSA-N 1 0 332.447 4.211 20 30 EIEDRO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424326965 1038808044 /nfs/dbraw/zinc/80/80/44/1038808044.db2.gz MHGBVEDBXYGTAW-XOKHGSTOSA-N 1 0 325.481 4.385 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000461903413 1038808149 /nfs/dbraw/zinc/80/81/49/1038808149.db2.gz SXNISUFALKPUMW-INIZCTEOSA-N 1 0 335.451 4.142 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC001168317203 1038824115 /nfs/dbraw/zinc/82/41/15/1038824115.db2.gz LMAWDIZKKRDYPG-UHFFFAOYSA-N 1 0 345.918 4.300 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1cncs1 ZINC000539078930 1038824779 /nfs/dbraw/zinc/82/47/79/1038824779.db2.gz CXUWUDPOFIWTQB-JEYLPNPQSA-N 1 0 327.453 4.056 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccc(Br)s2)C2CC2)C1 ZINC000424337065 1038827907 /nfs/dbraw/zinc/82/79/07/1038827907.db2.gz YSBAZVVHQZNKGW-DRCTWCGVSA-N 1 0 325.275 4.244 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000174091499 1038841711 /nfs/dbraw/zinc/84/17/11/1038841711.db2.gz DJGZJCHKGLFHJA-BEFAXECRSA-N 1 0 349.434 4.099 20 30 EIEDRO C=C(C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000504905626 1038846585 /nfs/dbraw/zinc/84/65/85/1038846585.db2.gz LMVJMUZDDUZGIP-OAHLLOKOSA-N 1 0 326.396 4.358 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccccc2OC2CCCC2)cc1C#N ZINC000174280516 1038892312 /nfs/dbraw/zinc/89/23/12/1038892312.db2.gz RHZYDPNYVOXHCC-UHFFFAOYSA-N 1 0 336.435 4.178 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000505024579 1038894126 /nfs/dbraw/zinc/89/41/26/1038894126.db2.gz VFSXCUWKQYJEDG-UHFFFAOYSA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000505057869 1038928350 /nfs/dbraw/zinc/92/83/50/1038928350.db2.gz MPULREKFDBEQKH-SJORKVTESA-N 1 0 329.488 4.190 20 30 EIEDRO Cc1cc(NCC(C)(C)CCC#N)ccc1OCC[NH+]1CCCC1 ZINC000174409948 1038933979 /nfs/dbraw/zinc/93/39/79/1038933979.db2.gz YGDDWGIESYFPMB-UHFFFAOYSA-N 1 0 329.488 4.212 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000505061052 1038934557 /nfs/dbraw/zinc/93/45/57/1038934557.db2.gz IXBYNPZLNVKENB-HXUWFJFHSA-N 1 0 337.467 4.230 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000174436102 1038960216 /nfs/dbraw/zinc/96/02/16/1038960216.db2.gz ILJJIWGUGGOAEW-SJORKVTESA-N 1 0 346.434 4.014 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000539333580 1038979458 /nfs/dbraw/zinc/97/94/58/1038979458.db2.gz HQJUUZMCENNALF-GHTZIAJQSA-N 1 0 339.866 4.449 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1 ZINC000174542080 1038996063 /nfs/dbraw/zinc/99/60/63/1038996063.db2.gz URCRSGXIRIBFMF-SFHVURJKSA-N 1 0 326.465 4.095 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)Sc2ccccc2)cc1 ZINC000174608127 1039009521 /nfs/dbraw/zinc/00/95/21/1039009521.db2.gz GVBCGIRXUKAYHG-CVEARBPZSA-N 1 0 326.465 4.248 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424689660 1039014966 /nfs/dbraw/zinc/01/49/66/1039014966.db2.gz XGKXTSUHQTUYCX-PKOBYXMFSA-N 1 0 328.500 4.100 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539388999 1039044447 /nfs/dbraw/zinc/04/44/47/1039044447.db2.gz VZFHFAJYJDFDOR-NSHGMRRFSA-N 1 0 343.515 4.084 20 30 EIEDRO C[C@@]1(F)CCC[N@H+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001232893746 1039046349 /nfs/dbraw/zinc/04/63/49/1039046349.db2.gz OGRCJSZVWUIVAE-OAHLLOKOSA-N 1 0 325.225 4.035 20 30 EIEDRO CC[N@H+](Cc1cc(Br)ccc1F)[C@H]1CC[C@H](C#N)C1 ZINC000555334209 1039067224 /nfs/dbraw/zinc/06/72/24/1039067224.db2.gz PZWVNAQRFQZPPX-FZMZJTMJSA-N 1 0 325.225 4.102 20 30 EIEDRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000537628508 1039069265 /nfs/dbraw/zinc/06/92/65/1039069265.db2.gz LAYKQMLFWANOAY-NRFANRHFSA-N 1 0 332.451 4.344 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C)cc1N1CCOCC1)c1ccco1 ZINC000552057894 1039076321 /nfs/dbraw/zinc/07/63/21/1039076321.db2.gz LTUPHYAZNNYACY-LJQANCHMSA-N 1 0 340.467 4.222 20 30 EIEDRO Cc1ccc(C[N@@H+](C)Cc2ccc(Br)c(C#N)c2)cc1 ZINC001232895291 1039083995 /nfs/dbraw/zinc/08/39/95/1039083995.db2.gz LBTPINAODBTAEF-UHFFFAOYSA-N 1 0 329.241 4.261 20 30 EIEDRO C[C@@H]1CSCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537630442 1039166344 /nfs/dbraw/zinc/16/63/44/1039166344.db2.gz WZYOVTRSTPRLFJ-MRXNPFEDSA-N 1 0 338.476 4.075 20 30 EIEDRO C=C(C)C[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000481250346 1039167497 /nfs/dbraw/zinc/16/74/97/1039167497.db2.gz CQIQHJCXUPTESR-FQEVSTJZSA-N 1 0 342.870 4.054 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)C1CC1 ZINC000121132681 1039315167 /nfs/dbraw/zinc/31/51/67/1039315167.db2.gz IMDOUZYQUWCIQA-NRFANRHFSA-N 1 0 329.484 4.217 20 30 EIEDRO COc1ccc(C#N)cc1C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481343710 1039322757 /nfs/dbraw/zinc/32/27/57/1039322757.db2.gz RMEZFSNYXWXHKV-FQEVSTJZSA-N 1 0 349.478 4.497 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)c(F)c1 ZINC000600161408 1039346318 /nfs/dbraw/zinc/34/63/18/1039346318.db2.gz YVRSXKQMPDMOMR-UHFFFAOYSA-N 1 0 349.409 4.222 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481378606 1039365433 /nfs/dbraw/zinc/36/54/33/1039365433.db2.gz LDLRRYXSZYUIGP-DJJJIMSYSA-N 1 0 344.842 4.086 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481399942 1039376137 /nfs/dbraw/zinc/37/61/37/1039376137.db2.gz BEKFZNVRCDUYQH-BFUOFWGJSA-N 1 0 344.842 4.086 20 30 EIEDRO C=C(C)[C@H](CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)OCC ZINC000534404441 1039393413 /nfs/dbraw/zinc/39/34/13/1039393413.db2.gz BIEUDBLHTFHLQM-PXNSSMCTSA-N 1 0 344.499 4.371 20 30 EIEDRO CCCC[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCC[C@@H](C)C1 ZINC000555679297 1039519259 /nfs/dbraw/zinc/51/92/59/1039519259.db2.gz PANGZVXCFFWDRJ-ZBFHGGJFSA-N 1 0 333.501 4.239 20 30 EIEDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000550832261 1039528291 /nfs/dbraw/zinc/52/82/91/1039528291.db2.gz CZBWNGVNPLLPBC-FXAWDEMLSA-N 1 0 335.451 4.428 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc(F)c1F ZINC001143610271 1039550432 /nfs/dbraw/zinc/55/04/32/1039550432.db2.gz VBAVQTOYKQTMKK-SFHVURJKSA-N 1 0 342.389 4.188 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000093665870 1039728504 /nfs/dbraw/zinc/72/85/04/1039728504.db2.gz VHCYOYGGAGLJMF-OAQYLSRUSA-N 1 0 342.483 4.293 20 30 EIEDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000534729808 1039741064 /nfs/dbraw/zinc/74/10/64/1039741064.db2.gz VCSUKOKEZPVAJZ-PZJWPPBQSA-N 1 0 341.499 4.001 20 30 EIEDRO C=CCOc1ccc(C[N@H+](CCc2nccs2)C(C)C)cc1OC ZINC000093764236 1039746299 /nfs/dbraw/zinc/74/62/99/1039746299.db2.gz RZOKPVMALGKGHG-UHFFFAOYSA-N 1 0 346.496 4.170 20 30 EIEDRO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425120929 1039759455 /nfs/dbraw/zinc/75/94/55/1039759455.db2.gz BLNGWRDVAPYWEK-KRWDZBQOSA-N 1 0 349.478 4.233 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](OC)c2ccccc2)ccc1OC ZINC000060948791 1039779106 /nfs/dbraw/zinc/77/91/06/1039779106.db2.gz ZXLZHAHAKZZNGH-OAQYLSRUSA-N 1 0 341.451 4.127 20 30 EIEDRO CC[C@H](C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730777 1039793881 /nfs/dbraw/zinc/79/38/81/1039793881.db2.gz DHGGJDPMMCLOEY-ZWKOTPCHSA-N 1 0 349.478 4.401 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000434783492 1039869108 /nfs/dbraw/zinc/86/91/08/1039869108.db2.gz AWWDUDSXBKAZNJ-HNNXBMFYSA-N 1 0 339.414 4.109 20 30 EIEDRO CC[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(C#N)c1 ZINC000926904335 1039972546 /nfs/dbraw/zinc/97/25/46/1039972546.db2.gz GNHZODRAJBSUSO-JYJNAYRXSA-N 1 0 326.362 4.099 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CC[C@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000434986187 1039981394 /nfs/dbraw/zinc/98/13/94/1039981394.db2.gz NDYUBXWLBJBMOL-NRFANRHFSA-N 1 0 342.446 4.411 20 30 EIEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)OCC ZINC000535124569 1039981752 /nfs/dbraw/zinc/98/17/52/1039981752.db2.gz DAOUHLZTZXGPRY-HXUWFJFHSA-N 1 0 344.499 4.025 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(F)c(Br)c3)CC2)c1 ZINC000551227072 1040069401 /nfs/dbraw/zinc/06/94/01/1040069401.db2.gz GRWUESQCWMIHAD-UHFFFAOYSA-N 1 0 345.215 4.239 20 30 EIEDRO C=C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000535439882 1040273181 /nfs/dbraw/zinc/27/31/81/1040273181.db2.gz IXCGNLWLTCWDNB-UNMCSNQZSA-N 1 0 348.490 4.079 20 30 EIEDRO CC[C@H](C[N@H+](CC)Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000482516897 1040311153 /nfs/dbraw/zinc/31/11/53/1040311153.db2.gz ZQHXGNQTFQZMRN-GOSISDBHSA-N 1 0 332.451 4.222 20 30 EIEDRO N#Cc1ccccc1OCC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC001167958839 1040335295 /nfs/dbraw/zinc/33/52/95/1040335295.db2.gz KXQKQFMZQUWIRH-UHFFFAOYSA-N 1 0 344.414 4.255 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccs1 ZINC000160140811 1040372787 /nfs/dbraw/zinc/37/27/87/1040372787.db2.gz SGQHZYCECDWGIY-DZGCQCFKSA-N 1 0 329.444 4.078 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](CC)CSc2ccc(Cl)cc2)CC1 ZINC000482638345 1040403529 /nfs/dbraw/zinc/40/35/29/1040403529.db2.gz ZMUWLENNXNMEQD-MRXNPFEDSA-N 1 0 338.948 4.451 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2cc(Cl)ccc2OC)CC1 ZINC000482636827 1040410795 /nfs/dbraw/zinc/41/07/95/1040410795.db2.gz NDJDFYPRVQKFCE-SFHVURJKSA-N 1 0 336.907 4.430 20 30 EIEDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000539495465 1040470531 /nfs/dbraw/zinc/47/05/31/1040470531.db2.gz SJVHOHGLIIFZTP-AVRDEDQJSA-N 1 0 333.479 4.354 20 30 EIEDRO C[C@H]1CCC[C@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000539495179 1040470627 /nfs/dbraw/zinc/47/06/27/1040470627.db2.gz GZHVHLBAZIMTKD-RBUKOAKNSA-N 1 0 339.527 4.329 20 30 EIEDRO CC#CCC[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000462319733 1040479101 /nfs/dbraw/zinc/47/91/01/1040479101.db2.gz ZNGVNXLDRCUNFC-UHFFFAOYSA-N 1 0 343.492 4.223 20 30 EIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000192755527 1040497776 /nfs/dbraw/zinc/49/77/76/1040497776.db2.gz PHMONSXDCYVGBE-OAHLLOKOSA-N 1 0 330.435 4.212 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc(C#N)c1 ZINC000539509406 1040501468 /nfs/dbraw/zinc/50/14/68/1040501468.db2.gz ZSHNEKCFZRYPAU-BBRMVZONSA-N 1 0 343.833 4.280 20 30 EIEDRO C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386257567 1040522284 /nfs/dbraw/zinc/52/22/84/1040522284.db2.gz FATQSCYVTVQLSN-RHSMWYFYSA-N 1 0 341.405 4.159 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000435732503 1040586498 /nfs/dbraw/zinc/58/64/98/1040586498.db2.gz PIZQOPPIKABSAG-DYESRHJHSA-N 1 0 339.483 4.067 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000435757793 1040613488 /nfs/dbraw/zinc/61/34/88/1040613488.db2.gz CFHNOHMNZCQEMF-IHPCNDPISA-N 1 0 343.515 4.208 20 30 EIEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000551823746 1040615021 /nfs/dbraw/zinc/61/50/21/1040615021.db2.gz VLBKONWBRLEFJH-UHFFFAOYSA-N 1 0 348.450 4.020 20 30 EIEDRO C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1cccc(C#N)c1 ZINC000539689238 1040701835 /nfs/dbraw/zinc/70/18/35/1040701835.db2.gz NGYUXZLHKGRICK-KURKYZTESA-N 1 0 349.478 4.341 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667566493 1040722995 /nfs/dbraw/zinc/72/29/95/1040722995.db2.gz HUAXOTBDNPJLHM-RTBURBONSA-N 1 0 341.499 4.049 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000667029837 1040734816 /nfs/dbraw/zinc/73/48/16/1040734816.db2.gz LPXNZUNVXFLXPK-GOSISDBHSA-N 1 0 341.499 4.049 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C(C)(C)C)cc1 ZINC000483150048 1040738669 /nfs/dbraw/zinc/73/86/69/1040738669.db2.gz FDISDVCYZZMRRQ-UHFFFAOYSA-N 1 0 337.467 4.262 20 30 EIEDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000554113512 1040808614 /nfs/dbraw/zinc/80/86/14/1040808614.db2.gz PYOOJBQARUTLII-INIZCTEOSA-N 1 0 348.425 4.351 20 30 EIEDRO C=CCN(Cc1ccc(Br)o1)Cc1ccc(OC)cc1 ZINC000483295374 1040808672 /nfs/dbraw/zinc/80/86/72/1040808672.db2.gz YEXLMZBHGQAJIM-UHFFFAOYSA-N 1 0 336.229 4.239 20 30 EIEDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000554243615 1040913003 /nfs/dbraw/zinc/91/30/03/1040913003.db2.gz OYXMUZHLLUAJAV-GFCCVEGCSA-N 1 0 341.318 4.284 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1OC ZINC000160987325 1040893464 /nfs/dbraw/zinc/89/34/64/1040893464.db2.gz IBKGQUGIIMKBNK-MRXNPFEDSA-N 1 0 329.465 4.489 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000537968052 1040974166 /nfs/dbraw/zinc/97/41/66/1040974166.db2.gz OKKRQOBCFRJGFR-LLVKDONJSA-N 1 0 346.784 4.236 20 30 EIEDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000462819072 1040997547 /nfs/dbraw/zinc/99/75/47/1040997547.db2.gz WMAAEHCQBGRNAI-XLIONFOSSA-N 1 0 337.442 4.265 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000462819073 1040998952 /nfs/dbraw/zinc/99/89/52/1040998952.db2.gz WMAAEHCQBGRNAI-YLJYHZDGSA-N 1 0 337.442 4.265 20 30 EIEDRO C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000436280465 1041024714 /nfs/dbraw/zinc/02/47/14/1041024714.db2.gz DTQFNGGYTLGFLM-DNVCBOLYSA-N 1 0 329.463 4.145 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000436281809 1041027161 /nfs/dbraw/zinc/02/71/61/1041027161.db2.gz FOGKSYFQDCXBIE-WWGRRREGSA-N 1 0 329.362 4.217 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000436283059 1041027608 /nfs/dbraw/zinc/02/76/08/1041027608.db2.gz IZKVLAORTMRMGY-YJLNNSPDSA-N 1 0 333.497 4.193 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)cc(Br)c1 ZINC000554364915 1041040914 /nfs/dbraw/zinc/04/09/14/1041040914.db2.gz SRKSMBGQYOVJMJ-MRXNPFEDSA-N 1 0 348.219 4.096 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554363063 1041041962 /nfs/dbraw/zinc/04/19/62/1041041962.db2.gz GDGQAQMFENVRFF-RDJZCZTQSA-N 1 0 329.444 4.226 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000483876936 1041064711 /nfs/dbraw/zinc/06/47/11/1041064711.db2.gz PAHAMPBZSZQLDK-SFHVURJKSA-N 1 0 349.544 4.129 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000436300185 1041069804 /nfs/dbraw/zinc/06/98/04/1041069804.db2.gz UIZWTXOVCNUPJD-BVSLBCMMSA-N 1 0 337.463 4.355 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000436307443 1041077754 /nfs/dbraw/zinc/07/77/54/1041077754.db2.gz NOWULGQGIPHVCQ-OGWOLHLISA-N 1 0 329.440 4.463 20 30 EIEDRO N#Cc1cccc(CN2CCC(Oc3ccccc3Cl)CC2)c1F ZINC000538133688 1041091762 /nfs/dbraw/zinc/09/17/62/1041091762.db2.gz ZDGPPVOOJJXWDK-UHFFFAOYSA-N 1 0 344.817 4.394 20 30 EIEDRO CC(C)(C)C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000538153393 1041094721 /nfs/dbraw/zinc/09/47/21/1041094721.db2.gz STHWMQHLFVUAOM-GOSISDBHSA-N 1 0 341.499 4.096 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC000484076891 1041107013 /nfs/dbraw/zinc/10/70/13/1041107013.db2.gz VLNMDPDCBHEQTP-OAHLLOKOSA-N 1 0 333.353 4.330 20 30 EIEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000538162031 1041108095 /nfs/dbraw/zinc/10/80/95/1041108095.db2.gz XMGPZHPDEIFSBK-LJQANCHMSA-N 1 0 341.499 4.015 20 30 EIEDRO CC[C@H](C)[C@@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000538186965 1041145883 /nfs/dbraw/zinc/14/58/83/1041145883.db2.gz DJPQVVARSFDIIE-ZRGWGRIASA-N 1 0 349.906 4.025 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000538261544 1041209665 /nfs/dbraw/zinc/20/96/65/1041209665.db2.gz UMMFNORNPDSPTL-APWZRJJASA-N 1 0 325.452 4.340 20 30 EIEDRO CN(C)c1ccccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000540175430 1041220831 /nfs/dbraw/zinc/22/08/31/1041220831.db2.gz FWEZEPCGNAZGRC-UHFFFAOYSA-N 1 0 333.479 4.246 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc(C)cc2)cc1 ZINC000480358202 1041242166 /nfs/dbraw/zinc/24/21/66/1041242166.db2.gz PZNHIKTZFDVYHR-JOCHJYFZSA-N 1 0 345.446 4.093 20 30 EIEDRO C=CC[N@@H+](CC(=O)Nc1cc(C)ccc1OC)CC1CCCCC1 ZINC000484485529 1041256831 /nfs/dbraw/zinc/25/68/31/1041256831.db2.gz ILYFUXFBYMDSRZ-UHFFFAOYSA-N 1 0 330.472 4.010 20 30 EIEDRO N#Cc1ccccc1Cn1cccc1CNc1cc2c(c[nH+]1)CCCC2 ZINC000461213533 1041292431 /nfs/dbraw/zinc/29/24/31/1041292431.db2.gz PLXFDZHNAKVMEH-UHFFFAOYSA-N 1 0 342.446 4.294 20 30 EIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538395910 1041312462 /nfs/dbraw/zinc/31/24/62/1041312462.db2.gz SNPPXAOPAUSQEP-IFMALSPDSA-N 1 0 339.527 4.471 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(C#N)c(F)c1 ZINC000538502519 1041381366 /nfs/dbraw/zinc/38/13/66/1041381366.db2.gz XSMYRLPFDQYTMW-IERDGZPVSA-N 1 0 337.442 4.185 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480557044 1041391384 /nfs/dbraw/zinc/39/13/84/1041391384.db2.gz RYHGCIFUSCGVCS-IRXDYDNUSA-N 1 0 345.918 4.298 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000538509024 1041396108 /nfs/dbraw/zinc/39/61/08/1041396108.db2.gz UEURJXTUVMPFKN-GJZGRUSLSA-N 1 0 326.415 4.378 20 30 EIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)Oc1cccc(F)c1 ZINC000538509769 1041398127 /nfs/dbraw/zinc/39/81/27/1041398127.db2.gz QNOAFSUENVVZJA-CXAGYDPISA-N 1 0 330.378 4.345 20 30 EIEDRO O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000463189534 1041405990 /nfs/dbraw/zinc/40/59/90/1041405990.db2.gz ARSPZKHXYWPKNM-XUVXKRRUSA-N 1 0 331.887 4.097 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1OC ZINC000540367076 1041417693 /nfs/dbraw/zinc/41/76/93/1041417693.db2.gz RFFDZMMOYOQTIN-HNNXBMFYSA-N 1 0 343.854 4.450 20 30 EIEDRO CCOCc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000538554775 1041419226 /nfs/dbraw/zinc/41/92/26/1041419226.db2.gz WRZCZZDGBZOIBO-UHFFFAOYSA-N 1 0 349.478 4.171 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cc1OC ZINC000540390803 1041423459 /nfs/dbraw/zinc/42/34/59/1041423459.db2.gz UTRXFWRIFXTJDA-HNNXBMFYSA-N 1 0 343.854 4.368 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463211395 1041424231 /nfs/dbraw/zinc/42/42/31/1041424231.db2.gz PUBFPFVXHKMXFS-OTWHNJEPSA-N 1 0 332.875 4.117 20 30 EIEDRO CCOc1cccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000538610408 1041448464 /nfs/dbraw/zinc/44/84/64/1041448464.db2.gz YYZWZDAKWIFURK-UHFFFAOYSA-N 1 0 343.430 4.309 20 30 EIEDRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000554848899 1041453704 /nfs/dbraw/zinc/45/37/04/1041453704.db2.gz RYGTVIGVUXCNRG-KGLIPLIRSA-N 1 0 341.842 4.198 20 30 EIEDRO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463281481 1041470918 /nfs/dbraw/zinc/47/09/18/1041470918.db2.gz KSMVQQSLSAOLFB-UIFIKXQLSA-N 1 0 339.527 4.131 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000540457687 1041478425 /nfs/dbraw/zinc/47/84/25/1041478425.db2.gz HNSVGNWRRXEHHD-OXJNMPFZSA-N 1 0 340.442 4.300 20 30 EIEDRO CCCC1CCC([N@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000484870244 1041481576 /nfs/dbraw/zinc/48/15/76/1041481576.db2.gz ZTMRSBVQIQPNBP-UHFFFAOYSA-N 1 0 327.472 4.178 20 30 EIEDRO CC1CCN([C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000463299946 1041483180 /nfs/dbraw/zinc/48/31/80/1041483180.db2.gz IANCUBBZRXDJQS-SESVDKBCSA-N 1 0 325.500 4.132 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000463301268 1041485299 /nfs/dbraw/zinc/48/52/99/1041485299.db2.gz OWJHRKCHWBELBD-RVKKMQEKSA-N 1 0 349.881 4.288 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480713395 1041492200 /nfs/dbraw/zinc/49/22/00/1041492200.db2.gz LYECUFXONWUJRX-KHYOSLBOSA-N 1 0 331.891 4.049 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000904477475 1041498794 /nfs/dbraw/zinc/49/87/94/1041498794.db2.gz XXNYNOYGSIPAIE-IBGZPJMESA-N 1 0 341.499 4.321 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000904474220 1041500237 /nfs/dbraw/zinc/50/02/37/1041500237.db2.gz KNRCWCLWDRNENI-UHFFFAOYSA-N 1 0 329.488 4.034 20 30 EIEDRO CC(C)Oc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000538739110 1041512683 /nfs/dbraw/zinc/51/26/83/1041512683.db2.gz GMRCHXLMUJJNSG-UHFFFAOYSA-N 1 0 349.478 4.058 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(O)CCCCCC2)CC1 ZINC000540600630 1041555191 /nfs/dbraw/zinc/55/51/91/1041555191.db2.gz NQLCSZNDMZICKE-UHFFFAOYSA-N 1 0 326.484 4.065 20 30 EIEDRO C[C@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1cccc(C#N)c1 ZINC000540605418 1041557934 /nfs/dbraw/zinc/55/79/34/1041557934.db2.gz DKPSCDMEIZEVJT-ZDUSSCGKSA-N 1 0 334.341 4.350 20 30 EIEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540606618 1041560979 /nfs/dbraw/zinc/56/09/79/1041560979.db2.gz OJMLCLUOEWMMGT-GAJHUEQPSA-N 1 0 345.490 4.046 20 30 EIEDRO C[N@H+](CCc1cccc(Br)c1)Cc1ccc(CC#N)cc1 ZINC000463429350 1041565285 /nfs/dbraw/zinc/56/52/85/1041565285.db2.gz OZVSYKDVTJWGEK-UHFFFAOYSA-N 1 0 343.268 4.190 20 30 EIEDRO Cc1nc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(Cl)cc1C#N ZINC000461722002 1041572577 /nfs/dbraw/zinc/57/25/77/1041572577.db2.gz WUHUMAOZTUCZIS-SFHVURJKSA-N 1 0 340.858 4.164 20 30 EIEDRO N#CCSCCC[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000516489131 1041599492 /nfs/dbraw/zinc/59/94/92/1041599492.db2.gz WSWSWMVQKDQPKX-UHFFFAOYSA-N 1 0 325.481 4.061 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000540702667 1041604262 /nfs/dbraw/zinc/60/42/62/1041604262.db2.gz YAXYTZMDTRSDAN-WAOWUJCRSA-N 1 0 336.479 4.427 20 30 EIEDRO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)COCc1ccccc1 ZINC000540710209 1041619786 /nfs/dbraw/zinc/61/97/86/1041619786.db2.gz LPQNLOQRHSZMMI-HZPDHXFCSA-N 1 0 326.415 4.201 20 30 EIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000463570850 1041650666 /nfs/dbraw/zinc/65/06/66/1041650666.db2.gz XWEIAXYFEJVQBD-RDTXWAMCSA-N 1 0 338.426 4.477 20 30 EIEDRO CC[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000437111994 1041654221 /nfs/dbraw/zinc/65/42/21/1041654221.db2.gz RZERFQPAVLFBIK-MHJFOBGBSA-N 1 0 335.451 4.384 20 30 EIEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@H]1C ZINC000437101924 1041660400 /nfs/dbraw/zinc/66/04/00/1041660400.db2.gz FETSBIGGJAQYSE-SNPYCJMFSA-N 1 0 327.472 4.058 20 30 EIEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000540778391 1041663967 /nfs/dbraw/zinc/66/39/67/1041663967.db2.gz GJWGADNHVZLFOJ-LBPRGKRZSA-N 1 0 334.872 4.021 20 30 EIEDRO CN(c1ccccc1)c1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000437147540 1041674166 /nfs/dbraw/zinc/67/41/66/1041674166.db2.gz UOSLFMYXAXLESG-UHFFFAOYSA-N 1 0 342.446 4.353 20 30 EIEDRO N#Cc1ccc(-c2ccc(-c3noc(C=C4CC[NH2+]CC4)n3)cc2)cc1 ZINC001211843275 1041686193 /nfs/dbraw/zinc/68/61/93/1041686193.db2.gz QSSBGRWQJXJNKI-UHFFFAOYSA-N 1 0 342.402 4.042 20 30 EIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000460350064 1041784505 /nfs/dbraw/zinc/78/45/05/1041784505.db2.gz JVAMRTRFXLAWAJ-GDBMZVCRSA-N 1 0 333.501 4.124 20 30 EIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000460344488 1041788302 /nfs/dbraw/zinc/78/83/02/1041788302.db2.gz AGZWCPJCTGNOGP-LXZKKBNFSA-N 1 0 331.460 4.044 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2ccccc2)C2CC2)c(OC(F)F)c1 ZINC000437437761 1041806025 /nfs/dbraw/zinc/80/60/25/1041806025.db2.gz XQZVEXJKTACBIY-UHFFFAOYSA-N 1 0 328.362 4.324 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)cc1F ZINC000517005294 1041835908 /nfs/dbraw/zinc/83/59/08/1041835908.db2.gz KYDMKCGGVBOQPB-UHFFFAOYSA-N 1 0 330.447 4.259 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000541212199 1041849250 /nfs/dbraw/zinc/84/92/50/1041849250.db2.gz DTQVMXMKBXQMBY-UHFFFAOYSA-N 1 0 340.467 4.466 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@H](O)c1ccccc1 ZINC000290362816 1041861020 /nfs/dbraw/zinc/86/10/20/1041861020.db2.gz QVGUERODMRNICY-SWYDAUSRSA-N 1 0 334.463 4.102 20 30 EIEDRO CCN(Cc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000517124586 1041877050 /nfs/dbraw/zinc/87/70/50/1041877050.db2.gz MDINRBMOCMKHIF-GCJKJVERSA-N 1 0 333.479 4.216 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000541348524 1041899084 /nfs/dbraw/zinc/89/90/84/1041899084.db2.gz QIBVSGZNJZAJIH-MOPGFXCFSA-N 1 0 342.483 4.270 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCC(C)C)C2CCCC2)CC1 ZINC000517324067 1041960161 /nfs/dbraw/zinc/96/01/61/1041960161.db2.gz LRYZNLMLXBZBJN-UHFFFAOYSA-N 1 0 335.536 4.027 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000541576667 1042023823 /nfs/dbraw/zinc/02/38/23/1042023823.db2.gz PRWYTNFMXOGJBG-VXKWHMMOSA-N 1 0 334.463 4.365 20 30 EIEDRO C[C@H](Cc1ccccc1F)[NH2+]CCSCc1ccccc1C#N ZINC000438070752 1042030213 /nfs/dbraw/zinc/03/02/13/1042030213.db2.gz FXZFJXBCTMOWSP-OAHLLOKOSA-N 1 0 328.456 4.151 20 30 EIEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000438057940 1042032923 /nfs/dbraw/zinc/03/29/23/1042032923.db2.gz WBJQMIKUBCZIJV-DYESRHJHSA-N 1 0 344.499 4.086 20 30 EIEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000438063847 1042036298 /nfs/dbraw/zinc/03/62/98/1042036298.db2.gz DIYBQODJFMTOMX-DYESRHJHSA-N 1 0 344.499 4.228 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000541628267 1042045009 /nfs/dbraw/zinc/04/50/09/1042045009.db2.gz JVKFNJDDBUXYNN-INIZCTEOSA-N 1 0 344.480 4.384 20 30 EIEDRO CC1CCN([C@H](C[NH2+]Cc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000517536071 1042070259 /nfs/dbraw/zinc/07/02/59/1042070259.db2.gz QHGQZUJNKAZTLZ-JOCHJYFZSA-N 1 0 333.479 4.121 20 30 EIEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000517558206 1042073469 /nfs/dbraw/zinc/07/34/69/1042073469.db2.gz GMLHORBZLQIRAL-WIYYLYMNSA-N 1 0 333.435 4.012 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000464648760 1042096976 /nfs/dbraw/zinc/09/69/76/1042096976.db2.gz SOYBNZHKFUULAD-ZWKOTPCHSA-N 1 0 328.500 4.137 20 30 EIEDRO C[NH+](C)CCc1ccccc1NCc1cccc(OCCCC#N)c1 ZINC000438349065 1042140950 /nfs/dbraw/zinc/14/09/50/1042140950.db2.gz MTDVTMTWCWUDEA-UHFFFAOYSA-N 1 0 337.467 4.085 20 30 EIEDRO CC[C@@]1(C)CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000464771316 1042149382 /nfs/dbraw/zinc/14/93/82/1042149382.db2.gz DDNZJWAAPDJTLZ-NRFANRHFSA-N 1 0 341.499 4.062 20 30 EIEDRO CC(C)C[C@H](CNC(=O)c1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000517713395 1042155090 /nfs/dbraw/zinc/15/50/90/1042155090.db2.gz FBNFYJCTGQBEOF-DYESRHJHSA-N 1 0 349.478 4.054 20 30 EIEDRO Cc1ccc(C)c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000438484596 1042203207 /nfs/dbraw/zinc/20/32/07/1042203207.db2.gz JBXALSSBRHFLDX-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1C#N ZINC000383071739 1042215830 /nfs/dbraw/zinc/21/58/30/1042215830.db2.gz NWKBJPYMJGHSFG-KRWDZBQOSA-N 1 0 339.870 4.170 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000506284361 1042250281 /nfs/dbraw/zinc/25/02/81/1042250281.db2.gz VZDGOQGVNKDXGG-UHFFFAOYSA-N 1 0 337.463 4.433 20 30 EIEDRO CCc1cnccc1[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000542122415 1042292730 /nfs/dbraw/zinc/29/27/30/1042292730.db2.gz CHQBLBUDHSBKBC-AWEZNQCLSA-N 1 0 332.369 4.365 20 30 EIEDRO CCc1cnccc1[C@H](C)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000542124495 1042294052 /nfs/dbraw/zinc/29/40/52/1042294052.db2.gz CIYODDVPHKQVTP-AWEZNQCLSA-N 1 0 348.368 4.245 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c(C(F)(F)F)c1 ZINC000518020141 1042315036 /nfs/dbraw/zinc/31/50/36/1042315036.db2.gz RNGSOWBKTDHMSQ-HZPDHXFCSA-N 1 0 340.414 4.437 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000542256280 1042361317 /nfs/dbraw/zinc/36/13/17/1042361317.db2.gz WDYUZTIJZLXWQZ-AUUYWEPGSA-N 1 0 328.843 4.272 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)Cc1ccc(OC)cc1 ZINC000506416469 1042398050 /nfs/dbraw/zinc/39/80/50/1042398050.db2.gz NMYXIDWCBHMFQL-OAHLLOKOSA-N 1 0 326.415 4.159 20 30 EIEDRO CCC(CC)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)SC ZINC000271837897 1042437641 /nfs/dbraw/zinc/43/76/41/1042437641.db2.gz GFEUHQBIMZBAMJ-UHFFFAOYSA-N 1 0 345.556 4.034 20 30 EIEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000303487647 1042447477 /nfs/dbraw/zinc/44/74/77/1042447477.db2.gz KFGALNJYERMLFR-JOCHJYFZSA-N 1 0 349.478 4.262 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)c1 ZINC000518280314 1042450450 /nfs/dbraw/zinc/45/04/50/1042450450.db2.gz DHPIHTFSDOZNQC-INIZCTEOSA-N 1 0 339.435 4.091 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)CCc2ccc(OC)cc2)c1 ZINC000518280332 1042450671 /nfs/dbraw/zinc/45/06/71/1042450671.db2.gz FMZCXRROPWSSPW-KRWDZBQOSA-N 1 0 325.452 4.371 20 30 EIEDRO CCC(=O)Nc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000518276946 1042455252 /nfs/dbraw/zinc/45/52/52/1042455252.db2.gz TZNQNBIUFYWNKD-OAQYLSRUSA-N 1 0 347.462 4.464 20 30 EIEDRO C=CCN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000491519774 1042465122 /nfs/dbraw/zinc/46/51/22/1042465122.db2.gz DLIVCEAFPPHIHY-FQEVSTJZSA-N 1 0 334.463 4.118 20 30 EIEDRO C=CCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000491519775 1042465580 /nfs/dbraw/zinc/46/55/80/1042465580.db2.gz DLIVCEAFPPHIHY-HXUWFJFHSA-N 1 0 334.463 4.118 20 30 EIEDRO C#CC[N@@H+](C)CCCNC(=S)Nc1c(C(C)C)cccc1C(C)C ZINC000491679324 1042487667 /nfs/dbraw/zinc/48/76/67/1042487667.db2.gz DZTUQLHYXSAENE-UHFFFAOYSA-N 1 0 345.556 4.175 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1cc(-n2ccnc2)cs1)c1ccc(Cl)cc1 ZINC000491775963 1042500731 /nfs/dbraw/zinc/50/07/31/1042500731.db2.gz DTCGTHHDKJZUJT-QGZVFWFLSA-N 1 0 327.840 4.051 20 30 EIEDRO Cc1c(Cl)cccc1N1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000518410422 1042509980 /nfs/dbraw/zinc/50/99/80/1042509980.db2.gz OZWLPLPHIQCUGL-UHFFFAOYSA-N 1 0 333.907 4.491 20 30 EIEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000443849414 1042520229 /nfs/dbraw/zinc/52/02/29/1042520229.db2.gz DFWDZTWTDUIRPF-CMTQZCSUSA-N 1 0 339.483 4.225 20 30 EIEDRO C[C@@H](NCc1nc(C#N)cs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518445221 1042521614 /nfs/dbraw/zinc/52/16/14/1042521614.db2.gz CRXPNLXNRIFYFP-CQSZACIVSA-N 1 0 344.443 4.404 20 30 EIEDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000518607839 1042585442 /nfs/dbraw/zinc/58/54/42/1042585442.db2.gz QVBFGLIKLDSNOF-AWEZNQCLSA-N 1 0 330.378 4.046 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)c1c(F)cccc1F ZINC000271978890 1042601845 /nfs/dbraw/zinc/60/18/45/1042601845.db2.gz WMHVAEXVYAXJLD-XTDINYQCSA-N 1 0 348.368 4.138 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c(Cl)c1 ZINC000439443854 1042627539 /nfs/dbraw/zinc/62/75/39/1042627539.db2.gz ARZDVZXXOFPZPT-PKOBYXMFSA-N 1 0 326.827 4.079 20 30 EIEDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000439446408 1042631862 /nfs/dbraw/zinc/63/18/62/1042631862.db2.gz DOMCNNDGSYIFBM-SFHVURJKSA-N 1 0 345.918 4.156 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000439449372 1042635358 /nfs/dbraw/zinc/63/53/58/1042635358.db2.gz GPEWJIQOBJYASB-NXHRZFHOSA-N 1 0 332.875 4.237 20 30 EIEDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)cc1 ZINC000439452152 1042636216 /nfs/dbraw/zinc/63/62/16/1042636216.db2.gz LYKZSTLSXJOTJM-MRXNPFEDSA-N 1 0 326.827 4.210 20 30 EIEDRO N#Cc1ccc(OCC[NH2+][C@H](c2cccnc2)C2CCCCC2)cc1 ZINC000609157653 1042651036 /nfs/dbraw/zinc/65/10/36/1042651036.db2.gz MPJAGXNKOSZKSM-NRFANRHFSA-N 1 0 335.451 4.243 20 30 EIEDRO CC1CC[NH+](Cc2ccc(-c3noc(-c4ccc(C#N)o4)n3)cc2)CC1 ZINC000426433925 1042704282 /nfs/dbraw/zinc/70/42/82/1042704282.db2.gz ULDSBTDOHVDACV-UHFFFAOYSA-N 1 0 348.406 4.100 20 30 EIEDRO Cc1cc(C[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)ccc1C#N ZINC000443974345 1042704785 /nfs/dbraw/zinc/70/47/85/1042704785.db2.gz TWLLVOZDRCNGOW-UHFFFAOYSA-N 1 0 341.842 4.029 20 30 EIEDRO CC(C)c1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000272091396 1042722586 /nfs/dbraw/zinc/72/25/86/1042722586.db2.gz DFPIIBGQCDNNJC-UHFFFAOYSA-N 1 0 344.462 4.372 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2)C(C)C)CC1 ZINC000176523389 1042810346 /nfs/dbraw/zinc/81/03/46/1042810346.db2.gz PKHYTPQZEWHHBM-IBGZPJMESA-N 1 0 348.918 4.236 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](CC)c2cccc(Br)c2)CC1 ZINC000177912370 1042854380 /nfs/dbraw/zinc/85/43/80/1042854380.db2.gz PVLWBINGDDLHJZ-QGZVFWFLSA-N 1 0 337.305 4.140 20 30 EIEDRO CC[C@@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000507767880 1042859906 /nfs/dbraw/zinc/85/99/06/1042859906.db2.gz QBAYNJHYLIHFJX-ZTRSQXPZSA-N 1 0 327.472 4.202 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CC(C)(C)c2cccc(F)c2)cc1 ZINC000237195827 1042902789 /nfs/dbraw/zinc/90/27/89/1042902789.db2.gz PGGIVRHKKQCXDD-UHFFFAOYSA-N 1 0 339.458 4.243 20 30 EIEDRO CCC(CC)[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000520598393 1042916193 /nfs/dbraw/zinc/91/61/93/1042916193.db2.gz JUVLEDUVDIBWLC-UHFFFAOYSA-N 1 0 347.890 4.240 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]C2CC(c3ccc(Cl)cc3)C2)cc1 ZINC000542471115 1042974643 /nfs/dbraw/zinc/97/46/43/1042974643.db2.gz GQYPTZBRGWLABH-UHFFFAOYSA-N 1 0 326.827 4.126 20 30 EIEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000609167808 1043020641 /nfs/dbraw/zinc/02/06/41/1043020641.db2.gz XIRBYCHIMWLSHY-HXUWFJFHSA-N 1 0 349.434 4.163 20 30 EIEDRO Cc1c(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1C ZINC000542948121 1043056721 /nfs/dbraw/zinc/05/67/21/1043056721.db2.gz PAZRYYFVFULXES-HNNXBMFYSA-N 1 0 330.435 4.118 20 30 EIEDRO C[C@@H]1CC(NCC2(C#N)CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168009053 1043088565 /nfs/dbraw/zinc/08/85/65/1043088565.db2.gz YNIGHYUCOUJOEV-QZTJIDSGSA-N 1 0 325.500 4.102 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1Oc1cccnc1 ZINC000112371708 1043094039 /nfs/dbraw/zinc/09/40/39/1043094039.db2.gz IJASPAKMBNSLBC-UHFFFAOYSA-N 1 0 329.403 4.344 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000355563700 1043102639 /nfs/dbraw/zinc/10/26/39/1043102639.db2.gz PWTBAVCTRUPGLS-INIZCTEOSA-N 1 0 331.504 4.390 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)c1cccs1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000543504090 1043165612 /nfs/dbraw/zinc/16/56/12/1043165612.db2.gz GBDYKUZZTHAFKA-NSHDSACASA-N 1 0 347.871 4.125 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000185495511 1043191766 /nfs/dbraw/zinc/19/17/66/1043191766.db2.gz DAFJFGGTGFCSHV-MRXNPFEDSA-N 1 0 348.918 4.271 20 30 EIEDRO N#CCc1cc(NCCC(c2ccccc2)c2ccccc2)cc[nH+]1 ZINC001168749094 1043209536 /nfs/dbraw/zinc/20/95/36/1043209536.db2.gz UDNMRCWJUULWCX-UHFFFAOYSA-N 1 0 327.431 4.204 20 30 EIEDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1OC1CCCC1 ZINC000185824535 1043221893 /nfs/dbraw/zinc/22/18/93/1043221893.db2.gz NHCJIUORTBDOTN-NVXWUHKLSA-N 1 0 328.456 4.189 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1OC1CCCC1 ZINC000185813282 1043223077 /nfs/dbraw/zinc/22/30/77/1043223077.db2.gz HTMORUJTGASDAX-RDJZCZTQSA-N 1 0 328.456 4.189 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCc2ccc(Br)cc2F)C1 ZINC000185829024 1043224409 /nfs/dbraw/zinc/22/44/09/1043224409.db2.gz LIYIWIWUBDHPNT-DOMZBBRYSA-N 1 0 339.252 4.193 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000185862439 1043226372 /nfs/dbraw/zinc/22/63/72/1043226372.db2.gz FMSNEDNJNDMOLL-UKRRQHHQSA-N 1 0 326.362 4.108 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CC2CCC(C#N)CC2)ccc1OC(F)F ZINC000282500379 1043276134 /nfs/dbraw/zinc/27/61/34/1043276134.db2.gz YANCCMHIXFRSMK-HSBZDZAISA-N 1 0 338.398 4.277 20 30 EIEDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000366865399 1043306779 /nfs/dbraw/zinc/30/67/79/1043306779.db2.gz CKCCBEPZHHPFAR-UYAOXDASSA-N 1 0 326.484 4.355 20 30 EIEDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543557717 1043319787 /nfs/dbraw/zinc/31/97/87/1043319787.db2.gz GLIJHRCIZRKLGB-RTWAWAEBSA-N 1 0 341.401 4.168 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187372379 1043344478 /nfs/dbraw/zinc/34/44/78/1043344478.db2.gz OKYZXDPIWBPNKJ-IBGZPJMESA-N 1 0 330.378 4.330 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1cccc(OCCOC)c1)c1ccc(F)c(F)c1 ZINC000187372703 1043346489 /nfs/dbraw/zinc/34/64/89/1043346489.db2.gz SEAKODWFIYINOD-HXUWFJFHSA-N 1 0 347.405 4.397 20 30 EIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000733902299 1043364301 /nfs/dbraw/zinc/36/43/01/1043364301.db2.gz PFRWHVRGOPGWPQ-KBXCAEBGSA-N 1 0 330.432 4.037 20 30 EIEDRO C=CCN(C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)C(C)C ZINC000728131063 1043366486 /nfs/dbraw/zinc/36/64/86/1043366486.db2.gz GBOYLFWBBPEAPA-UHFFFAOYSA-N 1 0 343.515 4.025 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccc(Br)c(F)c1 ZINC000494293040 1043409975 /nfs/dbraw/zinc/40/99/75/1043409975.db2.gz LOULMXRLBUXSLX-UHFFFAOYSA-N 1 0 327.241 4.350 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1csc2ccccc21 ZINC000730018827 1043435457 /nfs/dbraw/zinc/43/54/57/1043435457.db2.gz AZZXZFRDUZUAEY-KGLIPLIRSA-N 1 0 349.459 4.451 20 30 EIEDRO CN(Cc1cccc(F)c1)Cc1ccc(Br)cc1C#N ZINC000312360409 1043440329 /nfs/dbraw/zinc/44/03/29/1043440329.db2.gz ZBJCQBVASATTPU-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000494416919 1043473600 /nfs/dbraw/zinc/47/36/00/1043473600.db2.gz HKTAYNKZUCMNOV-KRWDZBQOSA-N 1 0 349.519 4.038 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)cs1 ZINC000922112206 1043513230 /nfs/dbraw/zinc/51/32/30/1043513230.db2.gz BQQLZPBPRMBYOQ-HNNXBMFYSA-N 1 0 348.269 4.018 20 30 EIEDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000494516585 1043534600 /nfs/dbraw/zinc/53/46/00/1043534600.db2.gz VEWUFBAIEZSUPK-NSHDSACASA-N 1 0 349.312 4.336 20 30 EIEDRO CCOc1cccc(/C=N\Cc2ccccc2C[NH+]2CCCC2)c1O ZINC000730550605 1043554514 /nfs/dbraw/zinc/55/45/14/1043554514.db2.gz ZIZWUHHXFPMVCK-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO COc1cccc(/C=N\Cc2ccc(C[NH+]3CCCCC3)cc2)c1O ZINC000730547062 1043554949 /nfs/dbraw/zinc/55/49/49/1043554949.db2.gz MDVUFWUCEUPNQD-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033847 1043587270 /nfs/dbraw/zinc/58/72/70/1043587270.db2.gz QDSFUIFNVZUQRT-PNLZDCPESA-N 1 0 333.479 4.359 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000494556880 1043589047 /nfs/dbraw/zinc/58/90/47/1043589047.db2.gz ZBXQLHMXXSNHHT-ZIAGYGMSSA-N 1 0 333.476 4.030 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)cc1 ZINC000731211852 1043714496 /nfs/dbraw/zinc/71/44/96/1043714496.db2.gz FEOOOEIXUXYZLV-UHFFFAOYSA-N 1 0 345.446 4.450 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000078708746 1043737886 /nfs/dbraw/zinc/73/78/86/1043737886.db2.gz SKVZKEXHIHOBAJ-NSHDSACASA-N 1 0 347.871 4.179 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CCCC[NH+]1CCCC1 ZINC000731349816 1043741318 /nfs/dbraw/zinc/74/13/18/1043741318.db2.gz SNOVYZGKUMALKX-INIZCTEOSA-N 1 0 345.512 4.285 20 30 EIEDRO CCC(C)(C)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000439011992 1043791264 /nfs/dbraw/zinc/79/12/64/1043791264.db2.gz WBNHNWBIIYXYCL-UHFFFAOYSA-N 1 0 327.472 4.035 20 30 EIEDRO [NH2+]=C(N[C@H]1Cc2cccc(Cl)c2C1)c1ccc2cc(O)ccc2c1 ZINC001168703371 1043793897 /nfs/dbraw/zinc/79/38/97/1043793897.db2.gz FARRYXKAKOXYCH-INIZCTEOSA-N 1 0 336.822 4.072 20 30 EIEDRO CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000078878167 1043804843 /nfs/dbraw/zinc/80/48/43/1043804843.db2.gz CYYSJHIPCYZAFJ-CYBMUJFWSA-N 1 0 344.842 4.470 20 30 EIEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1Cc2cccc(Cl)c2C1 ZINC001168705207 1043812040 /nfs/dbraw/zinc/81/20/40/1043812040.db2.gz RXINVWORUMPEDC-INIZCTEOSA-N 1 0 335.838 4.007 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cnn1C(C)C ZINC000191375238 1043812442 /nfs/dbraw/zinc/81/24/42/1043812442.db2.gz JHHXTBFMUXETNU-CQSZACIVSA-N 1 0 349.400 4.494 20 30 EIEDRO Cc1cccc([C@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000439016596 1043822794 /nfs/dbraw/zinc/82/27/94/1043822794.db2.gz DLEJAQYYZXIXGE-KRWDZBQOSA-N 1 0 347.462 4.278 20 30 EIEDRO C=C[C@H](CC)CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001127295287 1043850118 /nfs/dbraw/zinc/85/01/18/1043850118.db2.gz TWRQADGMCJROTI-GGPKGHCWSA-N 1 0 328.500 4.006 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2Cl)ccc1C#N ZINC000442827638 1043858287 /nfs/dbraw/zinc/85/82/87/1043858287.db2.gz LFOMGCJFGHWRQB-DJJJIMSYSA-N 1 0 344.842 4.086 20 30 EIEDRO COCCN(CC1(C#N)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000347493088 1043863897 /nfs/dbraw/zinc/86/38/97/1043863897.db2.gz WIQJHCQMOLNYFG-CYBMUJFWSA-N 1 0 326.362 4.019 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@@H]1CCCc2cccnc21 ZINC000442854398 1043875428 /nfs/dbraw/zinc/87/54/28/1043875428.db2.gz NVTWVTDWXUDEJS-LJQANCHMSA-N 1 0 335.451 4.251 20 30 EIEDRO CC1(C)[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1OCc1ccccc1 ZINC000442877508 1043878962 /nfs/dbraw/zinc/87/89/62/1043878962.db2.gz ZQFKOHCZMFZHBE-TZJYRCSTSA-N 1 0 326.484 4.290 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000442899009 1043891978 /nfs/dbraw/zinc/89/19/78/1043891978.db2.gz MLUSNJXUEFKKJR-INIZCTEOSA-N 1 0 346.430 4.180 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Br)cc1F ZINC000467447120 1044036492 /nfs/dbraw/zinc/03/64/92/1044036492.db2.gz RODQSSPEMRYFSX-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000543206847 1044129891 /nfs/dbraw/zinc/12/98/91/1044129891.db2.gz DGLLTXWFZQXVIR-WMZHIEFXSA-N 1 0 347.506 4.238 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)Cc2ccccc2OC)cc1 ZINC000733328678 1044193902 /nfs/dbraw/zinc/19/39/02/1044193902.db2.gz ZPKLSIHUDMZBIR-UHFFFAOYSA-N 1 0 337.463 4.208 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)cc1 ZINC000733327737 1044195961 /nfs/dbraw/zinc/19/59/61/1044195961.db2.gz ABZFLQGQPPITQO-UHFFFAOYSA-N 1 0 335.447 4.310 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C#N)cc1 ZINC000173966967 1044203357 /nfs/dbraw/zinc/20/33/57/1044203357.db2.gz FQZCOQSWKVWZJM-MRXNPFEDSA-N 1 0 337.442 4.013 20 30 EIEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000766114414 1044210790 /nfs/dbraw/zinc/21/07/90/1044210790.db2.gz UUEADAIZHNYEIW-HOCLYGCPSA-N 1 0 326.465 4.191 20 30 EIEDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000174045191 1044214700 /nfs/dbraw/zinc/21/47/00/1044214700.db2.gz JEIYLSABKRUYLJ-AWEZNQCLSA-N 1 0 325.481 4.177 20 30 EIEDRO CCc1noc(-c2ccc(CC[NH2+][C@H](C)c3ccc(C#N)cc3)cc2)n1 ZINC000174049253 1044215423 /nfs/dbraw/zinc/21/54/23/1044215423.db2.gz LDOPNQMIVYLGKK-OAHLLOKOSA-N 1 0 346.434 4.064 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000174075041 1044217670 /nfs/dbraw/zinc/21/76/70/1044217670.db2.gz HBPRIDSLXLGKRT-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000245966588 1044219897 /nfs/dbraw/zinc/21/98/97/1044219897.db2.gz ZBRXSFZNQQLZFD-RQUSPXKASA-N 1 0 328.362 4.017 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(Br)c3)CCC2)o1 ZINC000174335598 1044262238 /nfs/dbraw/zinc/26/22/38/1044262238.db2.gz IGKAHRYAIKOSMA-UHFFFAOYSA-N 1 0 331.213 4.083 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000522147002 1044279370 /nfs/dbraw/zinc/27/93/70/1044279370.db2.gz KJKWLLJRLOALOA-NBOOPKSLSA-N 1 0 334.529 4.066 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N=Nc3ncnc4sccc43)CC2)C1 ZINC000733744253 1044297606 /nfs/dbraw/zinc/29/76/06/1044297606.db2.gz FJBFTGWKTUNPEK-HIFRSBDPSA-N 1 0 343.500 4.134 20 30 EIEDRO CC(C)c1nc(C#N)c(N=NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000733746699 1044297681 /nfs/dbraw/zinc/29/76/81/1044297681.db2.gz ACJJXEGSPSROGH-GDBMZVCRSA-N 1 0 343.475 4.112 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@H](COCC)C1 ZINC000733788858 1044310765 /nfs/dbraw/zinc/31/07/65/1044310765.db2.gz ZGQILBMGQJQCGA-INIZCTEOSA-N 1 0 345.512 4.020 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2cnc3ccccc3n2)CC1 ZINC000733901046 1044357879 /nfs/dbraw/zinc/35/78/79/1044357879.db2.gz AGVMKRMJXJUNCG-BEFAXECRSA-N 1 0 337.471 4.072 20 30 EIEDRO CCCN1Cc2cccc(NC(=S)Nc3ccccc3C#N)c2C1 ZINC000727290454 1044368016 /nfs/dbraw/zinc/36/80/16/1044368016.db2.gz KNGBQUVHWRARAP-UHFFFAOYSA-N 1 0 336.464 4.093 20 30 EIEDRO N#CC1(CCC[NH+]2CCC(c3ccccc3F)CC2)CCOCC1 ZINC000522213879 1044387031 /nfs/dbraw/zinc/38/70/31/1044387031.db2.gz FUVUUEAHVBOJRP-UHFFFAOYSA-N 1 0 330.447 4.106 20 30 EIEDRO C[C@H]1CC(NC2=CC(=O)CC(C)(C)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168020897 1044399597 /nfs/dbraw/zinc/39/95/97/1044399597.db2.gz OKUUFSLEWGGOFA-IRXDYDNUSA-N 1 0 340.511 4.291 20 30 EIEDRO C=CCCCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000474086599 1044435602 /nfs/dbraw/zinc/43/56/02/1044435602.db2.gz BIJHQIYINBUNMV-SFHVURJKSA-N 1 0 335.536 4.029 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000518898664 1044444653 /nfs/dbraw/zinc/44/46/53/1044444653.db2.gz WMVUYYNYAHJGSH-UHFFFAOYSA-N 1 0 333.435 4.069 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(Cl)c(Br)c2)c1 ZINC000466425271 1044452105 /nfs/dbraw/zinc/45/21/05/1044452105.db2.gz MHCZNLSMOOXHIJ-UHFFFAOYSA-N 1 0 349.659 4.306 20 30 EIEDRO C[NH+](C)CC(C)(C)CNc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001168768871 1044455730 /nfs/dbraw/zinc/45/57/30/1044455730.db2.gz KLJSAGGDELSBGO-UHFFFAOYSA-N 1 0 346.290 4.262 20 30 EIEDRO C=C(C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000675784508 1044494997 /nfs/dbraw/zinc/49/49/97/1044494997.db2.gz YKDVLNFPTRPQJQ-UHFFFAOYSA-N 1 0 338.470 4.136 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000734159116 1044506156 /nfs/dbraw/zinc/50/61/56/1044506156.db2.gz GSFGORLPGJOVAQ-UHFFFAOYSA-N 1 0 338.407 4.020 20 30 EIEDRO COc1cc2c(cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1)O[C@@H](C)C2 ZINC000543413948 1044558024 /nfs/dbraw/zinc/55/80/24/1044558024.db2.gz IYGFEFYQDQHLBR-HNNXBMFYSA-N 1 0 348.446 4.055 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCCCC)C(C)(C)C)CC1 ZINC000734531274 1044599674 /nfs/dbraw/zinc/59/96/74/1044599674.db2.gz ZUYVWKXGDLFMJW-SFHVURJKSA-N 1 0 337.552 4.321 20 30 EIEDRO C[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H](C)C1 ZINC000443644950 1044603764 /nfs/dbraw/zinc/60/37/64/1044603764.db2.gz ZOVRZXRHSUDYJB-IRXDYDNUSA-N 1 0 337.467 4.106 20 30 EIEDRO Cc1cnn(C)c1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367144877 1044631977 /nfs/dbraw/zinc/63/19/77/1044631977.db2.gz QBJWLXLESAJOLL-MRXNPFEDSA-N 1 0 330.435 4.118 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000495063588 1044632354 /nfs/dbraw/zinc/63/23/54/1044632354.db2.gz HCSXDUGGASJBAR-LIRRHRJNSA-N 1 0 333.834 4.343 20 30 EIEDRO Cc1cccc(OCC[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)c1 ZINC000735305659 1044787469 /nfs/dbraw/zinc/78/74/69/1044787469.db2.gz BIOUERUYNMMBHH-UHFFFAOYSA-N 1 0 344.842 4.062 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](c3nccs3)C2)ccc1OC ZINC000895583669 1044815838 /nfs/dbraw/zinc/81/58/38/1044815838.db2.gz NHZGUNIXJPLVPP-MRXNPFEDSA-N 1 0 344.480 4.096 20 30 EIEDRO C=C[C@](C)(CC)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000474244372 1044819571 /nfs/dbraw/zinc/81/95/71/1044819571.db2.gz HQQOSFBSVDCBKL-TUNNFDKTSA-N 1 0 340.511 4.102 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC000735677689 1044855200 /nfs/dbraw/zinc/85/52/00/1044855200.db2.gz SYDRNSIQPQYPJT-AZUAARDMSA-N 1 0 329.484 4.020 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)ccc1OC ZINC000766214222 1044880485 /nfs/dbraw/zinc/88/04/85/1044880485.db2.gz LQMJDKZYOVBWCU-OIISXLGYSA-N 1 0 330.472 4.290 20 30 EIEDRO CSC[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000429293407 1044898708 /nfs/dbraw/zinc/89/87/08/1044898708.db2.gz NEECPWZGIJUGRI-OAHLLOKOSA-N 1 0 343.414 4.012 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)cc1C#N ZINC000922758992 1044928336 /nfs/dbraw/zinc/92/83/36/1044928336.db2.gz IJGZGVKQVRJQKX-UHFFFAOYSA-N 1 0 334.341 4.098 20 30 EIEDRO C=CCC1(O)CC[NH+](Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000895835446 1044928678 /nfs/dbraw/zinc/92/86/78/1044928678.db2.gz GFUIMMOTUYDAHZ-UHFFFAOYSA-N 1 0 337.463 4.265 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1cccc(SC(F)(F)F)c1 ZINC000895857950 1044939551 /nfs/dbraw/zinc/93/95/51/1044939551.db2.gz IFVQBDYEMSRCSI-NSHDSACASA-N 1 0 337.370 4.416 20 30 EIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000736623441 1044959045 /nfs/dbraw/zinc/95/90/45/1044959045.db2.gz KIFBXKQEPKZVJZ-OAHLLOKOSA-N 1 0 328.843 4.305 20 30 EIEDRO CCOc1cc(C)ccc1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000153446748 1045001035 /nfs/dbraw/zinc/00/10/35/1045001035.db2.gz XUHFEKCZFVVSST-UHFFFAOYSA-N 1 0 337.467 4.033 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000272267934 1045015554 /nfs/dbraw/zinc/01/55/54/1045015554.db2.gz MTWKRXBAROPBBY-MRXNPFEDSA-N 1 0 342.446 4.392 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125589915 1045021983 /nfs/dbraw/zinc/02/19/83/1045021983.db2.gz QGZJSOOFCOOSKJ-LBPRGKRZSA-N 1 0 348.372 4.241 20 30 EIEDRO CCN(CCC[N@H+](Cc1ccc(C#N)cc1)C(C)C)CC(F)(F)F ZINC000475022360 1045141952 /nfs/dbraw/zinc/14/19/52/1045141952.db2.gz IOJNMLNLOZABIU-UHFFFAOYSA-N 1 0 341.421 4.043 20 30 EIEDRO CC(C)n1cc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)cn1 ZINC000740011213 1045180709 /nfs/dbraw/zinc/18/07/09/1045180709.db2.gz KUQCILSDOSKROX-UHFFFAOYSA-N 1 0 336.464 4.354 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cc(F)ccc1F ZINC000915224921 1045195988 /nfs/dbraw/zinc/19/59/88/1045195988.db2.gz YRLWLBSPWVUGPW-CQSZACIVSA-N 1 0 329.394 4.165 20 30 EIEDRO CC[N@H+](Cc1c(F)ccc(C#N)c1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC001143164656 1045199688 /nfs/dbraw/zinc/19/96/88/1045199688.db2.gz MUPURRYLASLZPZ-AWEZNQCLSA-N 1 0 344.405 4.298 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccncc1 ZINC000766019947 1045228453 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C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000495982608 1045452844 /nfs/dbraw/zinc/45/28/44/1045452844.db2.gz OQTDETOCFBGZOP-INIZCTEOSA-N 1 0 341.455 4.158 20 30 EIEDRO C=CCC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000533531306 1045545364 /nfs/dbraw/zinc/54/53/64/1045545364.db2.gz KMAQAEVDYCETGO-UHFFFAOYSA-N 1 0 327.255 4.220 20 30 EIEDRO Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)cc2)ccc1C#N ZINC000767685443 1045610059 /nfs/dbraw/zinc/61/00/59/1045610059.db2.gz VMUMOYRZTLACTH-UHFFFAOYSA-N 1 0 348.494 4.009 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1Nc1cccc(C#CC(C)(C)O)c1 ZINC001211996124 1045655880 /nfs/dbraw/zinc/65/58/80/1045655880.db2.gz UHYAQVKJIATDBI-UHFFFAOYSA-N 1 0 336.479 4.394 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2CCCc2ccccc2)cc1 ZINC000767905712 1045680618 /nfs/dbraw/zinc/68/06/18/1045680618.db2.gz HDAONWKLJGJGHL-YADHBBJMSA-N 1 0 334.463 4.079 20 30 EIEDRO N#CC1(CCC[N@@H+](Cc2ccccc2)CC2CCC2)CCOCC1 ZINC000282125823 1045713162 /nfs/dbraw/zinc/71/31/62/1045713162.db2.gz 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C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000246503297 1045821026 /nfs/dbraw/zinc/82/10/26/1045821026.db2.gz SSNNGTBONAVQLL-BVYCBKJFSA-N 1 0 333.479 4.457 20 30 EIEDRO C=C(C)COc1cc(C[N@H+](CC)CCc2ccccn2)ccc1OC ZINC000769039554 1045873760 /nfs/dbraw/zinc/87/37/60/1045873760.db2.gz XNFJBHYTBVXXNP-UHFFFAOYSA-N 1 0 340.467 4.110 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)C1CCCCC1 ZINC000769145168 1045883958 /nfs/dbraw/zinc/88/39/58/1045883958.db2.gz DCSXVIHCFXYSMU-UHFFFAOYSA-N 1 0 340.467 4.146 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)C1CCCCC1 ZINC000769146075 1045884467 /nfs/dbraw/zinc/88/44/67/1045884467.db2.gz NQWSMOFJOCIXDE-UHFFFAOYSA-N 1 0 343.471 4.197 20 30 EIEDRO C#CCOc1ccccc1C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000769213658 1045895359 /nfs/dbraw/zinc/89/53/59/1045895359.db2.gz VVUQLIVTTYWIEE-FYYLOGMGSA-N 1 0 349.474 4.298 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000769218120 1045895820 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N#CC1(c2ccccc2)CCC(NC(=[NH2+])c2ccc(F)c(F)c2)CC1 ZINC001170359350 1046013343 /nfs/dbraw/zinc/01/33/43/1046013343.db2.gz SIJGKHKCRMKSSH-UHFFFAOYSA-N 1 0 339.389 4.284 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2c3ccccc3nc2CC[NH3+])CC1 ZINC001170358975 1046014311 /nfs/dbraw/zinc/01/43/11/1046014311.db2.gz JSRWRXXVKZGWHH-UHFFFAOYSA-N 1 0 344.462 4.114 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCCc2ccccn2)CC1 ZINC001170362346 1046015855 /nfs/dbraw/zinc/01/58/55/1046015855.db2.gz YHTOEQXHJUXHHD-UHFFFAOYSA-N 1 0 333.479 4.398 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2c3ccccc3CC[C@H]2O)CC1 ZINC001170369241 1046017576 /nfs/dbraw/zinc/01/75/76/1046017576.db2.gz UVMMJDDJRKUPMB-ACFFJPHRSA-N 1 0 346.474 4.029 20 30 EIEDRO COc1cc(F)ccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170367978 1046017909 /nfs/dbraw/zinc/01/79/09/1046017909.db2.gz KXYTXWIFFDMRSI-UHFFFAOYSA-N 1 0 338.426 4.328 20 30 EIEDRO CC1(C)C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C(C)(C)N1O ZINC001170366952 1046018588 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COc1ccc2c(c1)C[N@H+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170379119 1046034902 /nfs/dbraw/zinc/03/49/02/1046034902.db2.gz QNLDVJYHLUEQGE-UHFFFAOYSA-N 1 0 346.474 4.457 20 30 EIEDRO Cc1cccc(C2(O)CC[NH+](CCCCC(C)(C)C#N)CC2)c1C ZINC000769727331 1046054892 /nfs/dbraw/zinc/05/48/92/1046054892.db2.gz FLRWCHCXNRAWHG-UHFFFAOYSA-N 1 0 328.500 4.307 20 30 EIEDRO C[C@@H]1C[NH+](CCCCC(C)(C)C#N)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000769727280 1046055122 /nfs/dbraw/zinc/05/51/22/1046055122.db2.gz VTSQMVMNKISZFY-HZPDHXFCSA-N 1 0 337.508 4.036 20 30 EIEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000769767655 1046060782 /nfs/dbraw/zinc/06/07/82/1046060782.db2.gz ZRGFVRRKAQRAAU-JKSUJKDBSA-N 1 0 337.508 4.036 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000770000268 1046124954 /nfs/dbraw/zinc/12/49/54/1046124954.db2.gz AVVCPUISESOAML-PMACEKPBSA-N 1 0 340.854 4.472 20 30 EIEDRO C[C@@H](c1ccccc1)[N@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CCC1 ZINC000763411704 1046145045 /nfs/dbraw/zinc/14/50/45/1046145045.db2.gz ULDKNPQUHGAWAP-JTSKRJEESA-N 1 0 334.463 4.455 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCCc2cccc(C(F)(F)F)c2)nc1 ZINC000793152732 1046158920 /nfs/dbraw/zinc/15/89/20/1046158920.db2.gz LCIOCJUIRGNDQZ-UHFFFAOYSA-N 1 0 333.357 4.085 20 30 EIEDRO CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000770302836 1046176396 /nfs/dbraw/zinc/17/63/96/1046176396.db2.gz CSLGGRWKZWYICW-YLJYHZDGSA-N 1 0 349.478 4.208 20 30 EIEDRO CCCCCCCCCN(C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000793269439 1046194284 /nfs/dbraw/zinc/19/42/84/1046194284.db2.gz YLAFISXCECMSQD-UHFFFAOYSA-N 1 0 337.552 4.395 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c(O)c(OC)c1 ZINC000793572728 1046305932 /nfs/dbraw/zinc/30/59/32/1046305932.db2.gz MTMGLDUDBVBFOA-FQEVSTJZSA-N 1 0 338.451 4.107 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c(O)c(OC)c1 ZINC000793572730 1046307556 /nfs/dbraw/zinc/30/75/56/1046307556.db2.gz MTMGLDUDBVBFOA-HXUWFJFHSA-N 1 0 338.451 4.107 20 30 EIEDRO C=CCOc1cccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c1 ZINC000793609831 1046308828 /nfs/dbraw/zinc/30/88/28/1046308828.db2.gz CPUKKFIJCNYIKF-CVEARBPZSA-N 1 0 326.267 4.267 20 30 EIEDRO C=CCOc1ccccc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000793615243 1046311236 /nfs/dbraw/zinc/31/12/36/1046311236.db2.gz NNSSSLWZGJVORN-JKSUJKDBSA-N 1 0 326.267 4.267 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC001127417595 1046324438 /nfs/dbraw/zinc/32/44/38/1046324438.db2.gz YOSTUJIOPHHLDI-OAQYLSRUSA-N 1 0 340.511 4.213 20 30 EIEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000497166425 1046364582 /nfs/dbraw/zinc/36/45/82/1046364582.db2.gz ILCVZSJVUMUOPN-NZEHOUKNSA-N 1 0 349.519 4.132 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCSc1ccnc2cc(Cl)ccc21 ZINC001170442003 1046367575 /nfs/dbraw/zinc/36/75/75/1046367575.db2.gz CKKCKOVFMJPCHV-WBVHZDCISA-N 1 0 348.899 4.304 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CCOC)c2ccc(C)o2)cc1OC ZINC000272357589 1046390951 /nfs/dbraw/zinc/39/09/51/1046390951.db2.gz VUSOKXKMYOMODU-QGZVFWFLSA-N 1 0 345.439 4.029 20 30 EIEDRO N#CCSCCC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126098636 1046438657 /nfs/dbraw/zinc/43/86/57/1046438657.db2.gz FBROOVLBTASENX-CYBMUJFWSA-N 1 0 345.295 4.093 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cscc3Cl)CC2)cc1 ZINC000771953223 1046534646 /nfs/dbraw/zinc/53/46/46/1046534646.db2.gz QHVMECDRRPFJCD-UHFFFAOYSA-N 1 0 331.872 4.032 20 30 EIEDRO CC[NH+](CC)CCN(Cc1ccccc1)c1nc(Cl)c(C#N)s1 ZINC000804539099 1046593725 /nfs/dbraw/zinc/59/37/25/1046593725.db2.gz GQFAQXRTYOYOAK-UHFFFAOYSA-N 1 0 348.903 4.017 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(C#N)ccc1F ZINC000917074951 1046637173 /nfs/dbraw/zinc/63/71/73/1046637173.db2.gz MLKLFILVFVTZMU-UHFFFAOYSA-N 1 0 325.431 4.174 20 30 EIEDRO CC[C@H]1C[C@@]1(NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000459440852 1046668345 /nfs/dbraw/zinc/66/83/45/1046668345.db2.gz ANMZGVGBEZFMLN-JXFKEZNVSA-N 1 0 335.407 4.190 20 30 EIEDRO C[C@@H]1CCC[C@H](C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 ZINC000536740445 1046748539 /nfs/dbraw/zinc/74/85/39/1046748539.db2.gz UDHMVTHOAZLKON-AEFFLSMTSA-N 1 0 339.483 4.035 20 30 EIEDRO C=CCCCCC[NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000785786795 1046750547 /nfs/dbraw/zinc/75/05/47/1046750547.db2.gz LAQPKHVAGJWGGQ-INIZCTEOSA-N 1 0 334.479 4.184 20 30 EIEDRO CC[C@@H]1CC([NH2+]CCCCC#N)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170467583 1046807880 /nfs/dbraw/zinc/80/78/80/1046807880.db2.gz FKNCRKDNAKZOBT-IAGOWNOFSA-N 1 0 337.508 4.227 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](C)c2c(C)noc2C)ccc1OC ZINC000128317627 1046818216 /nfs/dbraw/zinc/81/82/16/1046818216.db2.gz LOZRFMYJFFDEKH-CQSZACIVSA-N 1 0 344.455 4.148 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000536832445 1046824608 /nfs/dbraw/zinc/82/46/08/1046824608.db2.gz JITHIZDNDIMGHR-SLFFLAALSA-N 1 0 326.488 4.289 20 30 EIEDRO CCC1(COC(=O)CC(C)(C)C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000786487578 1046841763 /nfs/dbraw/zinc/84/17/63/1046841763.db2.gz OOFUAGZSTGXUBV-UHFFFAOYSA-N 1 0 342.483 4.162 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000154372530 1046854628 /nfs/dbraw/zinc/85/46/28/1046854628.db2.gz BFKHBBSGZCXIJY-KRWDZBQOSA-N 1 0 333.435 4.260 20 30 EIEDRO CSc1cc(Br)ccc1C[NH2+]CC(C)(C)CC#N ZINC000459728213 1046865510 /nfs/dbraw/zinc/86/55/10/1046865510.db2.gz IIGFWKREOKFKMH-UHFFFAOYSA-N 1 0 327.291 4.200 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000459754970 1046872679 /nfs/dbraw/zinc/87/26/79/1046872679.db2.gz MZEXGEYCYDFPDY-OAQYLSRUSA-N 1 0 325.500 4.081 20 30 EIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)cc1 ZINC000497605352 1046887727 /nfs/dbraw/zinc/88/77/27/1046887727.db2.gz GBJPGZXUNNRBNR-HXUWFJFHSA-N 1 0 336.435 4.173 20 30 EIEDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCOc2ccccc2C#N)C2CC2)o1 ZINC000497613097 1046891487 /nfs/dbraw/zinc/89/14/87/1046891487.db2.gz VXLJHVZBLVQEAQ-BEFAXECRSA-N 1 0 336.435 4.318 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cnn1-c1ccccc1 ZINC000787025355 1046893593 /nfs/dbraw/zinc/89/35/93/1046893593.db2.gz GEPZJQDTHXMXPD-OYHNWAKOSA-N 1 0 342.446 4.391 20 30 EIEDRO C=C(C)CN(CC)C(=O)CN[C@H](C)c1cccc(Cl)c1Cl ZINC000537114269 1046964481 /nfs/dbraw/zinc/96/44/81/1046964481.db2.gz HXGBARXIWQJIDZ-GFCCVEGCSA-N 1 0 329.271 4.069 20 30 EIEDRO Cc1cccc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)C(C)(C)C)c1 ZINC000537135153 1046977075 /nfs/dbraw/zinc/97/70/75/1046977075.db2.gz JGAPVCHNSPOCSP-IBGZPJMESA-N 1 0 341.499 4.015 20 30 EIEDRO CC1CCN([C@H](C[NH2+]Cc2ccc(C#N)s2)c2ccccc2)CC1 ZINC000537275425 1047066026 /nfs/dbraw/zinc/06/60/26/1047066026.db2.gz XNKGLWICOIITAO-HXUWFJFHSA-N 1 0 339.508 4.183 20 30 EIEDRO CCC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000537292234 1047071893 /nfs/dbraw/zinc/07/18/93/1047071893.db2.gz XLRAMJCSDBZWRP-GOSISDBHSA-N 1 0 338.455 4.447 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)C ZINC000537290843 1047072217 /nfs/dbraw/zinc/07/22/17/1047072217.db2.gz MBGGZUCAXAXBNO-YOEHRIQHSA-N 1 0 347.528 4.291 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1cccc(C#N)c1 ZINC000537292330 1047074785 /nfs/dbraw/zinc/07/47/85/1047074785.db2.gz HOAVNIOOUOXXJW-LIRRHRJNSA-N 1 0 327.859 4.165 20 30 EIEDRO CCOc1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OCC ZINC000537294878 1047078229 /nfs/dbraw/zinc/07/82/29/1047078229.db2.gz DOYVIHMLKJPBJW-INIZCTEOSA-N 1 0 338.451 4.249 20 30 EIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000537296855 1047079185 /nfs/dbraw/zinc/07/91/85/1047079185.db2.gz HXPSNRQBWJVOKA-IIBYNOLFSA-N 1 0 349.478 4.029 20 30 EIEDRO C#CC1CC[NH+]([C@@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)CC1 ZINC001170496846 1047091010 /nfs/dbraw/zinc/09/10/10/1047091010.db2.gz MGXUXXRMQNRRDS-REPLKXPHSA-N 1 0 348.531 4.288 20 30 EIEDRO C#CCC1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCCCC1 ZINC000788219052 1047136401 /nfs/dbraw/zinc/13/64/01/1047136401.db2.gz ZSDJEBTUKXJKAS-UXHICEINSA-N 1 0 344.543 4.073 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000806174759 1047160553 /nfs/dbraw/zinc/16/05/53/1047160553.db2.gz NAEGHWUGLMNGCL-MSOLQXFVSA-N 1 0 348.368 4.351 20 30 EIEDRO CC(C)(C#N)CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000537387032 1047175128 /nfs/dbraw/zinc/17/51/28/1047175128.db2.gz XJQMCZTXZGQKQX-UHFFFAOYSA-N 1 0 329.271 4.118 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537400819 1047194456 /nfs/dbraw/zinc/19/44/56/1047194456.db2.gz KDMVODUQKWRNFW-HRAATJIYSA-N 1 0 339.458 4.431 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(C#N)c(F)c1 ZINC000537407127 1047199020 /nfs/dbraw/zinc/19/90/20/1047199020.db2.gz LWAFTNCZBZVNQJ-CQSZACIVSA-N 1 0 339.439 4.153 20 30 EIEDRO C#CCC1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CCCCC1 ZINC000788503095 1047205762 /nfs/dbraw/zinc/20/57/62/1047205762.db2.gz BCPVXWUDDFOIBF-GOSISDBHSA-N 1 0 340.511 4.206 20 30 EIEDRO C#CCC1(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC000788504830 1047206398 /nfs/dbraw/zinc/20/63/98/1047206398.db2.gz FYWHYTQZSKUETA-UHFFFAOYSA-N 1 0 340.511 4.071 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1 ZINC000788538442 1047216781 /nfs/dbraw/zinc/21/67/81/1047216781.db2.gz MRDBZILIMVSHHW-SFTDATJTSA-N 1 0 325.452 4.099 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000788644217 1047245444 /nfs/dbraw/zinc/24/54/44/1047245444.db2.gz MIWSVMAEIZXHNZ-DOTOQJQBSA-N 1 0 341.842 4.193 20 30 EIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCCC3(CC3)C2)c(-c2ccccc2)n1 ZINC000897773281 1047479696 /nfs/dbraw/zinc/47/96/96/1047479696.db2.gz HQLADAJOFYPREX-LJQANCHMSA-N 1 0 334.467 4.276 20 30 EIEDRO C=CCC(C)(C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000556139193 1047489552 /nfs/dbraw/zinc/48/95/52/1047489552.db2.gz YNDQBBCRTQENML-KRWDZBQOSA-N 1 0 328.500 4.369 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc(F)c(F)c2)C1 ZINC000898107221 1047545856 /nfs/dbraw/zinc/54/58/56/1047545856.db2.gz DMCRDPZJBWBVSK-DDUZABMNSA-N 1 0 331.410 4.122 20 30 EIEDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(Br)cc1C#N ZINC000130422642 1047707935 /nfs/dbraw/zinc/70/79/35/1047707935.db2.gz FMDQHHLCGWARKG-CYBMUJFWSA-N 1 0 338.293 4.243 20 30 EIEDRO CC(C)(C)[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000550706298 1047822364 /nfs/dbraw/zinc/82/23/64/1047822364.db2.gz CUOYFYVMTJXGSS-HXUWFJFHSA-N 1 0 340.442 4.107 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)ccc1OC ZINC000747915826 1047877348 /nfs/dbraw/zinc/87/73/48/1047877348.db2.gz NUCDHHDYJXIZSH-IIDMSEBBSA-N 1 0 330.472 4.290 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c1O ZINC000814229386 1047899780 /nfs/dbraw/zinc/89/97/80/1047899780.db2.gz NCJKPPSVKLOLMM-HXUWFJFHSA-N 1 0 338.451 4.107 20 30 EIEDRO N#Cc1ccc(C(=[NH2+])N[C@@H]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001171065215 1047927087 /nfs/dbraw/zinc/92/70/87/1047927087.db2.gz VTKNHOMGKGXDTP-OAHLLOKOSA-N 1 0 344.245 4.128 20 30 EIEDRO CC(C)(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC001171068864 1047951905 /nfs/dbraw/zinc/95/19/05/1047951905.db2.gz PIOJFGIBKWNJMW-KRWDZBQOSA-N 1 0 341.499 4.424 20 30 EIEDRO Cc1ccc2c(C[N@@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)c[nH]c2c1 ZINC001136976501 1048013878 /nfs/dbraw/zinc/01/38/78/1048013878.db2.gz CYYVCJZHSNFKPN-FQEVSTJZSA-N 1 0 345.446 4.391 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000825045603 1048024340 /nfs/dbraw/zinc/02/43/40/1048024340.db2.gz HYNSGHNJNMQAHH-QGZVFWFLSA-N 1 0 345.364 4.283 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCC2(CCCC2)O1 ZINC000556839939 1048055743 /nfs/dbraw/zinc/05/57/43/1048055743.db2.gz RYAXGOXDEHOMKV-LJQANCHMSA-N 1 0 331.504 4.334 20 30 EIEDRO Cc1cccc(C(C)(C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000556870653 1048086695 /nfs/dbraw/zinc/08/66/95/1048086695.db2.gz PSRMMBYALJSXTO-UHFFFAOYSA-N 1 0 347.506 4.403 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1 ZINC000814658449 1048103958 /nfs/dbraw/zinc/10/39/58/1048103958.db2.gz DLDIBLIHMXKOFT-IBGZPJMESA-N 1 0 348.402 4.023 20 30 EIEDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1O ZINC000814659037 1048104680 /nfs/dbraw/zinc/10/46/80/1048104680.db2.gz JCMSCVQSZCIWLV-LJQANCHMSA-N 1 0 340.398 4.259 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000814659456 1048104748 /nfs/dbraw/zinc/10/47/48/1048104748.db2.gz NRMHYIAGQNXPMM-RTBURBONSA-N 1 0 330.378 4.023 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)ccc1F ZINC000808787526 1048108649 /nfs/dbraw/zinc/10/86/49/1048108649.db2.gz UVCHSFXTDFOJHL-FCHUYYIVSA-N 1 0 346.405 4.262 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)c1ccco1 ZINC000556880368 1048114423 /nfs/dbraw/zinc/11/44/23/1048114423.db2.gz NIAAFKIZRBOQPG-OBXNSHGQSA-N 1 0 325.452 4.433 20 30 EIEDRO N#Cc1cccc(Cl)c1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001143722893 1048175420 /nfs/dbraw/zinc/17/54/20/1048175420.db2.gz KQFDZSQNHYAFGJ-KPFFTGBYSA-N 1 0 344.886 4.239 20 30 EIEDRO CC[NH+](CC)Cc1ccc(C(=O)OC[C@H]2CC[C@@H](C#N)CC2)cc1 ZINC000809087590 1048202428 /nfs/dbraw/zinc/20/24/28/1048202428.db2.gz IREPTWKXRUYLKR-MAEOIBBWSA-N 1 0 328.456 4.015 20 30 EIEDRO C[C@@H]1C(N=Nc2cnnc3ccccc23)CCC[N@@H+]1Cc1ccccc1 ZINC000814849367 1048204725 /nfs/dbraw/zinc/20/47/25/1048204725.db2.gz RTJRZCKIIRWFDD-MRXNPFEDSA-N 1 0 345.450 4.082 20 30 EIEDRO CN(Cc1cccc(C#N)c1)Cc1ccc(OC(F)(F)F)cc1F ZINC001143792740 1048204924 /nfs/dbraw/zinc/20/49/24/1048204924.db2.gz BWBPCXPCTUVIDT-UHFFFAOYSA-N 1 0 338.304 4.228 20 30 EIEDRO CC(=NNc1ccc(C#N)c(Cl)c1)c1cccc(C[NH+](C)C)c1 ZINC000814901296 1048223322 /nfs/dbraw/zinc/22/33/22/1048223322.db2.gz HLRCZGMDUYABRH-UHFFFAOYSA-N 1 0 326.831 4.109 20 30 EIEDRO CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(C[NH+](C)C)cc1 ZINC000814902514 1048224977 /nfs/dbraw/zinc/22/49/77/1048224977.db2.gz FIFKJTUIMQFUCL-UHFFFAOYSA-N 1 0 326.831 4.109 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c(O)c(OC)c1 ZINC000844256937 1048269144 /nfs/dbraw/zinc/26/91/44/1048269144.db2.gz AMTXHEYCTAUPOJ-FQEVSTJZSA-N 1 0 337.463 4.336 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ccc(F)c(F)c2)c1O ZINC000919940123 1048323506 /nfs/dbraw/zinc/32/35/06/1048323506.db2.gz OUBWJKRWCGKGDN-UHFFFAOYSA-N 1 0 347.405 4.430 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000815141758 1048363827 /nfs/dbraw/zinc/36/38/27/1048363827.db2.gz GURHJCLVQFLAHN-UHFFFAOYSA-N 1 0 327.827 4.216 20 30 EIEDRO N#Cc1cncc(C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)c1 ZINC001144083938 1048413705 /nfs/dbraw/zinc/41/37/05/1048413705.db2.gz ZJEUAEKLHKXVGM-UHFFFAOYSA-N 1 0 345.368 4.352 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)cc1 ZINC000809609820 1048419327 /nfs/dbraw/zinc/41/93/27/1048419327.db2.gz PCOIRJCBUUABJA-UHFFFAOYSA-N 1 0 329.447 4.069 20 30 EIEDRO CC#CCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000499211634 1048420320 /nfs/dbraw/zinc/42/03/20/1048420320.db2.gz IBNIHJDHDZLFMX-UHFFFAOYSA-N 1 0 326.827 4.095 20 30 EIEDRO C#Cc1ccc(CNc2ccc(C[NH+]3CCSCC3)cc2C)cc1 ZINC000809600702 1048435454 /nfs/dbraw/zinc/43/54/54/1048435454.db2.gz XPUQPWNOFUYYKC-UHFFFAOYSA-N 1 0 336.504 4.137 20 30 EIEDRO C#Cc1ccc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000809602990 1048436515 /nfs/dbraw/zinc/43/65/15/1048436515.db2.gz GAEFAHKPDLRJLC-UHFFFAOYSA-N 1 0 338.882 4.076 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OC)cc2OC2CCCC2)cc1 ZINC000809625211 1048441262 /nfs/dbraw/zinc/44/12/62/1048441262.db2.gz ZXJFXEXQDDZJNO-UHFFFAOYSA-N 1 0 335.447 4.288 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000155170638 1048441876 /nfs/dbraw/zinc/44/18/76/1048441876.db2.gz JCHBOAAELYSNAJ-JOCHJYFZSA-N 1 0 349.478 4.382 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2c(c1)CCC=C2)C(C)C ZINC001144197084 1048489101 /nfs/dbraw/zinc/48/91/01/1048489101.db2.gz CXKKXXSATIUHEW-OAQYLSRUSA-N 1 0 338.495 4.074 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2F)cc1 ZINC000809719610 1048497470 /nfs/dbraw/zinc/49/74/70/1048497470.db2.gz KBPCVTDHIOAIMY-GFCCVEGCSA-N 1 0 332.216 4.420 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000809737659 1048508293 /nfs/dbraw/zinc/50/82/93/1048508293.db2.gz INUXTCIMCGARCE-INIZCTEOSA-N 1 0 336.435 4.095 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000815642851 1048568657 /nfs/dbraw/zinc/56/86/57/1048568657.db2.gz NIBSNHRXBGCVHV-KBPBESRZSA-N 1 0 332.831 4.330 20 30 EIEDRO COc1c(C)cc(C[NH2+]CCSCc2ccccc2C#N)cc1C ZINC000920176108 1048575029 /nfs/dbraw/zinc/57/50/29/1048575029.db2.gz QHTLSWWQWMCTOB-UHFFFAOYSA-N 1 0 340.492 4.207 20 30 EIEDRO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCOC(C)(C)C1 ZINC000810042914 1048606681 /nfs/dbraw/zinc/60/66/81/1048606681.db2.gz BVGZCRCBMNIUEH-MRXNPFEDSA-N 1 0 336.863 4.022 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc4[nH]cc(CC#N)c43)c2c1 ZINC001171166933 1048610730 /nfs/dbraw/zinc/61/07/30/1048610730.db2.gz FPMZSRKAEMNGPW-OAHLLOKOSA-N 1 0 342.446 4.376 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc4c(C#N)nccc4c3)c2c1 ZINC001171169060 1048619878 /nfs/dbraw/zinc/61/98/78/1048619878.db2.gz YHYZXRNGAJOMDW-OAHLLOKOSA-N 1 0 340.430 4.249 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128840 1048639110 /nfs/dbraw/zinc/63/91/10/1048639110.db2.gz KDNLHFDEOXYZFH-IRXDYDNUSA-N 1 0 347.462 4.487 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)ccc1OC ZINC000810144694 1048647964 /nfs/dbraw/zinc/64/79/64/1048647964.db2.gz FKKPMCSTNQHHSB-ZYSHUDEJSA-N 1 0 342.483 4.458 20 30 EIEDRO C=CCOCc1nn(C)c2c1C[N@H+]([C@H](CC)CCCCCC)CC2 ZINC001170599272 1048655797 /nfs/dbraw/zinc/65/57/97/1048655797.db2.gz MWXCYPCYTMYGNC-QGZVFWFLSA-N 1 0 333.520 4.230 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000810153497 1048660107 /nfs/dbraw/zinc/66/01/07/1048660107.db2.gz YLZUTMCMCFFVJI-SKDRFNHKSA-N 1 0 347.178 4.250 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(N2CCCCC2)c1 ZINC001171180679 1048667077 /nfs/dbraw/zinc/66/70/77/1048667077.db2.gz CCCIUTQMEYBEBJ-GOSISDBHSA-N 1 0 333.479 4.269 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001171182459 1048674490 /nfs/dbraw/zinc/67/44/90/1048674490.db2.gz VKCYDHILIPHQIP-DNVFCKCGSA-N 1 0 347.506 4.132 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC001171189298 1048685493 /nfs/dbraw/zinc/68/54/93/1048685493.db2.gz CPQAAEJJIWQWEE-CQSZACIVSA-N 1 0 332.369 4.340 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC001171189880 1048686966 /nfs/dbraw/zinc/68/69/66/1048686966.db2.gz NTKKTKZTYQMHEA-AWEZNQCLSA-N 1 0 348.368 4.220 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccccc1C(F)(F)F ZINC001171191960 1048693510 /nfs/dbraw/zinc/69/35/10/1048693510.db2.gz IYYIXXPGERFHBG-CQSZACIVSA-N 1 0 332.369 4.340 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCO)c1cccc2ccccc21 ZINC001171190322 1048693541 /nfs/dbraw/zinc/69/35/41/1048693541.db2.gz RZHRDRRUUMPXAI-SBUREZEXSA-N 1 0 344.458 4.356 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1c2ccc(F)cc2c2c1C[C@@H]([NH3+])CC2 ZINC001171194463 1048699433 /nfs/dbraw/zinc/69/94/33/1048699433.db2.gz JPJJNSOHVCQUJS-KSSFIOAISA-N 1 0 347.437 4.272 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)OCc3ccccc3)cc2)C1 ZINC000810250000 1048726106 /nfs/dbraw/zinc/72/61/06/1048726106.db2.gz KDEHIBRTUCNAFC-TZIWHRDSSA-N 1 0 348.446 4.216 20 30 EIEDRO C#Cc1ccc(C[N@@H+](CCC)[C@H](C)C(=O)Nc2ccccc2C)cc1 ZINC001144579007 1048730121 /nfs/dbraw/zinc/73/01/21/1048730121.db2.gz VOKWMVMNMZLFPJ-GOSISDBHSA-N 1 0 334.463 4.216 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)cc1 ZINC001144572070 1048733200 /nfs/dbraw/zinc/73/32/00/1048733200.db2.gz ORUKUNVRYFHHAU-QFIPXVFZSA-N 1 0 331.459 4.207 20 30 EIEDRO CCCCCC[C@@H](CC)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001170602001 1048746546 /nfs/dbraw/zinc/74/65/46/1048746546.db2.gz VJWFPRUNONAMNH-LJQANCHMSA-N 1 0 328.504 4.214 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001171201305 1048759044 /nfs/dbraw/zinc/75/90/44/1048759044.db2.gz KCYQSXYZDXMNIB-ZDUSSCGKSA-N 1 0 343.352 4.170 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000845944259 1048769338 /nfs/dbraw/zinc/76/93/38/1048769338.db2.gz NZTDOXRKUQSPHQ-MJGOQNOKSA-N 1 0 327.516 4.056 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@@](C)(O)c1ccccc1 ZINC000846036164 1048801312 /nfs/dbraw/zinc/80/13/12/1048801312.db2.gz JCCVWLAJNDEMCE-CCKJBCASSA-N 1 0 348.490 4.276 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@@](C)(O)c1ccccc1 ZINC000846036175 1048802215 /nfs/dbraw/zinc/80/22/15/1048802215.db2.gz JCCVWLAJNDEMCE-KBYPABAUSA-N 1 0 348.490 4.276 20 30 EIEDRO Oc1cccc(/C=N\C[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1O ZINC000920944433 1048817579 /nfs/dbraw/zinc/81/75/79/1048817579.db2.gz GBYOXUVXDJQIQB-CTPANLQCSA-N 1 0 344.842 4.007 20 30 EIEDRO COc1ccc(O)c(/C=N\CC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000920944894 1048818666 /nfs/dbraw/zinc/81/86/66/1048818666.db2.gz ULXRVSWQOCAYMZ-QNGOZBTKSA-N 1 0 330.472 4.009 20 30 EIEDRO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)cc1 ZINC001144721360 1048831259 /nfs/dbraw/zinc/83/12/59/1048831259.db2.gz IYMADNMMVWPBQT-FQEVSTJZSA-N 1 0 331.419 4.083 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC001171221553 1048853928 /nfs/dbraw/zinc/85/39/28/1048853928.db2.gz OXLYLAPFYFTGNX-KRWDZBQOSA-N 1 0 332.447 4.011 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1ccc(Br)cc1 ZINC001171221933 1048858026 /nfs/dbraw/zinc/85/80/26/1048858026.db2.gz XJYCTVBBYMKNAR-AWEZNQCLSA-N 1 0 343.268 4.384 20 30 EIEDRO COc1cccc(CC2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171229383 1048870027 /nfs/dbraw/zinc/87/00/27/1048870027.db2.gz MYLRNDUMQRRIIN-GOSISDBHSA-N 1 0 348.490 4.453 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CC2(CC(OCc3ccccc3)C2)C1 ZINC001171229462 1048870053 /nfs/dbraw/zinc/87/00/53/1048870053.db2.gz NQTLWVCNDAMNLD-GOSISDBHSA-N 1 0 346.474 4.170 20 30 EIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cnnc2ccccc12 ZINC000747631999 1048870705 /nfs/dbraw/zinc/87/07/05/1048870705.db2.gz ZPYNNGIWFQWTRW-UHFFFAOYSA-N 1 0 347.466 4.186 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001171229998 1048870655 /nfs/dbraw/zinc/87/06/55/1048870655.db2.gz ADKOSGWMGQMDQG-LJQANCHMSA-N 1 0 328.459 4.253 20 30 EIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171231675 1048870885 /nfs/dbraw/zinc/87/08/85/1048870885.db2.gz KRFGOUQVAOMVIN-AVRDEDQJSA-N 1 0 348.490 4.453 20 30 EIEDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171230240 1048871548 /nfs/dbraw/zinc/87/15/48/1048871548.db2.gz CACMRGGSZLPOTF-DYESRHJHSA-N 1 0 334.463 4.473 20 30 EIEDRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660862 1048899099 /nfs/dbraw/zinc/89/90/99/1048899099.db2.gz WGISLZMUVFTUKR-PMACEKPBSA-N 1 0 341.426 4.139 20 30 EIEDRO C=CCCCN(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000076738065 1048938369 /nfs/dbraw/zinc/93/83/69/1048938369.db2.gz VTXMKQQRZBFHGU-UHFFFAOYSA-N 1 0 339.464 4.050 20 30 EIEDRO C=CCCC[N@@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000076801923 1048944669 /nfs/dbraw/zinc/94/46/69/1048944669.db2.gz ZDEFBLJKEVFYCY-OLZOCXBDSA-N 1 0 345.512 4.068 20 30 EIEDRO C[C@H](CCc1ccc(Cl)s1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772958753 1048956692 /nfs/dbraw/zinc/95/66/92/1048956692.db2.gz HLGIZKTZQPKWJE-CYBMUJFWSA-N 1 0 334.872 4.415 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(O)c(OC)c1 ZINC000817366057 1048958572 /nfs/dbraw/zinc/95/85/72/1048958572.db2.gz TUMAOHHDCAEMMM-CQSZACIVSA-N 1 0 343.389 4.294 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817412014 1048962792 /nfs/dbraw/zinc/96/27/92/1048962792.db2.gz BDDVNEYUHYWQNY-UKRRQHHQSA-N 1 0 326.362 4.142 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000772960741 1048997064 /nfs/dbraw/zinc/99/70/64/1048997064.db2.gz VQCHAFIPQBWXIL-UEXGIBASSA-N 1 0 349.478 4.075 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2csc(C#N)c2)cc1OCC ZINC000921487272 1049002759 /nfs/dbraw/zinc/00/27/59/1049002759.db2.gz GTSVSZZQVVXMLY-CYBMUJFWSA-N 1 0 330.453 4.268 20 30 EIEDRO COc1cc(Cl)ccc1[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817579351 1049009839 /nfs/dbraw/zinc/00/98/39/1049009839.db2.gz XHLYQUZBSXQABH-ZDUSSCGKSA-N 1 0 330.815 4.102 20 30 EIEDRO Cc1c[nH]c2c1cccc2NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277789 1049034016 /nfs/dbraw/zinc/03/40/16/1049034016.db2.gz VXQMJHKGLPOQCG-UHFFFAOYSA-N 1 0 344.462 4.447 20 30 EIEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC001170633469 1049037232 /nfs/dbraw/zinc/03/72/32/1049037232.db2.gz YDGDLBGQRMVZCK-HNNXBMFYSA-N 1 0 333.273 4.356 20 30 EIEDRO CCOc1cccc(/C=N\Cc2ccc(C[NH+]3CCCC3)cc2)c1O ZINC000747713434 1049056435 /nfs/dbraw/zinc/05/64/35/1049056435.db2.gz XWZJAKSNWQXKLH-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO CC[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CC1(C)C ZINC001171287989 1049061785 /nfs/dbraw/zinc/06/17/85/1049061785.db2.gz YVWNAQLRCUGWOM-HOTGVXAUSA-N 1 0 325.374 4.351 20 30 EIEDRO C=CC[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001146833925 1049063452 /nfs/dbraw/zinc/06/34/52/1049063452.db2.gz SOIZJLHJXWHENQ-DZFGPLHGSA-N 1 0 340.511 4.006 20 30 EIEDRO CC[N@H+](CCc1ccccn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811457077 1049071522 /nfs/dbraw/zinc/07/15/22/1049071522.db2.gz GWJDDFYRBJQLFS-UHFFFAOYSA-N 1 0 333.357 4.037 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)cc1 ZINC000811520007 1049106979 /nfs/dbraw/zinc/10/69/79/1049106979.db2.gz IMCZXYYSOSZTHA-QGZVFWFLSA-N 1 0 332.447 4.036 20 30 EIEDRO CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000135315942 1049112347 /nfs/dbraw/zinc/11/23/47/1049112347.db2.gz OPFUKKKDZQMPBO-INIZCTEOSA-N 1 0 345.512 4.141 20 30 EIEDRO Cc1ccc([C@@H](O)[C@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000811505335 1049118203 /nfs/dbraw/zinc/11/82/03/1049118203.db2.gz AXUNAMSASRQSJD-UGSOOPFHSA-N 1 0 348.368 4.097 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000811513111 1049125030 /nfs/dbraw/zinc/12/50/30/1049125030.db2.gz WIJZQZXPMAJSIF-UHFFFAOYSA-N 1 0 334.394 4.328 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000818346887 1049129095 /nfs/dbraw/zinc/12/90/95/1049129095.db2.gz JPAIGFZFRMSGEP-YOLZPYMBSA-N 1 0 343.511 4.121 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(C#N)cc1 ZINC000818342315 1049135899 /nfs/dbraw/zinc/13/58/99/1049135899.db2.gz OWNNKKKMQNGKKO-XMSQKQJNSA-N 1 0 349.478 4.134 20 30 EIEDRO CCCCCCCC[NH+]1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC001170905295 1049159803 /nfs/dbraw/zinc/15/98/03/1049159803.db2.gz NQDSHENDEJTJGT-UHFFFAOYSA-N 1 0 338.517 4.017 20 30 EIEDRO CC(=[NH+]NC[C@@H]1CCSC1)c1ccc(N2CCCCCC2)cc1 ZINC000811659935 1049198344 /nfs/dbraw/zinc/19/83/44/1049198344.db2.gz BXKKHSAQQJTOHB-KRWDZBQOSA-N 1 0 331.529 4.134 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CC[C@@H]2CCCO2)Cc2cccc(F)c2)cc1 ZINC000195600418 1049261494 /nfs/dbraw/zinc/26/14/94/1049261494.db2.gz KHZOWLYQSFFTKN-NRFANRHFSA-N 1 0 338.426 4.269 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1 ZINC000609736732 1049304808 /nfs/dbraw/zinc/30/48/08/1049304808.db2.gz NIHZUTWBUXFBDQ-UWJYYQICSA-N 1 0 341.499 4.121 20 30 EIEDRO Cc1cccc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)c1C#N ZINC001170646906 1049308755 /nfs/dbraw/zinc/30/87/55/1049308755.db2.gz YBWKUZDPEIRMNP-SQKGIWRMSA-N 1 0 345.490 4.499 20 30 EIEDRO C=CCCC[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)c1ccccc1 ZINC001133168502 1049373762 /nfs/dbraw/zinc/37/37/62/1049373762.db2.gz YODPDGGQOWQIHX-HXUWFJFHSA-N 1 0 333.435 4.470 20 30 EIEDRO C#CCSCC[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000773010582 1049522439 /nfs/dbraw/zinc/52/24/39/1049522439.db2.gz NZRURDIBHRPZBZ-GFCCVEGCSA-N 1 0 334.485 4.275 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000610132766 1049555436 /nfs/dbraw/zinc/55/54/36/1049555436.db2.gz BVBGYFCBTZRRJJ-AWEZNQCLSA-N 1 0 344.842 4.292 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000610132767 1049556231 /nfs/dbraw/zinc/55/62/31/1049556231.db2.gz BVBGYFCBTZRRJJ-CQSZACIVSA-N 1 0 344.842 4.292 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)cc1C#N ZINC000773084583 1049569072 /nfs/dbraw/zinc/56/90/72/1049569072.db2.gz UILIXCLLWIBNLG-ZDUSSCGKSA-N 1 0 342.464 4.148 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000821022170 1049589119 /nfs/dbraw/zinc/58/91/19/1049589119.db2.gz PKTGGRHBXGVJBS-RMKNXTFCSA-N 1 0 344.798 4.206 20 30 EIEDRO CCOc1cc(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)ccc1OC ZINC000821023028 1049589595 /nfs/dbraw/zinc/58/95/95/1049589595.db2.gz XALHEKLZHOQPRO-PKNBQFBNSA-N 1 0 339.435 4.052 20 30 EIEDRO C#CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000773114257 1049591196 /nfs/dbraw/zinc/59/11/96/1049591196.db2.gz HMQHZMPDCMTBKL-QFIPXVFZSA-N 1 0 334.463 4.018 20 30 EIEDRO C#C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000812794342 1049592087 /nfs/dbraw/zinc/59/20/87/1049592087.db2.gz YYRXNTWZWPYXHJ-ORFBVSJDSA-N 1 0 332.422 4.494 20 30 EIEDRO C#C[C@H](N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793270 1049592960 /nfs/dbraw/zinc/59/29/60/1049592960.db2.gz RJMUFUKHLZRMLV-WEYGHZABSA-N 1 0 336.454 4.000 20 30 EIEDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237550412 1049607070 /nfs/dbraw/zinc/60/70/70/1049607070.db2.gz YWQAFAOREXDUFX-PXNSSMCTSA-N 1 0 330.472 4.054 20 30 EIEDRO CC[N@H+](CC#Cc1ccccc1Cl)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847705 1049609846 /nfs/dbraw/zinc/60/98/46/1049609846.db2.gz FTGWHQDMVNFFFL-UZLBHIALSA-N 1 0 327.855 4.136 20 30 EIEDRO CC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853503 1049613190 /nfs/dbraw/zinc/61/31/90/1049613190.db2.gz RIHSHPGWXDIIBN-LIRRHRJNSA-N 1 0 328.843 4.156 20 30 EIEDRO N#CCC[N@@H+](CCC(=O)Nc1ccccc1-c1ccccc1)CC1CC1 ZINC000081065700 1049620042 /nfs/dbraw/zinc/62/00/42/1049620042.db2.gz CDLPMQDNPZZGEJ-UHFFFAOYSA-N 1 0 347.462 4.308 20 30 EIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001133494662 1049620616 /nfs/dbraw/zinc/62/06/16/1049620616.db2.gz QIFKLTSFNKLEPR-RCCFBDPRSA-N 1 0 340.577 4.069 20 30 EIEDRO Cc1ccc(F)cc1NC(=O)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC001171400280 1049621479 /nfs/dbraw/zinc/62/14/79/1049621479.db2.gz VRIVPKXRPXZKAV-OAHLLOKOSA-N 1 0 339.414 4.027 20 30 EIEDRO Cc1ccc(OCCCC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237567253 1049624807 /nfs/dbraw/zinc/62/48/07/1049624807.db2.gz KYHCWFPUVKBZIK-GOSISDBHSA-N 1 0 338.451 4.235 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000237576620 1049633165 /nfs/dbraw/zinc/63/31/65/1049633165.db2.gz JQKVMYPVSHPBQS-CYBMUJFWSA-N 1 0 334.341 4.286 20 30 EIEDRO Fc1cccc2c1CC[C@@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C2 ZINC001171417650 1049654087 /nfs/dbraw/zinc/65/40/87/1049654087.db2.gz DKZMZMWDJUHVLP-SNVBAGLBSA-N 1 0 343.286 4.404 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000237604893 1049659691 /nfs/dbraw/zinc/65/96/91/1049659691.db2.gz VZSVLVSAQHTUSC-FZKQIMNGSA-N 1 0 342.439 4.443 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000067982691 1049670968 /nfs/dbraw/zinc/67/09/68/1049670968.db2.gz VLFYDCRXTPAYGP-UHFFFAOYSA-N 1 0 348.899 4.292 20 30 EIEDRO C#CCCCCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000773279341 1049694329 /nfs/dbraw/zinc/69/43/29/1049694329.db2.gz XGNJPURDKFOBDY-UHFFFAOYSA-N 1 0 340.511 4.261 20 30 EIEDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001171458132 1049712029 /nfs/dbraw/zinc/71/20/29/1049712029.db2.gz NMOMGRZJBIAGAT-QUCCMNQESA-N 1 0 326.484 4.475 20 30 EIEDRO N#Cc1ccccc1OCC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC001171533202 1049735347 /nfs/dbraw/zinc/73/53/47/1049735347.db2.gz QHROGDXOYPDROF-UHFFFAOYSA-N 1 0 342.389 4.095 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000237745461 1049735957 /nfs/dbraw/zinc/73/59/57/1049735957.db2.gz GVQQRPNTGBFPSO-UHFFFAOYSA-N 1 0 337.316 4.146 20 30 EIEDRO Fc1cccc2c1C[C@@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)CC2 ZINC001170978397 1049736013 /nfs/dbraw/zinc/73/60/13/1049736013.db2.gz VVEJTFOQMCJYRU-JTQLQIEISA-N 1 0 343.286 4.404 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC2(C#N)CCC2)C[C@@H]1C(C)(C)C ZINC001171584587 1049751232 /nfs/dbraw/zinc/75/12/32/1049751232.db2.gz IRJZXBLJYQLVHT-HZPDHXFCSA-N 1 0 349.519 4.084 20 30 EIEDRO Cc1cccc2c1CC[C@H](n1cc(CC[NH3+])c3cc(C#N)ccc31)C2 ZINC001171560685 1049756038 /nfs/dbraw/zinc/75/60/38/1049756038.db2.gz VUCMMEBXRKWXOG-IBGZPJMESA-N 1 0 329.447 4.053 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccccc1 ZINC000772858823 1049760731 /nfs/dbraw/zinc/76/07/31/1049760731.db2.gz YRKVROVMYVAICY-WOJBJXKFSA-N 1 0 341.451 4.034 20 30 EIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)C2 ZINC001171672689 1049775362 /nfs/dbraw/zinc/77/53/62/1049775362.db2.gz CXFGSUWOXVVPTA-ILWGZMRPSA-N 1 0 343.511 4.142 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000237840630 1049780399 /nfs/dbraw/zinc/78/03/99/1049780399.db2.gz DOYMXGJLTNNDGX-UHFFFAOYSA-N 1 0 333.353 4.397 20 30 EIEDRO C#CC1CC[NH+]([C@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)CC1 ZINC001171825061 1049802547 /nfs/dbraw/zinc/80/25/47/1049802547.db2.gz MGXUXXRMQNRRDS-BWTSREIZSA-N 1 0 348.531 4.288 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC)c1ccncc1 ZINC000747872337 1049811113 /nfs/dbraw/zinc/81/11/13/1049811113.db2.gz WPSOFKGAFPKKLA-LIRRHRJNSA-N 1 0 339.439 4.017 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001171005625 1049819777 /nfs/dbraw/zinc/81/97/77/1049819777.db2.gz PSCGJFRDKNJDOD-FQEVSTJZSA-N 1 0 334.438 4.434 20 30 EIEDRO CC(C)Cc1ccccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC001171936991 1049830037 /nfs/dbraw/zinc/83/00/37/1049830037.db2.gz IWQOTTYVVYTKJU-UHFFFAOYSA-N 1 0 339.508 4.140 20 30 EIEDRO CC1(C)C[C@H](NC2(CC#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977635 1049836912 /nfs/dbraw/zinc/83/69/12/1049836912.db2.gz SNIXGFKQYFWBCJ-LJQANCHMSA-N 1 0 325.500 4.246 20 30 EIEDRO CC1(C)C[C@H](NCC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171983863 1049840653 /nfs/dbraw/zinc/84/06/53/1049840653.db2.gz QDINFPVBQFEAIP-JOCHJYFZSA-N 1 0 332.491 4.071 20 30 EIEDRO C#CCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172051956 1049843016 /nfs/dbraw/zinc/84/30/16/1049843016.db2.gz AMJRGKYYDAFVAZ-SFHVURJKSA-N 1 0 348.531 4.482 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000823616591 1049863291 /nfs/dbraw/zinc/86/32/91/1049863291.db2.gz ATKOQWMFXMLYRQ-ACJLOTCBSA-N 1 0 348.368 4.303 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000823617258 1049863323 /nfs/dbraw/zinc/86/33/23/1049863323.db2.gz HXBXGPFPPSKUBV-KPZWWZAWSA-N 1 0 332.806 4.077 20 30 EIEDRO C[C@@H](C#N)Oc1ccccc1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000180206659 1049865191 /nfs/dbraw/zinc/86/51/91/1049865191.db2.gz SRXAVNIVDOLIOG-AOIWGVFYSA-N 1 0 341.499 4.432 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccnc(Cl)c1)C1CC1 ZINC001172301591 1049873304 /nfs/dbraw/zinc/87/33/04/1049873304.db2.gz RZPXGRDLMKAIOA-DJJJIMSYSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(-c2ccccc2F)no1 ZINC001172304176 1049873920 /nfs/dbraw/zinc/87/39/20/1049873920.db2.gz IULSAEUKRPLHII-CQSZACIVSA-N 1 0 335.382 4.073 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001172304327 1049874030 /nfs/dbraw/zinc/87/40/30/1049874030.db2.gz JNIQQKCHQOQDSN-ZDUSSCGKSA-N 1 0 343.352 4.170 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccsc1Br ZINC001172309014 1049874779 /nfs/dbraw/zinc/87/47/79/1049874779.db2.gz PCWTZTSFZSYYJA-LBPRGKRZSA-N 1 0 349.297 4.146 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001172313960 1049875538 /nfs/dbraw/zinc/87/55/38/1049875538.db2.gz DMKSYRARRHJQRA-QGZVFWFLSA-N 1 0 347.437 4.186 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC001172291341 1049881106 /nfs/dbraw/zinc/88/11/06/1049881106.db2.gz XMIWXEZGHZJQPD-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CO)c1ccc(Cl)cc1Cl ZINC001172293100 1049881679 /nfs/dbraw/zinc/88/16/79/1049881679.db2.gz BFGXDGGCUXCQHT-SGTLLEGYSA-N 1 0 349.261 4.119 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCC23CCC3)ccc1OC ZINC000823848365 1049881560 /nfs/dbraw/zinc/88/15/60/1049881560.db2.gz UTTNWHOZNXCFQA-VQIMIIECSA-N 1 0 328.456 4.189 20 30 EIEDRO COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@H](C)Cc1ccc(C#N)cc1 ZINC001172295475 1049881785 /nfs/dbraw/zinc/88/17/85/1049881785.db2.gz RYMYASKWGJNHFJ-HZPDHXFCSA-N 1 0 347.462 4.215 20 30 EIEDRO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172299206 1049882967 /nfs/dbraw/zinc/88/29/67/1049882967.db2.gz KEWYOMBGKXUJEG-LPHOPBHVSA-N 1 0 344.499 4.225 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000823871477 1049883011 /nfs/dbraw/zinc/88/30/11/1049883011.db2.gz IWKVVBSLXZSVPR-DSSZZKGTSA-N 1 0 327.255 4.089 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001172298911 1049883066 /nfs/dbraw/zinc/88/30/66/1049883066.db2.gz DYNLBPJZJVQZKN-KZULUSFZSA-N 1 0 349.261 4.119 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC001136807911 1049890183 /nfs/dbraw/zinc/89/01/83/1049890183.db2.gz LDOLAPPMCNLJLV-UHFFFAOYSA-N 1 0 332.513 4.309 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]CC1CCN(c2cnccn2)CC1 ZINC001172352138 1049892186 /nfs/dbraw/zinc/89/21/86/1049892186.db2.gz YZXSRKKEPDSGPF-LJQANCHMSA-N 1 0 332.536 4.422 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001172350422 1049892475 /nfs/dbraw/zinc/89/24/75/1049892475.db2.gz NJPSDBFSFGVSGG-RBUKOAKNSA-N 1 0 331.504 4.025 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001172354250 1049892835 /nfs/dbraw/zinc/89/28/35/1049892835.db2.gz FTJIZMKPWFMWQO-RTBURBONSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@H](CC)N(c1ncc(F)cn1)C1CC[NH2+]CC1 ZINC001172357145 1049894197 /nfs/dbraw/zinc/89/41/97/1049894197.db2.gz CQUFWULBEGYOJB-KRWDZBQOSA-N 1 0 336.499 4.313 20 30 EIEDRO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H](CC)CCCCCCC ZINC001172358667 1049895434 /nfs/dbraw/zinc/89/54/34/1049895434.db2.gz SBDXIGYPFFNTEO-MJGOQNOKSA-N 1 0 348.535 4.056 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(CSCc2ccccc2)c1 ZINC001136809058 1049895799 /nfs/dbraw/zinc/89/57/99/1049895799.db2.gz CUGLXZJHILRPOS-UHFFFAOYSA-N 1 0 340.492 4.176 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172483796 1049910793 /nfs/dbraw/zinc/91/07/93/1049910793.db2.gz UJSKNEWIUWIOEC-VXESANQCSA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001172483754 1049910930 /nfs/dbraw/zinc/91/09/30/1049910930.db2.gz SZKPXFAGQXWGOB-LJQANCHMSA-N 1 0 347.506 4.380 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172483781 1049911331 /nfs/dbraw/zinc/91/13/31/1049911331.db2.gz UEYWOMZHVDPSNR-HLIPFELVSA-N 1 0 349.519 4.228 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000616750715 1049917167 /nfs/dbraw/zinc/91/71/67/1049917167.db2.gz KAHKIJHFUCDCKB-PZJWPPBQSA-N 1 0 338.426 4.297 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CC1(Cc2cccnc2)CCC(F)(F)CC1 ZINC001172490866 1049920263 /nfs/dbraw/zinc/92/02/63/1049920263.db2.gz BIWRAWQOSYTINT-MRXNPFEDSA-N 1 0 335.442 4.492 20 30 EIEDRO C[C@@H](CCCC#N)n1cc(CC[NH3+])c2cc(OC(F)(F)F)ccc21 ZINC001172489365 1049920962 /nfs/dbraw/zinc/92/09/62/1049920962.db2.gz QAJQLVOQUQMSCM-LBPRGKRZSA-N 1 0 339.361 4.296 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C[C@]1(CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001172492642 1049921596 /nfs/dbraw/zinc/92/15/96/1049921596.db2.gz NGQPQQXTBQNCBG-OXQOHEQNSA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001172497503 1049921821 /nfs/dbraw/zinc/92/18/21/1049921821.db2.gz CLUXSEFHCOXWFN-DZFGPLHGSA-N 1 0 326.484 4.181 20 30 EIEDRO Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1[C@H](C)CCCC#N ZINC001172491879 1049922090 /nfs/dbraw/zinc/92/20/90/1049922090.db2.gz HKHPQUSMZMXEDB-QZTJIDSGSA-N 1 0 327.472 4.179 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001172502736 1049922706 /nfs/dbraw/zinc/92/27/06/1049922706.db2.gz LQNRBFZYHHBLAT-RTBURBONSA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+]C1CCN(C(=O)NCC)CC1 ZINC001172502182 1049922737 /nfs/dbraw/zinc/92/27/37/1049922737.db2.gz OPWOWFWXTRAPKS-QGZVFWFLSA-N 1 0 325.541 4.299 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC001172502394 1049923096 /nfs/dbraw/zinc/92/30/96/1049923096.db2.gz JGJKCXDGKLWTFJ-SFHVURJKSA-N 1 0 331.566 4.320 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@@H]21 ZINC001172500836 1049923333 /nfs/dbraw/zinc/92/33/33/1049923333.db2.gz AXFLRJBYRWFVKS-CVEARBPZSA-N 1 0 333.476 4.058 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+]C1(CC(=O)OC)CCOCC1 ZINC001172504382 1049924641 /nfs/dbraw/zinc/92/46/41/1049924641.db2.gz XXPUWYQAVISEBI-QGZVFWFLSA-N 1 0 327.509 4.218 20 30 EIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001172505240 1049924661 /nfs/dbraw/zinc/92/46/61/1049924661.db2.gz KWLUYUAFVIBWBG-AKHDSKFASA-N 1 0 339.520 4.168 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCC(N(C)Cc2ccc(Cl)cc2)CC1 ZINC001172510296 1049925516 /nfs/dbraw/zinc/92/55/16/1049925516.db2.gz ZHAJWRGSLQICLW-MRXNPFEDSA-N 1 0 333.907 4.319 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001172509224 1049926012 /nfs/dbraw/zinc/92/60/12/1049926012.db2.gz UFLCBNADXVQVCJ-VQTJNVASSA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCC[C@@H](CCC)[N@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001172511459 1049927265 /nfs/dbraw/zinc/92/72/65/1049927265.db2.gz REIKKJGKBAPAJW-RTBURBONSA-N 1 0 335.536 4.491 20 30 EIEDRO C=CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2C)C1 ZINC001172582373 1049953059 /nfs/dbraw/zinc/95/30/59/1049953059.db2.gz ZNJOMSRXGUSBBF-SJLPKXTDSA-N 1 0 348.462 4.350 20 30 EIEDRO CCCC[C@@H]1C[C@H]([NH+]2CCC(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001172635816 1049953841 /nfs/dbraw/zinc/95/38/41/1049953841.db2.gz QJFKQFXOHVQEIN-QZTJIDSGSA-N 1 0 349.519 4.180 20 30 EIEDRO C#CC1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C2)CC1 ZINC001172645249 1049954789 /nfs/dbraw/zinc/95/47/89/1049954789.db2.gz LKKYULBPEYQMQS-RBUKOAKNSA-N 1 0 348.531 4.290 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(Sc3ccccc3)CC2)cc1 ZINC000069026073 1049956882 /nfs/dbraw/zinc/95/68/82/1049956882.db2.gz SKSNMUVZTIEZOP-MRXNPFEDSA-N 1 0 338.476 4.392 20 30 EIEDRO CC1(C)CC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC(C)(C)O1 ZINC001172660522 1049958161 /nfs/dbraw/zinc/95/81/61/1049958161.db2.gz UGQHLKGNKXOGTP-UHFFFAOYSA-N 1 0 326.484 4.474 20 30 EIEDRO N#Cc1ccc(OCC[N@H+](Cc2ccco2)Cc2ccccc2)cc1 ZINC000069287381 1050036918 /nfs/dbraw/zinc/03/69/18/1050036918.db2.gz ZELHSWFPBPXLMQ-UHFFFAOYSA-N 1 0 332.403 4.232 20 30 EIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248989471 1050087619 /nfs/dbraw/zinc/08/76/19/1050087619.db2.gz NBJVWDJRUFMXPE-SCRDCRAPSA-N 1 0 337.261 4.191 20 30 EIEDRO C=CC[C@@H]1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000617781069 1050104283 /nfs/dbraw/zinc/10/42/83/1050104283.db2.gz DGYRMOXYQFBAJY-LJQANCHMSA-N 1 0 340.511 4.103 20 30 EIEDRO COc1ccc([C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N2CCCC2)cc1 ZINC000181407907 1050116617 /nfs/dbraw/zinc/11/66/17/1050116617.db2.gz LYZPUJZXYIIEMZ-VGSWGCGISA-N 1 0 349.478 4.055 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccsc1 ZINC000181491091 1050149314 /nfs/dbraw/zinc/14/93/14/1050149314.db2.gz SGKYPPKZNHSJON-DNVCBOLYSA-N 1 0 327.497 4.353 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccsc1 ZINC000181491050 1050149390 /nfs/dbraw/zinc/14/93/90/1050149390.db2.gz SGKYPPKZNHSJON-HNAYVOBHSA-N 1 0 327.497 4.353 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC001177180630 1050164642 /nfs/dbraw/zinc/16/46/42/1050164642.db2.gz BIGJIPUEURHVRH-HLIPFELVSA-N 1 0 348.918 4.048 20 30 EIEDRO Cc1ccc(OCCCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181522172 1050171571 /nfs/dbraw/zinc/17/15/71/1050171571.db2.gz MKDRLQFDUMPSCI-SFHVURJKSA-N 1 0 338.451 4.407 20 30 EIEDRO Cc1ccc(OCCCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181522189 1050172481 /nfs/dbraw/zinc/17/24/81/1050172481.db2.gz MKDRLQFDUMPSCI-GOSISDBHSA-N 1 0 338.451 4.407 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1C#N ZINC000181531910 1050184970 /nfs/dbraw/zinc/18/49/70/1050184970.db2.gz FYBCBJOZMLKYIQ-KRWDZBQOSA-N 1 0 342.826 4.224 20 30 EIEDRO C[C@H](Cc1ccc(F)cc1Cl)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001172861419 1050199248 /nfs/dbraw/zinc/19/92/48/1050199248.db2.gz RJWLOLICMDHUNT-GFCCVEGCSA-N 1 0 341.817 4.364 20 30 EIEDRO Cc1cc(C#N)cc(C#N)c1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212690724 1050203422 /nfs/dbraw/zinc/20/34/22/1050203422.db2.gz UDEKKTBLUIWZKC-UHFFFAOYSA-N 1 0 330.435 4.291 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC001177434614 1050220160 /nfs/dbraw/zinc/22/01/60/1050220160.db2.gz XSLNCRIBFHCLGU-UHFFFAOYSA-N 1 0 348.368 4.406 20 30 EIEDRO C#CCOc1ccc(C[NH2+]CC(C)(C)c2ccc(Cl)cc2)cc1 ZINC001177433890 1050220527 /nfs/dbraw/zinc/22/05/27/1050220527.db2.gz NNUMDRRIYHJKBZ-UHFFFAOYSA-N 1 0 327.855 4.419 20 30 EIEDRO Cc1cc(Cl)nc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c1C#N ZINC001212689789 1050229724 /nfs/dbraw/zinc/22/97/24/1050229724.db2.gz JXJMRLGOTXEYKK-UHFFFAOYSA-N 1 0 340.858 4.468 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3cc(F)c(F)cc3C#N)cc2)CC1 ZINC001212691512 1050240737 /nfs/dbraw/zinc/24/07/37/1050240737.db2.gz VGKOVBOBRFRCOJ-UHFFFAOYSA-N 1 0 327.378 4.389 20 30 EIEDRO N#Cc1cccc(C2CC[NH+](C3CCC4(CCOCC4)CC3)CC2)c1 ZINC001173050022 1050273894 /nfs/dbraw/zinc/27/38/94/1050273894.db2.gz PDILPWNXCOXAMU-UHFFFAOYSA-N 1 0 338.495 4.477 20 30 EIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC001177657859 1050281506 /nfs/dbraw/zinc/28/15/06/1050281506.db2.gz QQYIATIQKXDVGB-NQIIRXRSSA-N 1 0 325.500 4.476 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000774999551 1050286374 /nfs/dbraw/zinc/28/63/74/1050286374.db2.gz RXQPIHCUPAHSBI-UHFFFAOYSA-N 1 0 341.252 4.408 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC001173073319 1050290475 /nfs/dbraw/zinc/29/04/75/1050290475.db2.gz MZZRBOGWYUSFJP-ZDUSSCGKSA-N 1 0 334.341 4.178 20 30 EIEDRO CC[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181676926 1050292260 /nfs/dbraw/zinc/29/22/60/1050292260.db2.gz KMNVZHHCAVPXND-JOCHJYFZSA-N 1 0 347.506 4.134 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC001173077451 1050292317 /nfs/dbraw/zinc/29/23/17/1050292317.db2.gz GBNVMEXFKSGWBV-LLVKDONJSA-N 1 0 340.370 4.239 20 30 EIEDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Nc1ccccc1 ZINC000181719352 1050310921 /nfs/dbraw/zinc/31/09/21/1050310921.db2.gz UTAWVVWLNZDESW-DYESRHJHSA-N 1 0 337.467 4.376 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1cccc(C#N)c1 ZINC000181842937 1050352464 /nfs/dbraw/zinc/35/24/64/1050352464.db2.gz UGFUJUDAYNNEHJ-OAHLLOKOSA-N 1 0 330.435 4.023 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c(C#N)c1)Oc1cccc(Cl)c1 ZINC001177976838 1050360349 /nfs/dbraw/zinc/36/03/49/1050360349.db2.gz IUXBXNKXQMCUCF-KRWDZBQOSA-N 1 0 344.842 4.167 20 30 EIEDRO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001173265826 1050390105 /nfs/dbraw/zinc/39/01/05/1050390105.db2.gz AVOSOJVLELHZNR-YYFZDKIDSA-N 1 0 337.467 4.272 20 30 EIEDRO CC(C)c1ccccc1OCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181949982 1050399893 /nfs/dbraw/zinc/39/98/93/1050399893.db2.gz PECCGMRNAIAEGN-KRWDZBQOSA-N 1 0 338.451 4.442 20 30 EIEDRO CCCCCCCC[C@H](CCC)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001173310163 1050404768 /nfs/dbraw/zinc/40/47/68/1050404768.db2.gz QWYLORRLEAIUPN-SFHVURJKSA-N 1 0 331.566 4.320 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001173312456 1050406948 /nfs/dbraw/zinc/40/69/48/1050406948.db2.gz HMCHQYLYNGBSJX-UHFFFAOYSA-N 1 0 348.796 4.357 20 30 EIEDRO Cc1ccc(SCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181999836 1050412583 /nfs/dbraw/zinc/41/25/83/1050412583.db2.gz IOFGMRIWKIVADB-MRXNPFEDSA-N 1 0 326.465 4.340 20 30 EIEDRO N#CCC1CCC([NH2+]CCCc2cncc(C(F)(F)F)c2)CC1 ZINC001173323906 1050417894 /nfs/dbraw/zinc/41/78/94/1050417894.db2.gz CWJKYJCCRFLBDU-UHFFFAOYSA-N 1 0 325.378 4.095 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC001173328549 1050420373 /nfs/dbraw/zinc/42/03/73/1050420373.db2.gz FEEDMKROWNBYOC-QWQCLYJRSA-N 1 0 333.273 4.498 20 30 EIEDRO COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2C1CCC(CC#N)CC1 ZINC001173328190 1050420654 /nfs/dbraw/zinc/42/06/54/1050420654.db2.gz RATCIEPQWXMTND-UQPPLGOBSA-N 1 0 325.456 4.185 20 30 EIEDRO N#CCC1CCC([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173330962 1050421988 /nfs/dbraw/zinc/42/19/88/1050421988.db2.gz XTEQSRABQUUWBM-UHFFFAOYSA-N 1 0 326.362 4.190 20 30 EIEDRO CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173331377 1050422906 /nfs/dbraw/zinc/42/29/06/1050422906.db2.gz OTTDBFCQDBDITJ-UHFFFAOYSA-N 1 0 342.483 4.303 20 30 EIEDRO Cc1ccc(CN2CCC([NH2+]C3CCC(CC#N)CC3)CC2)c(F)c1 ZINC001173333596 1050423372 /nfs/dbraw/zinc/42/33/72/1050423372.db2.gz KTJOXAHWWKJLGW-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO COC(=O)[C@H]1CC[N@H+](C2CCC(CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC001173336750 1050425287 /nfs/dbraw/zinc/42/52/87/1050425287.db2.gz KEUXMBTXKPJPPQ-XUUQEUKMSA-N 1 0 340.467 4.085 20 30 EIEDRO N#CCC1CCC([NH+]2CC(Oc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001173338635 1050428744 /nfs/dbraw/zinc/42/87/44/1050428744.db2.gz JJNNITWWMAICFY-UHFFFAOYSA-N 1 0 338.373 4.241 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173341518 1050429945 /nfs/dbraw/zinc/42/99/45/1050429945.db2.gz YLGQVDDIPWFMET-UHYCVJNDSA-N 1 0 349.519 4.086 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173314359 1050438583 /nfs/dbraw/zinc/43/85/83/1050438583.db2.gz OXOLJGPXMPAMPF-MQBCKMQZSA-N 1 0 344.282 4.130 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1 ZINC001173316965 1050439033 /nfs/dbraw/zinc/43/90/33/1050439033.db2.gz PZHQZPGPYHZGMA-GPJFCIFZSA-N 1 0 348.918 4.018 20 30 EIEDRO C=CCOC1CCC([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC001173314798 1050439597 /nfs/dbraw/zinc/43/95/97/1050439597.db2.gz WBVZXEKFOFVRNG-CBNMVNINSA-N 1 0 329.484 4.258 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2ccc(Br)s2)CC1 ZINC001173318255 1050441055 /nfs/dbraw/zinc/44/10/55/1050441055.db2.gz YCNIXMKELCIDMV-UHFFFAOYSA-N 1 0 344.318 4.157 20 30 EIEDRO C=CCOC1CCC([NH2+]CC2(Cc3ccccc3)CCOCC2)CC1 ZINC001173319123 1050441505 /nfs/dbraw/zinc/44/15/05/1050441505.db2.gz ZAOPWJPFPMCWHF-UHFFFAOYSA-N 1 0 343.511 4.129 20 30 EIEDRO CCCCCCC[N@H+](C)C1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC001173406040 1050449150 /nfs/dbraw/zinc/44/91/50/1050449150.db2.gz IZUHQTIEQIMAJD-UHFFFAOYSA-N 1 0 346.515 4.202 20 30 EIEDRO C=CCSc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618665853 1050459872 /nfs/dbraw/zinc/45/98/72/1050459872.db2.gz QGQSCWALOFAARI-INIZCTEOSA-N 1 0 344.524 4.102 20 30 EIEDRO C=C(C)C(=O)OCC[NH2+][C@@H](C)CCc1ccc(Cl)c(Cl)c1 ZINC001173539026 1050475478 /nfs/dbraw/zinc/47/54/78/1050475478.db2.gz KKESKPSWFDHGMV-LBPRGKRZSA-N 1 0 330.255 4.023 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000182110715 1050483443 /nfs/dbraw/zinc/48/34/43/1050483443.db2.gz CTGGQYAQDQFOHF-FASAQXTFSA-N 1 0 326.827 4.392 20 30 EIEDRO CC1(C#N)CCC([NH2+]C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001173591009 1050494932 /nfs/dbraw/zinc/49/49/32/1050494932.db2.gz GVOXWEBIFVORHQ-UHFFFAOYSA-N 1 0 332.875 4.408 20 30 EIEDRO CC1(C#N)CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC001173588402 1050495030 /nfs/dbraw/zinc/49/50/30/1050495030.db2.gz CPCKTOBNNVWEGB-UHFFFAOYSA-N 1 0 345.918 4.366 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173588928 1050495064 /nfs/dbraw/zinc/49/50/64/1050495064.db2.gz NULILAGVXOWJLF-DSSZZKGTSA-N 1 0 327.255 4.089 20 30 EIEDRO Cc1cc(F)ccc1CN1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173591395 1050495547 /nfs/dbraw/zinc/49/55/47/1050495547.db2.gz HUWBHTPZFLKKHE-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO C[N@H+](C1CCN(Cc2ccccc2)CC1)C1CCC(C)(C#N)CC1 ZINC001173593818 1050496225 /nfs/dbraw/zinc/49/62/25/1050496225.db2.gz OFSZUTMMWCFWFI-UHFFFAOYSA-N 1 0 325.500 4.055 20 30 EIEDRO CN(C[C@@H]1CCC[N@@H+](C2CCC(C)(C#N)CC2)C1)C(=O)OC(C)(C)C ZINC001173592146 1050497422 /nfs/dbraw/zinc/49/74/22/1050497422.db2.gz IADVNIIYJFTWPP-VXESANQCSA-N 1 0 349.519 4.038 20 30 EIEDRO CC1(C#N)CCC([NH+]2CC(Oc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001173596418 1050497767 /nfs/dbraw/zinc/49/77/67/1050497767.db2.gz WERQLNOKAQAQIZ-UHFFFAOYSA-N 1 0 338.373 4.241 20 30 EIEDRO COc1cc(C)ccc1OC1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173597954 1050499324 /nfs/dbraw/zinc/49/93/24/1050499324.db2.gz KCGMFWIPRLCCMP-UHFFFAOYSA-N 1 0 342.483 4.319 20 30 EIEDRO CCOC(=O)C1([N@H+](Cc2ccccc2)C2CCC(C)(C#N)CC2)CC1 ZINC001173597342 1050499583 /nfs/dbraw/zinc/49/95/83/1050499583.db2.gz PRYNIJOJEHTYMH-UHFFFAOYSA-N 1 0 340.467 4.057 20 30 EIEDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)C1CCC(C)(C#N)CC1 ZINC001173598679 1050499743 /nfs/dbraw/zinc/49/97/43/1050499743.db2.gz UCNBIDQTCPIAAQ-VQSBYGRUSA-N 1 0 330.472 4.005 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741339 1050500217 /nfs/dbraw/zinc/50/02/17/1050500217.db2.gz FBVGVYOUNATJNH-OAQYLSRUSA-N 1 0 331.419 4.018 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(Br)ccc1F ZINC000618742699 1050500587 /nfs/dbraw/zinc/50/05/87/1050500587.db2.gz PNZSJSQBYOZIRK-QGZVFWFLSA-N 1 0 345.215 4.237 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001173601434 1050501614 /nfs/dbraw/zinc/50/16/14/1050501614.db2.gz SZPWPWPLRKUAPX-LZBANZJXSA-N 1 0 337.511 4.199 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618741730 1050501651 /nfs/dbraw/zinc/50/16/51/1050501651.db2.gz MADQVFJXHXKSKN-GOSISDBHSA-N 1 0 341.252 4.406 20 30 EIEDRO CCOc1ccc(NC2CC[NH+](C3CCC(C)(C#N)CC3)CC2)cc1 ZINC001173601652 1050502884 /nfs/dbraw/zinc/50/28/84/1050502884.db2.gz XVQOGBYMGLIGKD-UHFFFAOYSA-N 1 0 341.499 4.434 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173600609 1050503009 /nfs/dbraw/zinc/50/30/09/1050503009.db2.gz GNDQFIWEYRJRPW-WHDYRULRSA-N 1 0 346.515 4.434 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H](C)Cc1ccccc1OC ZINC001178600940 1050514164 /nfs/dbraw/zinc/51/41/64/1050514164.db2.gz BAGBVNGOMSHXBQ-HNNXBMFYSA-N 1 0 343.854 4.081 20 30 EIEDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618802526 1050520244 /nfs/dbraw/zinc/52/02/44/1050520244.db2.gz FHTUOOWKJOFTHV-GXOAENINSA-N 1 0 340.467 4.036 20 30 EIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805448 1050532849 /nfs/dbraw/zinc/53/28/49/1050532849.db2.gz OGZMQAOTVJDYGA-NYHFZMIOSA-N 1 0 342.446 4.391 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(-n2ccnc2)cc1 ZINC000618804751 1050533551 /nfs/dbraw/zinc/53/35/51/1050533551.db2.gz LTCFWMPFQSZDEQ-VFNWGFHPSA-N 1 0 328.419 4.082 20 30 EIEDRO O=C1C=C2C[N@H+](C3CCC4(CCc5ccccc54)CC3)CCC2S1 ZINC001173688495 1050541452 /nfs/dbraw/zinc/54/14/52/1050541452.db2.gz VKTAHBKUAPRQQS-MOMVYJMYSA-N 1 0 339.504 4.087 20 30 EIEDRO COc1cc(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)ccc1Cl ZINC001178782623 1050551713 /nfs/dbraw/zinc/55/17/13/1050551713.db2.gz ILYQSRCLXHJOOU-UHFFFAOYSA-N 1 0 342.870 4.482 20 30 EIEDRO C=CCCC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC001179142752 1050632595 /nfs/dbraw/zinc/63/25/95/1050632595.db2.gz MDVGCOZMSVWJRW-UHFFFAOYSA-N 1 0 346.490 4.279 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1cc(Br)ccc1C#N ZINC001173930116 1050650814 /nfs/dbraw/zinc/65/08/14/1050650814.db2.gz QKQYZSSKRLPQAV-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1cc(C#N)ccc1Br ZINC001173931539 1050652309 /nfs/dbraw/zinc/65/23/09/1050652309.db2.gz KZLNOPIYHGHUQI-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(OC(F)(F)F)cc1C#N ZINC001173932588 1050652543 /nfs/dbraw/zinc/65/25/43/1050652543.db2.gz XKNQGTRRYCEFBB-UHFFFAOYSA-N 1 0 335.329 4.262 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1cc(Br)cc(F)c1C#N ZINC001173931252 1050652634 /nfs/dbraw/zinc/65/26/34/1050652634.db2.gz YBEWHAJOIPADIB-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cc1 ZINC001179253364 1050660307 /nfs/dbraw/zinc/66/03/07/1050660307.db2.gz POPMDTDIEZJAFX-WOJBJXKFSA-N 1 0 327.855 4.169 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC001179516233 1050705324 /nfs/dbraw/zinc/70/53/24/1050705324.db2.gz VGMXCJBWUUMVBY-AWEZNQCLSA-N 1 0 349.352 4.448 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)C1 ZINC001179525590 1050706562 /nfs/dbraw/zinc/70/65/62/1050706562.db2.gz RDMPBULIUOPAAH-CTNGQTDRSA-N 1 0 335.495 4.423 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)ccc1OC ZINC001179562555 1050716826 /nfs/dbraw/zinc/71/68/26/1050716826.db2.gz FLFHNSJXRYHVPL-UHFFFAOYSA-N 1 0 336.435 4.120 20 30 EIEDRO COc1ccc(C[NH2+]CC2(c3ccccc3Cl)CC2)cc1C#N ZINC000763532054 1050728655 /nfs/dbraw/zinc/72/86/55/1050728655.db2.gz SMWGAYIHKBQROL-UHFFFAOYSA-N 1 0 326.827 4.042 20 30 EIEDRO COC(C)(C)[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC001179645245 1050735544 /nfs/dbraw/zinc/73/55/44/1050735544.db2.gz KOHSZPKLKHSWOD-INIZCTEOSA-N 1 0 338.451 4.040 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ncccc2C)ccc1OC ZINC001179784216 1050778813 /nfs/dbraw/zinc/77/88/13/1050778813.db2.gz CHZSOAFCDYZSFS-INIZCTEOSA-N 1 0 326.440 4.204 20 30 EIEDRO CC[NH+](CC)CC[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC001179806025 1050783497 /nfs/dbraw/zinc/78/34/97/1050783497.db2.gz YUUTVMFCYOMXAN-NRFANRHFSA-N 1 0 339.458 4.260 20 30 EIEDRO C#Cc1ccc(C[N@H+](CCc2ccc(C)cc2)C[C@H]2CCCO2)cc1 ZINC001179878793 1050815901 /nfs/dbraw/zinc/81/59/01/1050815901.db2.gz SIOYXACKQFLNCF-HSZRJFAPSA-N 1 0 333.475 4.200 20 30 EIEDRO COc1cc(C[N@@H+](Cc2ccccc2F)CC(C)C)ccc1C#N ZINC001179992858 1050844919 /nfs/dbraw/zinc/84/49/19/1050844919.db2.gz BLYBVFMOKJSOGY-UHFFFAOYSA-N 1 0 326.415 4.364 20 30 EIEDRO COc1ccc(C([NH2+][C@@H]2CC[C@@H](C#N)C2)c2ccc(OC)cc2)cc1 ZINC000619672383 1050850911 /nfs/dbraw/zinc/85/09/11/1050850911.db2.gz NPVNQARBWAUHIJ-CRAIPNDOSA-N 1 0 336.435 4.075 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc4ncsc4c3)CC2)cc1 ZINC000182880569 1050858875 /nfs/dbraw/zinc/85/88/75/1050858875.db2.gz RJZKMASLZOZDHX-UHFFFAOYSA-N 1 0 348.475 4.244 20 30 EIEDRO N#Cc1cc(Br)c(Cl)cc1Nc1ccc2[nH+]ccn2c1 ZINC001174280964 1050863218 /nfs/dbraw/zinc/86/32/18/1050863218.db2.gz ZTVCKWCUXHQRIJ-UHFFFAOYSA-N 1 0 347.603 4.365 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619754747 1050883395 /nfs/dbraw/zinc/88/33/95/1050883395.db2.gz JQKBVJRVJZNFOD-IBGZPJMESA-N 1 0 326.827 4.387 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(NCc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000619755718 1050883761 /nfs/dbraw/zinc/88/37/61/1050883761.db2.gz QDPIAKGMMKKYCX-KXBFYZLASA-N 1 0 345.918 4.344 20 30 EIEDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755924 1050884629 /nfs/dbraw/zinc/88/46/29/1050884629.db2.gz ZEPXREGXSZUODI-LBPRGKRZSA-N 1 0 329.787 4.279 20 30 EIEDRO COC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000619755082 1050885188 /nfs/dbraw/zinc/88/51/88/1050885188.db2.gz SKNHSWURTABEKY-QGZVFWFLSA-N 1 0 335.234 4.342 20 30 EIEDRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619754900 1050885736 /nfs/dbraw/zinc/88/57/36/1050885736.db2.gz OGBYNGPLTKPFER-LLVKDONJSA-N 1 0 349.887 4.016 20 30 EIEDRO COc1ccc(CC[N@H+](Cc2cccc(C#N)n2)CC(C)(C)C)cc1 ZINC001180120314 1050891650 /nfs/dbraw/zinc/89/16/50/1050891650.db2.gz HBBCHIJEFXDGRR-UHFFFAOYSA-N 1 0 337.467 4.053 20 30 EIEDRO Cc1ccc(C2=CC[N@H+](Cc3cc(C#N)ccc3N(C)C)CC2)cc1 ZINC001180177973 1050894873 /nfs/dbraw/zinc/89/48/73/1050894873.db2.gz KEPCSPILMMPIJJ-UHFFFAOYSA-N 1 0 331.463 4.222 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)ccc1SC ZINC000619749076 1050896197 /nfs/dbraw/zinc/89/61/97/1050896197.db2.gz ZZESUVMERBARJW-UHFFFAOYSA-N 1 0 332.856 4.232 20 30 EIEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@](C)(c3ccccc3)C2)c1 ZINC001180161478 1050906383 /nfs/dbraw/zinc/90/63/83/1050906383.db2.gz FCLLYXHQVBCSDD-GGAORHGYSA-N 1 0 346.474 4.049 20 30 EIEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000619822008 1050921040 /nfs/dbraw/zinc/92/10/40/1050921040.db2.gz CFJAJVDWZGULII-IPHXSNPTSA-N 1 0 348.446 4.391 20 30 EIEDRO C[NH+](C)CCCOc1ccc(Nc2ccc(Cl)c(C#N)c2)cc1 ZINC001174403085 1050923079 /nfs/dbraw/zinc/92/30/79/1050923079.db2.gz BNAVBWYQNVWECC-UHFFFAOYSA-N 1 0 329.831 4.286 20 30 EIEDRO CC[N@H+](CC1(c2ccc3c(c2)OCO3)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC001180199398 1050926297 /nfs/dbraw/zinc/92/62/97/1050926297.db2.gz RYUJIYZMZPLJEJ-INIZCTEOSA-N 1 0 348.446 4.402 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC001180198743 1050928877 /nfs/dbraw/zinc/92/88/77/1050928877.db2.gz JELWGAVTGHGABW-UHFFFAOYSA-N 1 0 329.410 4.416 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001189278207 1050943273 /nfs/dbraw/zinc/94/32/73/1050943273.db2.gz MZGUIBXZLBSKNS-RBUKOAKNSA-N 1 0 343.515 4.127 20 30 EIEDRO CC1(C)CCC[C@H](C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC001180363816 1050984862 /nfs/dbraw/zinc/98/48/62/1050984862.db2.gz IQHDPHIIIUVTNC-NRFANRHFSA-N 1 0 339.527 4.282 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)ccc1OC ZINC000775306829 1051052711 /nfs/dbraw/zinc/05/27/11/1051052711.db2.gz YIHCPQRVUWHNKB-UHOSZYNNSA-N 1 0 342.483 4.458 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)ccc1OC ZINC000775306828 1051053666 /nfs/dbraw/zinc/05/36/66/1051053666.db2.gz YIHCPQRVUWHNKB-QXAKKESOSA-N 1 0 342.483 4.458 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC001174593584 1051076037 /nfs/dbraw/zinc/07/60/37/1051076037.db2.gz VDVNHGVCFRBYHM-UHFFFAOYSA-N 1 0 342.361 4.002 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000076153782 1051100152 /nfs/dbraw/zinc/10/01/52/1051100152.db2.gz VBRNIXVJRZXWTK-FCHUYYIVSA-N 1 0 342.446 4.144 20 30 EIEDRO CCCCCCC[NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775363591 1051129482 /nfs/dbraw/zinc/12/94/82/1051129482.db2.gz RWGWWGCEVBQESX-MRXNPFEDSA-N 1 0 336.495 4.408 20 30 EIEDRO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC001174749066 1051177981 /nfs/dbraw/zinc/17/79/81/1051177981.db2.gz DOSIKJMETCIMKB-HSZRJFAPSA-N 1 0 347.506 4.095 20 30 EIEDRO C=CCCc1ccccc1NC1CCC(C)([NH+]2CCOCC2)CC1 ZINC001181162478 1051180297 /nfs/dbraw/zinc/18/02/97/1051180297.db2.gz ISNCFJYLFRZMRZ-UHFFFAOYSA-N 1 0 328.500 4.251 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000775386854 1051180597 /nfs/dbraw/zinc/18/05/97/1051180597.db2.gz GXPGSGFNVVQOGR-DHIUTWEWSA-N 1 0 342.442 4.412 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001181284751 1051196762 /nfs/dbraw/zinc/19/67/62/1051196762.db2.gz DOCPDQMUSIHCIU-BPQIPLTHSA-N 1 0 336.520 4.404 20 30 EIEDRO C#CC[C@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1ccccc1 ZINC000775400797 1051225182 /nfs/dbraw/zinc/22/51/82/1051225182.db2.gz MWIXUWZGXDUDRZ-INIZCTEOSA-N 1 0 337.448 4.085 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccccc1 ZINC000775400420 1051228305 /nfs/dbraw/zinc/22/83/05/1051228305.db2.gz ZZCHLAPQMTZBDI-QGZVFWFLSA-N 1 0 332.216 4.442 20 30 EIEDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775401522 1051237885 /nfs/dbraw/zinc/23/78/85/1051237885.db2.gz QWGIZBJTUQODDQ-PUCZYUMASA-N 1 0 338.426 4.177 20 30 EIEDRO N#CC1(C[C@@H](O)C[N@H+]2CC=C(c3cccc4ccccc43)CC2)CCC1 ZINC001190627769 1051237899 /nfs/dbraw/zinc/23/78/99/1051237899.db2.gz NDCIAMZCHNVPIK-HXUWFJFHSA-N 1 0 346.474 4.374 20 30 EIEDRO CCCC[N@@H+](Cc1ccccc1F)C[C@H](O)c1cccc(C#N)c1 ZINC001190761496 1051262629 /nfs/dbraw/zinc/26/26/29/1051262629.db2.gz QXBOKEMRESSGRX-FQEVSTJZSA-N 1 0 326.415 4.033 20 30 EIEDRO CCCC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001190761497 1051263214 /nfs/dbraw/zinc/26/32/14/1051263214.db2.gz QXBOKEMRESSGRX-HXUWFJFHSA-N 1 0 326.415 4.033 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000775408667 1051268386 /nfs/dbraw/zinc/26/83/86/1051268386.db2.gz BNLNPAXSIPUQPC-MSOLQXFVSA-N 1 0 344.817 4.051 20 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/nfs/dbraw/zinc/37/62/75/1051376275.db2.gz HWNIVEAEPVBQNG-ZDUSSCGKSA-N 1 0 349.475 4.441 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)cc1 ZINC000775442371 1051389505 /nfs/dbraw/zinc/38/95/05/1051389505.db2.gz ZIYIGRNMQRPKSV-NRFANRHFSA-N 1 0 339.866 4.449 20 30 EIEDRO Cc1cccc([C@H]2CCCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)c1C ZINC001191214565 1051389680 /nfs/dbraw/zinc/38/96/80/1051389680.db2.gz PVPQSTSYDXOYHU-YADHBBJMSA-N 1 0 334.463 4.436 20 30 EIEDRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)cc1 ZINC001191180996 1051391597 /nfs/dbraw/zinc/39/15/97/1051391597.db2.gz CKYVNBQTBJIJFZ-WTNAPCKOSA-N 1 0 334.463 4.373 20 30 EIEDRO CCCC[N@H+](CC)[C@@H](C(=O)N[C@H](C#N)c1ccccc1)c1ccccc1 ZINC001182230825 1051429690 /nfs/dbraw/zinc/42/96/90/1051429690.db2.gz FFIRQFUUOBAROG-NHCUHLMSSA-N 1 0 349.478 4.231 20 30 EIEDRO CCCC[N@H+](CC)[C@H](C(=O)N[C@H]1CC[C@H](C#N)CC1)c1ccccc1 ZINC001182237396 1051432807 /nfs/dbraw/zinc/43/28/07/1051432807.db2.gz VURMZVFCWWXYGU-IHPCNDPISA-N 1 0 341.499 4.048 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000155654833 1051442348 /nfs/dbraw/zinc/44/23/48/1051442348.db2.gz LHMDLDGWQXSWQI-QZTJIDSGSA-N 1 0 343.515 4.338 20 30 EIEDRO CN(c1ccccc1)C1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC001191426297 1051455486 /nfs/dbraw/zinc/45/54/86/1051455486.db2.gz DHJXENNOYGFPQK-UHFFFAOYSA-N 1 0 325.500 4.451 20 30 EIEDRO N#CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000775462106 1051464701 /nfs/dbraw/zinc/46/47/01/1051464701.db2.gz KCYGAZAIBAQHEF-UHFFFAOYSA-N 1 0 328.362 4.036 20 30 EIEDRO N#C[C@H](c1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001191520522 1051471554 /nfs/dbraw/zinc/47/15/54/1051471554.db2.gz HTOOGRNCFLTXDB-RJGXRXQPSA-N 1 0 345.490 4.238 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1)c1ccc(C#N)cc1 ZINC000774199704 1051497006 /nfs/dbraw/zinc/49/70/06/1051497006.db2.gz AWECLSZMUKVZFX-NHCUHLMSSA-N 1 0 338.451 4.120 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC001182325967 1051499572 /nfs/dbraw/zinc/49/95/72/1051499572.db2.gz DLMFLJIWVAMZIM-HSZRJFAPSA-N 1 0 334.507 4.428 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000774180754 1051505783 /nfs/dbraw/zinc/50/57/83/1051505783.db2.gz PLIUZJAWCRMEQN-VXKWHMMOSA-N 1 0 330.431 4.486 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2cc(C)oc2C)cc(OC)c1OC ZINC000774239025 1051512328 /nfs/dbraw/zinc/51/23/28/1051512328.db2.gz GOWOXNZQIYVEGX-AWEZNQCLSA-N 1 0 329.440 4.493 20 30 EIEDRO COc1ccc([C@H](NCc2ccc(C#N)c(F)c2)c2ccco2)cc1 ZINC001182398346 1051529957 /nfs/dbraw/zinc/52/99/57/1051529957.db2.gz RBLJPCBMZYGBMM-FQEVSTJZSA-N 1 0 336.366 4.178 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000774264765 1051534599 /nfs/dbraw/zinc/53/45/99/1051534599.db2.gz BSUOXWNKEBQTAB-QZTJIDSGSA-N 1 0 332.806 4.125 20 30 EIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001191741256 1051536348 /nfs/dbraw/zinc/53/63/48/1051536348.db2.gz IAPDLQWKJJWUKK-WOJBJXKFSA-N 1 0 342.389 4.097 20 30 EIEDRO CC[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccc(C#N)cc1 ZINC000774300345 1051544076 /nfs/dbraw/zinc/54/40/76/1051544076.db2.gz DTHYCQFGTGKBBB-OALUTQOASA-N 1 0 328.456 4.065 20 30 EIEDRO N#Cc1ncc(Cl)cc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175362088 1051551007 /nfs/dbraw/zinc/55/10/07/1051551007.db2.gz DLDBXCZIVXSWLF-UHFFFAOYSA-N 1 0 326.831 4.336 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000271799592 1051552647 /nfs/dbraw/zinc/55/26/47/1051552647.db2.gz JWKCTVIODPEJBS-CYBMUJFWSA-N 1 0 334.341 4.459 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(OCC#N)cc1 ZINC000271881008 1051555220 /nfs/dbraw/zinc/55/52/20/1051555220.db2.gz PIQAQGZSFUSWFS-GRTSSRMGSA-N 1 0 326.362 4.361 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)C1 ZINC000774382156 1051569051 /nfs/dbraw/zinc/56/90/51/1051569051.db2.gz SDULGOHWICFWEA-SUNKGSAMSA-N 1 0 325.239 4.489 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000774458727 1051599681 /nfs/dbraw/zinc/59/96/81/1051599681.db2.gz KHBNZAAGDMHXKN-GOSISDBHSA-N 1 0 339.370 4.031 20 30 EIEDRO N#Cc1c(F)ccc(F)c1N=C1CC[NH+](Cc2ccccc2)CC1 ZINC001175506720 1051639169 /nfs/dbraw/zinc/63/91/69/1051639169.db2.gz FKMJOGSAHPNNJH-UHFFFAOYSA-N 1 0 325.362 4.038 20 30 EIEDRO C=CC[C@H](C)[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 ZINC001175651897 1051693004 /nfs/dbraw/zinc/69/30/04/1051693004.db2.gz PVWQVSBSQGETEA-FUHWJXTLSA-N 1 0 348.531 4.453 20 30 EIEDRO CC1(C)CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCC2)[C@H](c2ccccc2)C1 ZINC001175610896 1051700143 /nfs/dbraw/zinc/70/01/43/1051700143.db2.gz IRTCVHGDOFFAKO-UFYCRDLUSA-N 1 0 340.511 4.383 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)cc1 ZINC001192435220 1051715412 /nfs/dbraw/zinc/71/54/12/1051715412.db2.gz OXODMSKGNZFMQO-DHIUTWEWSA-N 1 0 348.490 4.469 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](CO)c1ccccc1 ZINC001175661480 1051718120 /nfs/dbraw/zinc/71/81/20/1051718120.db2.gz OAXVMZYBYVZWGF-SFHVURJKSA-N 1 0 348.368 4.133 20 30 EIEDRO N#CC1(CCCC[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CCC1 ZINC001192585429 1051771403 /nfs/dbraw/zinc/77/14/03/1051771403.db2.gz VAHKMVWENZEDFD-FQEVSTJZSA-N 1 0 340.467 4.363 20 30 EIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccccc1-c1ccc(F)c(F)c1 ZINC001183076065 1051774636 /nfs/dbraw/zinc/77/46/36/1051774636.db2.gz PKNFQSGMTSPZQE-UHFFFAOYSA-N 1 0 342.389 4.222 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+]C2(c3cccc(Cl)c3)CCCC2)cc1 ZINC000775537826 1051777504 /nfs/dbraw/zinc/77/75/04/1051777504.db2.gz FQOBDTZDFCCEHN-LJQANCHMSA-N 1 0 340.854 4.304 20 30 EIEDRO CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000158694321 1051779151 /nfs/dbraw/zinc/77/91/51/1051779151.db2.gz UGAQSYRFWUDWCI-UHFFFAOYSA-N 1 0 338.451 4.400 20 30 EIEDRO C=CCC[C@@H]([NH2+]C/C=C\C(=O)OCC)c1ccc(C(F)(F)F)cc1 ZINC001192635736 1051785597 /nfs/dbraw/zinc/78/55/97/1051785597.db2.gz QLZGBVSMWKNISR-QKIRZYONSA-N 1 0 341.373 4.422 20 30 EIEDRO C=CCC[C@H](O)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001192635531 1051786167 /nfs/dbraw/zinc/78/61/67/1051786167.db2.gz OIYWOEOIIIOMFV-KRWDZBQOSA-N 1 0 327.390 4.212 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158961190 1051801221 /nfs/dbraw/zinc/80/12/21/1051801221.db2.gz KWGHNVCCHJVTNM-QHCPKHFHSA-N 1 0 346.474 4.162 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC001183247369 1051816026 /nfs/dbraw/zinc/81/60/26/1051816026.db2.gz BXKKQGDCXQAUMH-WXJALIKYSA-N 1 0 348.531 4.497 20 30 EIEDRO N#CCC[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775553867 1051833338 /nfs/dbraw/zinc/83/33/38/1051833338.db2.gz RSZPFXNUBDLZFB-MSOLQXFVSA-N 1 0 348.368 4.373 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001192954128 1051836208 /nfs/dbraw/zinc/83/62/08/1051836208.db2.gz ZTPCLEKZPYCRCQ-OKZBNKHCSA-N 1 0 325.541 4.153 20 30 EIEDRO COc1ccccc1[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC001183481681 1051850146 /nfs/dbraw/zinc/85/01/46/1051850146.db2.gz HJEULEGHVNVCHE-INIZCTEOSA-N 1 0 338.426 4.476 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973112 1051854522 /nfs/dbraw/zinc/85/45/22/1051854522.db2.gz JYUIEOWGLMJNQK-NMNUPHIUSA-N 1 0 345.490 4.073 20 30 EIEDRO COc1ccc(C#Cc2ccccc2Nc2ccc(C[NH3+])cc2)cc1 ZINC001175973287 1051854706 /nfs/dbraw/zinc/85/47/06/1051854706.db2.gz YEIMDIVSZUTTMQ-UHFFFAOYSA-N 1 0 328.415 4.297 20 30 EIEDRO C#Cc1cccc(Nc2ccc(OCC3CC[NH+](C)CC3)c(F)c2)c1 ZINC001175977950 1051856373 /nfs/dbraw/zinc/85/63/73/1051856373.db2.gz GMYDAIBCAFWFTH-UHFFFAOYSA-N 1 0 338.426 4.271 20 30 EIEDRO C#CC1([NH2+]Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)CCCC1 ZINC001183500910 1051856583 /nfs/dbraw/zinc/85/65/83/1051856583.db2.gz UEWIYOUNRRMGKQ-UHFFFAOYSA-N 1 0 337.419 4.159 20 30 EIEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183511308 1051860917 /nfs/dbraw/zinc/86/09/17/1051860917.db2.gz LMMQHBMQDQYPKW-DJIMGWMZSA-N 1 0 327.390 4.258 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1cc(C#N)ccn1 ZINC001193082904 1051865143 /nfs/dbraw/zinc/86/51/43/1051865143.db2.gz TUZMMILQBDRVHL-ZDUSSCGKSA-N 1 0 334.448 4.236 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000775564289 1051866553 /nfs/dbraw/zinc/86/65/53/1051866553.db2.gz UKCDLFPVRAYBAR-JOCHJYFZSA-N 1 0 348.490 4.433 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000775578354 1051873204 /nfs/dbraw/zinc/87/32/04/1051873204.db2.gz VYTIWHNDGQWEDZ-ORAYPTAESA-N 1 0 346.833 4.467 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001183642704 1051875022 /nfs/dbraw/zinc/87/50/22/1051875022.db2.gz KLGADJBMDYQMKT-FSPWUOQZSA-N 1 0 332.285 4.088 20 30 EIEDRO CSc1ccc(C[NH2+][C@H](C)[C@H]2COc3ccccc3C2)cc1C#N ZINC001183798300 1051899348 /nfs/dbraw/zinc/89/93/48/1051899348.db2.gz BYUYBNIRIXSNDM-RDTXWAMCSA-N 1 0 338.476 4.010 20 30 EIEDRO C[C@@H]1CCC[C@H](CC[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001193324979 1051901226 /nfs/dbraw/zinc/90/12/26/1051901226.db2.gz XEXWBDCZNKLYKQ-OPYAIIAOSA-N 1 0 343.490 4.224 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC3(CCCCC3)CC2)c1 ZINC001193430581 1051925033 /nfs/dbraw/zinc/92/50/33/1051925033.db2.gz NBDVTQODMARJAS-UHFFFAOYSA-N 1 0 339.483 4.323 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+]C(C)(C)CC2CCCCCC2)c(C#N)c1C ZINC001193474532 1051930833 /nfs/dbraw/zinc/93/08/33/1051930833.db2.gz YFYSXKVZEBQRAZ-UHFFFAOYSA-N 1 0 345.487 4.435 20 30 EIEDRO CC(C)[C@@H](C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044985 1051943560 /nfs/dbraw/zinc/94/35/60/1051943560.db2.gz GTAJJGDUYHNBIX-YADHBBJMSA-N 1 0 334.463 4.371 20 30 EIEDRO CC[N@H+](CC1CCC1)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC001193762862 1051993678 /nfs/dbraw/zinc/99/36/78/1051993678.db2.gz SSVZOAFOIVSOEC-GOSISDBHSA-N 1 0 341.499 4.061 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(-n2cncn2)c(C)c1)c1ccccc1 ZINC000158831297 1052000379 /nfs/dbraw/zinc/00/03/79/1052000379.db2.gz AAWWQYFGLQLMEL-FQEVSTJZSA-N 1 0 332.451 4.373 20 30 EIEDRO CCCCCCCOC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001194012145 1052048432 /nfs/dbraw/zinc/04/84/32/1052048432.db2.gz BXZPKFXAHFLLGF-LJQANCHMSA-N 1 0 332.488 4.205 20 30 EIEDRO C#CCC1([NH2+]Cc2coc(-c3c(F)cccc3F)n2)CCCCC1 ZINC001176434116 1052055060 /nfs/dbraw/zinc/05/50/60/1052055060.db2.gz ZWXWOXPCWVJFRD-UHFFFAOYSA-N 1 0 330.378 4.436 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCC2(CCOCC2)CO1 ZINC001194051278 1052061654 /nfs/dbraw/zinc/06/16/54/1052061654.db2.gz ASWHLHBBHGMDIT-HXUWFJFHSA-N 1 0 329.484 4.041 20 30 EIEDRO C=CCOC(=O)N(C(CC)CC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001194310437 1052125799 /nfs/dbraw/zinc/12/57/99/1052125799.db2.gz YILJBHDMAHDBGV-UHFFFAOYSA-N 1 0 344.499 4.464 20 30 EIEDRO CC(C)Oc1ccnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC001176579396 1052138817 /nfs/dbraw/zinc/13/88/17/1052138817.db2.gz UHCVUDZIRQCKEE-UHFFFAOYSA-N 1 0 335.451 4.120 20 30 EIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCCCCCCC1 ZINC001194400522 1052140171 /nfs/dbraw/zinc/14/01/71/1052140171.db2.gz JEENWHOJMLPJAE-QGZVFWFLSA-N 1 0 345.462 4.117 20 30 EIEDRO C[NH+]1CCC(COc2ccc(Nc3ccc(F)c(C#N)c3)cc2)CC1 ZINC001176617519 1052142690 /nfs/dbraw/zinc/14/26/90/1052142690.db2.gz AKFNMGYECFRPDF-UHFFFAOYSA-N 1 0 339.414 4.162 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](C)N2CCCC[C@H]2C)ccc1OC ZINC000622266598 1052169337 /nfs/dbraw/zinc/16/93/37/1052169337.db2.gz MPFJIAKBJCZLSU-QZTJIDSGSA-N 1 0 346.515 4.003 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC001176662894 1052172704 /nfs/dbraw/zinc/17/27/04/1052172704.db2.gz ACAQARAOINYBSG-IBGZPJMESA-N 1 0 326.465 4.226 20 30 EIEDRO CCCCCCCNC(=S)NC1CCC([NH+](CC)CC)CC1 ZINC001249649974 1052189626 /nfs/dbraw/zinc/18/96/26/1052189626.db2.gz GDPSVFIISPGAOA-UHFFFAOYSA-N 1 0 327.582 4.074 20 30 EIEDRO C=CCCC[NH+]1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001177002707 1052216000 /nfs/dbraw/zinc/21/60/00/1052216000.db2.gz NBOQTQRIZBUTQI-QGZVFWFLSA-N 1 0 336.520 4.360 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000171581866 1052437343 /nfs/dbraw/zinc/43/73/43/1052437343.db2.gz XQPPYQZMPFQCJA-UHFFFAOYSA-N 1 0 349.478 4.100 20 30 EIEDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072584186 1052459539 /nfs/dbraw/zinc/45/95/39/1052459539.db2.gz LLCJUKJAFOQUIU-HNNXBMFYSA-N 1 0 345.512 4.141 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2ncc(CC)s2)ccc1OC ZINC000174624710 1052571783 /nfs/dbraw/zinc/57/17/83/1052571783.db2.gz AGOMKORYVRFYFH-UHFFFAOYSA-N 1 0 346.496 4.001 20 30 EIEDRO C=CCc1cc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cc(OC)c1O ZINC000175990343 1052603436 /nfs/dbraw/zinc/60/34/36/1052603436.db2.gz WUAJERBXCOAINE-UHFFFAOYSA-N 1 0 347.405 4.432 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)cc1 ZINC000623521188 1052670312 /nfs/dbraw/zinc/67/03/12/1052670312.db2.gz NBKHNZMVESYSCO-UHFFFAOYSA-N 1 0 339.435 4.091 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCC2(F)F)cc1OC ZINC000623539272 1052675689 /nfs/dbraw/zinc/67/56/89/1052675689.db2.gz IBOHWOXPZCKWIR-CYBMUJFWSA-N 1 0 345.817 4.438 20 30 EIEDRO N#C[C@@H]1CCC[C@@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000185734579 1052688898 /nfs/dbraw/zinc/68/88/98/1052688898.db2.gz MTUMQTFJZITIBP-IEBWSBKVSA-N 1 0 327.472 4.046 20 30 EIEDRO CC(C)CCN(CCC#N)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000349434937 1052719408 /nfs/dbraw/zinc/71/94/08/1052719408.db2.gz VHWVCNXMRVSCMW-UHFFFAOYSA-N 1 0 341.499 4.074 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623995095 1052849328 /nfs/dbraw/zinc/84/93/28/1052849328.db2.gz NJKZEWVVCGERAK-YVLXSGLVSA-N 1 0 348.796 4.008 20 30 EIEDRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CCCC#N)cc1OC ZINC000181154622 1052877385 /nfs/dbraw/zinc/87/73/85/1052877385.db2.gz QWZZOGKXFDBELB-LJQANCHMSA-N 1 0 338.451 4.189 20 30 EIEDRO COc1ccc2cc(C[NH2+]Cc3ccc(OCC#N)cc3)ccc2c1 ZINC000073380851 1052934888 /nfs/dbraw/zinc/93/48/88/1052934888.db2.gz FWAOZCSNFAMDQT-UHFFFAOYSA-N 1 0 332.403 4.041 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184794129 1053007417 /nfs/dbraw/zinc/00/74/17/1053007417.db2.gz LYGNZJJWYWCTCE-XJKSGUPXSA-N 1 0 346.496 4.105 20 30 EIEDRO CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764113970 1053030221 /nfs/dbraw/zinc/03/02/21/1053030221.db2.gz SDJABQJMHXPZRI-LJQANCHMSA-N 1 0 349.478 4.152 20 30 EIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001194683536 1053070780 /nfs/dbraw/zinc/07/07/80/1053070780.db2.gz ORUQLODIQNHJDQ-VCBZYWHSSA-N 1 0 335.407 4.233 20 30 EIEDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)s1 ZINC000119611339 1053076957 /nfs/dbraw/zinc/07/69/57/1053076957.db2.gz NDMRYHXDVNCUOM-HNNXBMFYSA-N 1 0 327.497 4.127 20 30 EIEDRO CCCCCCCC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC001194731010 1053077051 /nfs/dbraw/zinc/07/70/51/1053077051.db2.gz AIZPOZLNXRYFQC-INIZCTEOSA-N 1 0 328.294 4.433 20 30 EIEDRO N#Cc1cccc(OCCC[N@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC001194754422 1053082579 /nfs/dbraw/zinc/08/25/79/1053082579.db2.gz DDJGXJIVMIUFCK-UHFFFAOYSA-N 1 0 344.817 4.178 20 30 EIEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000850354660 1053127823 /nfs/dbraw/zinc/12/78/23/1053127823.db2.gz SOIVXXDZOQFGQL-QZTJIDSGSA-N 1 0 330.472 4.293 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000764558386 1053178674 /nfs/dbraw/zinc/17/86/74/1053178674.db2.gz FMUJUOXTHAMPQP-KXBFYZLASA-N 1 0 331.843 4.202 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000850429414 1053205065 /nfs/dbraw/zinc/20/50/65/1053205065.db2.gz PWXYLNYIOLGARU-UYAOXDASSA-N 1 0 326.484 4.147 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)ccc1F ZINC000794669537 1053244854 /nfs/dbraw/zinc/24/48/54/1053244854.db2.gz UVCHSFXTDFOJHL-YADHBBJMSA-N 1 0 346.405 4.262 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000850482629 1053251004 /nfs/dbraw/zinc/25/10/04/1053251004.db2.gz QIMSKEUHJQMTAV-KVSKMBFKSA-N 1 0 327.472 4.002 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000850481063 1053252328 /nfs/dbraw/zinc/25/23/28/1053252328.db2.gz DZMZTKJROHFWPT-SZVBFZGTSA-N 1 0 328.456 4.429 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000850483580 1053256345 /nfs/dbraw/zinc/25/63/45/1053256345.db2.gz ZOJVBPWDKMKZIM-RRFJBIMHSA-N 1 0 335.879 4.177 20 30 EIEDRO C=CCOCCC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000850530701 1053294235 /nfs/dbraw/zinc/29/42/35/1053294235.db2.gz BGBVHBRJZPKIDR-UHFFFAOYSA-N 1 0 331.500 4.123 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000764770358 1053302968 /nfs/dbraw/zinc/30/29/68/1053302968.db2.gz APGSDSJUUKEWKI-IFXJQAMLSA-N 1 0 349.833 4.341 20 30 EIEDRO C[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001195155094 1053304199 /nfs/dbraw/zinc/30/41/99/1053304199.db2.gz LXDWJHGFYCYGRR-AABGKKOBSA-N 1 0 326.484 4.089 20 30 EIEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850549310 1053307203 /nfs/dbraw/zinc/30/72/03/1053307203.db2.gz FVPOAVKRPSLWBB-IRXDYDNUSA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850549309 1053307337 /nfs/dbraw/zinc/30/73/37/1053307337.db2.gz FVPOAVKRPSLWBB-IAGOWNOFSA-N 1 0 349.519 4.086 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)ccc1F ZINC000552054007 1053373840 /nfs/dbraw/zinc/37/38/40/1053373840.db2.gz FUNHHXRYFBDKOJ-RBUKOAKNSA-N 1 0 346.352 4.065 20 30 EIEDRO C[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)[C@H]1C(=O)OC(C)(C)C ZINC001195349814 1053379464 /nfs/dbraw/zinc/37/94/64/1053379464.db2.gz DPNRCIWNBHBBEL-IAGOWNOFSA-N 1 0 334.504 4.293 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC001195367324 1053384513 /nfs/dbraw/zinc/38/45/13/1053384513.db2.gz IGRKDYLWZMVODN-ZDUSSCGKSA-N 1 0 344.361 4.115 20 30 EIEDRO N#Cc1cccc(OCC[NH2+]C2(c3cccc(Cl)c3)CCC2)c1 ZINC001195453082 1053404758 /nfs/dbraw/zinc/40/47/58/1053404758.db2.gz OPECXNXBCFGSFK-UHFFFAOYSA-N 1 0 326.827 4.259 20 30 EIEDRO C[Si](C)(C)c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC001195557694 1053426249 /nfs/dbraw/zinc/42/62/49/1053426249.db2.gz IUCSMXIKHPCQKV-UHFFFAOYSA-N 1 0 334.539 4.272 20 30 EIEDRO C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000851205756 1053437726 /nfs/dbraw/zinc/43/77/26/1053437726.db2.gz JPWOYICWHVOXCT-MRXNPFEDSA-N 1 0 328.456 4.158 20 30 EIEDRO CC1=Nc2ccccc2C12CC[NH+](CC#Cc1ccc(F)cc1)CC2 ZINC001195695536 1053463206 /nfs/dbraw/zinc/46/32/06/1053463206.db2.gz YKWBXUCYAOHQEC-UHFFFAOYSA-N 1 0 332.422 4.317 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(N(C)C)cc1 ZINC000765360476 1053516239 /nfs/dbraw/zinc/51/62/39/1053516239.db2.gz UWPGBDWXSDAFAS-MRXNPFEDSA-N 1 0 339.508 4.208 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865545564 1053544552 /nfs/dbraw/zinc/54/45/52/1053544552.db2.gz CLSSQAMIRDIZQY-QGZVFWFLSA-N 1 0 332.325 4.076 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC001196056581 1053564250 /nfs/dbraw/zinc/56/42/50/1053564250.db2.gz LUVDYBBOHOTYAX-QHAWAJNXSA-N 1 0 342.527 4.267 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000865652589 1053565822 /nfs/dbraw/zinc/56/58/22/1053565822.db2.gz CWXFVANYTHFODC-LLVKDONJSA-N 1 0 340.370 4.348 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000776587362 1053567293 /nfs/dbraw/zinc/56/72/93/1053567293.db2.gz MSZZVWHOQBXKPY-IAGOWNOFSA-N 1 0 349.519 4.180 20 30 EIEDRO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](C[NH2+]CC(C)(C)CCC#N)C2 ZINC000865793364 1053595070 /nfs/dbraw/zinc/59/50/70/1053595070.db2.gz HEKAROTVLCMBIG-BJWYYQGGSA-N 1 0 349.519 4.084 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852729388 1053606507 /nfs/dbraw/zinc/60/65/07/1053606507.db2.gz MYCQEKIGROYZDI-UXHICEINSA-N 1 0 342.870 4.254 20 30 EIEDRO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(C)C)cc1C#N ZINC001196301644 1053636138 /nfs/dbraw/zinc/63/61/38/1053636138.db2.gz BFFKAWSHUHEWKG-HSZRJFAPSA-N 1 0 347.506 4.209 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866261633 1053667448 /nfs/dbraw/zinc/66/74/48/1053667448.db2.gz XSYCIPZUVRVZBH-ZDUSSCGKSA-N 1 0 333.863 4.172 20 30 EIEDRO CC(C)(C#N)CCN1CC(C)(C)[N@H+](Cc2ccccc2)CC1(C)C ZINC001196498775 1053693780 /nfs/dbraw/zinc/69/37/80/1053693780.db2.gz QRYVMQFIHDONPU-UHFFFAOYSA-N 1 0 327.516 4.301 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCCC1 ZINC000543702095 1053745569 /nfs/dbraw/zinc/74/55/69/1053745569.db2.gz BWKXZWNMVQCBGL-INIZCTEOSA-N 1 0 336.483 4.265 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000866511531 1053762133 /nfs/dbraw/zinc/76/21/33/1053762133.db2.gz VRQHTWMJJSEPEW-YOLZPYMBSA-N 1 0 338.495 4.185 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC23CCOCC3)CC1 ZINC000866529586 1053769729 /nfs/dbraw/zinc/76/97/29/1053769729.db2.gz QHLLJQKFRHIDDF-VRKFHHGPSA-N 1 0 338.495 4.187 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCSCCC(F)(F)F ZINC000866542484 1053777362 /nfs/dbraw/zinc/77/73/62/1053777362.db2.gz FEHPWGMUCUUMRF-HNNXBMFYSA-N 1 0 328.403 4.211 20 30 EIEDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866617166 1053807576 /nfs/dbraw/zinc/80/75/76/1053807576.db2.gz FYUZZKXCLWRZFS-GLJUWKHASA-N 1 0 347.487 4.417 20 30 EIEDRO C=CC[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccncc1 ZINC000765612707 1053809971 /nfs/dbraw/zinc/80/99/71/1053809971.db2.gz JIJQRILDPLWBHM-IBGZPJMESA-N 1 0 338.451 4.444 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(C#N)c(F)c1 ZINC000776738620 1053811351 /nfs/dbraw/zinc/81/13/51/1053811351.db2.gz GEVUBYIWSMYSCR-LHSJRXKWSA-N 1 0 334.394 4.235 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000552258711 1053844323 /nfs/dbraw/zinc/84/43/23/1053844323.db2.gz VIKPBFVTCYORHP-IOMROCGXSA-N 1 0 338.426 4.138 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)ccc1F ZINC000121778694 1053847961 /nfs/dbraw/zinc/84/79/61/1053847961.db2.gz LLSPOUMBOVUFHF-PKOBYXMFSA-N 1 0 342.414 4.159 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000121836393 1053850918 /nfs/dbraw/zinc/85/09/18/1053850918.db2.gz AXHFOKYSCBACOZ-QZTJIDSGSA-N 1 0 345.446 4.296 20 30 EIEDRO N#CCCOCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000338965660 1053875410 /nfs/dbraw/zinc/87/54/10/1053875410.db2.gz ZYEYAFGRLLVDCF-UHFFFAOYSA-N 1 0 340.389 4.380 20 30 EIEDRO C[NH+](C)Cc1ccc(NC(=S)Nc2ccccc2C#N)cc1Cl ZINC000795019846 1053905451 /nfs/dbraw/zinc/90/54/51/1053905451.db2.gz YFNJCWQJWBIBKD-UHFFFAOYSA-N 1 0 344.871 4.082 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccccc2F)ccc1OC ZINC000113308882 1053917272 /nfs/dbraw/zinc/91/72/72/1053917272.db2.gz VJVCYNFYGDSTNA-ZBFHGGJFSA-N 1 0 342.414 4.366 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000113322348 1053923886 /nfs/dbraw/zinc/92/38/86/1053923886.db2.gz GIRBFXCVECRKBJ-CQSZACIVSA-N 1 0 331.362 4.151 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C)cc2C)ccc1OC ZINC000113347851 1053923936 /nfs/dbraw/zinc/92/39/36/1053923936.db2.gz KHALHJHUVMXPQQ-LJQANCHMSA-N 1 0 338.451 4.283 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cccc(C)c2C)ccc1OC ZINC000113348242 1053925626 /nfs/dbraw/zinc/92/56/26/1053925626.db2.gz DXIQRLCRCIGDDN-LJQANCHMSA-N 1 0 338.451 4.283 20 30 EIEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC001197701380 1053976645 /nfs/dbraw/zinc/97/66/45/1053976645.db2.gz HNLWGCKOUGXYDN-GFCCVEGCSA-N 1 0 329.387 4.152 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)ccc1F ZINC001197692547 1053976797 /nfs/dbraw/zinc/97/67/97/1053976797.db2.gz NMPBVGFRSSGYKX-SFHVURJKSA-N 1 0 330.447 4.137 20 30 EIEDRO C#CCC1([NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CCCCC1 ZINC001198083848 1054068713 /nfs/dbraw/zinc/06/87/13/1054068713.db2.gz DMKMZSNMMMBNPB-MRXNPFEDSA-N 1 0 346.902 4.175 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000011102886 1054091764 /nfs/dbraw/zinc/09/17/64/1054091764.db2.gz RTZWHPVNBFLZCS-UHFFFAOYSA-N 1 0 331.415 4.150 20 30 EIEDRO CCC#C[C@@H](C)[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001198228342 1054103998 /nfs/dbraw/zinc/10/39/98/1054103998.db2.gz FGKBFQNVBLGQIA-MRXNPFEDSA-N 1 0 336.520 4.051 20 30 EIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)cc1 ZINC001198243412 1054108503 /nfs/dbraw/zinc/10/85/03/1054108503.db2.gz VDXQRJLSQBCUHP-JOCHJYFZSA-N 1 0 333.406 4.118 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)c(Br)c1 ZINC001198278304 1054112431 /nfs/dbraw/zinc/11/24/31/1054112431.db2.gz JDCLQJRHZYOABQ-WMZOPIPTSA-N 1 0 345.284 4.331 20 30 EIEDRO CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001198429947 1054144236 /nfs/dbraw/zinc/14/42/36/1054144236.db2.gz PRAHKJHIDUNMGW-AWEZNQCLSA-N 1 0 345.512 4.092 20 30 EIEDRO C#C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001198526744 1054176625 /nfs/dbraw/zinc/17/66/25/1054176625.db2.gz UVVLXROJRWFTQE-LJQANCHMSA-N 1 0 348.446 4.295 20 30 EIEDRO CN(C)c1ccc(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)cc1 ZINC000775880618 1054199450 /nfs/dbraw/zinc/19/94/50/1054199450.db2.gz KIDXFSKLMRHPAN-UHFFFAOYSA-N 1 0 337.442 4.143 20 30 EIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775881443 1054203923 /nfs/dbraw/zinc/20/39/23/1054203923.db2.gz FFDNNXNVRMZRGL-UHFFFAOYSA-N 1 0 349.478 4.012 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)CCc2ccc(Cl)cc2)cc1 ZINC000123620559 1054210565 /nfs/dbraw/zinc/21/05/65/1054210565.db2.gz IKUBFIRLDVWZDY-OAHLLOKOSA-N 1 0 328.843 4.305 20 30 EIEDRO CCC[C@@](C)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC001198633278 1054211653 /nfs/dbraw/zinc/21/16/53/1054211653.db2.gz YDMJJUANUANFRU-OAQYLSRUSA-N 1 0 335.451 4.192 20 30 EIEDRO CN(C)c1ccc(C2CC[NH+](Cc3cccc(C#N)c3F)CC2)cc1 ZINC000775884552 1054217216 /nfs/dbraw/zinc/21/72/16/1054217216.db2.gz LFXODEFXUHSZAK-UHFFFAOYSA-N 1 0 337.442 4.143 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001198705815 1054245652 /nfs/dbraw/zinc/24/56/52/1054245652.db2.gz MFNWXCODJAPNAV-OAQYLSRUSA-N 1 0 334.463 4.451 20 30 EIEDRO CCc1ccc([C@@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)N(C)C)cc1 ZINC001198970567 1054313543 /nfs/dbraw/zinc/31/35/43/1054313543.db2.gz ZGEWFZYPAUHMHP-JOCHJYFZSA-N 1 0 349.522 4.443 20 30 EIEDRO C[C@H](CCc1ccco1)[NH2+]Cc1cc(C#N)ccc1Br ZINC001198991237 1054323944 /nfs/dbraw/zinc/32/39/44/1054323944.db2.gz NQYONCSATHOLIB-GFCCVEGCSA-N 1 0 333.229 4.025 20 30 EIEDRO CCN(CC)[C@H](C[NH2+]Cc1c(C)cc(C#N)cc1C)Cc1ccccc1 ZINC001199188928 1054361735 /nfs/dbraw/zinc/36/17/35/1054361735.db2.gz GUQHWONWACMURA-QFIPXVFZSA-N 1 0 349.522 4.218 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cc(F)ccc1F ZINC000123945639 1054382945 /nfs/dbraw/zinc/38/29/45/1054382945.db2.gz FRPNLWWBSGQRCO-DJJJIMSYSA-N 1 0 330.378 4.497 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017338 1054400875 /nfs/dbraw/zinc/40/08/75/1054400875.db2.gz NPKYQVQOYRRTCM-IIBYNOLFSA-N 1 0 347.462 4.435 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(C(F)(F)F)nc1 ZINC000872130979 1054406824 /nfs/dbraw/zinc/40/68/24/1054406824.db2.gz NWLLMYQLTVNFPX-ZBEGNZNMSA-N 1 0 331.341 4.310 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858051191 1054408530 /nfs/dbraw/zinc/40/85/30/1054408530.db2.gz JGZZFAZKPFVMLK-GOSISDBHSA-N 1 0 327.472 4.132 20 30 EIEDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000858179200 1054432032 /nfs/dbraw/zinc/43/20/32/1054432032.db2.gz IEIJZGXFKXSLPL-IBGZPJMESA-N 1 0 341.405 4.070 20 30 EIEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776014458 1054439238 /nfs/dbraw/zinc/43/92/38/1054439238.db2.gz RTFXJXFOCHCEII-RHSMWYFYSA-N 1 0 325.374 4.252 20 30 EIEDRO C[NH+](C)C1(C)CCC(N=Nc2ncnc3c4ccccc4oc32)CC1 ZINC000872337638 1054440340 /nfs/dbraw/zinc/44/03/40/1054440340.db2.gz JCACSUZPRXZTEP-UHFFFAOYSA-N 1 0 337.427 4.038 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccns2)cc1OC ZINC000858318078 1054462334 /nfs/dbraw/zinc/46/23/34/1054462334.db2.gz LHEKQPZCWOSLLP-NSHDSACASA-N 1 0 338.860 4.221 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000858320836 1054464946 /nfs/dbraw/zinc/46/49/46/1054464946.db2.gz KBCIWOUGUIGHGH-DJJJIMSYSA-N 1 0 326.827 4.408 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124271777 1054465622 /nfs/dbraw/zinc/46/56/22/1054465622.db2.gz KVYPCBGPWUSNSP-CQSZACIVSA-N 1 0 347.890 4.062 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)cc1 ZINC000858330602 1054466100 /nfs/dbraw/zinc/46/61/00/1054466100.db2.gz YWWOHJRGUGFWKC-UHFFFAOYSA-N 1 0 347.380 4.483 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(F)cc2C)cc(OC)c1OC ZINC000105478054 1054525397 /nfs/dbraw/zinc/52/53/97/1054525397.db2.gz FSGRQFFBKWRWBK-UHFFFAOYSA-N 1 0 329.415 4.170 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N(C)CCCCCC[NH3+] ZINC000873311633 1054529011 /nfs/dbraw/zinc/52/90/11/1054529011.db2.gz ZRHRPAFSQZWYMC-OAHLLOKOSA-N 1 0 348.516 4.064 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](CC)Oc2cccc(F)c2)c1 ZINC001200911891 1054572099 /nfs/dbraw/zinc/57/20/99/1054572099.db2.gz WAHPGTMZJIEFAC-GOSISDBHSA-N 1 0 329.415 4.338 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)ccc2F)ccc1OC ZINC000116917682 1054716374 /nfs/dbraw/zinc/71/63/74/1054716374.db2.gz JJSGEUVDRUYPNU-QGZVFWFLSA-N 1 0 342.414 4.114 20 30 EIEDRO CC(C)Oc1ccc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000776154443 1054752613 /nfs/dbraw/zinc/75/26/13/1054752613.db2.gz SVOFJHOGAMVENJ-QGZVFWFLSA-N 1 0 338.451 4.269 20 30 EIEDRO C[C@H](C#N)OCC[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000860068043 1054767722 /nfs/dbraw/zinc/76/77/22/1054767722.db2.gz JGRKCYWCXSFCNT-OAHLLOKOSA-N 1 0 339.464 4.160 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2ccc(C#N)cc2OC(F)(F)F)c1 ZINC001201397194 1054774591 /nfs/dbraw/zinc/77/45/91/1054774591.db2.gz RTHMVZXMFWRTPE-UHFFFAOYSA-N 1 0 335.329 4.262 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2ccccc2-c2ccc(C#N)cn2)c1 ZINC001201402648 1054777430 /nfs/dbraw/zinc/77/74/30/1054777430.db2.gz CVUPKPNAYYSVFF-UHFFFAOYSA-N 1 0 328.419 4.425 20 30 EIEDRO CC(C)OCc1ccccc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000776161172 1054785634 /nfs/dbraw/zinc/78/56/34/1054785634.db2.gz UVZXERSSHRXZHR-QGZVFWFLSA-N 1 0 338.451 4.365 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)c1 ZINC000776186210 1054803250 /nfs/dbraw/zinc/80/32/50/1054803250.db2.gz RXLBZBBICUJUTQ-KRWDZBQOSA-N 1 0 344.842 4.325 20 30 EIEDRO C=CCOCc1ncn2c1C[N@H+](C[C@H](C)CCC=C(C)C)CCC2 ZINC001201486022 1054815116 /nfs/dbraw/zinc/81/51/16/1054815116.db2.gz LQSDPXHSJMEWRF-GOSISDBHSA-N 1 0 331.504 4.174 20 30 EIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@@H](C)CCC=C(C)C)CC2 ZINC001201486443 1054815329 /nfs/dbraw/zinc/81/53/29/1054815329.db2.gz JTQHXPXESCXXBM-PZJWPPBQSA-N 1 0 332.532 4.402 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1Cl ZINC001201473690 1054827309 /nfs/dbraw/zinc/82/73/09/1054827309.db2.gz WGLCSTHKCDNDDO-LZQZEXGQSA-N 1 0 347.886 4.342 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001201644620 1054876395 /nfs/dbraw/zinc/87/63/95/1054876395.db2.gz IEGVAGLZCDHOAV-IAGOWNOFSA-N 1 0 336.520 4.358 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC001201760515 1054898101 /nfs/dbraw/zinc/89/81/01/1054898101.db2.gz GURXTZIVRWHNNU-GFCCVEGCSA-N 1 0 332.271 4.055 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001201813472 1054912068 /nfs/dbraw/zinc/91/20/68/1054912068.db2.gz FAHVQXFAMKVZGT-ICSRJNTNSA-N 1 0 332.488 4.054 20 30 EIEDRO CCCCCCCC[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC001201815166 1054914752 /nfs/dbraw/zinc/91/47/52/1054914752.db2.gz YEQDQWBSMNSSPQ-PWRODBHTSA-N 1 0 346.515 4.191 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001201776577 1054915271 /nfs/dbraw/zinc/91/52/71/1054915271.db2.gz FTUFAAKPWCLYPN-NJDAHSKKSA-N 1 0 346.515 4.191 20 30 EIEDRO CCCCCCCCCC[N@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001201852633 1054921016 /nfs/dbraw/zinc/92/10/16/1054921016.db2.gz FSGVSNKVJLTVOZ-SFHVURJKSA-N 1 0 335.536 4.497 20 30 EIEDRO C[C@H]([NH3+])c1ccc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)cc1 ZINC000876538938 1054926495 /nfs/dbraw/zinc/92/64/95/1054926495.db2.gz ZDTSMSUNKYBBAR-HNNXBMFYSA-N 1 0 333.435 4.028 20 30 EIEDRO CCCCCCCCC[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001201840098 1054931854 /nfs/dbraw/zinc/93/18/54/1054931854.db2.gz UBFGIWYCVKQYTB-FQEVSTJZSA-N 1 0 347.547 4.492 20 30 EIEDRO CCCCCCCCC[N@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001201846297 1054932952 /nfs/dbraw/zinc/93/29/52/1054932952.db2.gz HALJCQWPBUXCJS-ACDBMABISA-N 1 0 346.515 4.214 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000876600955 1054935062 /nfs/dbraw/zinc/93/50/62/1054935062.db2.gz WETOAQCQLXQGBR-HOCLYGCPSA-N 1 0 348.899 4.308 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000876807526 1054960125 /nfs/dbraw/zinc/96/01/25/1054960125.db2.gz GCMPNQJGYGWEJS-QFBILLFUSA-N 1 0 328.481 4.224 20 30 EIEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1CC[C@H](C)CCC=C(C)C ZINC001201970767 1054973010 /nfs/dbraw/zinc/97/30/10/1054973010.db2.gz BHQXRQLRIUOJBX-UYAOXDASSA-N 1 0 345.531 4.295 20 30 EIEDRO COc1ccc2cc(C[NH2+][C@H](C)CC3(C#N)CCOCC3)ccc2c1 ZINC000876908514 1054981735 /nfs/dbraw/zinc/98/17/35/1054981735.db2.gz NRYDEZFJEDQEBD-MRXNPFEDSA-N 1 0 338.451 4.037 20 30 EIEDRO CN(c1ccc(C[NH2+]Cc2cccc(C#N)n2)cc1)C1CCCCC1 ZINC000876988853 1054992725 /nfs/dbraw/zinc/99/27/25/1054992725.db2.gz OKQSEQOXQPNABS-UHFFFAOYSA-N 1 0 334.467 4.012 20 30 EIEDRO CC(C)(CF)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC001202066143 1055007394 /nfs/dbraw/zinc/00/73/94/1055007394.db2.gz MRGKMBDEEFSOMA-LLVKDONJSA-N 1 0 347.274 4.396 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC3(CCCc4ccccc43)CC2)cc1 ZINC001137115562 1055010691 /nfs/dbraw/zinc/01/06/91/1055010691.db2.gz VRFVHIVHXSMRNW-UHFFFAOYSA-N 1 0 346.474 4.459 20 30 EIEDRO C#CCCCCCC[NH2+][C@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000877148423 1055027339 /nfs/dbraw/zinc/02/73/39/1055027339.db2.gz KFKBFYYSAQDJRQ-KRWDZBQOSA-N 1 0 326.444 4.002 20 30 EIEDRO N#CCOc1cccc(N[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877169179 1055031326 /nfs/dbraw/zinc/03/13/26/1055031326.db2.gz JALPTEHFFWMVIN-SIKLNZKXSA-N 1 0 347.462 4.369 20 30 EIEDRO CCC[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)OC ZINC001202545579 1055031948 /nfs/dbraw/zinc/03/19/48/1055031948.db2.gz ICKVBYDFGHZUOJ-OAQYLSRUSA-N 1 0 338.451 4.042 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000877489995 1055062879 /nfs/dbraw/zinc/06/28/79/1055062879.db2.gz SLORITYAWBXSTM-YOEHRIQHSA-N 1 0 329.806 4.172 20 30 EIEDRO C#CCCCCCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000877522530 1055072234 /nfs/dbraw/zinc/07/22/34/1055072234.db2.gz BQJLYWNQBCTBGS-AWEZNQCLSA-N 1 0 343.393 4.285 20 30 EIEDRO Cc1cc(C[NH2+]C[C@H](C)CCC#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000877570967 1055083658 /nfs/dbraw/zinc/08/36/58/1055083658.db2.gz VHWGVEPSIYALRK-CQSZACIVSA-N 1 0 331.460 4.372 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000126673899 1055109013 /nfs/dbraw/zinc/10/90/13/1055109013.db2.gz WEPKBXVYKMYEPD-XZOQPEGZSA-N 1 0 342.442 4.165 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(Cl)cc(Cl)c1F ZINC000877734829 1055111910 /nfs/dbraw/zinc/11/19/10/1055111910.db2.gz HIMRIIBBDXJXET-LLVKDONJSA-N 1 0 345.245 4.321 20 30 EIEDRO N#CC1CCC([NH2+]CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000877805074 1055123116 /nfs/dbraw/zinc/12/31/16/1055123116.db2.gz HWAVMPBUKRDKPF-UHFFFAOYSA-N 1 0 333.273 4.153 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)cc1OC ZINC000877814174 1055127271 /nfs/dbraw/zinc/12/72/71/1055127271.db2.gz VEXLLDOSKXESSZ-MRXNPFEDSA-N 1 0 344.480 4.014 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000877951908 1055161103 /nfs/dbraw/zinc/16/11/03/1055161103.db2.gz UHDJVWKKIKVVCW-FCHUYYIVSA-N 1 0 332.447 4.046 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H](C)c1cccs1)c1ccccc1 ZINC000877970598 1055164571 /nfs/dbraw/zinc/16/45/71/1055164571.db2.gz PAVUSDYOTKTGCF-KXBFYZLASA-N 1 0 326.465 4.182 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)cc1 ZINC001202467141 1055183102 /nfs/dbraw/zinc/18/31/02/1055183102.db2.gz VFZQJTNCEBROFN-KRWDZBQOSA-N 1 0 344.227 4.347 20 30 EIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1ccc(Br)nc1 ZINC001252120461 1055224926 /nfs/dbraw/zinc/22/49/26/1055224926.db2.gz WRQXYKPNFJATAU-OAHLLOKOSA-N 1 0 343.309 4.045 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1 ZINC000107714440 1055258814 /nfs/dbraw/zinc/25/88/14/1055258814.db2.gz RRWTWMJJOIJSCL-UHFFFAOYSA-N 1 0 346.478 4.240 20 30 EIEDRO CCCCCCCC[C@@H](O)C[NH2+]Cc1cccnc1Br ZINC001252141140 1055283205 /nfs/dbraw/zinc/28/32/05/1055283205.db2.gz WQQMNECCLJXOOL-OAHLLOKOSA-N 1 0 343.309 4.045 20 30 EIEDRO N#C[C@@H]1CCCN(Cc2c(Cl)cccc2Br)CC1 ZINC001137815527 1055324473 /nfs/dbraw/zinc/32/44/73/1055324473.db2.gz OMIIEHXTTHOWDZ-LLVKDONJSA-N 1 0 327.653 4.228 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520016 1055331810 /nfs/dbraw/zinc/33/18/10/1055331810.db2.gz FKRDUFXQSDCBMN-XXBNENTESA-N 1 0 348.490 4.299 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1cccc(C)c1C)c1ccccc1 ZINC000878639786 1055363483 /nfs/dbraw/zinc/36/34/83/1055363483.db2.gz VGTMUIBRPXSJFW-JOCHJYFZSA-N 1 0 334.463 4.176 20 30 EIEDRO C[C@@](O)(C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1Cl ZINC000765807530 1055418513 /nfs/dbraw/zinc/41/85/13/1055418513.db2.gz DPVNYQGONJDXKO-VQTJNVASSA-N 1 0 340.854 4.086 20 30 EIEDRO C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000553399549 1055438348 /nfs/dbraw/zinc/43/83/48/1055438348.db2.gz WIMNMJTWEILWNT-QRVBRYPASA-N 1 0 347.506 4.365 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921671944 1055532116 /nfs/dbraw/zinc/53/21/16/1055532116.db2.gz SEGUTYKIFMKTKQ-CYBMUJFWSA-N 1 0 332.494 4.209 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(C#N)cc4F)C3)nc2c1 ZINC000130838032 1055720067 /nfs/dbraw/zinc/72/00/67/1055720067.db2.gz HRIOABOFGSIUNC-KRWDZBQOSA-N 1 0 348.425 4.262 20 30 EIEDRO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273420791 1055807015 /nfs/dbraw/zinc/80/70/15/1055807015.db2.gz JTZRCEDCZJRZTI-ICSRJNTNSA-N 1 0 342.389 4.189 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1snc(Cl)c1C#N)c1ccccc1 ZINC000301118515 1055896736 /nfs/dbraw/zinc/89/67/36/1055896736.db2.gz XJCYEYWUDAXYGH-CQSZACIVSA-N 1 0 334.876 4.163 20 30 EIEDRO N#Cc1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1C(F)(F)F ZINC000301188360 1055905669 /nfs/dbraw/zinc/90/56/69/1055905669.db2.gz WWVIOCMQOANJLR-MRXNPFEDSA-N 1 0 337.389 4.032 20 30 EIEDRO CC(C)(C)[NH+]1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301191562 1055907322 /nfs/dbraw/zinc/90/73/22/1055907322.db2.gz ZSCVWKZKTXGLPY-UHFFFAOYSA-N 1 0 325.378 4.252 20 30 EIEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273523456 1055909257 /nfs/dbraw/zinc/90/92/57/1055909257.db2.gz QHEDUJYJDMNICN-UYAOXDASSA-N 1 0 342.389 4.189 20 30 EIEDRO N#Cc1c(F)cccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000301248738 1055912686 /nfs/dbraw/zinc/91/26/86/1055912686.db2.gz LXVZDMQUKSOJBF-AYHJJNSGSA-N 1 0 335.426 4.305 20 30 EIEDRO CCCC[N@H+](C)CC1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000301494930 1055941822 /nfs/dbraw/zinc/94/18/22/1055941822.db2.gz AJILBVUWTNFNRU-UHFFFAOYSA-N 1 0 336.483 4.055 20 30 EIEDRO C[C@@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000301510644 1055944938 /nfs/dbraw/zinc/94/49/38/1055944938.db2.gz BHNKUKHPGIYWCU-GDBMZVCRSA-N 1 0 340.858 4.072 20 30 EIEDRO N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000301699525 1055970021 /nfs/dbraw/zinc/97/00/21/1055970021.db2.gz DZXPYLNAQKKCDS-IFMALSPDSA-N 1 0 331.463 4.049 20 30 EIEDRO C[N@@H+]1CC[C@H](Nc2ccc(Cl)c(C#N)n2)[C@H]1c1ccc(Cl)cc1 ZINC000301868069 1055996036 /nfs/dbraw/zinc/99/60/36/1055996036.db2.gz IPGOWSKKRPZTDG-WMLDXEAASA-N 1 0 347.249 4.117 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)nc1 ZINC000554077504 1056001938 /nfs/dbraw/zinc/00/19/38/1056001938.db2.gz OCGUKNNPHDQINO-FUHWJXTLSA-N 1 0 345.368 4.398 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1ccco1 ZINC000301993924 1056007173 /nfs/dbraw/zinc/00/71/73/1056007173.db2.gz ZTKMORSFTPOOBG-SFHVURJKSA-N 1 0 334.423 4.194 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000302113839 1056019359 /nfs/dbraw/zinc/01/93/59/1056019359.db2.gz BTSRPXQMSFTQNU-UHFFFAOYSA-N 1 0 339.483 4.216 20 30 EIEDRO N#Cc1cc(NC2CC[NH+](C3CCCC3)CC2)ccc1C(F)(F)F ZINC000302184066 1056028191 /nfs/dbraw/zinc/02/81/91/1056028191.db2.gz GOLXBMAQZCHBDU-UHFFFAOYSA-N 1 0 337.389 4.396 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCOc2cccc(Cl)c2)C2CC2)cc1 ZINC000554180400 1056040632 /nfs/dbraw/zinc/04/06/32/1056040632.db2.gz YXISAQRDKIZNQY-UHFFFAOYSA-N 1 0 326.827 4.255 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)c1ccc(C#N)cc1 ZINC000091437045 1056137456 /nfs/dbraw/zinc/13/74/56/1056137456.db2.gz URNXVTPVPDNXQT-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@@H](c1ccsc1)[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000462703483 1056201913 /nfs/dbraw/zinc/20/19/13/1056201913.db2.gz SVQAWZNTRSXLAJ-HNNXBMFYSA-N 1 0 348.475 4.051 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2C(C)C)c1C ZINC000303690623 1056241509 /nfs/dbraw/zinc/24/15/09/1056241509.db2.gz PODFUJHKQSIULD-IBGZPJMESA-N 1 0 341.499 4.061 20 30 EIEDRO C=CCCCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000303701265 1056245729 /nfs/dbraw/zinc/24/57/29/1056245729.db2.gz BCRAHHLZBBDGCN-FQEVSTJZSA-N 1 0 343.515 4.067 20 30 EIEDRO CCc1ccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)C2CC2)cc1 ZINC000060356099 1056423239 /nfs/dbraw/zinc/42/32/39/1056423239.db2.gz SMUXFXBADARRLY-UHFFFAOYSA-N 1 0 347.462 4.114 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000921760318 1056461045 /nfs/dbraw/zinc/46/10/45/1056461045.db2.gz PQVPQZOEAIDQIE-UHFFFAOYSA-N 1 0 348.475 4.026 20 30 EIEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000921827483 1056659170 /nfs/dbraw/zinc/65/91/70/1056659170.db2.gz GBRARYAMAZSAKW-SNVBAGLBSA-N 1 0 326.343 4.369 20 30 EIEDRO N#Cc1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1Cl ZINC000110676804 1056682990 /nfs/dbraw/zinc/68/29/90/1056682990.db2.gz GJICWHAKNOAOPY-QGZVFWFLSA-N 1 0 329.831 4.444 20 30 EIEDRO C[NH+](C)[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 ZINC000111103851 1056746556 /nfs/dbraw/zinc/74/65/56/1056746556.db2.gz VYUGTQMHILPIKX-CQSZACIVSA-N 1 0 339.386 4.353 20 30 EIEDRO CCO[C@@H]1C[C@@H](/[NH+]=C/c2ccc(N(CC)CC)cc2O)C12CCC2 ZINC000741465632 1058224483 /nfs/dbraw/zinc/22/44/83/1058224483.db2.gz WOVATQJIPZISAL-FGCHFJFUSA-N 1 0 330.472 4.005 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000741791665 1058372832 /nfs/dbraw/zinc/37/28/32/1058372832.db2.gz WWIJTYJDWBGFIC-KRWDZBQOSA-N 1 0 340.854 4.307 20 30 EIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC#N)cc2)C12CCCCC2 ZINC000741803461 1058381682 /nfs/dbraw/zinc/38/16/82/1058381682.db2.gz BZENRNQYTPPMOW-PMACEKPBSA-N 1 0 342.483 4.149 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1C#N ZINC000742366783 1058577419 /nfs/dbraw/zinc/57/74/19/1058577419.db2.gz RMUWYZMSQLWZGY-UHFFFAOYSA-N 1 0 336.366 4.256 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1C#N ZINC000742369202 1058578164 /nfs/dbraw/zinc/57/81/64/1058578164.db2.gz YJZBWFBNXGUXCT-UHFFFAOYSA-N 1 0 336.366 4.256 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2F)cc1 ZINC000742391027 1058591021 /nfs/dbraw/zinc/59/10/21/1058591021.db2.gz ZRMHOWLCOVKJNS-HNNXBMFYSA-N 1 0 329.390 4.260 20 30 EIEDRO Cc1ncsc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000742371800 1058595672 /nfs/dbraw/zinc/59/56/72/1058595672.db2.gz DNNSGPPQGRQEHJ-UHFFFAOYSA-N 1 0 325.462 4.342 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C)cc3)C2)cc1 ZINC000742379543 1058604264 /nfs/dbraw/zinc/60/42/64/1058604264.db2.gz DKWPDQBOAGEAFK-NRFANRHFSA-N 1 0 348.490 4.156 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1)c1ccccc1 ZINC000743472645 1059022072 /nfs/dbraw/zinc/02/20/72/1059022072.db2.gz IXUZILLTKPENSD-NQIIRXRSSA-N 1 0 349.478 4.371 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000743543751 1059041343 /nfs/dbraw/zinc/04/13/43/1059041343.db2.gz JQOKEAZVBPKKPD-QBUWPKIASA-N 1 0 337.552 4.298 20 30 EIEDRO C#CC[N@H+](CC1CCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000743848457 1059151665 /nfs/dbraw/zinc/15/16/65/1059151665.db2.gz QPFZNHDNMNOVQP-MRXNPFEDSA-N 1 0 334.257 4.008 20 30 EIEDRO C#CCN(Cc1ccc(F)cc1)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000744211239 1059328311 /nfs/dbraw/zinc/32/83/11/1059328311.db2.gz FUGYNEOCOXATPH-UHFFFAOYSA-N 1 0 349.405 4.184 20 30 EIEDRO C#CCN(Cc1ccc(F)cc1)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000744211383 1059330680 /nfs/dbraw/zinc/33/06/80/1059330680.db2.gz MAELNUJNCRWUBZ-UHFFFAOYSA-N 1 0 349.405 4.184 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1F ZINC000746152149 1060046540 /nfs/dbraw/zinc/04/65/40/1060046540.db2.gz HVOSMEGLYXMCOE-FQEVSTJZSA-N 1 0 344.405 4.028 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000191464840 1060188362 /nfs/dbraw/zinc/18/83/62/1060188362.db2.gz HVXIXJJTPAHAOP-INIZCTEOSA-N 1 0 329.488 4.002 20 30 EIEDRO C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000766348499 1060272733 /nfs/dbraw/zinc/27/27/33/1060272733.db2.gz AENNTZBKFBBULZ-KRWDZBQOSA-N 1 0 325.500 4.254 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(CCO)CCCC2)cc1 ZINC000766376200 1060320609 /nfs/dbraw/zinc/32/06/09/1060320609.db2.gz SORUMNVNRQSNPH-MRXNPFEDSA-N 1 0 337.891 4.411 20 30 EIEDRO CC(C)[C@@H](C#N)N1CCN(Cc2ccc(C3CCCC3)cc2)CC1 ZINC001168873326 1060497180 /nfs/dbraw/zinc/49/71/80/1060497180.db2.gz NSPRJFQWBXYCPB-OAQYLSRUSA-N 1 0 325.500 4.010 20 30 EIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCC(=O)Nc2ccccc2)cc1 ZINC001168982601 1060551295 /nfs/dbraw/zinc/55/12/95/1060551295.db2.gz GTFKBFJORNYQPE-NRFANRHFSA-N 1 0 349.478 4.450 20 30 EIEDRO CCCCCCCCC[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC001168957937 1060557119 /nfs/dbraw/zinc/55/71/19/1060557119.db2.gz KVNPBCAIHSLUIN-UHFFFAOYSA-N 1 0 332.536 4.473 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C(c1ccccc1)c1ccccc1 ZINC001169104167 1060639196 /nfs/dbraw/zinc/63/91/96/1060639196.db2.gz ZTRQGZUJNWGSJB-WIYYLYMNSA-N 1 0 348.490 4.241 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC001169175247 1060687711 /nfs/dbraw/zinc/68/77/11/1060687711.db2.gz BWHJXPXJHUCJBD-MRXNPFEDSA-N 1 0 327.390 4.391 20 30 EIEDRO C=C(C)[C@@H]([NH2+]C[C@@H]1Cc2cc(OC)ccc2O1)c1ccc(F)c(F)c1 ZINC001169472531 1060833426 /nfs/dbraw/zinc/83/34/26/1060833426.db2.gz HSZLYVQTAGYLST-OXJNMPFZSA-N 1 0 345.389 4.184 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nc2ccccc2cc1C#N ZINC001169683475 1060896020 /nfs/dbraw/zinc/89/60/20/1060896020.db2.gz NBYKPRDVXRMZCE-SFHVURJKSA-N 1 0 328.419 4.347 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc2[nH]cc(CC#N)c21 ZINC001169694153 1060904973 /nfs/dbraw/zinc/90/49/73/1060904973.db2.gz ZXMGHCIKLMDVSJ-KRWDZBQOSA-N 1 0 330.435 4.474 20 30 EIEDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC001169853696 1060999546 /nfs/dbraw/zinc/99/95/46/1060999546.db2.gz HHCGKDCDMYJKIU-XLIONFOSSA-N 1 0 347.462 4.073 20 30 EIEDRO C#CC[N@@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C1CCCC1 ZINC000766940658 1061068032 /nfs/dbraw/zinc/06/80/32/1061068032.db2.gz CUOJYTWKHKPLEG-UHFFFAOYSA-N 1 0 326.484 4.208 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CCc2ccccc2)cc1OC ZINC000013725913 258017149 /nfs/dbraw/zinc/01/71/49/258017149.db2.gz YKFMSYDCCIROSP-QGZVFWFLSA-N 1 0 325.452 4.371 20 30 EIEDRO C=CC[NH2+]Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000010475004 518953829 /nfs/dbraw/zinc/95/38/29/518953829.db2.gz BNPDFGGQDFVKSI-UHFFFAOYSA-N 1 0 332.241 4.304 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(Br)s1 ZINC000037985148 519072576 /nfs/dbraw/zinc/07/25/76/519072576.db2.gz PMOMCTUNFNVHDM-UHFFFAOYSA-N 1 0 338.270 4.365 20 30 EIEDRO C[N+](C)(C1CCCC1)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000188672419 717157767 /nfs/dbraw/zinc/15/77/67/717157767.db2.gz HKORGULHCWXTQT-INIZCTEOSA-N 1 0 342.290 4.118 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cnn(Cc2ccccc2)c1 ZINC000532206816 1032075014 /nfs/dbraw/zinc/07/50/14/1032075014.db2.gz OFDDGVNQUHIBFQ-DLBZAZTESA-N 1 0 330.435 4.215 20 30 EIEDRO C=CCC1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCCC1 ZINC000449861961 1032085681 /nfs/dbraw/zinc/08/56/81/1032085681.db2.gz UHOGPSSFHQFFGK-OALUTQOASA-N 1 0 332.532 4.236 20 30 EIEDRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc(C#N)cc1 ZINC000532358511 1032148771 /nfs/dbraw/zinc/14/87/71/1032148771.db2.gz KLFQGAKYSRNMTQ-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000236919346 1032209818 /nfs/dbraw/zinc/20/98/18/1032209818.db2.gz KHGGDBACRYMUJO-ZACQAIPSSA-N 1 0 337.508 4.227 20 30 EIEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(C)cc2)no1 ZINC001211975324 1032261008 /nfs/dbraw/zinc/26/10/08/1032261008.db2.gz DEPQLGUQUBTYJC-MSOLQXFVSA-N 1 0 343.471 4.123 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340185 1032281066 /nfs/dbraw/zinc/28/10/66/1032281066.db2.gz PJOBWUBIDNQDBV-HNNXBMFYSA-N 1 0 339.414 4.109 20 30 EIEDRO [NH2+]=C(Nc1ccccc1)N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000262778069 1032300397 /nfs/dbraw/zinc/30/03/97/1032300397.db2.gz ILZUEYRMYAYRTE-SAZUREKKSA-N 1 0 333.357 4.378 20 30 EIEDRO CC(C)Oc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3ccccc3F)C2)cc1 ZINC000262839176 1032311790 /nfs/dbraw/zinc/31/17/90/1032311790.db2.gz TZOVJAOSUUXWIQ-KOMQPUFPSA-N 1 0 341.430 4.286 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl)c1ccc(C#N)cc1 ZINC000127444076 1032430217 /nfs/dbraw/zinc/43/02/17/1032430217.db2.gz KRIDJUKVHWWOPT-NEPJUHHUSA-N 1 0 345.805 4.029 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000127443865 1032435204 /nfs/dbraw/zinc/43/52/04/1032435204.db2.gz KRIDJUKVHWWOPT-RYUDHWBXSA-N 1 0 345.805 4.029 20 30 EIEDRO C=C(C)[C@@H](NC(=O)NCc1cnc(C)cc1C)c1ccc(F)c(F)c1 ZINC000454813762 1032501610 /nfs/dbraw/zinc/50/16/10/1032501610.db2.gz OBCIMMPDGGDBEZ-GOSISDBHSA-N 1 0 345.393 4.093 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000533248148 1032563965 /nfs/dbraw/zinc/56/39/65/1032563965.db2.gz MGENZSHXUURYNM-OAHLLOKOSA-N 1 0 339.414 4.109 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000179878557 1032573812 /nfs/dbraw/zinc/57/38/12/1032573812.db2.gz GAABFQSGLRUJNL-KRWDZBQOSA-N 1 0 348.446 4.072 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179888458 1032576137 /nfs/dbraw/zinc/57/61/37/1032576137.db2.gz ABFKMULIDODRIM-UHFFFAOYSA-N 1 0 348.475 4.208 20 30 EIEDRO C[C@H](C#N)CN(C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000533270017 1032578166 /nfs/dbraw/zinc/57/81/66/1032578166.db2.gz ZAOVHNQISOJRQN-GFCCVEGCSA-N 1 0 344.871 4.308 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000180206595 1032595649 /nfs/dbraw/zinc/59/56/49/1032595649.db2.gz MLUZKYFVYZSQMP-ZIFCJYIRSA-N 1 0 335.451 4.225 20 30 EIEDRO COc1ccccc1C[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C ZINC000533309870 1032620639 /nfs/dbraw/zinc/62/06/39/1032620639.db2.gz VSACSDWOGZRJNU-IBGZPJMESA-N 1 0 326.415 4.063 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000180948057 1032632524 /nfs/dbraw/zinc/63/25/24/1032632524.db2.gz QVEIQBWKKIJNIA-BBRMVZONSA-N 1 0 326.278 4.471 20 30 EIEDRO C[C@H](C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000533359775 1032673246 /nfs/dbraw/zinc/67/32/46/1032673246.db2.gz ARVIZADBRALVON-QGZVFWFLSA-N 1 0 347.462 4.012 20 30 EIEDRO CC(C)c1ccc(-c2noc(CN(C)Cc3cccc(C#N)c3)n2)cc1 ZINC000026326587 1032674593 /nfs/dbraw/zinc/67/45/93/1032674593.db2.gz ZINHTRWSGRRODH-UHFFFAOYSA-N 1 0 346.434 4.364 20 30 EIEDRO C[C@H](c1nc2ccccc2n1C(F)F)N(C)Cc1cccc(C#N)c1 ZINC000026331445 1032693233 /nfs/dbraw/zinc/69/32/33/1032693233.db2.gz LHMBTRQJEAVOIG-CYBMUJFWSA-N 1 0 340.377 4.496 20 30 EIEDRO N#Cc1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)C2CCCC2)c1 ZINC000533384315 1032704227 /nfs/dbraw/zinc/70/42/27/1032704227.db2.gz UKFHLHTYYJUZLC-OAQYLSRUSA-N 1 0 333.435 4.018 20 30 EIEDRO N#Cc1cccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1F ZINC000512420852 1032734110 /nfs/dbraw/zinc/73/41/10/1032734110.db2.gz NTGWVRAGSBWIKQ-UHFFFAOYSA-N 1 0 340.242 4.014 20 30 EIEDRO CCN(CCSc1ccnc2cc(Cl)ccc21)C[C@H](C)C#N ZINC000512428404 1032745540 /nfs/dbraw/zinc/74/55/40/1032745540.db2.gz SZNZXJGCZGGUKQ-CYBMUJFWSA-N 1 0 333.888 4.462 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1)C(C)C ZINC000116805155 1018818932 /nfs/dbraw/zinc/81/89/32/1018818932.db2.gz ICAYQJYDZIFUID-UWJYYQICSA-N 1 0 341.499 4.119 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1cccc(OCC)c1O)c1ccc(F)c(F)c1 ZINC000187374906 1019491114 /nfs/dbraw/zinc/49/11/14/1019491114.db2.gz YBPQCIHIEDBLDP-SFHVURJKSA-N 1 0 333.378 4.476 20 30 EIEDRO COc1cc(C[NH2+]CCCCC#N)ccc1OCc1cccs1 ZINC000237139929 1032848894 /nfs/dbraw/zinc/84/88/94/1032848894.db2.gz JGOIEWGLTHAVFE-UHFFFAOYSA-N 1 0 330.453 4.119 20 30 EIEDRO C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000467982999 1019757127 /nfs/dbraw/zinc/75/71/27/1019757127.db2.gz KKIRLGPHIFJGAJ-FGZHOGPDSA-N 1 0 340.511 4.103 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1(CC)CC ZINC000236891960 1032863258 /nfs/dbraw/zinc/86/32/58/1032863258.db2.gz YQSJJVMELBIWKM-ZYSHUDEJSA-N 1 0 330.472 4.051 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C#N)s1 ZINC000134783589 1019988744 /nfs/dbraw/zinc/98/87/44/1019988744.db2.gz NOHRHOSOKRRKJB-CQSZACIVSA-N 1 0 343.471 4.074 20 30 EIEDRO C[C@@H](NCc1ccc(C#N)cc1F)c1nc2ccccc2n1C(F)F ZINC000547747505 1019998507 /nfs/dbraw/zinc/99/85/07/1019998507.db2.gz LTDBEDQCDDJNLN-LLVKDONJSA-N 1 0 344.340 4.293 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCc2ccc3ccccc3c2)cc1 ZINC000237594426 1032874184 /nfs/dbraw/zinc/87/41/84/1032874184.db2.gz NSISQWILSLYLAG-QGZVFWFLSA-N 1 0 330.431 4.463 20 30 EIEDRO N#CCCCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000237858425 1032886683 /nfs/dbraw/zinc/88/66/83/1032886683.db2.gz QQAAUNGWSURLNW-UHFFFAOYSA-N 1 0 341.842 4.376 20 30 EIEDRO C=CCCCCC[NH+]1CC2(C1)CCCN(C(=O)OC(C)(C)C)CC2 ZINC001209429121 1020320179 /nfs/dbraw/zinc/32/01/79/1020320179.db2.gz VGGDHLXZLZIXSY-UHFFFAOYSA-N 1 0 336.520 4.456 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001209438611 1020336649 /nfs/dbraw/zinc/33/66/49/1020336649.db2.gz PDZMIRYHYAAXQB-LSDHHAIUSA-N 1 0 325.390 4.240 20 30 EIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001167251124 1020670694 /nfs/dbraw/zinc/67/06/94/1020670694.db2.gz ARRFWATWNCEOSI-VXKWHMMOSA-N 1 0 332.447 4.467 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)C1CC1 ZINC000120307937 1020680065 /nfs/dbraw/zinc/68/00/65/1020680065.db2.gz OWCKPFIDJNJYCI-FQEVSTJZSA-N 1 0 338.451 4.044 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)N2CCCCC2)ccc1OC ZINC000060926839 1020689153 /nfs/dbraw/zinc/68/91/53/1020689153.db2.gz QPBPJMNQAKUZBM-UHFFFAOYSA-N 1 0 346.515 4.004 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001167273432 1020749319 /nfs/dbraw/zinc/74/93/19/1020749319.db2.gz GOAKHGJYBYRUHO-UHFFFAOYSA-N 1 0 330.815 4.479 20 30 EIEDRO C=CC[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000188413137 1020757026 /nfs/dbraw/zinc/75/70/26/1020757026.db2.gz LSBXAMLGMJOSAV-OAQYLSRUSA-N 1 0 340.511 4.260 20 30 EIEDRO C=CCC[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275570149 1020822617 /nfs/dbraw/zinc/82/26/17/1020822617.db2.gz CHFHCAQWIYGBEE-HXUWFJFHSA-N 1 0 336.479 4.479 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(OC(F)(F)F)c1 ZINC000175754399 1020834596 /nfs/dbraw/zinc/83/45/96/1020834596.db2.gz LCVBUFPPNXNFIB-SNVBAGLBSA-N 1 0 326.343 4.369 20 30 EIEDRO CC1(C)CC(=O)C=C(Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC001210156045 1020872521 /nfs/dbraw/zinc/87/25/21/1020872521.db2.gz WJJFVILMJBPEDT-UHFFFAOYSA-N 1 0 326.484 4.400 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000188473338 1020935664 /nfs/dbraw/zinc/93/56/64/1020935664.db2.gz OEWVYJMYZCYEKB-NRFANRHFSA-N 1 0 343.515 4.005 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)s1 ZINC000176958807 1020939950 /nfs/dbraw/zinc/93/99/50/1020939950.db2.gz JWIYZZZDWOZSSZ-UHFFFAOYSA-N 1 0 344.443 4.248 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc2ncccc2c1 ZINC000340460606 1021060904 /nfs/dbraw/zinc/06/09/04/1021060904.db2.gz NACBEEGWRHYYBE-UHFFFAOYSA-N 1 0 333.460 4.129 20 30 EIEDRO CCC[N@@H+]1CCc2c(N)sc(Nc3cc(C)cc(C#N)c3)c2C1 ZINC001210389197 1021067989 /nfs/dbraw/zinc/06/79/89/1021067989.db2.gz YYSHNRXXLBKCJF-UHFFFAOYSA-N 1 0 326.469 4.022 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1-n1cccn1 ZINC000579986518 1021083116 /nfs/dbraw/zinc/08/31/16/1021083116.db2.gz XEPKSEGISZZAGF-INIZCTEOSA-N 1 0 335.838 4.228 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@H]2C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179972771 1021194891 /nfs/dbraw/zinc/19/48/91/1021194891.db2.gz PLSGEXPCZHBIAU-FQEVSTJZSA-N 1 0 334.467 4.113 20 30 EIEDRO CC[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000472447941 1021198395 /nfs/dbraw/zinc/19/83/95/1021198395.db2.gz GCINMRKWDNKKQT-YADHBBJMSA-N 1 0 348.490 4.434 20 30 EIEDRO CCCCCCCCC(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000275723906 1021340461 /nfs/dbraw/zinc/34/04/61/1021340461.db2.gz OXOOMOQSMURSQG-HXUWFJFHSA-N 1 0 345.531 4.303 20 30 EIEDRO N#Cc1csc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000177684671 1021440606 /nfs/dbraw/zinc/44/06/06/1021440606.db2.gz NGZGMUNKHQQIRP-GOSISDBHSA-N 1 0 345.899 4.200 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000275772937 1021598937 /nfs/dbraw/zinc/59/89/37/1021598937.db2.gz ZCWDLJIKLUFRFF-INIZCTEOSA-N 1 0 331.419 4.034 20 30 EIEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)s1 ZINC000376177503 1021670975 /nfs/dbraw/zinc/67/09/75/1021670975.db2.gz IINYRVLYUXYQLL-KUHUBIRLSA-N 1 0 326.465 4.438 20 30 EIEDRO CC(C)(C[NH2+]Cc1nc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000580645108 1021805440 /nfs/dbraw/zinc/80/54/40/1021805440.db2.gz WBNIAGRAYKOGGO-UHFFFAOYSA-N 1 0 339.386 4.101 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000545301556 1021874988 /nfs/dbraw/zinc/87/49/88/1021874988.db2.gz URNSUMMAPXEEKG-CABCVRRESA-N 1 0 326.415 4.235 20 30 EIEDRO C=C(C)CC[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001167392302 1021975544 /nfs/dbraw/zinc/97/55/44/1021975544.db2.gz SHQKYKAXFMIHHZ-OAHLLOKOSA-N 1 0 337.305 4.094 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cc3ccccc3[nH]2)cc1 ZINC000683929637 1021995646 /nfs/dbraw/zinc/99/56/46/1021995646.db2.gz UNLIQHFOHLSYST-UHFFFAOYSA-N 1 0 328.337 4.328 20 30 EIEDRO COc1ccccc1OCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000582641043 1022181610 /nfs/dbraw/zinc/18/16/10/1022181610.db2.gz VQZFUPBIJLZQKF-IBGZPJMESA-N 1 0 336.435 4.003 20 30 EIEDRO C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415905463 1022209105 /nfs/dbraw/zinc/20/91/05/1022209105.db2.gz IQIPZNFLQHQFHF-UHFFFAOYSA-N 1 0 337.467 4.059 20 30 EIEDRO CC(C)=CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941839 1022348082 /nfs/dbraw/zinc/34/80/82/1022348082.db2.gz DHAJHMLTXJPZKS-RKDXNWHRSA-N 1 0 337.254 4.055 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341294310 1022368526 /nfs/dbraw/zinc/36/85/26/1022368526.db2.gz RSEUAHUJINWJBH-UGSOOPFHSA-N 1 0 341.842 4.280 20 30 EIEDRO Cc1ccc(Br)c(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000414272279 1022371427 /nfs/dbraw/zinc/37/14/27/1022371427.db2.gz YBTFRTJWRIUBOD-SFHVURJKSA-N 1 0 341.252 4.406 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(Cl)c1 ZINC000584558239 1022417219 /nfs/dbraw/zinc/41/72/19/1022417219.db2.gz GSGYVLBYLLMBDV-FQEVSTJZSA-N 1 0 338.838 4.181 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000180303779 1022510639 /nfs/dbraw/zinc/51/06/39/1022510639.db2.gz RKHKUYMDWWWJHJ-RTWAWAEBSA-N 1 0 338.426 4.252 20 30 EIEDRO CCC(CC)(C[NH2+][C@@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000310858521 1022523738 /nfs/dbraw/zinc/52/37/38/1022523738.db2.gz UPSRHJDEOBHOMK-HNNXBMFYSA-N 1 0 345.487 4.292 20 30 EIEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000378240755 1022557904 /nfs/dbraw/zinc/55/79/04/1022557904.db2.gz BPXCUGDXMBLLIA-INIZCTEOSA-N 1 0 335.382 4.218 20 30 EIEDRO CC(C)n1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000180334630 1022560441 /nfs/dbraw/zinc/56/04/41/1022560441.db2.gz OGVSMIZPGPVTSX-UHFFFAOYSA-N 1 0 330.435 4.292 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000180333836 1022561333 /nfs/dbraw/zinc/56/13/33/1022561333.db2.gz UXNHLYDVKJTJEZ-UHFFFAOYSA-N 1 0 329.428 4.448 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000378245801 1022568948 /nfs/dbraw/zinc/56/89/48/1022568948.db2.gz DWDSTNLLPABVDM-RBUKOAKNSA-N 1 0 349.478 4.156 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000580860822 1022628951 /nfs/dbraw/zinc/62/89/51/1022628951.db2.gz LTBANCMDRGDQGB-JLZZUVOBSA-N 1 0 336.273 4.007 20 30 EIEDRO C[NH+](C)[C@H](CC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000416246006 1022657140 /nfs/dbraw/zinc/65/71/40/1022657140.db2.gz ZBYXHOFHDPXRSZ-LEWJYISDSA-N 1 0 349.478 4.231 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(C#N)cs3)cc2)C1 ZINC000084084058 1022657799 /nfs/dbraw/zinc/65/77/99/1022657799.db2.gz VGURGVIEMFQGOL-CQSZACIVSA-N 1 0 339.464 4.104 20 30 EIEDRO C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCC(C)(C#N)CC1 ZINC000414353786 1022692042 /nfs/dbraw/zinc/69/20/42/1022692042.db2.gz SVTKEBHOSBMZBT-JTOQLSFASA-N 1 0 327.447 4.310 20 30 EIEDRO C[C@H]([NH2+][C@H]1C[C@H](c2cc(F)cc(F)c2)C1)c1ccc(OCC#N)cc1 ZINC000376451680 1022701086 /nfs/dbraw/zinc/70/10/86/1022701086.db2.gz XWHHWPLAQLDQTO-AXHNFQJDSA-N 1 0 342.389 4.464 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000180540580 1022714578 /nfs/dbraw/zinc/71/45/78/1022714578.db2.gz ZKNXDECVMHHOKF-SJORKVTESA-N 1 0 346.434 4.186 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2ccc(C)nn2)C(C)(C)C)cc1 ZINC000414373645 1022799874 /nfs/dbraw/zinc/79/98/74/1022799874.db2.gz SWWPNGJFTHHEII-UHFFFAOYSA-N 1 0 325.456 4.151 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000181604508 1022861616 /nfs/dbraw/zinc/86/16/16/1022861616.db2.gz DCGUTGIHZNRSTJ-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO CC(C)(C)[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000126265081 1022878789 /nfs/dbraw/zinc/87/87/89/1022878789.db2.gz NIASJYJDQVDZNC-UHFFFAOYSA-N 1 0 341.480 4.249 20 30 EIEDRO C[C@H]1C[C@@H](N(C)Cc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000156980475 1022921251 /nfs/dbraw/zinc/92/12/51/1022921251.db2.gz RFTVCYXMHBKKLV-AVRDEDQJSA-N 1 0 333.479 4.043 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000424298906 1023045262 /nfs/dbraw/zinc/04/52/62/1023045262.db2.gz ULRLOXMXULFWNT-JQFCIGGWSA-N 1 0 336.273 4.007 20 30 EIEDRO CC[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(C#N)cc1 ZINC000278808045 1023163600 /nfs/dbraw/zinc/16/36/00/1023163600.db2.gz RUFWTNPYXIOVFR-INIZCTEOSA-N 1 0 338.842 4.339 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1)C(C)C ZINC000075277028 1023225423 /nfs/dbraw/zinc/22/54/23/1023225423.db2.gz YDMYPAIVHIPOFJ-QGZVFWFLSA-N 1 0 349.478 4.280 20 30 EIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCc1c(F)cccc1Cl ZINC000584712741 1023226185 /nfs/dbraw/zinc/22/61/85/1023226185.db2.gz DZCPJUOGMYFNJR-UHFFFAOYSA-N 1 0 346.833 4.042 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364065993 1023236112 /nfs/dbraw/zinc/23/61/12/1023236112.db2.gz LRWZNPVCGPSJOO-AZUAARDMSA-N 1 0 328.500 4.102 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000417363423 1023288274 /nfs/dbraw/zinc/28/82/74/1023288274.db2.gz KLUVUZDLAMMVKO-RTWAWAEBSA-N 1 0 348.446 4.463 20 30 EIEDRO CCOC(=O)C1(C)CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000417374622 1023288802 /nfs/dbraw/zinc/28/88/02/1023288802.db2.gz YFRHEAHFMFIBLY-BIXGBWIQSA-N 1 0 340.467 4.037 20 30 EIEDRO COc1ncc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000417374735 1023289297 /nfs/dbraw/zinc/28/92/97/1023289297.db2.gz YNQQURBDPLXFHN-KPZWWZAWSA-N 1 0 341.842 4.343 20 30 EIEDRO CC1CC[NH+](Cc2ccc(-c3noc(CC(C)(C)C#N)n3)cc2)CC1 ZINC000581514114 1023317103 /nfs/dbraw/zinc/31/71/03/1023317103.db2.gz YEKYPCHEUHDLIT-UHFFFAOYSA-N 1 0 338.455 4.061 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C2CC2)cc1 ZINC000073053028 1023320908 /nfs/dbraw/zinc/32/09/08/1023320908.db2.gz BZIMTUAWMPXICL-JOCHJYFZSA-N 1 0 349.478 4.286 20 30 EIEDRO N#CCCC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000581546053 1023350193 /nfs/dbraw/zinc/35/01/93/1023350193.db2.gz RVUBYXVSIGUAFA-UHFFFAOYSA-N 1 0 334.847 4.017 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(F)cc2Cl)c1 ZINC000136142452 1023352626 /nfs/dbraw/zinc/35/26/26/1023352626.db2.gz SBTGJNTYWYMYKR-INIZCTEOSA-N 1 0 332.806 4.450 20 30 EIEDRO CC(C)(C#N)c1ccc(C(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)cc1 ZINC000377091270 1023369643 /nfs/dbraw/zinc/36/96/43/1023369643.db2.gz MDWXTSIJBNGIBQ-UHFFFAOYSA-N 1 0 345.446 4.218 20 30 EIEDRO CC(C)(C)N1CC[C@@H]([NH2+]CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549476622 1023403085 /nfs/dbraw/zinc/40/30/85/1023403085.db2.gz FYXWLVXFMPWASO-SJORKVTESA-N 1 0 349.881 4.286 20 30 EIEDRO COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1C#N ZINC000549173590 1023415139 /nfs/dbraw/zinc/41/51/39/1023415139.db2.gz SMLFOTPQQJIQPD-INIZCTEOSA-N 1 0 338.373 4.121 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000549172495 1023418311 /nfs/dbraw/zinc/41/83/11/1023418311.db2.gz GIPPSOIYVUHRBP-AWEZNQCLSA-N 1 0 344.336 4.159 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)cc1 ZINC000178374269 1023420106 /nfs/dbraw/zinc/42/01/06/1023420106.db2.gz HXUKEKABARRZDV-UHFFFAOYSA-N 1 0 337.810 4.080 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@H]2CCCc3cccnc32)cc(OC)c1O ZINC000377248752 1023432625 /nfs/dbraw/zinc/43/26/25/1023432625.db2.gz HFTDHXKCOMEZNB-SFHVURJKSA-N 1 0 338.451 4.034 20 30 EIEDRO C=CCC[C@@H](NC(=O)NCc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000417909476 1023449573 /nfs/dbraw/zinc/44/95/73/1023449573.db2.gz IBPDEUBHDGAWOW-OXJNMPFZSA-N 1 0 337.467 4.213 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000276419115 1023477555 /nfs/dbraw/zinc/47/75/55/1023477555.db2.gz NOXFMTFZDSQNFC-UHFFFAOYSA-N 1 0 343.515 4.487 20 30 EIEDRO COc1ccccc1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500085502 1023493282 /nfs/dbraw/zinc/49/32/82/1023493282.db2.gz AHNPWGNQIIQZSJ-UHFFFAOYSA-N 1 0 334.463 4.231 20 30 EIEDRO Cc1ccc(-c2ccccc2C[NH2+]C2CCN(CC#N)CC2)c(C)c1 ZINC000892910201 1023494479 /nfs/dbraw/zinc/49/44/79/1023494479.db2.gz PGHFGCIFZGFVAQ-UHFFFAOYSA-N 1 0 333.479 4.048 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)Cc1cccs1 ZINC000644218310 1023525680 /nfs/dbraw/zinc/52/56/80/1023525680.db2.gz QVEYVUCCUYAQSE-UHFFFAOYSA-N 1 0 334.872 4.418 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000418129987 1023547098 /nfs/dbraw/zinc/54/70/98/1023547098.db2.gz TZKITSQNIMTCPT-LJQANCHMSA-N 1 0 330.497 4.087 20 30 EIEDRO C=CCN(CCc1ccccc1)Cc1noc(-c2ccccc2C)n1 ZINC000472771850 1023548313 /nfs/dbraw/zinc/54/83/13/1023548313.db2.gz NKSBSKFQJNGQEO-UHFFFAOYSA-N 1 0 333.435 4.276 20 30 EIEDRO COc1cccc(C2(F)CC[NH+](Cc3ccc(CC#N)cc3)CC2)c1 ZINC000500162638 1023551819 /nfs/dbraw/zinc/55/18/19/1023551819.db2.gz HCTROVCNNFTSCI-UHFFFAOYSA-N 1 0 338.426 4.222 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000418138345 1023555209 /nfs/dbraw/zinc/55/52/09/1023555209.db2.gz CSIDPNDCXLTLIG-LJQANCHMSA-N 1 0 346.459 4.244 20 30 EIEDRO C[C@@H]1CCc2nc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)sc2C1 ZINC000418140718 1023561294 /nfs/dbraw/zinc/56/12/94/1023561294.db2.gz FPJGWEUGXIJZJW-CXAGYDPISA-N 1 0 337.492 4.307 20 30 EIEDRO COc1cc(C)c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000418145792 1023564762 /nfs/dbraw/zinc/56/47/62/1023564762.db2.gz OAANRVDGBIEXKG-IBGZPJMESA-N 1 0 336.435 4.051 20 30 EIEDRO CC(C)(C)c1ncc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418150518 1023567188 /nfs/dbraw/zinc/56/71/88/1023567188.db2.gz WAWXUVZMAOSWPG-QGZVFWFLSA-N 1 0 325.481 4.479 20 30 EIEDRO CCC[C@@H](C)[N@@H+]1Cc2ccc(N=Cc3ccc(O)c(O)c3O)cc2C1 ZINC000255361913 1023597996 /nfs/dbraw/zinc/59/79/96/1023597996.db2.gz PYROESKVSWXKAD-CYBMUJFWSA-N 1 0 340.423 4.058 20 30 EIEDRO CSc1ccc([C@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC000500239943 1023613624 /nfs/dbraw/zinc/61/36/24/1023613624.db2.gz YSKCEAOBHNXVQI-HNNXBMFYSA-N 1 0 326.465 4.400 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(O)cc(Cl)c2)c1 ZINC000892973129 1023620059 /nfs/dbraw/zinc/62/00/59/1023620059.db2.gz NLLOQISLWTWDAZ-KRWDZBQOSA-N 1 0 330.815 4.016 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc(C(F)(F)F)ccc1CC#N ZINC001167752343 1023625104 /nfs/dbraw/zinc/62/51/04/1023625104.db2.gz FIBIYMLCTJAVJW-AWEZNQCLSA-N 1 0 339.405 4.448 20 30 EIEDRO CC1(O)CCC([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000892988349 1023635762 /nfs/dbraw/zinc/63/57/62/1023635762.db2.gz FUXGMGOUMCPSMH-UHFFFAOYSA-N 1 0 326.465 4.070 20 30 EIEDRO CC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000759842154 1023703797 /nfs/dbraw/zinc/70/37/97/1023703797.db2.gz CHQTVEQYZLCLEL-DJJJIMSYSA-N 1 0 346.833 4.467 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415579867 1023704440 /nfs/dbraw/zinc/70/44/40/1023704440.db2.gz KWYWJBSJDAGIEK-SFHVURJKSA-N 1 0 329.488 4.178 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000415580566 1023705490 /nfs/dbraw/zinc/70/54/90/1023705490.db2.gz LZPXJMIXGQNQNR-OAQYLSRUSA-N 1 0 341.499 4.146 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415586117 1023708310 /nfs/dbraw/zinc/70/83/10/1023708310.db2.gz VISOOSVIFIQLCU-NVXWUHKLSA-N 1 0 329.488 4.130 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC1([NH3+])CCCCC1 ZINC000415584787 1023709203 /nfs/dbraw/zinc/70/92/03/1023709203.db2.gz TYDAMIILMBXWQU-UHFFFAOYSA-N 1 0 329.488 4.322 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759845746 1023710487 /nfs/dbraw/zinc/71/04/87/1023710487.db2.gz SXPSANJABHMJLJ-LJQANCHMSA-N 1 0 346.833 4.295 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000236696761 1023731878 /nfs/dbraw/zinc/73/18/78/1023731878.db2.gz WCDNGORLLBLCFF-UHFFFAOYSA-N 1 0 329.390 4.392 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000177096303 1023743881 /nfs/dbraw/zinc/74/38/81/1023743881.db2.gz LKCBHBOAQRPDPH-UHFFFAOYSA-N 1 0 333.204 4.058 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC2CCC(F)(F)CC2)cc1OC ZINC000500425888 1023821382 /nfs/dbraw/zinc/82/13/82/1023821382.db2.gz HEMNTOUEIJCBGS-UHFFFAOYSA-N 1 0 325.399 4.175 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)c1 ZINC000510475731 1023827152 /nfs/dbraw/zinc/82/71/52/1023827152.db2.gz VVMLOEMUHJCOCK-KNQAVFIVSA-N 1 0 332.447 4.205 20 30 EIEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)c1cccs1 ZINC000301170850 1023874542 /nfs/dbraw/zinc/87/45/42/1023874542.db2.gz JUAQQYGVVIEVAN-AWEZNQCLSA-N 1 0 339.386 4.353 20 30 EIEDRO C=CCC[C@H](NC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)c1ccccc1 ZINC000891697861 1023885990 /nfs/dbraw/zinc/88/59/90/1023885990.db2.gz PROFUAWJYXKVJB-GHTZIAJQSA-N 1 0 343.515 4.100 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000581973113 1023961595 /nfs/dbraw/zinc/96/15/95/1023961595.db2.gz YAOYOGDAMKNPHI-SJCJKPOMSA-N 1 0 343.298 4.130 20 30 EIEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3(CC#N)CC3)s2)cc1 ZINC000430762938 1024017045 /nfs/dbraw/zinc/01/70/45/1024017045.db2.gz OVMYRKCLWWLCTD-CYBMUJFWSA-N 1 0 341.480 4.472 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000651682085 1024191627 /nfs/dbraw/zinc/19/16/27/1024191627.db2.gz LOAMRADFTMXKRR-VQIMIIECSA-N 1 0 338.451 4.044 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3ccnn3C)C2)cc1Cl ZINC000510675858 1024215943 /nfs/dbraw/zinc/21/59/43/1024215943.db2.gz SYDUJUQJAVGPBX-INIZCTEOSA-N 1 0 345.874 4.018 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]3CCCF)C2)c(F)c1 ZINC000510698213 1024249558 /nfs/dbraw/zinc/24/95/58/1024249558.db2.gz FNMJIARVYMFCIH-AOIWGVFYSA-N 1 0 347.453 4.174 20 30 EIEDRO CCC(CC)C[N@H+](CCC#N)CC[C@H]1Sc2ccccc2NC1=O ZINC000595348756 1024250540 /nfs/dbraw/zinc/25/05/40/1024250540.db2.gz UZDZRLWKRCZWOJ-GOSISDBHSA-N 1 0 345.512 4.141 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)CCc2ccco2)ccc1OC ZINC000089631734 1024306143 /nfs/dbraw/zinc/30/61/43/1024306143.db2.gz IEIFJVCZZUHJLA-NVXWUHKLSA-N 1 0 342.439 4.080 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cccc(O)c2)c1 ZINC000066905823 1024386907 /nfs/dbraw/zinc/38/69/07/1024386907.db2.gz CXZKFXXQBRIILL-UHFFFAOYSA-N 1 0 344.414 4.133 20 30 EIEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCCOc1cccc(C#N)c1)CCC2 ZINC000127390298 1024395227 /nfs/dbraw/zinc/39/52/27/1024395227.db2.gz BBYVCORBFDCYAX-SFHVURJKSA-N 1 0 341.480 4.102 20 30 EIEDRO C=CCC1([NH2+]CC(=O)N2CCc3sccc3[C@H]2CC)CCCC1 ZINC000661851281 1024600221 /nfs/dbraw/zinc/60/02/21/1024600221.db2.gz PHXXGIBTYAFSOZ-MRXNPFEDSA-N 1 0 332.513 4.062 20 30 EIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341757423 1024600691 /nfs/dbraw/zinc/60/06/91/1024600691.db2.gz JCHGAGGBDAOWFH-QKKBWIMNSA-N 1 0 333.435 4.245 20 30 EIEDRO C=CCC1([NH2+]CCC(=O)Nc2cc(Cl)ccc2OC)CCCC1 ZINC000661848681 1024601052 /nfs/dbraw/zinc/60/10/52/1024601052.db2.gz NKFLXQZOAQOTAC-UHFFFAOYSA-N 1 0 336.863 4.156 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2ccnc2)cc1 ZINC000341758447 1024616593 /nfs/dbraw/zinc/61/65/93/1024616593.db2.gz PNEYTHWXYKGMEI-ZHRRBRCNSA-N 1 0 342.446 4.472 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000341759030 1024617308 /nfs/dbraw/zinc/61/73/08/1024617308.db2.gz SXRPBYDNELEVPO-QHCPKHFHSA-N 1 0 345.490 4.190 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000341761231 1024628958 /nfs/dbraw/zinc/62/89/58/1024628958.db2.gz OTDZEZFQHABGQJ-YWZLYKJASA-N 1 0 348.446 4.448 20 30 EIEDRO N#Cc1cc(Cl)ccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000511908313 1024742364 /nfs/dbraw/zinc/74/23/64/1024742364.db2.gz OFDOUZHFHDKXMM-IBGZPJMESA-N 1 0 325.843 4.461 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000662079632 1024848989 /nfs/dbraw/zinc/84/89/89/1024848989.db2.gz LHPZYKAJOBZTKN-BMFZPTHFSA-N 1 0 327.403 4.428 20 30 EIEDRO CC[C@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000330250108 1024879481 /nfs/dbraw/zinc/87/94/81/1024879481.db2.gz HAEZIRWIIVBPBQ-OLZOCXBDSA-N 1 0 331.485 4.207 20 30 EIEDRO C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 ZINC000477916075 1024887806 /nfs/dbraw/zinc/88/78/06/1024887806.db2.gz QHYQVSVITDUAJA-ZDUSSCGKSA-N 1 0 349.356 4.092 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184649386 1024938718 /nfs/dbraw/zinc/93/87/18/1024938718.db2.gz BSLFUWQNBMFPAT-CABCVRRESA-N 1 0 345.512 4.045 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000618492288 1024949652 /nfs/dbraw/zinc/94/96/52/1024949652.db2.gz NQOOACWWDHRNMN-ZDUSSCGKSA-N 1 0 336.266 4.448 20 30 EIEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(C2CCCCC2)cc1 ZINC000610813641 1025021086 /nfs/dbraw/zinc/02/10/86/1025021086.db2.gz NJMILHOKWFFTPL-KRWDZBQOSA-N 1 0 325.500 4.373 20 30 EIEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000610813625 1025021194 /nfs/dbraw/zinc/02/11/94/1025021194.db2.gz MZUANCBQPWLAGW-AWEZNQCLSA-N 1 0 343.471 4.193 20 30 EIEDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000568144756 1025049671 /nfs/dbraw/zinc/04/96/71/1025049671.db2.gz ZAUCCCIZRQYOBT-UXHICEINSA-N 1 0 339.870 4.091 20 30 EIEDRO C=C(C)CN(C)Cc1csc(-c2ccc(OCC)c(OC)c2)n1 ZINC000181263606 1025136829 /nfs/dbraw/zinc/13/68/29/1025136829.db2.gz KVVWDRDYELRMHH-UHFFFAOYSA-N 1 0 332.469 4.225 20 30 EIEDRO C=CCc1cc(C[NH2+]CCCCc2ccccc2)cc(OC)c1O ZINC000603509699 1025282284 /nfs/dbraw/zinc/28/22/84/1025282284.db2.gz GRMNUMKXTCPQDH-UHFFFAOYSA-N 1 0 325.452 4.242 20 30 EIEDRO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cccc(C#N)c1 ZINC000181916567 1025356701 /nfs/dbraw/zinc/35/67/01/1025356701.db2.gz LLOTWYBVNLZIAU-AWEZNQCLSA-N 1 0 335.382 4.246 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1O ZINC000277238191 1025369168 /nfs/dbraw/zinc/36/91/68/1025369168.db2.gz NZQZALSMXSFJFK-LPHOPBHVSA-N 1 0 338.451 4.357 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1O ZINC000277238199 1025370733 /nfs/dbraw/zinc/37/07/33/1025370733.db2.gz NZQZALSMXSFJFK-VQIMIIECSA-N 1 0 338.451 4.357 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000105491817 1025387142 /nfs/dbraw/zinc/38/71/42/1025387142.db2.gz PLSZUQDACXFGSC-KRWDZBQOSA-N 1 0 327.225 4.098 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000510997100 1025390941 /nfs/dbraw/zinc/39/09/41/1025390941.db2.gz LPNSIZUZAZHYOK-RXQRSOPUSA-N 1 0 345.462 4.151 20 30 EIEDRO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)c3cccc(C#N)c3)cc2)n1 ZINC000538397282 1025391610 /nfs/dbraw/zinc/39/16/10/1025391610.db2.gz XCPRIRZXZWPKNA-SFHVURJKSA-N 1 0 344.462 4.254 20 30 EIEDRO CC1(C)[C@H]([NH2+]Cc2cc(C#N)cs2)C[C@@H]1OCc1ccccc1 ZINC000472044825 1025494013 /nfs/dbraw/zinc/49/40/13/1025494013.db2.gz VZGILTPIQNKQNQ-MSOLQXFVSA-N 1 0 326.465 4.093 20 30 EIEDRO Cc1ccc(C[C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000119614531 1025584517 /nfs/dbraw/zinc/58/45/17/1025584517.db2.gz UJKMQKCEYYBIBX-HNNXBMFYSA-N 1 0 328.481 4.460 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C)cc1 ZINC000519198441 1025593534 /nfs/dbraw/zinc/59/35/34/1025593534.db2.gz GVILKLQECJDWLJ-KRWDZBQOSA-N 1 0 338.451 4.067 20 30 EIEDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000569168299 1025603245 /nfs/dbraw/zinc/60/32/45/1025603245.db2.gz PEHOXJRJBCWZTR-JOCHJYFZSA-N 1 0 334.463 4.210 20 30 EIEDRO CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccc(C)cc1 ZINC000611565454 1025613024 /nfs/dbraw/zinc/61/30/24/1025613024.db2.gz GKEPVFKHCAQPJA-UHFFFAOYSA-N 1 0 349.478 4.154 20 30 EIEDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)c1ccccc1 ZINC000585754627 1025823665 /nfs/dbraw/zinc/82/36/65/1025823665.db2.gz TUYKMDJVIIHZHG-UHFFFAOYSA-N 1 0 341.842 4.017 20 30 EIEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cnc3ccc(C#N)cn13)CC2 ZINC000585767399 1025829488 /nfs/dbraw/zinc/82/94/88/1025829488.db2.gz LSVQOCYJWSJTOO-FQEVSTJZSA-N 1 0 330.435 4.106 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(F)c(C#N)c1 ZINC000119712972 1025889284 /nfs/dbraw/zinc/88/92/84/1025889284.db2.gz MXARVRYTBXUYRF-UHFFFAOYSA-N 1 0 348.425 4.152 20 30 EIEDRO C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000549626000 1026013498 /nfs/dbraw/zinc/01/34/98/1026013498.db2.gz PYJLOSOXKMYUGW-YJYMSZOUSA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000894480332 1026040344 /nfs/dbraw/zinc/04/03/44/1026040344.db2.gz GMLZUHSHILQCKO-NHYWBVRUSA-N 1 0 329.271 4.335 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)ccc1C#N ZINC000582092274 1026133622 /nfs/dbraw/zinc/13/36/22/1026133622.db2.gz IZORXQLTWSQXSJ-CYBMUJFWSA-N 1 0 342.464 4.148 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2cccc(Br)c2C#N)cc1 ZINC000709708378 1026180244 /nfs/dbraw/zinc/18/02/44/1026180244.db2.gz JXMDYCKRDVPXLO-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000684767927 1026226586 /nfs/dbraw/zinc/22/65/86/1026226586.db2.gz VAEWXXLOPDXTLV-XHDPSFHLSA-N 1 0 331.790 4.012 20 30 EIEDRO COC(=O)c1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1C ZINC000894607819 1026245988 /nfs/dbraw/zinc/24/59/88/1026245988.db2.gz YJTBYUPOEQYHPC-HXUWFJFHSA-N 1 0 336.435 4.306 20 30 EIEDRO COc1ccc2ccc(O)c(C[N@H+](CCC#N)CC(C)(C)C)c2c1 ZINC000729468651 1026394912 /nfs/dbraw/zinc/39/49/12/1026394912.db2.gz WRGOHHFUGLMBFI-UHFFFAOYSA-N 1 0 326.440 4.316 20 30 EIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)c(-c2ccccc2)n1 ZINC000344771707 1026585896 /nfs/dbraw/zinc/58/58/96/1026585896.db2.gz JIQBEHDWTGOCGT-QGZVFWFLSA-N 1 0 344.409 4.131 20 30 EIEDRO N#CCCC1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000582418359 1026603599 /nfs/dbraw/zinc/60/35/99/1026603599.db2.gz UIBDNHFHDQLGBK-UHFFFAOYSA-N 1 0 335.451 4.184 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000563366097 1026692467 /nfs/dbraw/zinc/69/24/67/1026692467.db2.gz IKKWHOXSZCDYCC-OAHLLOKOSA-N 1 0 333.501 4.140 20 30 EIEDRO CCCCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000507232236 1026715947 /nfs/dbraw/zinc/71/59/47/1026715947.db2.gz RYXWMRNGPLHALR-UHFFFAOYSA-N 1 0 338.451 4.378 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000277655467 1026726982 /nfs/dbraw/zinc/72/69/82/1026726982.db2.gz IORDIUHESASCAA-MOPGFXCFSA-N 1 0 332.463 4.434 20 30 EIEDRO CC(C)(C)c1cc(Nc2ncc(C#N)cc2Br)cc[nH+]1 ZINC001213160639 1026774155 /nfs/dbraw/zinc/77/41/55/1026774155.db2.gz BYZGRCHKRZYBSS-UHFFFAOYSA-N 1 0 331.217 4.152 20 30 EIEDRO C[C@@H](CCc1cccn1C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507605193 1026847066 /nfs/dbraw/zinc/84/70/66/1026847066.db2.gz MSJNLVHAUODQBZ-NLMOZGTASA-N 1 0 335.495 4.340 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCOc2cccc(F)c2)CC1 ZINC000507651007 1026862138 /nfs/dbraw/zinc/86/21/38/1026862138.db2.gz CPPIHCPSAPITCT-UHFFFAOYSA-N 1 0 338.426 4.198 20 30 EIEDRO CN(CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCCC1 ZINC000507658234 1026868023 /nfs/dbraw/zinc/86/80/23/1026868023.db2.gz GJNCAPBSNBDKMF-UHFFFAOYSA-N 1 0 339.527 4.245 20 30 EIEDRO CC1(C#N)CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000507710924 1026884541 /nfs/dbraw/zinc/88/45/41/1026884541.db2.gz WBJLUTGZFPSSIE-UHFFFAOYSA-N 1 0 345.446 4.263 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000684958998 1026895902 /nfs/dbraw/zinc/89/59/02/1026895902.db2.gz CNDOUXLIKCXZJL-QGZVFWFLSA-N 1 0 330.353 4.119 20 30 EIEDRO CC1(C)CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000342725733 1026898897 /nfs/dbraw/zinc/89/88/97/1026898897.db2.gz IIJSFJZPCXOUFQ-IBGZPJMESA-N 1 0 330.435 4.108 20 30 EIEDRO CCCC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(OC)cc1 ZINC000342737401 1026920299 /nfs/dbraw/zinc/92/02/99/1026920299.db2.gz ZQAQMYMDAFWQRA-FQEVSTJZSA-N 1 0 348.450 4.236 20 30 EIEDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(C#N)cc1Br ZINC000135534915 1026984428 /nfs/dbraw/zinc/98/44/28/1026984428.db2.gz UXQGPMQYYYUDPO-CYBMUJFWSA-N 1 0 338.293 4.243 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC000519749036 1026976150 /nfs/dbraw/zinc/97/61/50/1026976150.db2.gz CWQVTQBTRHTBMV-FPOVZHCZSA-N 1 0 347.462 4.155 20 30 EIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440623476 1026986012 /nfs/dbraw/zinc/98/60/12/1026986012.db2.gz LBTHPRINZGXJDE-IBGZPJMESA-N 1 0 338.451 4.452 20 30 EIEDRO CCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCCCC1 ZINC000075645365 1027055460 /nfs/dbraw/zinc/05/54/60/1027055460.db2.gz BKVJTCULZGPSCB-UHFFFAOYSA-N 1 0 338.455 4.401 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000342830581 1027203603 /nfs/dbraw/zinc/20/36/03/1027203603.db2.gz XEHRNQGHMNZBGR-INIZCTEOSA-N 1 0 345.446 4.025 20 30 EIEDRO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000441051049 1027220036 /nfs/dbraw/zinc/22/00/36/1027220036.db2.gz PVVBKCKQIQUJGZ-HRAATJIYSA-N 1 0 334.463 4.312 20 30 EIEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)c1ccsc1 ZINC000520243534 1027335188 /nfs/dbraw/zinc/33/51/88/1027335188.db2.gz QYBUHQFOUKAZQU-HNNXBMFYSA-N 1 0 339.386 4.353 20 30 EIEDRO C=CCC1([NH2+]Cc2cnc(-c3ccccc3F)s2)CCOCC1 ZINC000657635122 1027344403 /nfs/dbraw/zinc/34/44/03/1027344403.db2.gz WGBZYXYLYVFOQY-UHFFFAOYSA-N 1 0 332.444 4.164 20 30 EIEDRO C=CCN1CCC([NH2+]Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000520228024 1027349951 /nfs/dbraw/zinc/34/99/51/1027349951.db2.gz OMAXQTLHIRZKFE-UHFFFAOYSA-N 1 0 342.527 4.386 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000441360493 1027475932 /nfs/dbraw/zinc/47/59/32/1027475932.db2.gz SVQKOUNAJYKVHZ-UHFFFAOYSA-N 1 0 335.451 4.080 20 30 EIEDRO N#Cc1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000523087585 1027486259 /nfs/dbraw/zinc/48/62/59/1027486259.db2.gz OGBNTROQUQHPRA-UHFFFAOYSA-N 1 0 337.389 4.032 20 30 EIEDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cc(C(F)(F)F)ccc1CC#N ZINC001167626760 1027487618 /nfs/dbraw/zinc/48/76/18/1027487618.db2.gz SJUKVFPSDGGHGL-UHFFFAOYSA-N 1 0 339.405 4.256 20 30 EIEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)sc1Br ZINC000441368826 1027493256 /nfs/dbraw/zinc/49/32/56/1027493256.db2.gz BQLLCSJDIIJKQE-UHFFFAOYSA-N 1 0 327.291 4.239 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000441355978 1027512248 /nfs/dbraw/zinc/51/22/48/1027512248.db2.gz KNQIZBMLCBEIIN-UHFFFAOYSA-N 1 0 326.362 4.047 20 30 EIEDRO CC1CC[NH+](CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000474810406 1027518566 /nfs/dbraw/zinc/51/85/66/1027518566.db2.gz LMCVTOQZNOKQES-UHFFFAOYSA-N 1 0 349.434 4.021 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000441385370 1027523192 /nfs/dbraw/zinc/52/31/92/1027523192.db2.gz VHFWCZCGLYHZJN-UHFFFAOYSA-N 1 0 326.362 4.047 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CCSCC1 ZINC000474820271 1027531795 /nfs/dbraw/zinc/53/17/95/1027531795.db2.gz FSVJSSVOYYIPCO-MNNVXMFVSA-N 1 0 344.524 4.370 20 30 EIEDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)cc1OC ZINC000329149764 1027611788 /nfs/dbraw/zinc/61/17/88/1027611788.db2.gz QXHSCDOOVBIOTM-LSDHHAIUSA-N 1 0 346.471 4.192 20 30 EIEDRO O=C(Nc1nc(C2CCOCC2)cs1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329172260 1027622712 /nfs/dbraw/zinc/62/27/12/1027622712.db2.gz AFBUBSUNXDCFGM-MRXNPFEDSA-N 1 0 349.500 4.032 20 30 EIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccccc2Cl)c1 ZINC000303691376 1027630004 /nfs/dbraw/zinc/63/00/04/1027630004.db2.gz ANJPIOJFUZDCAX-UHFFFAOYSA-N 1 0 347.846 4.064 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@](C)(OC)CC2)ccc1OC ZINC000475565454 1027646845 /nfs/dbraw/zinc/64/68/45/1027646845.db2.gz PSYDQOAJIGAJDQ-FQEVSTJZSA-N 1 0 333.472 4.041 20 30 EIEDRO Cc1ccc([C@H](CNC(=O)C[C@@H]2CCCC[C@H]2O)[NH+]2CCCC2)cc1 ZINC000329224286 1027658939 /nfs/dbraw/zinc/65/89/39/1027658939.db2.gz ZKOVWUYYIOBLSU-SLFFLAALSA-N 1 0 344.499 4.030 20 30 EIEDRO CCC[C@@H](C)CCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001168073241 1027665811 /nfs/dbraw/zinc/66/58/11/1027665811.db2.gz IZCFXSTVMWPJNE-QGZVFWFLSA-N 1 0 341.499 4.425 20 30 EIEDRO CCOc1cc2c(cc1NC(=O)CC[C@H]1CCCC[N@@H+]1C)O[C@@H](C)C2 ZINC000329252425 1027669609 /nfs/dbraw/zinc/66/96/09/1027669609.db2.gz VLMOPRPGQSWOLY-GOEBONIOSA-N 1 0 346.471 4.261 20 30 EIEDRO NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)[C@H]2CCCCS2)c1 ZINC000329258954 1027675254 /nfs/dbraw/zinc/67/52/54/1027675254.db2.gz AILBLVLZBRSSSL-HZPDHXFCSA-N 1 0 347.484 4.060 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(=O)NC(C)C)C2)C12CCCC2 ZINC000329297917 1027708005 /nfs/dbraw/zinc/70/80/05/1027708005.db2.gz UBSDZLPNSNBZPY-XWTMOSNGSA-N 1 0 336.520 4.238 20 30 EIEDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(N[C@@H]2CCCOCC2)c1 ZINC000329349896 1027738334 /nfs/dbraw/zinc/73/83/34/1027738334.db2.gz DWYYNFBCNANTKZ-QGZVFWFLSA-N 1 0 345.487 4.132 20 30 EIEDRO [NH2+]=C(NCCCOCC1CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000304470268 1027749027 /nfs/dbraw/zinc/74/90/27/1027749027.db2.gz DKHKFGGFNRUHDF-UHFFFAOYSA-N 1 0 339.439 4.022 20 30 EIEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000328640038 1027781754 /nfs/dbraw/zinc/78/17/54/1027781754.db2.gz CILBSBNXSISOHI-SZMVWBNQSA-N 1 0 330.472 4.271 20 30 EIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]Cc2ncccc2F)cc1 ZINC000305178477 1027782558 /nfs/dbraw/zinc/78/25/58/1027782558.db2.gz BGSUAFPWYNWRRA-UHFFFAOYSA-N 1 0 348.425 4.287 20 30 EIEDRO N#Cc1c(Br)cccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000579300460 1027801106 /nfs/dbraw/zinc/80/11/06/1027801106.db2.gz HXODSLWYJFRPMI-UHFFFAOYSA-N 1 0 348.288 4.140 20 30 EIEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000328742771 1027801230 /nfs/dbraw/zinc/80/12/30/1027801230.db2.gz JRNCTZMPYJCSKI-HNNXBMFYSA-N 1 0 333.476 4.005 20 30 EIEDRO CN(CCC#N)c1ccc(CNc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000121669719 1027801623 /nfs/dbraw/zinc/80/16/23/1027801623.db2.gz RDRIKHGUXSGILY-UHFFFAOYSA-N 1 0 348.494 4.244 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)C1 ZINC000328737784 1027802220 /nfs/dbraw/zinc/80/22/20/1027802220.db2.gz HEEHIUBYMIXZKW-DWQUBVKVSA-N 1 0 343.858 4.429 20 30 EIEDRO CC1(C)CC(NC(=O)N[C@@H](c2cccs2)C2CC2)CC(C)(C)[NH2+]1 ZINC000328764527 1027806606 /nfs/dbraw/zinc/80/66/06/1027806606.db2.gz GGKGCEUTNKHISJ-OAHLLOKOSA-N 1 0 335.517 4.012 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)cc1OC ZINC000657714985 1027830218 /nfs/dbraw/zinc/83/02/18/1027830218.db2.gz HEMCJIJSTABHHD-UHFFFAOYSA-N 1 0 337.410 4.318 20 30 EIEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1-c1ccccc1C#N ZINC000573136581 1027842152 /nfs/dbraw/zinc/84/21/52/1027842152.db2.gz FUCWBCZZVUSHSE-KRWDZBQOSA-N 1 0 349.478 4.075 20 30 EIEDRO C=CCCC(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000523256986 1027888544 /nfs/dbraw/zinc/88/85/44/1027888544.db2.gz DFSKCLRQSJJEJX-MRXNPFEDSA-N 1 0 342.405 4.171 20 30 EIEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)CCN1CCCCC(C)(C)C#N ZINC000444642060 1027937471 /nfs/dbraw/zinc/93/74/71/1027937471.db2.gz QKQLVVPAVHOKDX-IBGZPJMESA-N 1 0 346.563 4.433 20 30 EIEDRO C[N@H+](CC[C@H]1CCCO1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444688332 1027973692 /nfs/dbraw/zinc/97/36/92/1027973692.db2.gz JDUNUOPVBHEXCZ-JOCHJYFZSA-N 1 0 348.490 4.387 20 30 EIEDRO C=CCCC1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000475026091 1027998069 /nfs/dbraw/zinc/99/80/69/1027998069.db2.gz WKYSBEYWQZWYRG-UHFFFAOYSA-N 1 0 326.484 4.400 20 30 EIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000522649421 1028077245 /nfs/dbraw/zinc/07/72/45/1028077245.db2.gz IPMHOKWRQLMHDO-QGZVFWFLSA-N 1 0 335.451 4.276 20 30 EIEDRO C[C@H]([NH2+]C1(CNC(=O)C2CCC(=O)CC2)CCCC1)c1ccccc1 ZINC000329902701 1028151633 /nfs/dbraw/zinc/15/16/33/1028151633.db2.gz PNXINKFHOWXKDJ-INIZCTEOSA-N 1 0 342.483 4.366 20 30 EIEDRO CCc1ccc2c(c1)[C@H](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(=O)N2 ZINC000329915094 1028155927 /nfs/dbraw/zinc/15/59/27/1028155927.db2.gz YEHHCLQSPMPASY-LZWOXQAQSA-N 1 0 343.471 4.154 20 30 EIEDRO N#CC[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000330007559 1028181394 /nfs/dbraw/zinc/18/13/94/1028181394.db2.gz DQMNZYFLJOZUMD-QZTJIDSGSA-N 1 0 325.456 4.047 20 30 EIEDRO CC(C)(C)[NH+]1CCC(NC(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000330030898 1028187540 /nfs/dbraw/zinc/18/75/40/1028187540.db2.gz SGLCCPYSPVHOSE-UHFFFAOYSA-N 1 0 349.519 4.131 20 30 EIEDRO C=CCCCCC[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000523557790 1028213870 /nfs/dbraw/zinc/21/38/70/1028213870.db2.gz AQAWRVMPHHPNDU-KRWDZBQOSA-N 1 0 334.529 4.262 20 30 EIEDRO COc1cc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)ccc1C#N ZINC000440621600 1028234585 /nfs/dbraw/zinc/23/45/85/1028234585.db2.gz YTUURKDIOUQBMW-MRXNPFEDSA-N 1 0 334.341 4.003 20 30 EIEDRO C=C(C)[C@H](CC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2)OCC ZINC000535966505 1028283156 /nfs/dbraw/zinc/28/31/56/1028283156.db2.gz DWIGJOULWVHQBY-FQEVSTJZSA-N 1 0 344.499 4.358 20 30 EIEDRO C=CCOc1c(Br)cc(C[N@H+](C)CC=C)cc1OCC ZINC000428389487 1028299994 /nfs/dbraw/zinc/29/99/94/1028299994.db2.gz ZUKOODUHAKAPBZ-UHFFFAOYSA-N 1 0 340.261 4.030 20 30 EIEDRO COc1cc(C[NH2+]CC2(c3ccccc3Cl)CC2)ccc1C#N ZINC000440647739 1028305781 /nfs/dbraw/zinc/30/57/81/1028305781.db2.gz OQXIVIUGSJXTPH-UHFFFAOYSA-N 1 0 326.827 4.042 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000155145788 1028358819 /nfs/dbraw/zinc/35/88/19/1028358819.db2.gz AHDQXSYVDIRTKL-IIBYNOLFSA-N 1 0 336.435 4.323 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1nccc(C#N)c1Cl)c1ccccc1 ZINC000324181298 1028472138 /nfs/dbraw/zinc/47/21/38/1028472138.db2.gz MRCMCSDLRVWGIT-INIZCTEOSA-N 1 0 328.847 4.102 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C3(Cc4ccccc4)CCC3)CC2)cc1 ZINC000583337805 1028537213 /nfs/dbraw/zinc/53/72/13/1028537213.db2.gz KQNALRVCOASJMC-UHFFFAOYSA-N 1 0 345.490 4.282 20 30 EIEDRO CC(C)CC1(C)CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000583404521 1028675111 /nfs/dbraw/zinc/67/51/11/1028675111.db2.gz YOQQAEPPQLNCTB-UHFFFAOYSA-N 1 0 338.455 4.256 20 30 EIEDRO CCc1ccc(C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C2CC2)cc1 ZINC000444034840 1028753604 /nfs/dbraw/zinc/75/36/04/1028753604.db2.gz ITFARWMQFHWEEJ-UHFFFAOYSA-N 1 0 347.462 4.114 20 30 EIEDRO Cc1ccc(C#N)c(NCc2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000346839522 1028787493 /nfs/dbraw/zinc/78/74/93/1028787493.db2.gz QGCAMUWTBHFYGF-UHFFFAOYSA-N 1 0 334.467 4.250 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccccc2OC(F)F)ccc1C#N ZINC000281786212 1028871113 /nfs/dbraw/zinc/87/11/13/1028871113.db2.gz UDQLYGPMZKWAKK-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO C=CCC[C@@H](NC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1)c1ccccc1 ZINC000246165241 1029000478 /nfs/dbraw/zinc/00/04/78/1029000478.db2.gz GUNCACLFVRUBKI-UYAOXDASSA-N 1 0 343.515 4.067 20 30 EIEDRO C=C1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000444144031 1029003640 /nfs/dbraw/zinc/00/36/40/1029003640.db2.gz RRNIBQVGSFTNJK-UHFFFAOYSA-N 1 0 336.435 4.460 20 30 EIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000278365508 1029011713 /nfs/dbraw/zinc/01/17/13/1029011713.db2.gz BRTZDWDUIJSMCY-LJQANCHMSA-N 1 0 333.391 4.123 20 30 EIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cccc(C#N)n2)C1 ZINC000522903038 1029083191 /nfs/dbraw/zinc/08/31/91/1029083191.db2.gz ZQGOXBZCKKKBBE-IAGOWNOFSA-N 1 0 334.467 4.043 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(Br)cs1)CC2 ZINC000583722788 1029084195 /nfs/dbraw/zinc/08/41/95/1029084195.db2.gz NGYMFTATMRPBTN-OAHLLOKOSA-N 1 0 333.254 4.159 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1Cl ZINC000583804240 1029201082 /nfs/dbraw/zinc/20/10/82/1029201082.db2.gz VYHYLLYMCVUNRW-CQSZACIVSA-N 1 0 335.879 4.285 20 30 EIEDRO C=CCCCN(C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000523001100 1029269995 /nfs/dbraw/zinc/26/99/95/1029269995.db2.gz NCWBYPWPBRMMSR-SFHVURJKSA-N 1 0 343.515 4.258 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(OC)c2C)ccc1OC ZINC000657804168 1029340795 /nfs/dbraw/zinc/34/07/95/1029340795.db2.gz GKAPCWOCIRDAHT-UHFFFAOYSA-N 1 0 341.451 4.257 20 30 EIEDRO Cc1ccnc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C#N ZINC000343482347 1029341726 /nfs/dbraw/zinc/34/17/26/1029341726.db2.gz WIECOMMXSJSGHY-MRXNPFEDSA-N 1 0 334.467 4.106 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000158160681 1029351680 /nfs/dbraw/zinc/35/16/80/1029351680.db2.gz CPVXEPNUSHFZGU-SCWSEQNSSA-N 1 0 336.435 4.160 20 30 EIEDRO C[C@@H]1CC([N@@H+]2CCC[C@@H](CC#N)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168058785 1029371776 /nfs/dbraw/zinc/37/17/76/1029371776.db2.gz CFNZOZZOPUYCDT-GGPKGHCWSA-N 1 0 325.500 4.054 20 30 EIEDRO N#CCCC1CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000583932304 1029388331 /nfs/dbraw/zinc/38/83/31/1029388331.db2.gz GLQQIWHKNZEZDO-UHFFFAOYSA-N 1 0 326.362 4.100 20 30 EIEDRO C=C[C@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000536165188 1029389348 /nfs/dbraw/zinc/38/93/48/1029389348.db2.gz IFFLSOMVVZIMKW-DENIHFKCSA-N 1 0 348.490 4.300 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC2(C)CCC(OC)CC2)ccc1OC ZINC000475210896 1029443532 /nfs/dbraw/zinc/44/35/32/1029443532.db2.gz SWFRIYIWPQTLFC-UHFFFAOYSA-N 1 0 347.499 4.335 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C3(c4ccccc4)CCC3)CC2)cc1 ZINC000583985611 1029459776 /nfs/dbraw/zinc/45/97/76/1029459776.db2.gz HYSLUUQXPWQZOU-UHFFFAOYSA-N 1 0 331.463 4.196 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000343553026 1029490654 /nfs/dbraw/zinc/49/06/54/1029490654.db2.gz PEDBIUAYHDVKPC-GOSISDBHSA-N 1 0 326.827 4.258 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)ccc1OC ZINC000475288008 1029501586 /nfs/dbraw/zinc/50/15/86/1029501586.db2.gz QHJDFKPSCQRLTC-UKRRQHHQSA-N 1 0 343.389 4.423 20 30 EIEDRO CC[N@H+](CCCn1c2ccccc2[nH]c1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000540822183 1029525654 /nfs/dbraw/zinc/52/56/54/1029525654.db2.gz UIKIVAQRLRHAPD-MRXNPFEDSA-N 1 0 348.450 4.087 20 30 EIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1nc(-c2cccc(F)c2)no1 ZINC000278623321 1029615285 /nfs/dbraw/zinc/61/52/85/1029615285.db2.gz GAPJJXZBIMBFIH-CYBMUJFWSA-N 1 0 330.407 4.246 20 30 EIEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000193000819 1029656088 /nfs/dbraw/zinc/65/60/88/1029656088.db2.gz LPXYDEGWWWRWCW-HUUCEWRRSA-N 1 0 340.423 4.018 20 30 EIEDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000447076037 1029687662 /nfs/dbraw/zinc/68/76/62/1029687662.db2.gz GDTRLOBKDCLXBI-FQEVSTJZSA-N 1 0 330.472 4.150 20 30 EIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000278685952 1029689410 /nfs/dbraw/zinc/68/94/10/1029689410.db2.gz RZMXMHYLXRBNJO-WIYYLYMNSA-N 1 0 338.495 4.472 20 30 EIEDRO CC[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(C#N)cc1 ZINC000278704963 1029710324 /nfs/dbraw/zinc/71/03/24/1029710324.db2.gz LEOBYYQUTXAIRP-QGZVFWFLSA-N 1 0 348.475 4.360 20 30 EIEDRO CC[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000278735349 1029750200 /nfs/dbraw/zinc/75/02/00/1029750200.db2.gz MZKAYDCTFAHEMI-JTSKRJEESA-N 1 0 348.494 4.220 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000665667032 1029763110 /nfs/dbraw/zinc/76/31/10/1029763110.db2.gz WJEXMIHXNBVQQB-GOSISDBHSA-N 1 0 340.467 4.039 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000584439766 1029869491 /nfs/dbraw/zinc/86/94/91/1029869491.db2.gz LXFACNHISBWVQE-HXUWFJFHSA-N 1 0 335.407 4.066 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000181576008 1029900959 /nfs/dbraw/zinc/90/09/59/1029900959.db2.gz ROEHAZHKFRGEIW-COPCDDAFSA-N 1 0 333.479 4.142 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)o1 ZINC000610270671 1030041239 /nfs/dbraw/zinc/04/12/39/1030041239.db2.gz WYKOXDMUHZQJHQ-RKDXNWHRSA-N 1 0 340.267 4.150 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccsc1 ZINC000525858679 1030080049 /nfs/dbraw/zinc/08/00/49/1030080049.db2.gz OGPYIJCHSYKTOT-IGEOTXOUSA-N 1 0 327.453 4.056 20 30 EIEDRO FC1(c2ccccn2)CCN(CC#Cc2ccccc2Cl)CC1 ZINC000450932123 1030105259 /nfs/dbraw/zinc/10/52/59/1030105259.db2.gz RBKUWDYTATYARC-UHFFFAOYSA-N 1 0 328.818 4.047 20 30 EIEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCOc1ccccc1C#N ZINC001168158566 1030137173 /nfs/dbraw/zinc/13/71/73/1030137173.db2.gz NKOYAZIJCQNFGG-HNNXBMFYSA-N 1 0 328.843 4.201 20 30 EIEDRO CCC[C@@H]([NH2+][C@H](CC)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000447540273 1030143808 /nfs/dbraw/zinc/14/38/08/1030143808.db2.gz BZWJKIGMHCMCIM-QZTJIDSGSA-N 1 0 333.439 4.183 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447541716 1030145150 /nfs/dbraw/zinc/14/51/50/1030145150.db2.gz MWFPJJFWCDBJEK-FCHUYYIVSA-N 1 0 333.479 4.264 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000447544756 1030148114 /nfs/dbraw/zinc/14/81/14/1030148114.db2.gz POZDFVMLSUNXIF-JTSKRJEESA-N 1 0 333.479 4.046 20 30 EIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(CC#N)cc1)CCC2 ZINC000544067025 1030244637 /nfs/dbraw/zinc/24/46/37/1030244637.db2.gz MPRYHIBKPJCHIT-KRWDZBQOSA-N 1 0 325.481 4.281 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC[C@@H]([NH+](C)C)CC3)c2c1 ZINC000447681123 1030269332 /nfs/dbraw/zinc/26/93/32/1030269332.db2.gz WJSMXFVYCBZMRM-GOSISDBHSA-N 1 0 336.483 4.150 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC4(CCC[N@@H+]4C)CC3)c2c1 ZINC000447690623 1030277786 /nfs/dbraw/zinc/27/77/86/1030277786.db2.gz YWCCGFCQIFTRSI-UHFFFAOYSA-N 1 0 348.494 4.294 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000447694187 1030277849 /nfs/dbraw/zinc/27/78/49/1030277849.db2.gz PTRVBVPUGRYGIZ-IBGZPJMESA-N 1 0 348.494 4.294 20 30 EIEDRO C=CCOCC[NH2+]C(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000451166799 1030292704 /nfs/dbraw/zinc/29/27/04/1030292704.db2.gz PHAKXYMNXQDEBB-UHFFFAOYSA-N 1 0 334.460 4.285 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000657891357 1030334022 /nfs/dbraw/zinc/33/40/22/1030334022.db2.gz WVEOIXHAYMDXCD-FPOVZHCZSA-N 1 0 340.511 4.263 20 30 EIEDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000447845695 1030356992 /nfs/dbraw/zinc/35/69/92/1030356992.db2.gz UDXGKXVMSDYEFQ-LAUBAEHRSA-N 1 0 334.463 4.351 20 30 EIEDRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000127517713 1030378658 /nfs/dbraw/zinc/37/86/58/1030378658.db2.gz PQESQQWBNMELEY-HZPDHXFCSA-N 1 0 335.451 4.359 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)Cn1cnc2c1CCCC2 ZINC000530405596 1030379201 /nfs/dbraw/zinc/37/92/01/1030379201.db2.gz JZEIQIBBLQKPBN-UHFFFAOYSA-N 1 0 337.467 4.253 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)cc1 ZINC000526992722 1030389203 /nfs/dbraw/zinc/38/92/03/1030389203.db2.gz YQBZJAYBLMEWSJ-ZDUSSCGKSA-N 1 0 347.256 4.260 20 30 EIEDRO C=CCC1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000451316135 1030391206 /nfs/dbraw/zinc/39/12/06/1030391206.db2.gz AGHRFZHNTJIRBR-HXUWFJFHSA-N 1 0 340.511 4.151 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451333024 1030412904 /nfs/dbraw/zinc/41/29/04/1030412904.db2.gz AKDLZRXFGZKJBD-RLLQIKCJSA-N 1 0 326.484 4.003 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451333025 1030413700 /nfs/dbraw/zinc/41/37/00/1030413700.db2.gz AKDLZRXFGZKJBD-SXLOBPIMSA-N 1 0 326.484 4.003 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1 ZINC000451696646 1030651115 /nfs/dbraw/zinc/65/11/15/1030651115.db2.gz POTOGSAUDFDRQJ-FCEUIQTBSA-N 1 0 346.474 4.208 20 30 EIEDRO FCC1(CF)CC([NH2+]Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC000658015692 1030766688 /nfs/dbraw/zinc/76/66/88/1030766688.db2.gz UIKZVHVXLCTIRQ-UHFFFAOYSA-N 1 0 329.259 4.161 20 30 EIEDRO C=CCCC1(C[NH2+]C2CCN(Cc3ccncc3)CC2)CCCC1 ZINC000658096779 1030823183 /nfs/dbraw/zinc/82/31/83/1030823183.db2.gz UHIJTKSATGYALQ-UHFFFAOYSA-N 1 0 327.516 4.162 20 30 EIEDRO C=CC(C)(C)CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000527738370 1030837017 /nfs/dbraw/zinc/83/70/17/1030837017.db2.gz VRFAHLKPNICRGA-UHFFFAOYSA-N 1 0 334.891 4.137 20 30 EIEDRO C=CC[C@H](C)NC(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000531061665 1030846419 /nfs/dbraw/zinc/84/64/19/1030846419.db2.gz PGWUKUDELSVHBO-BBRMVZONSA-N 1 0 342.405 4.169 20 30 EIEDRO N#CCCn1cc(C[NH2+]CC[C@H]2CC=CCC2)c(-c2ccccc2)n1 ZINC000527785384 1030847296 /nfs/dbraw/zinc/84/72/96/1030847296.db2.gz AOYIQPFTIILPCE-SFHVURJKSA-N 1 0 334.467 4.300 20 30 EIEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)o1 ZINC000527809944 1030856081 /nfs/dbraw/zinc/85/60/81/1030856081.db2.gz IRRFDAHDEUOGDH-BEFAXECRSA-N 1 0 336.435 4.070 20 30 EIEDRO CN(C)C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000527810204 1030856496 /nfs/dbraw/zinc/85/64/96/1030856496.db2.gz OUTPRFYTMHDBSY-GOSISDBHSA-N 1 0 348.277 4.258 20 30 EIEDRO CN(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000527811421 1030856738 /nfs/dbraw/zinc/85/67/38/1030856738.db2.gz SLNBCXLYBBHNIW-GOSISDBHSA-N 1 0 348.277 4.258 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1OC1CCCC1 ZINC000103172739 1030857855 /nfs/dbraw/zinc/85/78/55/1030857855.db2.gz LFUNBKLHYTYWGD-UHFFFAOYSA-N 1 0 336.435 4.178 20 30 EIEDRO N#Cc1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)ccc1F ZINC000191345132 1030867168 /nfs/dbraw/zinc/86/71/68/1030867168.db2.gz MNPOAMZXLOKBQX-UHFFFAOYSA-N 1 0 345.421 4.337 20 30 EIEDRO N#Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000531103744 1030876929 /nfs/dbraw/zinc/87/69/29/1030876929.db2.gz QTXTXYTZQFKFHT-HSZRJFAPSA-N 1 0 345.490 4.046 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCN(Cc2cccnc2)C1)c1ccco1 ZINC000375787693 1030943574 /nfs/dbraw/zinc/94/35/74/1030943574.db2.gz HOBZIUKTQHMTTQ-UXHICEINSA-N 1 0 339.483 4.184 20 30 EIEDRO C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccc(C#N)cc1F ZINC000527942254 1030958597 /nfs/dbraw/zinc/95/85/97/1030958597.db2.gz JWMWPOIQTWUOHN-RONXPYQUSA-N 1 0 326.802 4.340 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@@H](C)C1CCCCC1)C(=O)Nc1ccccc1C#N ZINC000531368210 1031148518 /nfs/dbraw/zinc/14/85/18/1031148518.db2.gz IIDQGEQCVRCZHA-PMPSAXMXSA-N 1 0 327.472 4.080 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000237545505 1031229197 /nfs/dbraw/zinc/22/91/97/1031229197.db2.gz NRMNDSUKQWJKPL-SFHVURJKSA-N 1 0 339.870 4.136 20 30 EIEDRO C=CCCC[N@@H+](C)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000532571895 1031302971 /nfs/dbraw/zinc/30/29/71/1031302971.db2.gz DRWZGVJLZFMMLJ-FQEVSTJZSA-N 1 0 344.499 4.037 20 30 EIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000532575217 1031305862 /nfs/dbraw/zinc/30/58/62/1031305862.db2.gz BDIAHHQNZJLZHW-INIZCTEOSA-N 1 0 333.501 4.239 20 30 EIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000532575286 1031309105 /nfs/dbraw/zinc/30/91/05/1031309105.db2.gz BDIAHHQNZJLZHW-MRXNPFEDSA-N 1 0 333.501 4.239 20 30 EIEDRO C=CCCC[N@@H+](C)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000532580160 1031315355 /nfs/dbraw/zinc/31/53/55/1031315355.db2.gz GRHNLKBSQPZXID-FQEVSTJZSA-N 1 0 338.451 4.273 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000531563155 1031380939 /nfs/dbraw/zinc/38/09/39/1031380939.db2.gz VRHIQUJYEIHBSG-HBFSDRIKSA-N 1 0 341.499 4.107 20 30 EIEDRO C=CCC1(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCCC1 ZINC000449065859 1031394187 /nfs/dbraw/zinc/39/41/87/1031394187.db2.gz WYGKMOGDCRXFJS-QGZVFWFLSA-N 1 0 330.472 4.059 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000449143089 1031478980 /nfs/dbraw/zinc/47/89/80/1031478980.db2.gz VRXCEHUXPLMZIV-KRWDZBQOSA-N 1 0 335.536 4.218 20 30 EIEDRO COc1cccc(CC2CC[NH+](Cc3ccc(C#N)s3)CC2)c1 ZINC000612400877 1031484442 /nfs/dbraw/zinc/48/44/42/1031484442.db2.gz AUPWRFBFKXNADN-UHFFFAOYSA-N 1 0 326.465 4.083 20 30 EIEDRO C[C@@H]([NH2+]Cc1cncc(OCc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000548933767 1031565013 /nfs/dbraw/zinc/56/50/13/1031565013.db2.gz ZCGLNNHJZIRDSV-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179897824 1031571035 /nfs/dbraw/zinc/57/10/35/1031571035.db2.gz SAMGOYCVDKIBSL-NRFANRHFSA-N 1 0 342.446 4.296 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC2(CCOCc3ccccc3)CC2)CC1 ZINC000449247363 1031583349 /nfs/dbraw/zinc/58/33/49/1031583349.db2.gz FQHVVBKJJALZKB-UHFFFAOYSA-N 1 0 326.484 4.436 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)cc1 ZINC000531777974 1031592478 /nfs/dbraw/zinc/59/24/78/1031592478.db2.gz UIGDIGRTVBJXBQ-UHFFFAOYSA-N 1 0 327.840 4.154 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449306553 1031611048 /nfs/dbraw/zinc/61/10/48/1031611048.db2.gz WXEGBRCSQDFWHJ-UHFFFAOYSA-N 1 0 325.225 4.008 20 30 EIEDRO N#Cc1c(F)ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1Cl ZINC000365451107 1031676236 /nfs/dbraw/zinc/67/62/36/1031676236.db2.gz DXOMRKYAKGBXKA-KXBFYZLASA-N 1 0 344.817 4.218 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CSc4ccccc43)CC2)cc1 ZINC000449359586 1031678822 /nfs/dbraw/zinc/67/88/22/1031678822.db2.gz GTVLYWHRARJRGL-KRWDZBQOSA-N 1 0 349.503 4.006 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000449406007 1031709407 /nfs/dbraw/zinc/70/94/07/1031709407.db2.gz RANATFHAGVWBRE-UHFFFAOYSA-N 1 0 327.255 4.434 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000449444987 1031739334 /nfs/dbraw/zinc/73/93/34/1031739334.db2.gz GHFRXXQITRVTOF-PXNSSMCTSA-N 1 0 348.494 4.397 20 30 EIEDRO CCOc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)ccc1OCC(C)C ZINC000449445743 1031740231 /nfs/dbraw/zinc/74/02/31/1031740231.db2.gz LBWDTNWMICTLMC-WMZOPIPTSA-N 1 0 330.472 4.292 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2Cl)C1 ZINC000449447467 1031742792 /nfs/dbraw/zinc/74/27/92/1031742792.db2.gz YUIQQSVZHPVZPR-GWCFXTLKSA-N 1 0 327.653 4.274 20 30 EIEDRO Cc1nc2scc(C3CC3)n2c1CN(C)Cc1cccc(C#N)c1 ZINC000459311649 1031779382 /nfs/dbraw/zinc/77/93/82/1031779382.db2.gz YDGZYYWCJLSNEN-UHFFFAOYSA-N 1 0 336.464 4.085 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1 ZINC000508664947 1031811228 /nfs/dbraw/zinc/81/12/28/1031811228.db2.gz KQWMJAYVDQMUEE-APWZRJJASA-N 1 0 341.499 4.061 20 30 EIEDRO C[C@@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000453274168 1031819903 /nfs/dbraw/zinc/81/99/03/1031819903.db2.gz CPMQLHRPSUCDNU-ACJLOTCBSA-N 1 0 348.368 4.351 20 30 EIEDRO N#Cc1ccc(C2([NH2+]CCc3ccccc3Cl)CCOCC2)cc1 ZINC000528784434 1031852185 /nfs/dbraw/zinc/85/21/85/1031852185.db2.gz SVKYUZYZUHXZIF-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000453338764 1031863238 /nfs/dbraw/zinc/86/32/38/1031863238.db2.gz CPLVNQMBSCJSFP-OCCSQVGLSA-N 1 0 334.460 4.235 20 30 EIEDRO C=CCC1(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CCCC1 ZINC000449607548 1031869928 /nfs/dbraw/zinc/86/99/28/1031869928.db2.gz YEKLERCGHUQEIE-HNNXBMFYSA-N 1 0 330.472 4.441 20 30 EIEDRO N#Cc1cccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000531988647 1031896416 /nfs/dbraw/zinc/89/64/16/1031896416.db2.gz XBPNYLHOHRMCCE-PKTZIBPZSA-N 1 0 345.490 4.045 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1F ZINC000453363886 1031907527 /nfs/dbraw/zinc/90/75/27/1031907527.db2.gz CFIKMTQNDRXOSF-KRWDZBQOSA-N 1 0 330.790 4.354 20 30 EIEDRO C=C(C)C[NH+]1CCC(N[C@H](C)c2sccc2Br)CC1 ZINC000531975696 1031914138 /nfs/dbraw/zinc/91/41/38/1031914138.db2.gz QYTGYIXUQJOTOO-GFCCVEGCSA-N 1 0 343.334 4.202 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc1F ZINC000453378713 1031928387 /nfs/dbraw/zinc/92/83/87/1031928387.db2.gz JILZINSNUOWENS-MRXNPFEDSA-N 1 0 349.331 4.278 20 30 EIEDRO N#CCc1cccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000449697233 1031935193 /nfs/dbraw/zinc/93/51/93/1031935193.db2.gz LDDUJAHJDMBALN-BAGYTPMASA-N 1 0 331.463 4.075 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000449766026 1031988745 /nfs/dbraw/zinc/98/87/45/1031988745.db2.gz MFHORAKPGUJXJI-IBGZPJMESA-N 1 0 343.492 4.306 20 30 EIEDRO Cc1cc(Br)c(C[NH2+]CC2CCC(C#N)CC2)s1 ZINC000453596277 1032020459 /nfs/dbraw/zinc/02/04/59/1032020459.db2.gz NLCRWJKHAORKNX-UHFFFAOYSA-N 1 0 327.291 4.239 20 30 EIEDRO C=CCC1(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCCC1 ZINC000449796186 1032022204 /nfs/dbraw/zinc/02/22/04/1032022204.db2.gz SFRMPUXOBNVRJZ-UHFFFAOYSA-N 1 0 344.474 4.043 20 30 EIEDRO C=CCC1(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCCC1 ZINC000449821626 1032046287 /nfs/dbraw/zinc/04/62/87/1032046287.db2.gz RNQZRLJSJLEAOJ-LJQANCHMSA-N 1 0 332.532 4.093 20 30 EIEDRO COc1ccc(CC2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000512614729 1033498721 /nfs/dbraw/zinc/49/87/21/1033498721.db2.gz SFPIRPHDNPQNFR-UHFFFAOYSA-N 1 0 326.465 4.083 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512629911 1033549618 /nfs/dbraw/zinc/54/96/18/1033549618.db2.gz KNPSZGUTBNSUOP-CVEARBPZSA-N 1 0 339.458 4.477 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512631043 1033553716 /nfs/dbraw/zinc/55/37/16/1033553716.db2.gz PLXJEAGTETZPQE-KBPBESRZSA-N 1 0 342.414 4.435 20 30 EIEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512628694 1033562762 /nfs/dbraw/zinc/56/27/62/1033562762.db2.gz GFPVCCBCBXVDKW-ZIAGYGMSSA-N 1 0 340.398 4.098 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1F ZINC000512634878 1033578443 /nfs/dbraw/zinc/57/84/43/1033578443.db2.gz FPURBVRTGDAAFD-KQPNJSLMSA-N 1 0 346.352 4.156 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cc1 ZINC000614171317 1033582208 /nfs/dbraw/zinc/58/22/08/1033582208.db2.gz JKCODCQXCNMJKM-QFIPXVFZSA-N 1 0 334.463 4.235 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649500 1033605452 /nfs/dbraw/zinc/60/54/52/1033605452.db2.gz SGFNFMLVBGUXFL-APWZRJJASA-N 1 0 337.442 4.013 20 30 EIEDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(Cl)c1 ZINC000512655544 1033624469 /nfs/dbraw/zinc/62/44/69/1033624469.db2.gz VGOIHSQHHQSIAC-LBPRGKRZSA-N 1 0 332.806 4.253 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nnc2ccccn21 ZINC000614182700 1033626321 /nfs/dbraw/zinc/62/63/21/1033626321.db2.gz DZRFCWYMGXOQFI-IBGZPJMESA-N 1 0 347.466 4.017 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccccc1 ZINC000433011573 1033636487 /nfs/dbraw/zinc/63/64/87/1033636487.db2.gz GQMAHOLZQOEBMU-LJQANCHMSA-N 1 0 340.398 4.217 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512662699 1033637744 /nfs/dbraw/zinc/63/77/44/1033637744.db2.gz ZQYSBABUPMQNCZ-OLZOCXBDSA-N 1 0 328.387 4.126 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c2ccccc2n1 ZINC000512659604 1033645966 /nfs/dbraw/zinc/64/59/66/1033645966.db2.gz ILHQAWOYZROMKL-ZDUSSCGKSA-N 1 0 335.382 4.105 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666373 1033658682 /nfs/dbraw/zinc/65/86/82/1033658682.db2.gz KFCLFVRTQPUUEI-KDOFPFPSSA-N 1 0 343.471 4.247 20 30 EIEDRO CC[NH+](CC)[C@@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512669095 1033670753 /nfs/dbraw/zinc/67/07/53/1033670753.db2.gz YQELZHMIYIXYLJ-IERDGZPVSA-N 1 0 339.458 4.431 20 30 EIEDRO Cn1c(C[NH2+][C@@H](CCCC#N)c2ccccc2)nnc1-c1ccccc1 ZINC000433021804 1033676242 /nfs/dbraw/zinc/67/62/42/1033676242.db2.gz YSVLEJBQRZXAQS-IBGZPJMESA-N 1 0 345.450 4.007 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673188 1033680235 /nfs/dbraw/zinc/68/02/35/1033680235.db2.gz PGLQWQDYZSGXQR-KBXCAEBGSA-N 1 0 329.419 4.024 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512672485 1033681484 /nfs/dbraw/zinc/68/14/84/1033681484.db2.gz KZJCKDHOVZQNPU-GJZGRUSLSA-N 1 0 326.415 4.378 20 30 EIEDRO Cc1ccc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000433025881 1033687591 /nfs/dbraw/zinc/68/75/91/1033687591.db2.gz BNOPEWCTSIRLNC-SFHVURJKSA-N 1 0 339.414 4.097 20 30 EIEDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411156346 1033703380 /nfs/dbraw/zinc/70/33/80/1033703380.db2.gz KHRGWHWWTDRYJS-QGZVFWFLSA-N 1 0 337.471 4.124 20 30 EIEDRO COC(=O)c1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1F ZINC000433035075 1033713179 /nfs/dbraw/zinc/71/31/79/1033713179.db2.gz KNIGOBVPCJRRIU-LJQANCHMSA-N 1 0 340.398 4.137 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](CCC3(C#N)CCCCC3)CC2)c1 ZINC000411243880 1033766102 /nfs/dbraw/zinc/76/61/02/1033766102.db2.gz YPSNPPRFKQZUAE-UHFFFAOYSA-N 1 0 337.467 4.266 20 30 EIEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000411366760 1033855329 /nfs/dbraw/zinc/85/53/29/1033855329.db2.gz PYYFZFXFKHZQNF-DZGCQCFKSA-N 1 0 344.846 4.262 20 30 EIEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CCC#N)ccc1OCc1ccncc1 ZINC000411457767 1033899118 /nfs/dbraw/zinc/89/91/18/1033899118.db2.gz WWJCBHSCYXMOIO-JKSUJKDBSA-N 1 0 339.439 4.012 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CCC2(C#N)CCCCC2)cc(OC)c1OC ZINC000411451490 1033906820 /nfs/dbraw/zinc/90/68/20/1033906820.db2.gz VCNXYPKSDMAOJS-HNNXBMFYSA-N 1 0 346.471 4.227 20 30 EIEDRO C=CCOc1cccc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)c1 ZINC000433193768 1034021564 /nfs/dbraw/zinc/02/15/64/1034021564.db2.gz LJFLICYZTIWHMG-HXUWFJFHSA-N 1 0 338.451 4.249 20 30 EIEDRO Cc1cccc([C@H](C)[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000433208072 1034057790 /nfs/dbraw/zinc/05/77/90/1034057790.db2.gz SWFASSPTKLRLTC-IBGZPJMESA-N 1 0 333.479 4.136 20 30 EIEDRO N#CC1(CCC[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000433299883 1034192596 /nfs/dbraw/zinc/19/25/96/1034192596.db2.gz RUGBXNQFPPHFJU-QGZVFWFLSA-N 1 0 332.875 4.230 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000513059017 1034381421 /nfs/dbraw/zinc/38/14/21/1034381421.db2.gz VBIINWGHYOABGF-JRGCBEDISA-N 1 0 338.426 4.138 20 30 EIEDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000894160591 1034407543 /nfs/dbraw/zinc/40/75/43/1034407543.db2.gz DGAXLXPTVSXXCG-UHFFFAOYSA-N 1 0 336.464 4.115 20 30 EIEDRO N#CC[C@@H]1CCCN(Cc2cc(Cl)ccc2Br)C1 ZINC000397791542 1034487617 /nfs/dbraw/zinc/48/76/17/1034487617.db2.gz ZPQSJQMIPDVIRB-NSHDSACASA-N 1 0 327.653 4.228 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000513078479 1034500758 /nfs/dbraw/zinc/50/07/58/1034500758.db2.gz XXQORADZSIXRLG-QXAKKESOSA-N 1 0 326.465 4.061 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000067251592 1034530742 /nfs/dbraw/zinc/53/07/42/1034530742.db2.gz JITKCOLHSPZKFP-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000614396883 1034537300 /nfs/dbraw/zinc/53/73/00/1034537300.db2.gz XGWPSPOQHRSXMQ-YADHBBJMSA-N 1 0 334.463 4.466 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(C#N)cc4C)C3)nc2c1 ZINC000614403240 1034549972 /nfs/dbraw/zinc/54/99/72/1034549972.db2.gz MVNHNHRJZGMAMR-IBGZPJMESA-N 1 0 344.462 4.431 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000614403132 1034551860 /nfs/dbraw/zinc/55/18/60/1034551860.db2.gz GJZIGBGHTBFFIQ-UHFFFAOYSA-N 1 0 349.261 4.168 20 30 EIEDRO Cc1cc(C#N)ccc1CN1CCC[C@H]1c1nc2ccccc2n1C ZINC000614403686 1034552099 /nfs/dbraw/zinc/55/20/99/1034552099.db2.gz PUMNFOALVJHPSH-FQEVSTJZSA-N 1 0 330.435 4.091 20 30 EIEDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(OCC#N)cc2)C2CC2)o1 ZINC000729267274 1034767517 /nfs/dbraw/zinc/76/75/17/1034767517.db2.gz OYVFNTNEROJFIB-FOIQADDNSA-N 1 0 336.435 4.470 20 30 EIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000729267387 1034767841 /nfs/dbraw/zinc/76/78/41/1034767841.db2.gz UBAQPBBAIVWQLE-QGZVFWFLSA-N 1 0 347.418 4.110 20 30 EIEDRO COc1ccc(C#N)cc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000513354036 1034889156 /nfs/dbraw/zinc/88/91/56/1034889156.db2.gz YHKBTCHIOOGMQD-QFBILLFUSA-N 1 0 335.451 4.032 20 30 EIEDRO C=CCC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000467287881 1035028595 /nfs/dbraw/zinc/02/85/95/1035028595.db2.gz KZJPTIAQYBVEPT-HXUWFJFHSA-N 1 0 342.508 4.024 20 30 EIEDRO C=CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000664212316 1035066275 /nfs/dbraw/zinc/06/62/75/1035066275.db2.gz IJCIOZYQJJIMPP-DOTOQJQBSA-N 1 0 349.544 4.175 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280168633 1035191884 /nfs/dbraw/zinc/19/18/84/1035191884.db2.gz FTKFHXMSXAHOMM-IFUGULHKSA-N 1 0 346.780 4.064 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000513712389 1035424129 /nfs/dbraw/zinc/42/41/29/1035424129.db2.gz BTHAHXKIMVSJCX-GWFLUQINSA-N 1 0 330.447 4.366 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(Cl)c(Br)c2)c1 ZINC000137073328 1035427381 /nfs/dbraw/zinc/42/73/81/1035427381.db2.gz SOYIWOLCKMRVDD-UHFFFAOYSA-N 1 0 335.632 4.264 20 30 EIEDRO CCCn1nccc1C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000501522797 1035458740 /nfs/dbraw/zinc/45/87/40/1035458740.db2.gz KHIXELPHDGMXBB-UHFFFAOYSA-N 1 0 342.874 4.198 20 30 EIEDRO CCCn1nccc1C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000501529816 1035459498 /nfs/dbraw/zinc/45/94/98/1035459498.db2.gz HYSNBXAKLCQWPY-UHFFFAOYSA-N 1 0 341.886 4.178 20 30 EIEDRO COCc1csc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000594982573 1035515326 /nfs/dbraw/zinc/51/53/26/1035515326.db2.gz AHYPSJVJSCIOLX-UHFFFAOYSA-N 1 0 340.370 4.075 20 30 EIEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)o1 ZINC000594983159 1035516173 /nfs/dbraw/zinc/51/61/73/1035516173.db2.gz GHRTUSJCYNBAGG-BEFAXECRSA-N 1 0 336.435 4.070 20 30 EIEDRO C=CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)CC1CCCCC1 ZINC000484970527 1035516565 /nfs/dbraw/zinc/51/65/65/1035516565.db2.gz KQQFOQVUEAQSRT-UHFFFAOYSA-N 1 0 341.455 4.314 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCCc3cc(Br)ccc32)o1 ZINC000594993987 1035517874 /nfs/dbraw/zinc/51/78/74/1035517874.db2.gz CYURXXGYHCJNDP-KRWDZBQOSA-N 1 0 345.240 4.471 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccccc3Cl)CCOCC2)c1 ZINC000594984724 1035518286 /nfs/dbraw/zinc/51/82/86/1035518286.db2.gz SHUWKWIEFDYBDV-UHFFFAOYSA-N 1 0 326.827 4.007 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cc(Br)cs1 ZINC000595055863 1035534900 /nfs/dbraw/zinc/53/49/00/1035534900.db2.gz KYRKVAMGHQDIOP-NSHDSACASA-N 1 0 335.270 4.276 20 30 EIEDRO C=CCCSCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000595060581 1035540491 /nfs/dbraw/zinc/54/04/91/1035540491.db2.gz VZJJCPHXLALQLM-QZTJIDSGSA-N 1 0 333.497 4.067 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000595073588 1035556670 /nfs/dbraw/zinc/55/66/70/1035556670.db2.gz NWIJTHKJQRRPSM-MEDUHNTESA-N 1 0 344.352 4.238 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)CC2 ZINC000595093659 1035598421 /nfs/dbraw/zinc/59/84/21/1035598421.db2.gz LWWBOYDJEARBBS-MRXNPFEDSA-N 1 0 332.325 4.076 20 30 EIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1OC 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0 349.409 4.261 20 30 EIEDRO N#CC(CC[NH2+]C1(CCO)CCCC1)(c1ccccc1)c1ccccc1 ZINC000595509825 1035691328 /nfs/dbraw/zinc/69/13/28/1035691328.db2.gz WTUPGKBCKQCZAD-UHFFFAOYSA-N 1 0 348.490 4.171 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000575131192 1035710397 /nfs/dbraw/zinc/71/03/97/1035710397.db2.gz XTBNMFFQPDAWRK-ZDUSSCGKSA-N 1 0 348.899 4.149 20 30 EIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C#N)s1 ZINC000151358221 1035711147 /nfs/dbraw/zinc/71/11/47/1035711147.db2.gz OBVVURSGWQLEHL-UHFFFAOYSA-N 1 0 336.464 4.219 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc2ccc(Cl)cc2n1C ZINC000575180533 1035719463 /nfs/dbraw/zinc/71/94/63/1035719463.db2.gz ZKRPSKIARYTKJK-ZDUSSCGKSA-N 1 0 338.842 4.144 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000595619408 1035735739 /nfs/dbraw/zinc/73/57/39/1035735739.db2.gz AGBXNTUVUMLKAZ-SUMWQHHRSA-N 1 0 333.273 4.452 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cccc(C#N)c1 ZINC000595634826 1035742750 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N#Cc1ccc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)cc1F ZINC000595828841 1035801672 /nfs/dbraw/zinc/80/16/72/1035801672.db2.gz OBXPLLCKHJRMAV-UHFFFAOYSA-N 1 0 336.410 4.057 20 30 EIEDRO C[C@@H](C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000491182559 1035817052 /nfs/dbraw/zinc/81/70/52/1035817052.db2.gz LQTMOAVRYUHVFD-KRWDZBQOSA-N 1 0 344.462 4.194 20 30 EIEDRO CCC(CC)C[N@H+](CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000502047836 1035823847 /nfs/dbraw/zinc/82/38/47/1035823847.db2.gz FCWGUIBALCLGDR-UHFFFAOYSA-N 1 0 343.515 4.308 20 30 EIEDRO Cc1ccccc1C(=O)C(C(=S)Nc1ccccc1)[n+]1ccccc1 ZINC000055011884 1035878055 /nfs/dbraw/zinc/87/80/55/1035878055.db2.gz IDJXFXYZCLZKOR-UHFFFAOYSA-O 1 0 347.463 4.333 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC34CCCCCC4)o2)cc1 ZINC000366729439 1035885506 /nfs/dbraw/zinc/88/55/06/1035885506.db2.gz CAERBSDTRFAEMJ-UHFFFAOYSA-N 1 0 336.439 4.297 20 30 EIEDRO C=CCSc1ccccc1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000485477306 1035912242 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OXKXEIPLZNGIFA-LVCYWYKZSA-N 1 0 337.511 4.079 20 30 EIEDRO C=CCc1cc(C[N@@H+](CC)[C@H](CC)c2ccncc2)c(O)c(OC)c1 ZINC000164400456 1036076725 /nfs/dbraw/zinc/07/67/25/1036076725.db2.gz GZOQTCYNNRAEJI-LJQANCHMSA-N 1 0 340.467 4.498 20 30 EIEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000597075778 1036094492 /nfs/dbraw/zinc/09/44/92/1036094492.db2.gz YBOJYISDYNWJCL-UHFFFAOYSA-N 1 0 330.353 4.291 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)cc2)CC1 ZINC000597088831 1036101813 /nfs/dbraw/zinc/10/18/13/1036101813.db2.gz RXNXOSHWGBKFNK-HSZRJFAPSA-N 1 0 344.458 4.263 20 30 EIEDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597175112 1036141692 /nfs/dbraw/zinc/14/16/92/1036141692.db2.gz WRUNFIJJSONUBR-INIZCTEOSA-N 1 0 342.874 4.268 20 30 EIEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)CC2(C#N)CCCCC2)c1 ZINC000597207890 1036152980 /nfs/dbraw/zinc/15/29/80/1036152980.db2.gz WNPOHDQKAJECOC-UHFFFAOYSA-N 1 0 341.499 4.007 20 30 EIEDRO Cc1cc([C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c(O)cc1Cl ZINC000597223884 1036169629 /nfs/dbraw/zinc/16/96/29/1036169629.db2.gz WILNQTRTBSZCHT-LBPRGKRZSA-N 1 0 332.856 4.277 20 30 EIEDRO COCC[C@H]1CCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000502433693 1036220998 /nfs/dbraw/zinc/22/09/98/1036220998.db2.gz WIGATDJZHUXQDO-SGZDXZSOSA-N 1 0 342.483 4.043 20 30 EIEDRO CC1CC[NH+](Cc2ccc(NC(=O)CCCCCC#N)cc2)CC1 ZINC000588156371 1036231787 /nfs/dbraw/zinc/23/17/87/1036231787.db2.gz ABCPCCAIWIHDCW-UHFFFAOYSA-N 1 0 327.472 4.331 20 30 EIEDRO N#CCC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000269629673 1036272591 /nfs/dbraw/zinc/27/25/91/1036272591.db2.gz VFFWTAPYJDGZCF-OAQYLSRUSA-N 1 0 347.462 4.057 20 30 EIEDRO C=CCC1([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000668553069 1036280219 /nfs/dbraw/zinc/28/02/19/1036280219.db2.gz ZZMSEQUMYPNCFN-UHFFFAOYSA-N 1 0 348.918 4.019 20 30 EIEDRO CCOC(=O)CC(C)(C)CC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000588199215 1036296768 /nfs/dbraw/zinc/29/67/68/1036296768.db2.gz SRDITKUQNLYFLG-INIZCTEOSA-N 1 0 330.472 4.311 20 30 EIEDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000421354944 1036297009 /nfs/dbraw/zinc/29/70/09/1036297009.db2.gz XXWHXZBZGWHSDK-GFCCVEGCSA-N 1 0 336.407 4.332 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000588206480 1036299162 /nfs/dbraw/zinc/29/91/62/1036299162.db2.gz XKBHRRNSRZJKDY-UHFFFAOYSA-N 1 0 338.426 4.187 20 30 EIEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc2ncsc2c1 ZINC000485817572 1036301723 /nfs/dbraw/zinc/30/17/23/1036301723.db2.gz KPFAZFYBXBLPCA-AWEZNQCLSA-N 1 0 337.448 4.288 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000588231640 1036306686 /nfs/dbraw/zinc/30/66/86/1036306686.db2.gz DWRQZHINGXYACE-OAHLLOKOSA-N 1 0 326.362 4.492 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602006432 1036308340 /nfs/dbraw/zinc/30/83/40/1036308340.db2.gz KPLUZWIVEGWWSD-INIZCTEOSA-N 1 0 337.442 4.013 20 30 EIEDRO Cc1c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cccc1[N+](=O)[O-] ZINC000502542300 1036315943 /nfs/dbraw/zinc/31/59/43/1036315943.db2.gz YSLCKUOEPNTWHR-UHFFFAOYSA-N 1 0 333.391 4.064 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000571987816 1036325681 /nfs/dbraw/zinc/32/56/81/1036325681.db2.gz AWROQZXVFZSZLI-CYBMUJFWSA-N 1 0 334.448 4.236 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)cc1F ZINC000421357271 1036332762 /nfs/dbraw/zinc/33/27/62/1036332762.db2.gz NBDWSRONDMXJNI-MRXNPFEDSA-N 1 0 336.332 4.208 20 30 EIEDRO N#CCCCCCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000588283770 1036338195 /nfs/dbraw/zinc/33/81/95/1036338195.db2.gz JLJLYUUNCOEQCJ-SFHVURJKSA-N 1 0 347.890 4.067 20 30 EIEDRO CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000906628112 1036362621 /nfs/dbraw/zinc/36/26/21/1036362621.db2.gz MJALTCQKTFTOFT-CVEARBPZSA-N 1 0 345.512 4.141 20 30 EIEDRO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000906628114 1036364298 /nfs/dbraw/zinc/36/42/98/1036364298.db2.gz MJALTCQKTFTOFT-HZPDHXFCSA-N 1 0 345.512 4.141 20 30 EIEDRO CCOc1ccccc1Oc1ccc(C[NH2+]C[C@H](C)CCC#N)cn1 ZINC000602520213 1036478132 /nfs/dbraw/zinc/47/81/32/1036478132.db2.gz KYQZNAJKWQDRMV-MRXNPFEDSA-N 1 0 339.439 4.302 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000602523900 1036479178 /nfs/dbraw/zinc/47/91/78/1036479178.db2.gz HXAVIDAQAKTGDS-HNNXBMFYSA-N 1 0 334.891 4.306 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000602523445 1036480620 /nfs/dbraw/zinc/48/06/20/1036480620.db2.gz COVWZLQMLGNNMG-INIZCTEOSA-N 1 0 327.472 4.235 20 30 EIEDRO CC(C)SCC[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366983739 1036480599 /nfs/dbraw/zinc/48/05/99/1036480599.db2.gz SLDJTSPPXVXZAX-ZDUSSCGKSA-N 1 0 331.510 4.474 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000602508508 1036482252 /nfs/dbraw/zinc/48/22/52/1036482252.db2.gz BZTMKFXSVNNJIN-KRWDZBQOSA-N 1 0 328.500 4.215 20 30 EIEDRO Cc1nc(-c2ccc(CC[NH2+]C3CCC(C#N)CC3)s2)cs1 ZINC000602510148 1036483581 /nfs/dbraw/zinc/48/35/81/1036483581.db2.gz DFLNLWJUFQDENE-UHFFFAOYSA-N 1 0 331.510 4.395 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602508027 1036483988 /nfs/dbraw/zinc/48/39/88/1036483988.db2.gz KWQYTAAKHLJOBL-IRLDBZIGSA-N 1 0 331.463 4.016 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000602508030 1036484205 /nfs/dbraw/zinc/48/42/05/1036484205.db2.gz KWQYTAAKHLJOBL-UNMCSNQZSA-N 1 0 331.463 4.016 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000602512132 1036485553 /nfs/dbraw/zinc/48/55/53/1036485553.db2.gz QDCRGORMAGNNJD-XJKSGUPXSA-N 1 0 334.460 4.051 20 30 EIEDRO N#CC1CCC([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000602511966 1036487180 /nfs/dbraw/zinc/48/71/80/1036487180.db2.gz SSJGKXRVLYDAOB-JTTJXQCZSA-N 1 0 349.881 4.288 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000414531535 1036491529 /nfs/dbraw/zinc/49/15/29/1036491529.db2.gz GJQFZYIZERWUQX-FUHWJXTLSA-N 1 0 328.481 4.272 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602525547 1036493245 /nfs/dbraw/zinc/49/32/45/1036493245.db2.gz CRRBZOMPVHVGEU-UPTPFMHGSA-N 1 0 331.891 4.147 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1csc2ccccc12 ZINC000602528136 1036493485 /nfs/dbraw/zinc/49/34/85/1036493485.db2.gz NARHDDMENPPREG-OAHLLOKOSA-N 1 0 328.481 4.132 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000602644850 1036535106 /nfs/dbraw/zinc/53/51/06/1036535106.db2.gz OTAXFHZIJBRNCA-ZVZYQTTQSA-N 1 0 332.875 4.275 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000602643819 1036538471 /nfs/dbraw/zinc/53/84/71/1036538471.db2.gz LIYLLYAWDZJART-OCCSQVGLSA-N 1 0 326.271 4.102 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000602645934 1036539696 /nfs/dbraw/zinc/53/96/96/1036539696.db2.gz VHLLDNCYULZFNO-SZVBFZGTSA-N 1 0 330.447 4.150 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000602645932 1036540936 /nfs/dbraw/zinc/54/09/36/1036540936.db2.gz VHLLDNCYULZFNO-SUMDDJOVSA-N 1 0 330.447 4.150 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000602674040 1036551335 /nfs/dbraw/zinc/55/13/35/1036551335.db2.gz BRTJJKCFPRQNJX-CQSZACIVSA-N 1 0 338.854 4.100 20 30 EIEDRO N#CC1CCC(Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000602697818 1036564554 /nfs/dbraw/zinc/56/45/54/1036564554.db2.gz IONHRPLSFZMOGG-UHFFFAOYSA-N 1 0 329.513 4.369 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cc1F ZINC000602681835 1036570633 /nfs/dbraw/zinc/57/06/33/1036570633.db2.gz NBXGILSVCAEQDS-SIKLNZKXSA-N 1 0 349.453 4.155 20 30 EIEDRO Cc1ccc([C@@H](CNc2snc(Cl)c2C#N)[NH+]2CCCC2)cc1 ZINC000060862639 1036582314 /nfs/dbraw/zinc/58/23/14/1036582314.db2.gz DJOJHSYROAFCHA-OAHLLOKOSA-N 1 0 346.887 4.226 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)n1 ZINC000602723780 1036594927 /nfs/dbraw/zinc/59/49/27/1036594927.db2.gz IQYVLMUTASTFCI-SFHVURJKSA-N 1 0 336.826 4.255 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)cc1 ZINC000513756721 1036661858 /nfs/dbraw/zinc/66/18/58/1036661858.db2.gz ZSZIPRYMNFBSGT-VQTJNVASSA-N 1 0 342.389 4.121 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(C)C ZINC000598603588 1036704109 /nfs/dbraw/zinc/70/41/09/1036704109.db2.gz WOLYPEKZKISQNV-YJBOKZPZSA-N 1 0 328.456 4.329 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1Oc1ccccc1 ZINC000598603687 1036705717 /nfs/dbraw/zinc/70/57/17/1036705717.db2.gz YUJBWSGQEXCBST-IAGOWNOFSA-N 1 0 338.451 4.430 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000598586750 1036705812 /nfs/dbraw/zinc/70/58/12/1036705812.db2.gz YLFJJNYHGIACIS-BBRMVZONSA-N 1 0 341.282 4.431 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000598589481 1036708386 /nfs/dbraw/zinc/70/83/86/1036708386.db2.gz IVBZMXLIYFLZLM-HNNXBMFYSA-N 1 0 336.426 4.010 20 30 EIEDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000603028189 1036709495 /nfs/dbraw/zinc/70/94/95/1036709495.db2.gz AWKGMTSXZRRQOX-FQEVSTJZSA-N 1 0 336.439 4.153 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000598597162 1036711717 /nfs/dbraw/zinc/71/17/17/1036711717.db2.gz WZNFBFVWJMHMIY-LBPRGKRZSA-N 1 0 329.271 4.119 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000598615996 1036714752 /nfs/dbraw/zinc/71/47/52/1036714752.db2.gz IQHWXGRMOIIRGP-WBMJQRKESA-N 1 0 341.282 4.335 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCSc1ccc(F)cc1)CC2 ZINC000589337218 1036737606 /nfs/dbraw/zinc/73/76/06/1036737606.db2.gz QEMRARDOTXBNJP-IBGZPJMESA-N 1 0 326.440 4.457 20 30 EIEDRO Cc1cc(C(C)(C)[NH2+]Cc2ccnc(C#N)c2)ccc1Br ZINC000589308716 1036741334 /nfs/dbraw/zinc/74/13/34/1036741334.db2.gz CTOKFQUXCLUONE-UHFFFAOYSA-N 1 0 344.256 4.049 20 30 EIEDRO COc1cc(C[NH2+]Cc2cnc(-c3cccs3)s2)ccc1C#N ZINC000589322836 1036746820 /nfs/dbraw/zinc/74/68/20/1036746820.db2.gz NDWMPOQFDJJAIV-UHFFFAOYSA-N 1 0 341.461 4.042 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000367073613 1036747441 /nfs/dbraw/zinc/74/74/41/1036747441.db2.gz UETWSQGGUIHLEM-NRFANRHFSA-N 1 0 332.447 4.274 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598703385 1036751309 /nfs/dbraw/zinc/75/13/09/1036751309.db2.gz HDCQHIBUSKUYRY-OALUTQOASA-N 1 0 342.870 4.320 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000598715847 1036758045 /nfs/dbraw/zinc/75/80/45/1036758045.db2.gz UGGGPYPGGGETIT-MOPGFXCFSA-N 1 0 342.870 4.320 20 30 EIEDRO C[C@@]1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)OCCc2sccc21 ZINC000589348803 1036759208 /nfs/dbraw/zinc/75/92/08/1036759208.db2.gz DMSDDAAKFDXAJU-QUCCMNQESA-N 1 0 338.476 4.075 20 30 EIEDRO CCC[N@H+](CCCC(C)(C)C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502896249 1036765106 /nfs/dbraw/zinc/76/51/06/1036765106.db2.gz UEKDIYGZPDVOCY-KRWDZBQOSA-N 1 0 329.488 4.446 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(OC)c2)cc1 ZINC000061016152 1036769038 /nfs/dbraw/zinc/76/90/38/1036769038.db2.gz REIRSDAHXRCBRE-UHFFFAOYSA-N 1 0 349.377 4.151 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(OC)c2)C(C)C)c(F)c1 ZINC000421861680 1036815096 /nfs/dbraw/zinc/81/50/96/1036815096.db2.gz WDPYYMCNTXUPNN-HXUWFJFHSA-N 1 0 342.414 4.201 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)s1 ZINC000421879447 1036830591 /nfs/dbraw/zinc/83/05/91/1036830591.db2.gz NEUSZBRFIZOJPC-ACJLOTCBSA-N 1 0 330.428 4.016 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3[C@H]4Cc5cc(Cl)ccc5[C@@H]34)cc2)CC1 ZINC000598987599 1036833167 /nfs/dbraw/zinc/83/31/67/1036833167.db2.gz RXXYEPQGYJLVPH-XUVXKRRUSA-N 1 0 334.850 4.323 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CC2CCCCC2)c1 ZINC000603457162 1036844217 /nfs/dbraw/zinc/84/42/17/1036844217.db2.gz DPKHXPPCNWTPMB-UHFFFAOYSA-N 1 0 341.499 4.062 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c(OC)c1 ZINC000598994696 1036846332 /nfs/dbraw/zinc/84/63/32/1036846332.db2.gz GYOCKOJOXTWLJS-HNNXBMFYSA-N 1 0 338.451 4.356 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000486780925 1036851100 /nfs/dbraw/zinc/85/11/00/1036851100.db2.gz LQPSDGQFWDWRRG-QGZVFWFLSA-N 1 0 345.512 4.383 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)s1 ZINC000486790774 1036853918 /nfs/dbraw/zinc/85/39/18/1036853918.db2.gz YXFCZIJFIACZBL-UHFFFAOYSA-N 1 0 339.395 4.236 20 30 EIEDRO C=CCOc1ccc(CNCCC[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000589637007 1036855275 /nfs/dbraw/zinc/85/52/75/1036855275.db2.gz XOPDCAHICOWXJL-MRXNPFEDSA-N 1 0 336.907 4.259 20 30 EIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C12CCC2 ZINC000486802875 1036863795 /nfs/dbraw/zinc/86/37/95/1036863795.db2.gz XLIOSCWHFPYMIP-RTBURBONSA-N 1 0 326.484 4.267 20 30 EIEDRO CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593693051 1036892658 /nfs/dbraw/zinc/89/26/58/1036892658.db2.gz NBZZASGSAWSYAL-DYESRHJHSA-N 1 0 325.500 4.081 20 30 EIEDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc21 ZINC000593690021 1036895085 /nfs/dbraw/zinc/89/50/85/1036895085.db2.gz KUZNLYOFRYMMJP-PMACEKPBSA-N 1 0 348.446 4.218 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)c1 ZINC000593691797 1036895857 /nfs/dbraw/zinc/89/58/57/1036895857.db2.gz LYKAXJXMTVMKKN-UHFFFAOYSA-N 1 0 345.490 4.190 20 30 EIEDRO CC1=C[C@H](C)C[C@H](C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593693148 1036898224 /nfs/dbraw/zinc/89/82/24/1036898224.db2.gz QTNRVRIVLDOKSX-UWJYYQICSA-N 1 0 337.511 4.105 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3coc4ccccc34)CC2)c1 ZINC000593693349 1036899249 /nfs/dbraw/zinc/89/92/49/1036899249.db2.gz VTDIDIZJZXFVQP-UHFFFAOYSA-N 1 0 345.446 4.059 20 30 EIEDRO C[N@@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000589984371 1036922696 /nfs/dbraw/zinc/92/26/96/1036922696.db2.gz QYBQLLIHLZXNOZ-GHTZIAJQSA-N 1 0 338.426 4.297 20 30 EIEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593719273 1036928848 /nfs/dbraw/zinc/92/88/48/1036928848.db2.gz AWESPTIIZJBCBA-SBUREZEXSA-N 1 0 345.490 4.046 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cccnc1 ZINC000593722795 1036937304 /nfs/dbraw/zinc/93/73/04/1036937304.db2.gz RARMVWBAQYPDNX-JOCHJYFZSA-N 1 0 348.494 4.049 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccsc1 ZINC000593726348 1036954307 /nfs/dbraw/zinc/95/43/07/1036954307.db2.gz YMZAZKKLGQICIJ-HXUWFJFHSA-N 1 0 339.508 4.325 20 30 EIEDRO COCc1ccccc1/C=C(/C)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000590068457 1036971429 /nfs/dbraw/zinc/97/14/29/1036971429.db2.gz VQPFBZRTEBHJEA-KLZTUXMASA-N 1 0 332.447 4.385 20 30 EIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000599357415 1036974961 /nfs/dbraw/zinc/97/49/61/1036974961.db2.gz TXDCSYDBEHSYLD-IAGOWNOFSA-N 1 0 334.891 4.462 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C(C)C ZINC000599364804 1036981196 /nfs/dbraw/zinc/98/11/96/1036981196.db2.gz ZCBASAGEZUAMGH-QAPCUYQASA-N 1 0 326.440 4.083 20 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CC(C)(COCc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594935343 1038494575 /nfs/dbraw/zinc/49/45/75/1038494575.db2.gz CXMBHJFHUCMXKS-UHFFFAOYSA-N 1 0 334.463 4.327 20 30 EIEDRO C[C@H]([NH2+]Cc1cnn2c1CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000594945248 1038525025 /nfs/dbraw/zinc/52/50/25/1038525025.db2.gz WWFADWNWHIGOIS-INIZCTEOSA-N 1 0 342.446 4.219 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000424177343 1038671324 /nfs/dbraw/zinc/67/13/24/1038671324.db2.gz ZVZRCOGLADYEGG-BBRMVZONSA-N 1 0 334.872 4.144 20 30 EIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCCc2nc(C)sc21)C(C)C ZINC000480765320 1038789089 /nfs/dbraw/zinc/78/90/89/1038789089.db2.gz ZHFGQZSKMRLVJQ-SJLPKXTDSA-N 1 0 333.545 4.117 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424315647 1038801659 /nfs/dbraw/zinc/80/16/59/1038801659.db2.gz PQOXAEUONNSEHE-IBGZPJMESA-N 1 0 341.524 4.057 20 30 EIEDRO Cc1nc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(Cl)cc1C#N ZINC000461944861 1038830452 /nfs/dbraw/zinc/83/04/52/1038830452.db2.gz CEONEJIXDRXUKT-GOEBONIOSA-N 1 0 346.906 4.006 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000539089106 1038831562 /nfs/dbraw/zinc/83/15/62/1038831562.db2.gz KRURMYYRBMGNHP-AWEZNQCLSA-N 1 0 333.353 4.416 20 30 EIEDRO CC[N@H+](CC(C)(C)CCC#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000119031563 1038853004 /nfs/dbraw/zinc/85/30/04/1038853004.db2.gz AXLZADADQGSMSN-AZUAARDMSA-N 1 0 327.516 4.474 20 30 EIEDRO Cc1cc(C[NH3+])cc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000424428581 1038857183 /nfs/dbraw/zinc/85/71/83/1038857183.db2.gz UDSLAKWXYFZJLH-LJQANCHMSA-N 1 0 336.439 4.010 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1OC(F)F ZINC000174264688 1038885872 /nfs/dbraw/zinc/88/58/72/1038885872.db2.gz BXLGARRWCXSSDL-INIZCTEOSA-N 1 0 346.377 4.409 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000505017214 1038889588 /nfs/dbraw/zinc/88/95/88/1038889588.db2.gz SIHQDKXIYUKPIY-GOSISDBHSA-N 1 0 331.504 4.293 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000505022665 1038892034 /nfs/dbraw/zinc/89/20/34/1038892034.db2.gz GTTUEJOVUJCXFP-UHFFFAOYSA-N 1 0 341.499 4.287 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1cccc(C#N)c1 ZINC000608780123 1038896185 /nfs/dbraw/zinc/89/61/85/1038896185.db2.gz BLXQBWYINZFOMO-UHFFFAOYSA-N 1 0 349.409 4.417 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000505046359 1038899872 /nfs/dbraw/zinc/89/98/72/1038899872.db2.gz SFDAMHNZGLXQRN-SFHVURJKSA-N 1 0 329.488 4.143 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000505034630 1038907254 /nfs/dbraw/zinc/90/72/54/1038907254.db2.gz FMFFGYYBUCMWDN-SJLPKXTDSA-N 1 0 329.488 4.142 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000505057868 1038926103 /nfs/dbraw/zinc/92/61/03/1038926103.db2.gz MPULREKFDBEQKH-IRXDYDNUSA-N 1 0 329.488 4.190 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539296624 1038945278 /nfs/dbraw/zinc/94/52/78/1038945278.db2.gz CLQJRVADMOGCHG-AEFFLSMTSA-N 1 0 343.442 4.240 20 30 EIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCc2ccncc2)cc1 ZINC000462158083 1038975594 /nfs/dbraw/zinc/97/55/94/1038975594.db2.gz QPMCFMVRANWYIW-UHFFFAOYSA-N 1 0 344.462 4.190 20 30 EIEDRO COc1ccc([C@H](C)CC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000174507479 1038981558 /nfs/dbraw/zinc/98/15/58/1038981558.db2.gz MESONMKJMDHJMV-SJORKVTESA-N 1 0 338.451 4.269 20 30 EIEDRO N#CC1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000057879180 1039014465 /nfs/dbraw/zinc/01/44/65/1039014465.db2.gz MZCJUMXTLWPALR-UHFFFAOYSA-N 1 0 349.434 4.043 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000539389174 1039047011 /nfs/dbraw/zinc/04/70/11/1039047011.db2.gz XYUUFBGWDPNHDE-GOSISDBHSA-N 1 0 335.536 4.029 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539388883 1039047595 /nfs/dbraw/zinc/04/75/95/1039047595.db2.gz VZFHFAJYJDFDOR-BJLQDIEVSA-N 1 0 343.515 4.084 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2csc(C(F)(F)F)n2)c1 ZINC000899378448 1039071326 /nfs/dbraw/zinc/07/13/26/1039071326.db2.gz QDAIMKPDYGFFTI-VOTSOKGWSA-N 1 0 340.370 4.120 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000424767431 1039075583 /nfs/dbraw/zinc/07/55/83/1039075583.db2.gz LBJLHDCVQUEZSC-MJGOQNOKSA-N 1 0 328.500 4.006 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccc(Cl)s1 ZINC000058490893 1039134196 /nfs/dbraw/zinc/13/41/96/1039134196.db2.gz SUVDBJHKFNXOIO-UHFFFAOYSA-N 1 0 334.872 4.418 20 30 EIEDRO C[C@@](O)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCCC1 ZINC000477868589 1039139386 /nfs/dbraw/zinc/13/93/86/1039139386.db2.gz XNTPVQDXTSIXIB-ATKRNPRHSA-N 1 0 340.511 4.311 20 30 EIEDRO C=CCC[C@H](CC)[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477863519 1039143240 /nfs/dbraw/zinc/14/32/40/1039143240.db2.gz OVPVBYFTBTUELM-INIZCTEOSA-N 1 0 344.480 4.431 20 30 EIEDRO COc1ccc(Oc2ccc(CC[NH2+]C[C@@H](C#N)CCC#N)cc2)cc1 ZINC000555417410 1039184397 /nfs/dbraw/zinc/18/43/97/1039184397.db2.gz OMNLMOZFUGVIRQ-GOSISDBHSA-N 1 0 349.434 4.063 20 30 EIEDRO COc1ccc(C[NH+]2CCC(C(C)C)CC2)cc1OCCCC#N ZINC000537632582 1039228739 /nfs/dbraw/zinc/22/87/39/1039228739.db2.gz FBDVUUSIQWFZPZ-UHFFFAOYSA-N 1 0 330.472 4.246 20 30 EIEDRO C=CCCC1(C(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)CC1 ZINC000476545033 1039262119 /nfs/dbraw/zinc/26/21/19/1039262119.db2.gz LGDIWYUAHWLUTG-UHFFFAOYSA-N 1 0 334.548 4.339 20 30 EIEDRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665098 1039270446 /nfs/dbraw/zinc/27/04/46/1039270446.db2.gz IPPVUGANEUGKKJ-RTWAWAEBSA-N 1 0 340.442 4.408 20 30 EIEDRO COc1ccc(C#N)cc1C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000481343712 1039321691 /nfs/dbraw/zinc/32/16/91/1039321691.db2.gz RMEZFSNYXWXHKV-HXUWFJFHSA-N 1 0 349.478 4.497 20 30 EIEDRO Cc1cccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1C ZINC000552252301 1039333750 /nfs/dbraw/zinc/33/37/50/1039333750.db2.gz IBMHJOBOGKCAJD-GOSISDBHSA-N 1 0 333.479 4.495 20 30 EIEDRO CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000552277483 1039353140 /nfs/dbraw/zinc/35/31/40/1039353140.db2.gz VZPSPAXRPKXTOF-UHFFFAOYSA-N 1 0 325.500 4.333 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccco1 ZINC000552280608 1039356913 /nfs/dbraw/zinc/35/69/13/1039356913.db2.gz MNJAVMRKWPNNIL-DZKIICNBSA-N 1 0 331.378 4.360 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000552319974 1039373887 /nfs/dbraw/zinc/37/38/87/1039373887.db2.gz VQYNZEBYWTZQEE-KRWDZBQOSA-N 1 0 333.435 4.288 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC000550818668 1039374100 /nfs/dbraw/zinc/37/41/00/1039374100.db2.gz PNTUEPLNCYNSKY-RBBKRZOGSA-N 1 0 336.479 4.177 20 30 EIEDRO C=C(C)[C@H](CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)OCC ZINC000534404443 1039392944 /nfs/dbraw/zinc/39/29/44/1039392944.db2.gz BIEUDBLHTFHLQM-XLIONFOSSA-N 1 0 344.499 4.371 20 30 EIEDRO Cc1cccc(C[NH+](Cc2cccc(C)n2)CC(C)(C)CCC#N)n1 ZINC000091894253 1039422073 /nfs/dbraw/zinc/42/20/73/1039422073.db2.gz CIDQWRKYLBBZOK-UHFFFAOYSA-N 1 0 336.483 4.426 20 30 EIEDRO CCCC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@H](C)C1 ZINC000555679294 1039518397 /nfs/dbraw/zinc/51/83/97/1039518397.db2.gz PANGZVXCFFWDRJ-GOEBONIOSA-N 1 0 333.501 4.239 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1OCCCC#N ZINC000092485821 1039550131 /nfs/dbraw/zinc/55/01/31/1039550131.db2.gz PVEDTNQLFQKBPR-MSOLQXFVSA-N 1 0 328.456 4.142 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000478222953 1039560852 /nfs/dbraw/zinc/56/08/52/1039560852.db2.gz DCHFPALRBKDBJC-ZDUSSCGKSA-N 1 0 340.298 4.492 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc4ccccc43)CC2)cc1 ZINC000550841019 1039571254 /nfs/dbraw/zinc/57/12/54/1039571254.db2.gz ZRRPTJSHEFMEOW-UHFFFAOYSA-N 1 0 341.458 4.470 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000092757854 1039583583 /nfs/dbraw/zinc/58/35/83/1039583583.db2.gz CQGSLHNVCAQSQG-FQEVSTJZSA-N 1 0 335.451 4.056 20 30 EIEDRO C=C[C@@H](CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000534605576 1039595462 /nfs/dbraw/zinc/59/54/62/1039595462.db2.gz UYFZRFWDRIKZAF-SIKLNZKXSA-N 1 0 348.490 4.300 20 30 EIEDRO CCCc1ccc([C@H]([NH2+]C[C@@H](O)CC2(C#N)CCC2)C(C)C)cc1 ZINC001168349750 1039607128 /nfs/dbraw/zinc/60/71/28/1039607128.db2.gz CGYSPQFOOQOGLB-VQTJNVASSA-N 1 0 328.500 4.371 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1c(C)nc2ccccn21)c1ccc(F)c(F)c1 ZINC000481621553 1039636417 /nfs/dbraw/zinc/63/64/17/1039636417.db2.gz KGCDSZHNVFAIFJ-IBGZPJMESA-N 1 0 327.378 4.328 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000478297449 1039645616 /nfs/dbraw/zinc/64/56/16/1039645616.db2.gz AOHJKDHYZSEEJT-PMACEKPBSA-N 1 0 334.467 4.017 20 30 EIEDRO C[NH+](C)CCCCC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000552553261 1039651552 /nfs/dbraw/zinc/65/15/52/1039651552.db2.gz IYVJMVICBFWTAU-UHFFFAOYSA-N 1 0 337.423 4.021 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000481678134 1039718594 /nfs/dbraw/zinc/71/85/94/1039718594.db2.gz PAXQWIQGMBYZHI-IBGZPJMESA-N 1 0 335.407 4.066 20 30 EIEDRO Cc1cccc(NC2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)c1 ZINC000093607740 1039726820 /nfs/dbraw/zinc/72/68/20/1039726820.db2.gz DBGBVORPSQAPEM-GOSISDBHSA-N 1 0 349.478 4.362 20 30 EIEDRO COC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000481676324 1039729469 /nfs/dbraw/zinc/72/94/69/1039729469.db2.gz ZVJXYQMSCOHILU-NHCUHLMSSA-N 1 0 338.426 4.442 20 30 EIEDRO C[C@H](O)C[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000481678826 1039733636 /nfs/dbraw/zinc/73/36/36/1039733636.db2.gz QMHMNJGQAPJMRH-LXBDKUERSA-N 1 0 348.490 4.470 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000093690039 1039735933 /nfs/dbraw/zinc/73/59/33/1039735933.db2.gz KHQJAXHTJKSEDN-RBUKOAKNSA-N 1 0 330.497 4.229 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000093690037 1039736349 /nfs/dbraw/zinc/73/63/49/1039736349.db2.gz KHQJAXHTJKSEDN-OALUTQOASA-N 1 0 330.497 4.229 20 30 EIEDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000093868664 1039762879 /nfs/dbraw/zinc/76/28/79/1039762879.db2.gz XGYYJERXAJXSAV-HKUYNNGSSA-N 1 0 332.513 4.475 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2cccc(F)c2)ccc1OC ZINC000060927314 1039778518 /nfs/dbraw/zinc/77/85/18/1039778518.db2.gz LDLLGURKWUPVBH-UHFFFAOYSA-N 1 0 329.415 4.122 20 30 EIEDRO C=CCOc1ccc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1Cl ZINC000537646971 1039802000 /nfs/dbraw/zinc/80/20/00/1039802000.db2.gz DZFCJBIWTROUOV-SFHVURJKSA-N 1 0 348.918 4.069 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 ZINC000035256367 1039856430 /nfs/dbraw/zinc/85/64/30/1039856430.db2.gz ZUQNZHZSDFKNMW-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 ZINC000035256368 1039860222 /nfs/dbraw/zinc/86/02/22/1039860222.db2.gz ZUQNZHZSDFKNMW-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000434788160 1039867942 /nfs/dbraw/zinc/86/79/42/1039867942.db2.gz XZURJOFSWQLKOA-KUQKPQIMSA-N 1 0 327.472 4.058 20 30 EIEDRO C=CC[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000924984976 1039881936 /nfs/dbraw/zinc/88/19/36/1039881936.db2.gz ZIYLILKJWKZEOJ-HXUWFJFHSA-N 1 0 341.886 4.064 20 30 EIEDRO N#CC1(CCC[NH+]2CCC(Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000281956310 1039889826 /nfs/dbraw/zinc/88/98/26/1039889826.db2.gz JZRRGWXKKNRXDT-UHFFFAOYSA-N 1 0 344.474 4.181 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+][C@H]3CCCC34CCCC4)CC2)nc1 ZINC000551086716 1039965894 /nfs/dbraw/zinc/96/58/94/1039965894.db2.gz BMNXNPZTQKBAAO-ACBHZAAOSA-N 1 0 339.483 4.346 20 30 EIEDRO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1CCCCC1 ZINC000514541569 1039978680 /nfs/dbraw/zinc/97/86/80/1039978680.db2.gz WAXTXGQFRINPBY-UHFFFAOYSA-N 1 0 347.890 4.099 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000478964328 1040045363 /nfs/dbraw/zinc/04/53/63/1040045363.db2.gz PXGGUUUIKXIHFV-LJQANCHMSA-N 1 0 344.380 4.243 20 30 EIEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000548160152 1040212379 /nfs/dbraw/zinc/21/23/79/1040212379.db2.gz ZOFYOIMCELXFCS-HOCLYGCPSA-N 1 0 333.501 4.124 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(COC(C)(C)CC)c1C ZINC000900963606 1040233927 /nfs/dbraw/zinc/23/39/27/1040233927.db2.gz ANWKESXCAQDIFP-UHFFFAOYSA-N 1 0 332.488 4.147 20 30 EIEDRO CCCOc1c(C[NH+]2CCC(CCC#N)CC2)cccc1OCC ZINC000514790854 1040236465 /nfs/dbraw/zinc/23/64/65/1040236465.db2.gz UGWOICAYCXQZJB-UHFFFAOYSA-N 1 0 330.472 4.390 20 30 EIEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000514801697 1040247331 /nfs/dbraw/zinc/24/73/31/1040247331.db2.gz YIVPHMANSIRVFF-KBPBESRZSA-N 1 0 338.282 4.198 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000477143417 1040255629 /nfs/dbraw/zinc/25/56/29/1040255629.db2.gz WZRSYEDBIBKXFP-OAHLLOKOSA-N 1 0 346.906 4.088 20 30 EIEDRO C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000535439877 1040271915 /nfs/dbraw/zinc/27/19/15/1040271915.db2.gz IXCGNLWLTCWDNB-IFMALSPDSA-N 1 0 348.490 4.079 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667484220 1040324958 /nfs/dbraw/zinc/32/49/58/1040324958.db2.gz DKCPUOPUBBMFFO-GOSISDBHSA-N 1 0 329.465 4.104 20 30 EIEDRO CO[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1cccc(Cl)c1 ZINC000174641668 1040325756 /nfs/dbraw/zinc/32/57/56/1040325756.db2.gz HUUPVXFDQBHOEB-KUHUBIRLSA-N 1 0 344.842 4.108 20 30 EIEDRO CCOCc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000425366059 1040345429 /nfs/dbraw/zinc/34/54/29/1040345429.db2.gz OJOABHNMBAZFQW-INIZCTEOSA-N 1 0 338.451 4.296 20 30 EIEDRO CC(C)n1ncc2cc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)cnc21 ZINC000425367048 1040347837 /nfs/dbraw/zinc/34/78/37/1040347837.db2.gz RTUYFRJUMCHZRQ-HNNXBMFYSA-N 1 0 333.439 4.077 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccs1 ZINC000160141220 1040372078 /nfs/dbraw/zinc/37/20/78/1040372078.db2.gz SGQHZYCECDWGIY-HIFRSBDPSA-N 1 0 329.444 4.078 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000477295870 1040387383 /nfs/dbraw/zinc/38/73/83/1040387383.db2.gz GIRRPJCNYMHCGJ-GFCCVEGCSA-N 1 0 329.787 4.013 20 30 EIEDRO CC#CCC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000462330614 1040481022 /nfs/dbraw/zinc/48/10/22/1040481022.db2.gz GPRZHKLTPYGSEP-UHFFFAOYSA-N 1 0 339.266 4.057 20 30 EIEDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000539499145 1040488958 /nfs/dbraw/zinc/48/89/58/1040488958.db2.gz ANPVBMAODQKLEK-JTSKRJEESA-N 1 0 333.479 4.046 20 30 EIEDRO C[C@@H](Nc1c(F)cc(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386257564 1040521848 /nfs/dbraw/zinc/52/18/48/1040521848.db2.gz FATQSCYVTVQLSN-PBHICJAKSA-N 1 0 341.405 4.159 20 30 EIEDRO C[N@H+](Cc1ccc(CC#N)cc1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000551734075 1040544126 /nfs/dbraw/zinc/54/41/26/1040544126.db2.gz ODLABQGTWXPOKE-JOCHJYFZSA-N 1 0 332.447 4.223 20 30 EIEDRO C=CCC[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1)c1ccccc1 ZINC000160519194 1040579653 /nfs/dbraw/zinc/57/96/53/1040579653.db2.gz GUNCACLFVRUBKI-QUCCMNQESA-N 1 0 343.515 4.067 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC(C)C)c(OCC)c1 ZINC000435736609 1040590392 /nfs/dbraw/zinc/59/03/92/1040590392.db2.gz YMDOUPDKDCDGPI-NQIIRXRSSA-N 1 0 347.499 4.191 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000435743141 1040595592 /nfs/dbraw/zinc/59/55/92/1040595592.db2.gz YUZUCCNPSSULKP-AEFFLSMTSA-N 1 0 328.481 4.189 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000551789463 1040603806 /nfs/dbraw/zinc/60/38/06/1040603806.db2.gz OMKMEHQFJKFMBH-IAOVAPTHSA-N 1 0 327.390 4.116 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000539607378 1040604639 /nfs/dbraw/zinc/60/46/39/1040604639.db2.gz LEHVDUFCHGQIDO-SUMWQHHRSA-N 1 0 343.833 4.280 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539607274 1040605560 /nfs/dbraw/zinc/60/55/60/1040605560.db2.gz INWJFMRATPBVPX-JXFKEZNVSA-N 1 0 337.442 4.013 20 30 EIEDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539609324 1040607279 /nfs/dbraw/zinc/60/72/79/1040607279.db2.gz FANKAEISGZNCBV-GJZGRUSLSA-N 1 0 342.414 4.072 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(NC3(c4cccc(C#N)c4)CC3)CC2)C1 ZINC000551811108 1040620964 /nfs/dbraw/zinc/62/09/64/1040620964.db2.gz FHFFYWDNACFWFJ-UTKZUKDTSA-N 1 0 337.511 4.180 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(CCC)CC[NH+]1CCCC1 ZINC000483036572 1040650064 /nfs/dbraw/zinc/65/00/64/1040650064.db2.gz QIJZDJABQUUNLN-UHFFFAOYSA-N 1 0 329.488 4.145 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)nc1 ZINC000554077505 1040783185 /nfs/dbraw/zinc/78/31/85/1040783185.db2.gz OCGUKNNPHDQINO-SJLPKXTDSA-N 1 0 345.368 4.398 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1OC ZINC000539851466 1040839543 /nfs/dbraw/zinc/83/95/43/1040839543.db2.gz WGXLUWDRFZEFAF-QFBILLFUSA-N 1 0 333.497 4.120 20 30 EIEDRO C[N@@H+](CC#Cc1ccccc1)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000483577442 1040896483 /nfs/dbraw/zinc/89/64/83/1040896483.db2.gz GUTULKWEZCBZPX-UHFFFAOYSA-N 1 0 347.437 4.132 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC000462763995 1040901266 /nfs/dbraw/zinc/90/12/66/1040901266.db2.gz SQEYZLHDXSQWIP-UHFFFAOYSA-N 1 0 336.435 4.048 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2C[C@H](OCC)C23CCC3)ccc1OC ZINC000462765595 1040903567 /nfs/dbraw/zinc/90/35/67/1040903567.db2.gz JDMXRKFCKIHXBG-PMACEKPBSA-N 1 0 345.483 4.087 20 30 EIEDRO COc1cc(F)cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000537961672 1040932123 /nfs/dbraw/zinc/93/21/23/1040932123.db2.gz SPPHVQWWYIPHTO-UHFFFAOYSA-N 1 0 338.426 4.328 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462788168 1040932884 /nfs/dbraw/zinc/93/28/84/1040932884.db2.gz FEGJGNWQXKLSFY-UHFFFAOYSA-N 1 0 336.435 4.146 20 30 EIEDRO C[C@@H](CCc1ccco1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537975767 1040942456 /nfs/dbraw/zinc/94/24/56/1040942456.db2.gz ATKBXRUPTIAKPF-VQSBYGRUSA-N 1 0 338.451 4.452 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000898515837 1040968210 /nfs/dbraw/zinc/96/82/10/1040968210.db2.gz GLXMCQYUJIOWPC-VQTJNVASSA-N 1 0 342.483 4.008 20 30 EIEDRO COc1cccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)c1 ZINC000537972959 1040977171 /nfs/dbraw/zinc/97/71/71/1040977171.db2.gz LILRLAQCKLQVHH-HNNXBMFYSA-N 1 0 326.465 4.151 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)c1 ZINC000539980790 1040994333 /nfs/dbraw/zinc/99/43/33/1040994333.db2.gz VOAGGBVNRDRBIJ-MGPUTAFESA-N 1 0 329.415 4.256 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1 ZINC000462819070 1040998001 /nfs/dbraw/zinc/99/80/01/1040998001.db2.gz WMAAEHCQBGRNAI-FXAWDEMLSA-N 1 0 337.442 4.265 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000436282250 1041027448 /nfs/dbraw/zinc/02/74/48/1041027448.db2.gz HDTFWHOEFBKDEO-XKQJLSEDSA-N 1 0 336.273 4.007 20 30 EIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(F)cc1 ZINC000161142810 1041028645 /nfs/dbraw/zinc/02/86/45/1041028645.db2.gz LSQFJCGKKDJIQI-UHFFFAOYSA-N 1 0 348.425 4.235 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1ccccc1Br ZINC000436287738 1041036730 /nfs/dbraw/zinc/03/67/30/1041036730.db2.gz CLXVIUUVVITBLV-XYPHTWIQSA-N 1 0 338.289 4.471 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000436314374 1041083858 /nfs/dbraw/zinc/08/38/58/1041083858.db2.gz NDULMMWYDJRACK-QIJUGHKUSA-N 1 0 348.446 4.488 20 30 EIEDRO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)c1ccccc1 ZINC000538152702 1041094559 /nfs/dbraw/zinc/09/45/59/1041094559.db2.gz GATDOSNLRQVOIV-HNNXBMFYSA-N 1 0 346.434 4.064 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000462913412 1041095791 /nfs/dbraw/zinc/09/57/91/1041095791.db2.gz ZIDJYLCWDCOWFR-SFHVURJKSA-N 1 0 340.442 4.007 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC#Cc4ccccc4)C3)nc2c1 ZINC000484083269 1041112791 /nfs/dbraw/zinc/11/27/91/1041112791.db2.gz UDGUQDNNHNUGIH-IBGZPJMESA-N 1 0 329.447 4.102 20 30 EIEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000538186719 1041146838 /nfs/dbraw/zinc/14/68/38/1041146838.db2.gz BBXMFRMBWVFZKY-LJQANCHMSA-N 1 0 341.842 4.137 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000538194961 1041158999 /nfs/dbraw/zinc/15/89/99/1041158999.db2.gz QUMNZDWFRBGIMQ-PKOBYXMFSA-N 1 0 325.452 4.101 20 30 EIEDRO Cn1cc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)cc1C#N ZINC000480280308 1041171621 /nfs/dbraw/zinc/17/16/21/1041171621.db2.gz GBNFTHMEASPKBT-UHFFFAOYSA-N 1 0 347.384 4.475 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000538222960 1041179526 /nfs/dbraw/zinc/17/95/26/1041179526.db2.gz FINXADSVZRBZPG-NQIIRXRSSA-N 1 0 339.866 4.449 20 30 EIEDRO Clc1ccccc1C#CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000538233600 1041203521 /nfs/dbraw/zinc/20/35/21/1041203521.db2.gz UVVPODYILXAUPK-LAUBAEHRSA-N 1 0 339.866 4.449 20 30 EIEDRO Cn1cc(CC[NH2+]Cc2ccc(C#N)cc2F)c2ccc(Cl)cc21 ZINC000436401792 1041205607 /nfs/dbraw/zinc/20/56/07/1041205607.db2.gz XUQWNAMQTAILSM-UHFFFAOYSA-N 1 0 341.817 4.175 20 30 EIEDRO Cc1ccncc1[C@@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000540175755 1041222327 /nfs/dbraw/zinc/22/23/27/1041222327.db2.gz MUTKDJRYBOTWSM-IPJUCJBFSA-N 1 0 335.451 4.303 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000161491326 1041236768 /nfs/dbraw/zinc/23/67/68/1041236768.db2.gz STOOTIBKWBGIFK-LJQANCHMSA-N 1 0 339.435 4.264 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1c(C)cc(C#N)cc1C ZINC000903995276 1041254122 /nfs/dbraw/zinc/25/41/22/1041254122.db2.gz HRRQPCGYZXFWJX-UHFFFAOYSA-N 1 0 347.462 4.332 20 30 EIEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(Cl)cccc1C#N ZINC000463062606 1041297428 /nfs/dbraw/zinc/29/74/28/1041297428.db2.gz ATFJZCZEHPHVDQ-KRWDZBQOSA-N 1 0 339.870 4.170 20 30 EIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000463091187 1041328666 /nfs/dbraw/zinc/32/86/66/1041328666.db2.gz ZMIBDXGAVPBKLB-INIZCTEOSA-N 1 0 342.874 4.070 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)cc1 ZINC000538487443 1041382812 /nfs/dbraw/zinc/38/28/12/1041382812.db2.gz HLKFZYRSBIIXKT-YWZLYKJASA-N 1 0 329.415 4.256 20 30 EIEDRO C=CCCC[C@H](C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000540349904 1041391396 /nfs/dbraw/zinc/39/13/96/1041391396.db2.gz NJRPHEYQARQJMS-HNNXBMFYSA-N 1 0 333.451 4.156 20 30 EIEDRO C[C@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc(C#N)c(F)c1 ZINC000538508233 1041396183 /nfs/dbraw/zinc/39/61/83/1041396183.db2.gz CZTHBXACEFXAIG-HNNXBMFYSA-N 1 0 349.409 4.365 20 30 EIEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000540347596 1041405118 /nfs/dbraw/zinc/40/51/18/1041405118.db2.gz KXPFDXWQZSMJQR-AWEZNQCLSA-N 1 0 346.377 4.279 20 30 EIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000540401975 1041432251 /nfs/dbraw/zinc/43/22/51/1041432251.db2.gz QBTQUEXPOAXEBV-INIZCTEOSA-N 1 0 334.529 4.262 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1 ZINC000540406361 1041435817 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NVIZHISDXSRAOD-ZTFGCOKTSA-N 1 0 349.881 4.115 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480713389 1041492781 /nfs/dbraw/zinc/49/27/81/1041492781.db2.gz LYECUFXONWUJRX-CLCXKQKWSA-N 1 0 331.891 4.049 20 30 EIEDRO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000538734357 1041505959 /nfs/dbraw/zinc/50/59/59/1041505959.db2.gz STUVGKPNIODOCS-INIZCTEOSA-N 1 0 333.907 4.349 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1-n1cccn1 ZINC000516352779 1041542179 /nfs/dbraw/zinc/54/21/79/1041542179.db2.gz DNNZTOZVRUQPIO-MGPUTAFESA-N 1 0 328.419 4.082 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@H](CC(C)C)c2cccs2)c(C#N)c1C ZINC000544451154 1041543882 /nfs/dbraw/zinc/54/38/82/1041543882.db2.gz ARRURNFMGDUEND-OAHLLOKOSA-N 1 0 345.468 4.145 20 30 EIEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540591060 1041548152 /nfs/dbraw/zinc/54/81/52/1041548152.db2.gz FFZIVOYRINLVMC-FCHUYYIVSA-N 1 0 339.527 4.327 20 30 EIEDRO Cc1nc(-c2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)cs1 ZINC000540595387 1041550821 /nfs/dbraw/zinc/55/08/21/1041550821.db2.gz GGJOGBIDDUTQAC-UHFFFAOYSA-N 1 0 325.462 4.342 20 30 EIEDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1(C)C ZINC000540609752 1041562548 /nfs/dbraw/zinc/56/25/48/1041562548.db2.gz ZHIWDEUDQKYIDG-MMYGOJQISA-N 1 0 326.484 4.040 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)cc1 ZINC000538879369 1041572654 /nfs/dbraw/zinc/57/26/54/1041572654.db2.gz QJOBKEWYWCJFMP-QRWLVFNGSA-N 1 0 329.415 4.256 20 30 EIEDRO CC[N@H+](CCC1CCN(c2ccc(F)cc2C#N)CC1)CC1CC1 ZINC000538928564 1041580343 /nfs/dbraw/zinc/58/03/43/1041580343.db2.gz UGCUZGNQXLKASL-UHFFFAOYSA-N 1 0 329.463 4.036 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540705546 1041605116 /nfs/dbraw/zinc/60/51/16/1041605116.db2.gz MSZRCPJICFCJSE-JMERFSKESA-N 1 0 330.378 4.263 20 30 EIEDRO C[C@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc(C#N)c(F)c1 ZINC000540705461 1041605392 /nfs/dbraw/zinc/60/53/92/1041605392.db2.gz HUAVNDWIJZNAFQ-AWEZNQCLSA-N 1 0 339.414 4.265 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540710211 1041619292 /nfs/dbraw/zinc/61/92/92/1041619292.db2.gz LPQNLOQRHSZMMI-JKSUJKDBSA-N 1 0 326.415 4.201 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000437081583 1041630122 /nfs/dbraw/zinc/63/01/22/1041630122.db2.gz YFOWYRQFDCPSPS-IHJVYAAUSA-N 1 0 339.483 4.202 20 30 EIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000516702080 1041713370 /nfs/dbraw/zinc/71/33/70/1041713370.db2.gz HLVLADPZPGBSOR-UHFFFAOYSA-N 1 0 330.435 4.123 20 30 EIEDRO CCOc1cc(C[NH+]2CCC(CC#N)CC2)ccc1OCC(C)C ZINC000540993953 1041763663 /nfs/dbraw/zinc/76/36/63/1041763663.db2.gz RHGAVCZYDRXYJZ-UHFFFAOYSA-N 1 0 330.472 4.246 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CCC2)c(OC(F)F)c1 ZINC000437404235 1041789497 /nfs/dbraw/zinc/78/94/97/1041789497.db2.gz MUYRIDJYLITLCC-UHFFFAOYSA-N 1 0 328.362 4.329 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@@H]1c1ccccc1 ZINC000437576351 1041844681 /nfs/dbraw/zinc/84/46/81/1041844681.db2.gz CCMOPDNVRPBDJC-VQIMIIECSA-N 1 0 340.492 4.098 20 30 EIEDRO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccc(CC#N)cc3)[C@H](C)CO2)c1 ZINC000541348252 1041898491 /nfs/dbraw/zinc/89/84/91/1041898491.db2.gz BHJYFXUOKXZVJA-XMSQKQJNSA-N 1 0 334.463 4.332 20 30 EIEDRO Cc1c(Cl)cnc(NC2CC[NH+](C3CCCCC3)CC2)c1C#N ZINC000541350415 1041900864 /nfs/dbraw/zinc/90/08/64/1041900864.db2.gz ZCZWTNQCLSLXJU-UHFFFAOYSA-N 1 0 332.879 4.124 20 30 EIEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000438057942 1042033912 /nfs/dbraw/zinc/03/39/12/1042033912.db2.gz WBJQMIKUBCZIJV-LAUBAEHRSA-N 1 0 344.499 4.086 20 30 EIEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000438063853 1042036172 /nfs/dbraw/zinc/03/61/72/1042036172.db2.gz DIYBQODJFMTOMX-UTKZUKDTSA-N 1 0 344.499 4.228 20 30 EIEDRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cc(C#N)cs1 ZINC000151187318 1042080074 /nfs/dbraw/zinc/08/00/74/1042080074.db2.gz XNXWXHBOGDTIKK-NSHDSACASA-N 1 0 335.270 4.103 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000464648758 1042096930 /nfs/dbraw/zinc/09/69/30/1042096930.db2.gz SOYBNZHKFUULAD-QZTJIDSGSA-N 1 0 328.500 4.137 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000464658533 1042111205 /nfs/dbraw/zinc/11/12/05/1042111205.db2.gz VXEFQKBOYUMTIN-MSOLQXFVSA-N 1 0 328.500 4.280 20 30 EIEDRO Cn1cc(C[N@@H+]2CCCC3(CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000438370398 1042153053 /nfs/dbraw/zinc/15/30/53/1042153053.db2.gz GXRHWRUPBXSPSM-UHFFFAOYSA-N 1 0 334.467 4.115 20 30 EIEDRO CC(C)C[C@H](CNC(=O)c1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000517713400 1042155161 /nfs/dbraw/zinc/15/51/61/1042155161.db2.gz FBNFYJCTGQBEOF-LAUBAEHRSA-N 1 0 349.478 4.054 20 30 EIEDRO N#Cc1ccc(OCC[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000464778957 1042160744 /nfs/dbraw/zinc/16/07/44/1042160744.db2.gz XDVUCTVMSQMKAI-SFHVURJKSA-N 1 0 338.476 4.051 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+]C3CCC(c4ccc(F)cc4)CC3)n2c1 ZINC000541920784 1042173257 /nfs/dbraw/zinc/17/32/57/1042173257.db2.gz ONEVZTGEYLXFRP-UHFFFAOYSA-N 1 0 348.425 4.161 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCOCCc1ccccc1 ZINC000464818143 1042176200 /nfs/dbraw/zinc/17/62/00/1042176200.db2.gz KELOSUBCMFMBLB-GOTSBHOMSA-N 1 0 348.490 4.408 20 30 EIEDRO C=CCC[N@@H+](C)Cc1cc(Br)c(OCC=C)c(OC)c1 ZINC000467371470 1042212626 /nfs/dbraw/zinc/21/26/26/1042212626.db2.gz VUHGSUGKCLUTAH-UHFFFAOYSA-N 1 0 340.261 4.030 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)cc(OC)c1O ZINC000506260621 1042217785 /nfs/dbraw/zinc/21/77/85/1042217785.db2.gz XWUGTPKYWXHSRQ-AWEZNQCLSA-N 1 0 329.415 4.461 20 30 EIEDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005369 1042227441 /nfs/dbraw/zinc/22/74/41/1042227441.db2.gz IYRVAYHTXXWBKG-DLBZAZTESA-N 1 0 349.478 4.133 20 30 EIEDRO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(CCC#N)CC1 ZINC000517930850 1042268812 /nfs/dbraw/zinc/26/88/12/1042268812.db2.gz ODBMLBMPSSPBNZ-ZDUSSCGKSA-N 1 0 344.846 4.467 20 30 EIEDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340438678 1042304327 /nfs/dbraw/zinc/30/43/27/1042304327.db2.gz AFIXGVPJZKKKJF-NQIIRXRSSA-N 1 0 349.478 4.453 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000518015453 1042313046 /nfs/dbraw/zinc/31/30/46/1042313046.db2.gz RCSHUXPZIJZLIR-KRWDZBQOSA-N 1 0 332.325 4.234 20 30 EIEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000509554155 1042362736 /nfs/dbraw/zinc/36/27/36/1042362736.db2.gz PYURUMVJAUXKHV-MRXNPFEDSA-N 1 0 347.462 4.493 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCc3c4cc(C)ccc4[nH]c32)CC1 ZINC000438835093 1042375852 /nfs/dbraw/zinc/37/58/52/1042375852.db2.gz JXGCYSGXRYVNNZ-OAQYLSRUSA-N 1 0 337.511 4.484 20 30 EIEDRO C=CC[N@H+](CCCc1nc(-c2cccs2)no1)CCc1ccco1 ZINC000491343351 1042412295 /nfs/dbraw/zinc/41/22/95/1042412295.db2.gz NRPXMSOVVGAFOH-UHFFFAOYSA-N 1 0 343.452 4.054 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000518248242 1042428818 /nfs/dbraw/zinc/42/88/18/1042428818.db2.gz ODNGZQRBDZGJNW-FQEVSTJZSA-N 1 0 340.467 4.161 20 30 EIEDRO C=CC[N@@H+](Cc1nc(-c2ccc(OC)cc2)no1)CC1CCCCC1 ZINC000303498810 1042450477 /nfs/dbraw/zinc/45/04/77/1042450477.db2.gz XYPDZSLQINRORI-UHFFFAOYSA-N 1 0 341.455 4.314 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+]C(C)(C)c2ccccc2C)c(C#N)c1C ZINC000549867695 1042455388 /nfs/dbraw/zinc/45/53/88/1042455388.db2.gz AOQAWRVQWHSTOP-UHFFFAOYSA-N 1 0 341.480 4.008 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)[C@H](OC)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000518304225 1042458456 /nfs/dbraw/zinc/45/84/56/1042458456.db2.gz GCSMYGHWJONQOS-JHVJFLLYSA-N 1 0 338.451 4.384 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(C3CC3)cc2F)cc(OC)c1O ZINC000491535082 1042463893 /nfs/dbraw/zinc/46/38/93/1042463893.db2.gz YEQKQRMEHJFUOO-UHFFFAOYSA-N 1 0 341.426 4.436 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1)C1CC1 ZINC000439084840 1042493873 /nfs/dbraw/zinc/49/38/73/1042493873.db2.gz HPWFKHYJQCGGJF-JOCHJYFZSA-N 1 0 347.506 4.479 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1 ZINC000492107291 1042557384 /nfs/dbraw/zinc/55/73/84/1042557384.db2.gz OYPKWMPCFDPFSW-AUUYWEPGSA-N 1 0 329.465 4.105 20 30 EIEDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000492101295 1042559739 /nfs/dbraw/zinc/55/97/39/1042559739.db2.gz BDIMZJWFYWEODH-UZLBHIALSA-N 1 0 340.492 4.157 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000296323693 1042574790 /nfs/dbraw/zinc/57/47/90/1042574790.db2.gz GXCUHSXXAXRIFJ-IPYPFGDCSA-N 1 0 326.362 4.361 20 30 EIEDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000518607840 1042585678 /nfs/dbraw/zinc/58/56/78/1042585678.db2.gz QVBFGLIKLDSNOF-CQSZACIVSA-N 1 0 330.378 4.046 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c(Cl)c1 ZINC000439444000 1042628388 /nfs/dbraw/zinc/62/83/88/1042628388.db2.gz OCWRLBNVMBRGGJ-JXFKEZNVSA-N 1 0 340.854 4.469 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2Cl)C2CC2)cc1 ZINC000439460569 1042631330 /nfs/dbraw/zinc/63/13/30/1042631330.db2.gz YOVSMKCNIBTORB-LJQANCHMSA-N 1 0 326.827 4.461 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439448225 1042633225 /nfs/dbraw/zinc/63/32/25/1042633225.db2.gz ZVLSGUYEVKLGRT-AEFFLSMTSA-N 1 0 345.918 4.298 20 30 EIEDRO CCc1oc(C(=O)OC)cc1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000426398482 1042658783 /nfs/dbraw/zinc/65/87/83/1042658783.db2.gz WWPFMFVFNXGIKO-AWEZNQCLSA-N 1 0 340.423 4.083 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000518769229 1042683862 /nfs/dbraw/zinc/68/38/62/1042683862.db2.gz HWTBLPJOXDAWCY-NQIIRXRSSA-N 1 0 338.426 4.149 20 30 EIEDRO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518817955 1042709203 /nfs/dbraw/zinc/70/92/03/1042709203.db2.gz PWHNOEMFJBQWFR-KZFLWGQDSA-N 1 0 349.453 4.359 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cccc(C)c2Br)ccc1C#N ZINC000443980861 1042716862 /nfs/dbraw/zinc/71/68/62/1042716862.db2.gz BNWLIQFHUHZGLF-UHFFFAOYSA-N 1 0 329.241 4.227 20 30 EIEDRO CCc1nc(C)c([C@@H](C)N(C)Cc2cc(C#N)ccc2OC)s1 ZINC000153177350 1042720063 /nfs/dbraw/zinc/72/00/63/1042720063.db2.gz QNTGLWTZCBYZNP-CYBMUJFWSA-N 1 0 329.469 4.087 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1Cl ZINC000439793580 1042769486 /nfs/dbraw/zinc/76/94/86/1042769486.db2.gz NUVLXHRDQNOYEW-SFHVURJKSA-N 1 0 335.875 4.296 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000518977874 1042779171 /nfs/dbraw/zinc/77/91/71/1042779171.db2.gz LQLARGNBUQCOEL-UHFFFAOYSA-N 1 0 342.389 4.316 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1C ZINC000519002866 1042785102 /nfs/dbraw/zinc/78/51/02/1042785102.db2.gz KHXFEQVOVYZBEU-VQIMIIECSA-N 1 0 341.499 4.061 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)CC1 ZINC000176523402 1042810314 /nfs/dbraw/zinc/81/03/14/1042810314.db2.gz PKHYTPQZEWHHBM-LJQANCHMSA-N 1 0 348.918 4.236 20 30 EIEDRO CC[C@@H](C)Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001168000706 1042836957 /nfs/dbraw/zinc/83/69/57/1042836957.db2.gz VNFMGTWKBFXVNN-GOSISDBHSA-N 1 0 348.494 4.349 20 30 EIEDRO C=CCOc1ccc(CN(Cc2nc(C3CC3)no2)C(C)(C)C)cc1 ZINC000131821792 1042841830 /nfs/dbraw/zinc/84/18/30/1042841830.db2.gz JFGFWIWTGQKFCM-UHFFFAOYSA-N 1 0 341.455 4.313 20 30 EIEDRO N#Cc1ccc(CN2CCOC3(CCCCC3)C2)c(C(F)(F)F)c1 ZINC000520558681 1042891316 /nfs/dbraw/zinc/89/13/16/1042891316.db2.gz ZODJGJBBMMIQHD-UHFFFAOYSA-N 1 0 338.373 4.112 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2CCC(C)C)c(C#N)c1C ZINC000493391822 1042899719 /nfs/dbraw/zinc/89/97/19/1042899719.db2.gz WVZVNZSFHZUUFM-QILLFSRXSA-N 1 0 345.487 4.290 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CCC2)C1 ZINC000442715166 1042958247 /nfs/dbraw/zinc/95/82/47/1042958247.db2.gz LKANQABRVZGAEX-CZUORRHYSA-N 1 0 333.273 4.153 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2OCC2CC2)cc1 ZINC000152754269 1042962638 /nfs/dbraw/zinc/96/26/38/1042962638.db2.gz NXQAAZIGDSEFHD-INIZCTEOSA-N 1 0 336.435 4.056 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000493846328 1042965003 /nfs/dbraw/zinc/96/50/03/1042965003.db2.gz PVOVZNQWOINRDA-HNNXBMFYSA-N 1 0 329.444 4.484 20 30 EIEDRO C[N@H+](Cc1cccc2[nH]ccc21)Cc1ccc(C#N)cc1OC(F)F ZINC000494049268 1043008484 /nfs/dbraw/zinc/00/84/84/1043008484.db2.gz NGEMYGZZIXNVPP-UHFFFAOYSA-N 1 0 341.361 4.273 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000152931530 1043022451 /nfs/dbraw/zinc/02/24/51/1043022451.db2.gz GNXLLIQYMFKKQR-LJQANCHMSA-N 1 0 341.543 4.368 20 30 EIEDRO N#CCN1CCC([NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000611519351 1043046557 /nfs/dbraw/zinc/04/65/57/1043046557.db2.gz YVMABYGXWLRVCC-HXUWFJFHSA-N 1 0 339.870 4.007 20 30 EIEDRO Cc1c(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cnn1C ZINC000542948123 1043056947 /nfs/dbraw/zinc/05/69/47/1043056947.db2.gz PAZRYYFVFULXES-OAHLLOKOSA-N 1 0 330.435 4.118 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000765953541 1043062526 /nfs/dbraw/zinc/06/25/26/1043062526.db2.gz FVDYHSPGZDVNBO-INIZCTEOSA-N 1 0 348.446 4.082 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2nc(C(F)F)nc3ccccc32)CC1 ZINC000066467207 1043070080 /nfs/dbraw/zinc/07/00/80/1043070080.db2.gz IUXLLQXXMCMQCW-UHFFFAOYSA-N 1 0 332.398 4.020 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000008268996 1043079191 /nfs/dbraw/zinc/07/91/91/1043079191.db2.gz DYODOZUMNVABQC-OAHLLOKOSA-N 1 0 329.403 4.001 20 30 EIEDRO CC#CCCCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000184319774 1043089096 /nfs/dbraw/zinc/08/90/96/1043089096.db2.gz UOLADQLGPUDXOG-UHFFFAOYSA-N 1 0 348.490 4.225 20 30 EIEDRO [NH2+]=C(NCC1(c2ccc(F)cc2Cl)CCCC1)Nc1ccccn1 ZINC000186866827 1043093154 /nfs/dbraw/zinc/09/31/54/1043093154.db2.gz ZOBOGZBFLQGCJF-UHFFFAOYSA-N 1 0 346.837 4.113 20 30 EIEDRO COc1ccc(Oc2cc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)ccn2)cc1 ZINC000185784930 1043220348 /nfs/dbraw/zinc/22/03/48/1043220348.db2.gz ZBMFMXZCYZRAMK-DOTOQJQBSA-N 1 0 337.423 4.054 20 30 EIEDRO C[C@H](C[N@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1)c1ccccc1 ZINC000727427985 1043220784 /nfs/dbraw/zinc/22/07/84/1043220784.db2.gz KYBMAOAULWFFMD-QGZVFWFLSA-N 1 0 330.435 4.115 20 30 EIEDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000554971958 1043227688 /nfs/dbraw/zinc/22/76/88/1043227688.db2.gz FHHTWUZMLLZBFZ-JKSUJKDBSA-N 1 0 340.389 4.260 20 30 EIEDRO CCCCCCCOc1ccc(C[NH2+]C2CCN(C(C)=O)CC2)cc1 ZINC000727644578 1043255791 /nfs/dbraw/zinc/25/57/91/1043255791.db2.gz PBEIXEOEUMQDQW-UHFFFAOYSA-N 1 0 346.515 4.136 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CCc2cccc(C#N)c2)ccc1SC ZINC000467432839 1043271853 /nfs/dbraw/zinc/27/18/53/1043271853.db2.gz FPSXYNMZNHLBKH-CQSZACIVSA-N 1 0 326.465 4.182 20 30 EIEDRO COCCCC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000065165069 1043280803 /nfs/dbraw/zinc/28/08/03/1043280803.db2.gz IVZAHDYJIDDYHC-UHFFFAOYSA-N 1 0 326.415 4.126 20 30 EIEDRO C=CCn1c(SCCC[NH+]2CCCCC2)nnc1-c1ccoc1C ZINC000187662268 1043366441 /nfs/dbraw/zinc/36/64/41/1043366441.db2.gz QPFQONZDJVEOIS-UHFFFAOYSA-N 1 0 346.500 4.001 20 30 EIEDRO C=C1CCN([C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000520850111 1043403575 /nfs/dbraw/zinc/40/35/75/1043403575.db2.gz FVZKKTBEVMQTAJ-LLVKDONJSA-N 1 0 346.780 4.338 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=S)Nc2c(CC)cccc2CC)CC1 ZINC000729942575 1043411344 /nfs/dbraw/zinc/41/13/44/1043411344.db2.gz NOHXXIGMSFJMND-UHFFFAOYSA-N 1 0 345.556 4.138 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1csc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000730018831 1043435684 /nfs/dbraw/zinc/43/56/84/1043435684.db2.gz AZZXZFRDUZUAEY-ZIAGYGMSSA-N 1 0 349.459 4.451 20 30 EIEDRO CC(C)Oc1cccc(C[NH2+]CCSCc2ccccc2C#N)c1 ZINC000520954141 1043455756 /nfs/dbraw/zinc/45/57/56/1043455756.db2.gz BLPNZRDZJTYLRU-UHFFFAOYSA-N 1 0 340.492 4.368 20 30 EIEDRO CC(C)(C)c1ccc2c(c1)C[N@@H+](CCCC1(C#N)CCOCC1)CC2 ZINC000499620491 1043460313 /nfs/dbraw/zinc/46/03/13/1043460313.db2.gz TVLQVICRZMKEHY-UHFFFAOYSA-N 1 0 340.511 4.443 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H](COc2ccccc2)c2ccccc2)c1 ZINC000520973245 1043470424 /nfs/dbraw/zinc/47/04/24/1043470424.db2.gz SFHGHWSWCKOWDI-JOCHJYFZSA-N 1 0 328.415 4.468 20 30 EIEDRO CC(C)N(CCC[NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000700566423 1043506098 /nfs/dbraw/zinc/50/60/98/1043506098.db2.gz BHILLCNXSFUWQF-INIZCTEOSA-N 1 0 345.487 4.244 20 30 EIEDRO Oc1ccccc1/C=N\C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000730547066 1043556249 /nfs/dbraw/zinc/55/62/49/1043556249.db2.gz MEYLOLAKBQQMRU-BKUYFWCQSA-N 1 0 328.843 4.129 20 30 EIEDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000494511878 1043561934 /nfs/dbraw/zinc/56/19/34/1043561934.db2.gz QRYPCYYVIGIGOD-NSHDSACASA-N 1 0 349.312 4.336 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033846 1043585805 /nfs/dbraw/zinc/58/58/05/1043585805.db2.gz QDSFUIFNVZUQRT-JLHGSKIFSA-N 1 0 333.479 4.359 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCc2ccncc2)Cc2cccc(F)c2)cc1 ZINC000171632766 1043634615 /nfs/dbraw/zinc/63/46/15/1043634615.db2.gz FVNOAXZLSXAJLS-UHFFFAOYSA-N 1 0 345.421 4.337 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2nc3ccccc3[nH]2)CC1 ZINC000733902091 1043646854 /nfs/dbraw/zinc/64/68/54/1043646854.db2.gz LINPUXOXURQFMU-KDOFPFPSSA-N 1 0 325.460 4.005 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(OC(F)(F)F)cc1 ZINC000171982751 1043701319 /nfs/dbraw/zinc/70/13/19/1043701319.db2.gz ACDSVYFIXBRGBK-LLVKDONJSA-N 1 0 338.304 4.447 20 30 EIEDRO COc1cccc(C[N@@H+](Cc2ccc(OCC#N)cc2)CC(C)C)c1 ZINC000731212167 1043713924 /nfs/dbraw/zinc/71/39/24/1043713924.db2.gz XIUJKFYWXMGWEM-UHFFFAOYSA-N 1 0 338.451 4.256 20 30 EIEDRO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000731212035 1043714828 /nfs/dbraw/zinc/71/48/28/1043714828.db2.gz OXIJSIOQCXNWRK-NRFANRHFSA-N 1 0 334.463 4.352 20 30 EIEDRO Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(C)c1 ZINC000731217798 1043722033 /nfs/dbraw/zinc/72/20/33/1043722033.db2.gz MWZCGEAAQQZMSG-IBGZPJMESA-N 1 0 335.495 4.374 20 30 EIEDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000521496430 1043804643 /nfs/dbraw/zinc/80/46/43/1043804643.db2.gz LGSWTWBJFQWIJA-FQEVSTJZSA-N 1 0 349.434 4.163 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCC2)C1 ZINC000442712688 1043815693 /nfs/dbraw/zinc/81/56/93/1043815693.db2.gz GVHCRMAIWGFAJB-BBRMVZONSA-N 1 0 333.273 4.153 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066898114 1043824129 /nfs/dbraw/zinc/82/41/29/1043824129.db2.gz PVKQSGIIMPQRRV-LJQANCHMSA-N 1 0 347.462 4.157 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)C1 ZINC000442787172 1043835371 /nfs/dbraw/zinc/83/53/71/1043835371.db2.gz CRZCYUPFTVUGAF-UWJYYQICSA-N 1 0 332.447 4.460 20 30 EIEDRO CC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)Oc1cccc(C(F)(F)F)c1 ZINC000442791775 1043840607 /nfs/dbraw/zinc/84/06/07/1043840607.db2.gz MOIBHSSSEJQIBQ-BPLDGKMQSA-N 1 0 326.362 4.145 20 30 EIEDRO COc1ccc(C2(C[NH2+][C@@H]3CC[C@H](C#N)C3)CCCCC2)cc1OC ZINC000442797732 1043844347 /nfs/dbraw/zinc/84/43/47/1043844347.db2.gz XLHYYFMBKVYOEW-FUHWJXTLSA-N 1 0 342.483 4.188 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1Cl ZINC000442863711 1043867585 /nfs/dbraw/zinc/86/75/85/1043867585.db2.gz ADYHITGJTDSBTN-QQFBHYJXSA-N 1 0 347.890 4.285 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000442869876 1043870408 /nfs/dbraw/zinc/87/04/08/1043870408.db2.gz QAXQVILYCQVCGQ-ZUEPYMLJSA-N 1 0 337.389 4.397 20 30 EIEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1OC ZINC000442870721 1043872385 /nfs/dbraw/zinc/87/23/85/1043872385.db2.gz VPBPYDMNRILGEP-JUVOFCAFSA-N 1 0 330.472 4.115 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000442853530 1043874738 /nfs/dbraw/zinc/87/47/38/1043874738.db2.gz HORRJAUZPIRVIZ-SNPRPXQTSA-N 1 0 338.282 4.244 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC000766072388 1043878420 /nfs/dbraw/zinc/87/84/20/1043878420.db2.gz HZKVZQYMCIMHPO-XKGZKEIXSA-N 1 0 329.484 4.191 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCO[C@H](c2cccs2)C1 ZINC000922163068 1043929019 /nfs/dbraw/zinc/92/90/19/1043929019.db2.gz ZBDZLRBLBIAYNI-AEFFLSMTSA-N 1 0 326.465 4.247 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCc3sccc3[C@@H]2C)c(O)c(OC)c1 ZINC000732526588 1043946835 /nfs/dbraw/zinc/94/68/35/1043946835.db2.gz IUESIIYWUMDGTD-ZDUSSCGKSA-N 1 0 329.465 4.310 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000521828215 1043997819 /nfs/dbraw/zinc/99/78/19/1043997819.db2.gz KNYWBUCVCZLNRK-WIYYLYMNSA-N 1 0 336.479 4.177 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000521882972 1044043415 /nfs/dbraw/zinc/04/34/15/1044043415.db2.gz VZPRNTRGMXWOIN-JSGCOSHPSA-N 1 0 341.333 4.067 20 30 EIEDRO C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000439127488 1044071516 /nfs/dbraw/zinc/07/15/16/1044071516.db2.gz JMRGCABYCYZTJH-BLLLJJGKSA-N 1 0 348.372 4.075 20 30 EIEDRO C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H](c1ccccc1)[NH+](C)C ZINC000439127490 1044077035 /nfs/dbraw/zinc/07/70/35/1044077035.db2.gz JMRGCABYCYZTJH-MLGOLLRUSA-N 1 0 348.372 4.075 20 30 EIEDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000543206839 1044126258 /nfs/dbraw/zinc/12/62/58/1044126258.db2.gz DGLLTXWFZQXVIR-AUSIDOKSSA-N 1 0 347.506 4.238 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1O ZINC000766114436 1044209769 /nfs/dbraw/zinc/20/97/69/1044209769.db2.gz DHRSDDOKSQYKEK-CYBMUJFWSA-N 1 0 343.389 4.294 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000174062139 1044215936 /nfs/dbraw/zinc/21/59/36/1044215936.db2.gz YUTRIHGQVCXCDW-HNNXBMFYSA-N 1 0 338.451 4.204 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000245966581 1044220477 /nfs/dbraw/zinc/22/04/77/1044220477.db2.gz ZBRXSFZNQQLZFD-NXXSPTCGSA-N 1 0 328.362 4.017 20 30 EIEDRO CCOc1cc(CCC[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000174112033 1044220946 /nfs/dbraw/zinc/22/09/46/1044220946.db2.gz XRQPCOFNEULKMJ-INIZCTEOSA-N 1 0 338.451 4.249 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)o1 ZINC000174259103 1044242399 /nfs/dbraw/zinc/24/23/99/1044242399.db2.gz IPMOQULCFRHCQS-UHFFFAOYSA-N 1 0 343.430 4.004 20 30 EIEDRO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)Oc1ccccc1F ZINC000174602036 1044292621 /nfs/dbraw/zinc/29/26/21/1044292621.db2.gz LWDYCKLBOMJKPM-MRXNPFEDSA-N 1 0 342.414 4.065 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(N=Nc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000733745804 1044297107 /nfs/dbraw/zinc/29/71/07/1044297107.db2.gz VBIVHZGBPFELME-WMLDXEAASA-N 1 0 330.432 4.037 20 30 EIEDRO CC(C)c1nc(C#N)c(N=NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)o1 ZINC000733746704 1044299510 /nfs/dbraw/zinc/29/95/10/1044299510.db2.gz ACJJXEGSPSROGH-HOCLYGCPSA-N 1 0 343.475 4.112 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000733800990 1044311407 /nfs/dbraw/zinc/31/14/07/1044311407.db2.gz PXZPVGJRIIDAQN-MRXNPFEDSA-N 1 0 346.377 4.259 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Br)cc1 ZINC000042335660 1044313687 /nfs/dbraw/zinc/31/36/87/1044313687.db2.gz QQWNEMSTDAOKBW-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccnc3ccccc23)c1 ZINC000733800700 1044317230 /nfs/dbraw/zinc/31/72/30/1044317230.db2.gz DNVFSAQTSVEFRN-SFHVURJKSA-N 1 0 331.419 4.206 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000116907826 1044317725 /nfs/dbraw/zinc/31/77/25/1044317725.db2.gz NZDCDZITPLNMLQ-OXQOHEQNSA-N 1 0 338.451 4.319 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)c1 ZINC000925413787 1044327280 /nfs/dbraw/zinc/32/72/80/1044327280.db2.gz IXBOCCKGDXGWTR-RDTXWAMCSA-N 1 0 341.842 4.193 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC001168758354 1044366906 /nfs/dbraw/zinc/36/69/06/1044366906.db2.gz QDBGEBHMCVIUIU-MEDUHNTESA-N 1 0 335.234 4.249 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000734159927 1044506555 /nfs/dbraw/zinc/50/65/55/1044506555.db2.gz RPKMQLBZKIMTDG-CQSZACIVSA-N 1 0 329.827 4.211 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000734159426 1044506738 /nfs/dbraw/zinc/50/67/38/1044506738.db2.gz NLVAFZHSHKULHS-UHFFFAOYSA-N 1 0 343.426 4.361 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000734159139 1044507168 /nfs/dbraw/zinc/50/71/68/1044507168.db2.gz HQTQDPSRGGGAAG-UHFFFAOYSA-N 1 0 335.447 4.092 20 30 EIEDRO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCSC1 ZINC000494939830 1044537136 /nfs/dbraw/zinc/53/71/36/1044537136.db2.gz KRIAWKBODBMXOK-GFCCVEGCSA-N 1 0 344.293 4.329 20 30 EIEDRO C=CC[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000494993445 1044586064 /nfs/dbraw/zinc/58/60/64/1044586064.db2.gz BNDZWPZLKQHTHC-FQEVSTJZSA-N 1 0 328.500 4.117 20 30 EIEDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000734477760 1044586497 /nfs/dbraw/zinc/58/64/97/1044586497.db2.gz SQBKGIVHHPSZRU-LAUBAEHRSA-N 1 0 342.446 4.257 20 30 EIEDRO C=CC[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000494999213 1044587755 /nfs/dbraw/zinc/58/77/55/1044587755.db2.gz NYORBSFSGOPFTL-SBHAEUEKSA-N 1 0 342.527 4.221 20 30 EIEDRO C[C@@H]1C[C@@H](NCC#Cc2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024256 1044607194 /nfs/dbraw/zinc/60/71/94/1044607194.db2.gz CWGJGZIOXQQKFW-JHDGKUDLSA-N 1 0 332.491 4.069 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc(C#N)c1 ZINC000495091722 1044663140 /nfs/dbraw/zinc/66/31/40/1044663140.db2.gz SVVCBPJUXDOSIU-CZUORRHYSA-N 1 0 343.833 4.280 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N/CCC[N@@H+]1CCc2ccccc2C1 ZINC000914701696 1044679649 /nfs/dbraw/zinc/67/96/49/1044679649.db2.gz MTLPONLWOSTXTN-LFVJCYFKSA-N 1 0 344.458 4.413 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)cc(OC)c1OC ZINC000237260968 1044683863 /nfs/dbraw/zinc/68/38/63/1044683863.db2.gz SMWIPIGPOBYSCF-KBXCAEBGSA-N 1 0 341.451 4.439 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000495118895 1044698152 /nfs/dbraw/zinc/69/81/52/1044698152.db2.gz NQDNDMLTBZUXCM-NRFANRHFSA-N 1 0 340.511 4.213 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000495118896 1044698463 /nfs/dbraw/zinc/69/84/63/1044698463.db2.gz NQDNDMLTBZUXCM-OAQYLSRUSA-N 1 0 340.511 4.213 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091887961 1044714315 /nfs/dbraw/zinc/71/43/15/1044714315.db2.gz JTVRZAKKXUUDBE-INIZCTEOSA-N 1 0 338.426 4.440 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000495145132 1044719726 /nfs/dbraw/zinc/71/97/26/1044719726.db2.gz AGIRCXKSRZYADN-UHFFFAOYSA-N 1 0 325.387 4.040 20 30 EIEDRO N#CCCn1cc(C[NH2+]C[C@]23C[C@H]2CCCC3)c(-c2ccccc2)n1 ZINC000922428054 1044721440 /nfs/dbraw/zinc/72/14/40/1044721440.db2.gz RLEPPEQGRBHKCD-CTNGQTDRSA-N 1 0 334.467 4.134 20 30 EIEDRO COc1cccc(Oc2ncccc2C[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000154068103 1044722646 /nfs/dbraw/zinc/72/26/46/1044722646.db2.gz LAVMMEVMSPUZTA-UHFFFAOYSA-N 1 0 345.402 4.044 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000474194430 1044777652 /nfs/dbraw/zinc/77/76/52/1044777652.db2.gz ODXLKFWJKUAEQB-WBVHZDCISA-N 1 0 342.405 4.027 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H](c3nccs3)C2)ccc1OC ZINC000895583668 1044815377 /nfs/dbraw/zinc/81/53/77/1044815377.db2.gz NHZGUNIXJPLVPP-INIZCTEOSA-N 1 0 344.480 4.096 20 30 EIEDRO Clc1ccccc1C#CCN1CCCO[C@@H](c2ccccc2)C1 ZINC000676714519 1044828065 /nfs/dbraw/zinc/82/80/65/1044828065.db2.gz LNLCOEILIMVDGL-HXUWFJFHSA-N 1 0 325.839 4.155 20 30 EIEDRO C=CCCC[C@H]([NH2+]Cc1cccn(C(F)F)c1=O)c1ccccc1 ZINC000895637048 1044834705 /nfs/dbraw/zinc/83/47/05/1044834705.db2.gz CZAIJJNLKNHDAI-KRWDZBQOSA-N 1 0 332.394 4.431 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2c(F)cccc2F)ccc1O ZINC000735614842 1044841975 /nfs/dbraw/zinc/84/19/75/1044841975.db2.gz CRUWRRQAZXSXAU-UHFFFAOYSA-N 1 0 347.409 4.348 20 30 EIEDRO CC(C)(COCc1ccccc1)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000390051707 1044851379 /nfs/dbraw/zinc/85/13/79/1044851379.db2.gz IVLQVBIQUBVVLU-UHFFFAOYSA-N 1 0 328.843 4.297 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](Nc2ccccc2)C(C)C)cc1 ZINC000735676087 1044853845 /nfs/dbraw/zinc/85/38/45/1044853845.db2.gz IDVXAOOXHMGVGA-JOCHJYFZSA-N 1 0 336.479 4.315 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000895788308 1044892538 /nfs/dbraw/zinc/89/25/38/1044892538.db2.gz OUOUDDCSBDDANC-KMFMINBZSA-N 1 0 338.373 4.142 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800073 1044894378 /nfs/dbraw/zinc/89/43/78/1044894378.db2.gz AJQHUCBCONYTLU-KSFYIVLOSA-N 1 0 346.430 4.119 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800074 1044894541 /nfs/dbraw/zinc/89/45/41/1044894541.db2.gz AJQHUCBCONYTLU-OPAMFIHVSA-N 1 0 346.430 4.119 20 30 EIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000237337524 1044895564 /nfs/dbraw/zinc/89/55/64/1044895564.db2.gz JNKSZJYSOFNJNP-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000895799083 1044899364 /nfs/dbraw/zinc/89/93/64/1044899364.db2.gz GWFPNBCVXIVBAR-ZDUSSCGKSA-N 1 0 341.282 4.224 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428974074 1044925207 /nfs/dbraw/zinc/92/52/07/1044925207.db2.gz HQTLDDQAEDIRIU-ZLGUVYLKSA-N 1 0 338.426 4.138 20 30 EIEDRO COc1cc(C[NH2+]CC#Cc2ccccc2)ccc1OCCC(C)C ZINC000736355412 1044928603 /nfs/dbraw/zinc/92/86/03/1044928603.db2.gz KRANEKCOEJCCJJ-UHFFFAOYSA-N 1 0 337.463 4.261 20 30 EIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1cc(C#N)cs1 ZINC000125433272 1044998399 /nfs/dbraw/zinc/99/83/99/1044998399.db2.gz CJNAVYDVZYTGDX-UHFFFAOYSA-N 1 0 343.521 4.089 20 30 EIEDRO C[C@@H]([NH2+]CCNc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000495395498 1045048213 /nfs/dbraw/zinc/04/82/13/1045048213.db2.gz FKOTZHUKWOGZJE-CYBMUJFWSA-N 1 0 344.256 4.083 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000543654197 1045067757 /nfs/dbraw/zinc/06/77/57/1045067757.db2.gz ZUNUXWQHCRBBGG-UHFFFAOYSA-N 1 0 343.805 4.050 20 30 EIEDRO CCC[N@H+](CCCSCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000466708560 1045068213 /nfs/dbraw/zinc/06/82/13/1045068213.db2.gz ZBJINKIMOHBLCL-HXUWFJFHSA-N 1 0 345.556 4.010 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(C#N)c(F)c1 ZINC000495444090 1045109603 /nfs/dbraw/zinc/10/96/03/1045109603.db2.gz HCILKTWYSXMWBP-CYBMUJFWSA-N 1 0 327.403 4.120 20 30 EIEDRO COc1ccc(C[NH2+]C(C)(C)c2ccccc2)cc1OCCCC#N ZINC000065275064 1045119903 /nfs/dbraw/zinc/11/99/03/1045119903.db2.gz YOPBCPNMVNMVLV-UHFFFAOYSA-N 1 0 338.451 4.403 20 30 EIEDRO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156990758 1045123913 /nfs/dbraw/zinc/12/39/13/1045123913.db2.gz KSSLMNHZJNIHOF-PGRDOPGGSA-N 1 0 333.479 4.043 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000186713632 1045150270 /nfs/dbraw/zinc/15/02/70/1045150270.db2.gz CGVNROBFWHHNHB-GJZGRUSLSA-N 1 0 348.899 4.368 20 30 EIEDRO C=CCOCCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000470779532 1045158147 /nfs/dbraw/zinc/15/81/47/1045158147.db2.gz MYHUTYADYUSOGF-IBGZPJMESA-N 1 0 330.859 4.201 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000739913510 1045173746 /nfs/dbraw/zinc/17/37/46/1045173746.db2.gz JJZOBBLVYVEPLR-UHFFFAOYSA-N 1 0 326.827 4.039 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000740039727 1045177442 /nfs/dbraw/zinc/17/74/42/1045177442.db2.gz UCVINANJHANNGH-UHFFFAOYSA-N 1 0 349.563 4.419 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])c2)s1 ZINC000740013362 1045179973 /nfs/dbraw/zinc/17/99/73/1045179973.db2.gz FKNDWBPWVXZBGK-UHFFFAOYSA-N 1 0 349.415 4.485 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccncc1 ZINC000766020548 1045224397 /nfs/dbraw/zinc/22/43/97/1045224397.db2.gz QIHYSZUYMSTCGP-DNVCBOLYSA-N 1 0 337.423 4.006 20 30 EIEDRO CCOc1ccc(O)c(/C=N/Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000915270828 1045226856 /nfs/dbraw/zinc/22/68/56/1045226856.db2.gz CBPCYHCMJHUQCF-HYARGMPZSA-N 1 0 340.467 4.250 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](CCOC)Cc1cccc(F)c1)c1ccncc1 ZINC000766022826 1045235636 /nfs/dbraw/zinc/23/56/36/1045235636.db2.gz XOFVVXXXQYOFHL-VQTJNVASSA-N 1 0 328.431 4.075 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000611080319 1045250756 /nfs/dbraw/zinc/25/07/56/1045250756.db2.gz QBMFYXTXSLXAOG-LJQANCHMSA-N 1 0 344.430 4.347 20 30 EIEDRO C[C@H](C#N)C[N@H+](CC/C=C/c1ccc(Br)cc1)C1CC1 ZINC000611091287 1045252471 /nfs/dbraw/zinc/25/24/71/1045252471.db2.gz PXVVMKNACSBCPV-KWEXDPCDSA-N 1 0 333.273 4.476 20 30 EIEDRO CC(C)(CCC#N)C[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000611264020 1045268395 /nfs/dbraw/zinc/26/83/95/1045268395.db2.gz XZVGSHQLMYVXTN-GHMZBOCLSA-N 1 0 330.316 4.379 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611266772 1045269259 /nfs/dbraw/zinc/26/92/59/1045269259.db2.gz LVLXRQBWSGCOQQ-APWZRJJASA-N 1 0 326.465 4.219 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1cccc(C#N)c1 ZINC000611386819 1045294431 /nfs/dbraw/zinc/29/44/31/1045294431.db2.gz AJKLBTPISWAPCK-NSHDSACASA-N 1 0 348.233 4.154 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 ZINC000611389447 1045296024 /nfs/dbraw/zinc/29/60/24/1045296024.db2.gz WMKDFSINSXRSTR-LLVKDONJSA-N 1 0 348.233 4.154 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000611391996 1045296319 /nfs/dbraw/zinc/29/63/19/1045296319.db2.gz DNXWWMAHXDVDKI-FDFHNCONSA-N 1 0 332.447 4.446 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000611390694 1045296843 /nfs/dbraw/zinc/29/68/43/1045296843.db2.gz PPHPHFDBUOWAOX-NRFANRHFSA-N 1 0 346.478 4.111 20 30 EIEDRO COc1ccccc1OCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392145 1045297597 /nfs/dbraw/zinc/29/75/97/1045297597.db2.gz MMAPILQQJBLTNA-IBGZPJMESA-N 1 0 336.435 4.003 20 30 EIEDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611394130 1045299251 /nfs/dbraw/zinc/29/92/51/1045299251.db2.gz KUOUPFLGESKZTM-RBUKOAKNSA-N 1 0 334.419 4.058 20 30 EIEDRO COC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2Cl)c1 ZINC000495692359 1045300329 /nfs/dbraw/zinc/30/03/29/1045300329.db2.gz VVJZDSNDZUTGIY-GFCCVEGCSA-N 1 0 343.814 4.241 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](CC2CC2)c2ccccc2)cc1 ZINC000611395533 1045301210 /nfs/dbraw/zinc/30/12/10/1045301210.db2.gz ITFAEANXDAPIOF-FQEVSTJZSA-N 1 0 333.435 4.018 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000611391259 1045302819 /nfs/dbraw/zinc/30/28/19/1045302819.db2.gz LUMDPPAVBIJKLZ-JTSKRJEESA-N 1 0 349.453 4.191 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000611391144 1045302869 /nfs/dbraw/zinc/30/28/69/1045302869.db2.gz VTWACXSNCXKHDM-NRFANRHFSA-N 1 0 346.478 4.111 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cc2ccccc2o1 ZINC000611522791 1045320923 /nfs/dbraw/zinc/32/09/23/1045320923.db2.gz GWVLVVOPTKAJKV-IBGZPJMESA-N 1 0 325.456 4.098 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC2(CC1)CC[NH+](CCC(C)(C)C#N)CC2 ZINC000495770457 1045331216 /nfs/dbraw/zinc/33/12/16/1045331216.db2.gz NSOAJZAGDDAJIP-UHFFFAOYSA-N 1 0 349.519 4.039 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(OC(F)F)cc1 ZINC000272317644 1045412340 /nfs/dbraw/zinc/41/23/40/1045412340.db2.gz VDJNDNFALGGLGC-CYBMUJFWSA-N 1 0 328.362 4.500 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCC[N@@H+]2CCC(C)(C)C#N)C1 ZINC000495797395 1045414889 /nfs/dbraw/zinc/41/48/89/1045414889.db2.gz DHIISBSDWSIARG-DLBZAZTESA-N 1 0 349.519 4.038 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@@H+]2CCCCC#N)C1 ZINC000495982895 1045453160 /nfs/dbraw/zinc/45/31/60/1045453160.db2.gz PEHBOSHNALAKCV-QZTJIDSGSA-N 1 0 349.519 4.182 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000171768533 1045588417 /nfs/dbraw/zinc/58/84/17/1045588417.db2.gz XTAFLBVAXKLUOH-KRWDZBQOSA-N 1 0 335.451 4.040 20 30 EIEDRO COc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000171768455 1045590248 /nfs/dbraw/zinc/59/02/48/1045590248.db2.gz DVJFAEYNWBCUFN-CYBMUJFWSA-N 1 0 330.815 4.102 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)cc1F ZINC000767692743 1045597353 /nfs/dbraw/zinc/59/73/53/1045597353.db2.gz ZFLRHEBNLATCGI-UHFFFAOYSA-N 1 0 325.431 4.142 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169981868 1045711261 /nfs/dbraw/zinc/71/12/61/1045711261.db2.gz CGKLNTIJKRKPMG-HNNXBMFYSA-N 1 0 332.488 4.313 20 30 EIEDRO Cc1ccc(NC(=O)Nc2cccc3c2CC[N@H+](CCCC#N)C3)cc1 ZINC000067401451 1045741610 /nfs/dbraw/zinc/74/16/10/1045741610.db2.gz XPQAPSYHSPKDTD-UHFFFAOYSA-N 1 0 348.450 4.301 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000768238549 1045750694 /nfs/dbraw/zinc/75/06/94/1045750694.db2.gz CIEXJHNJVLHTQX-PIKADFDJSA-N 1 0 347.886 4.426 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000768234781 1045758971 /nfs/dbraw/zinc/75/89/71/1045758971.db2.gz PPKRSPDFXRRXDA-UHFFFAOYSA-N 1 0 349.478 4.122 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000768228928 1045761542 /nfs/dbraw/zinc/76/15/42/1045761542.db2.gz MMVCIPAOFYBWSF-JOCHJYFZSA-N 1 0 333.479 4.244 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000763231433 1045780032 /nfs/dbraw/zinc/78/00/32/1045780032.db2.gz AMXZGZYJYPNVTA-IAGOWNOFSA-N 1 0 344.867 4.072 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\CC1CC[NH+](Cc2cccs2)CC1 ZINC000747033306 1045801960 /nfs/dbraw/zinc/80/19/60/1045801960.db2.gz OXYAOYLWXSXEPH-NDENLUEZSA-N 1 0 348.899 4.438 20 30 EIEDRO N#Cc1cc(Cl)nc(N=NC2CCCC[C@H]2[NH+]2CCCCCC2)c1 ZINC000768375717 1045802705 /nfs/dbraw/zinc/80/27/05/1045802705.db2.gz PKPLGQIKBCJVRH-MRXNPFEDSA-N 1 0 345.878 4.193 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(N=Nc3cc(C#N)cc(Cl)n3)CC2)C1 ZINC000768376019 1045803132 /nfs/dbraw/zinc/80/31/32/1045803132.db2.gz QNUPKTNUMKLNHQ-BBRMVZONSA-N 1 0 345.878 4.049 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000246503326 1045821469 /nfs/dbraw/zinc/82/14/69/1045821469.db2.gz SSNNGTBONAVQLL-STZQEDGTSA-N 1 0 333.479 4.457 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000768912816 1045859080 /nfs/dbraw/zinc/85/90/80/1045859080.db2.gz MVUSRYNMZAGOFT-UZLBHIALSA-N 1 0 338.426 4.324 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000768991349 1045867877 /nfs/dbraw/zinc/86/78/77/1045867877.db2.gz KNOCQORWPVHKQF-OXJNMPFZSA-N 1 0 338.426 4.324 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000248589072 1045876023 /nfs/dbraw/zinc/87/60/23/1045876023.db2.gz YSOMOLDTBBINTC-HZPDHXFCSA-N 1 0 345.512 4.141 20 30 EIEDRO C#CCOc1ccccc1C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000769213668 1045896072 /nfs/dbraw/zinc/89/60/72/1045896072.db2.gz VVUQLIVTTYWIEE-JTHBVZDNSA-N 1 0 349.474 4.298 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001170193644 1045921298 /nfs/dbraw/zinc/92/12/98/1045921298.db2.gz INMZARCSSUAOSI-DOTOQJQBSA-N 1 0 327.390 4.212 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(c3cccc(F)c3)CC2)cc1 ZINC000769388726 1045944262 /nfs/dbraw/zinc/94/42/62/1045944262.db2.gz HPFTYLMHIZNHHI-MRXNPFEDSA-N 1 0 338.426 4.496 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000769396221 1045966900 /nfs/dbraw/zinc/96/69/00/1045966900.db2.gz JZXPUFPPRLKYKJ-LJQANCHMSA-N 1 0 337.442 4.165 20 30 EIEDRO Cc1cccc(C2(C[NH2+]Cc3cnc4ccc(C#N)cn34)CCCC2)c1 ZINC000237839672 1045994588 /nfs/dbraw/zinc/99/45/88/1045994588.db2.gz XMIUGDACEWRKDB-UHFFFAOYSA-N 1 0 344.462 4.116 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000161523483 1046005137 /nfs/dbraw/zinc/00/51/37/1046005137.db2.gz RUNSFFRAJUYKRA-SFHVURJKSA-N 1 0 347.462 4.347 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cnccc2Cl)CC1 ZINC001170355685 1046010107 /nfs/dbraw/zinc/01/01/07/1046010107.db2.gz PEPAFIOIDWQIQP-UHFFFAOYSA-N 1 0 325.843 4.229 20 30 EIEDRO CCOC(CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)OCC ZINC001170360217 1046013006 /nfs/dbraw/zinc/01/30/06/1046013006.db2.gz RYXZXYNJAOENPW-UHFFFAOYSA-N 1 0 344.499 4.159 20 30 EIEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(O)cc1 ZINC001170368014 1046017840 /nfs/dbraw/zinc/01/78/40/1046017840.db2.gz LVRPVCGZPOCVNQ-RYHLMMNBSA-N 1 0 334.463 4.489 20 30 EIEDRO C[N@H+](Cc1ccc2c(c1)OCO2)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170394783 1046029002 /nfs/dbraw/zinc/02/90/02/1046029002.db2.gz AKRROCPGFZAYKB-UHFFFAOYSA-N 1 0 348.446 4.251 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2(Cc3ccc(O)cc3)CC2)CC1 ZINC001170377004 1046032363 /nfs/dbraw/zinc/03/23/63/1046032363.db2.gz UEPQNZAGYPSWLT-UHFFFAOYSA-N 1 0 346.474 4.461 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@H+]2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001170379065 1046033538 /nfs/dbraw/zinc/03/35/38/1046033538.db2.gz OXYJMSXKAOJPEO-LXPRWKDFSA-N 1 0 336.401 4.460 20 30 EIEDRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000496763285 1046048124 /nfs/dbraw/zinc/04/81/24/1046048124.db2.gz KHVGEEGPZGPBCE-YXJHDRRASA-N 1 0 343.471 4.054 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2)c1cccc(C#N)c1 ZINC001170419543 1046062747 /nfs/dbraw/zinc/06/27/47/1046062747.db2.gz FOMMPWQZCBBRND-RBUKOAKNSA-N 1 0 336.435 4.349 20 30 EIEDRO C[C@@H]1[C@@H](C)[N@H+](CCCCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000769785783 1046071589 /nfs/dbraw/zinc/07/15/89/1046071589.db2.gz DVWBSRWXZNWDBR-HZPDHXFCSA-N 1 0 337.508 4.036 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000496829187 1046072359 /nfs/dbraw/zinc/07/23/59/1046072359.db2.gz QCZAMVRRYJGSLB-GQOXECLESA-N 1 0 349.519 4.086 20 30 EIEDRO C[N@H+](CCCCC(C)(C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496927717 1046105931 /nfs/dbraw/zinc/10/59/31/1046105931.db2.gz OIMWBJGSBMQBNP-UHFFFAOYSA-N 1 0 337.508 4.038 20 30 EIEDRO C=CC[C@H]1[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)CCCC1(C)C ZINC000769953416 1046108045 /nfs/dbraw/zinc/10/80/45/1046108045.db2.gz LYLBJUQWDSIHQR-ZWKOTPCHSA-N 1 0 328.456 4.079 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000792984903 1046120314 /nfs/dbraw/zinc/12/03/14/1046120314.db2.gz HPVNARUDRUKHOT-BXWFABGCSA-N 1 0 340.467 4.498 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000792996094 1046122399 /nfs/dbraw/zinc/12/23/99/1046122399.db2.gz OZCLMMSAKXCSQB-ZDUSSCGKSA-N 1 0 347.384 4.494 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000770000270 1046125855 /nfs/dbraw/zinc/12/58/55/1046125855.db2.gz AVVCPUISESOAML-UXHICEINSA-N 1 0 340.854 4.472 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)s1 ZINC000770289163 1046169744 /nfs/dbraw/zinc/16/97/44/1046169744.db2.gz CHLSNTLVPFCWSD-FXAWDEMLSA-N 1 0 340.492 4.488 20 30 EIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000770292825 1046174426 /nfs/dbraw/zinc/17/44/26/1046174426.db2.gz UCWAAUDKICMNBB-HKUYNNGSSA-N 1 0 343.492 4.401 20 30 EIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000123709452 1046194609 /nfs/dbraw/zinc/19/46/09/1046194609.db2.gz CMGGGHPTRGHBCG-UHFFFAOYSA-N 1 0 327.409 4.059 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H](CSC)C2)c1O ZINC000793796387 1046334016 /nfs/dbraw/zinc/33/40/16/1046334016.db2.gz KUZIFMLOZJYOEC-OAHLLOKOSA-N 1 0 335.513 4.094 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H](CSC)C2)c1O ZINC000793796386 1046334992 /nfs/dbraw/zinc/33/49/92/1046334992.db2.gz KUZIFMLOZJYOEC-HNNXBMFYSA-N 1 0 335.513 4.094 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000497098805 1046339939 /nfs/dbraw/zinc/33/99/39/1046339939.db2.gz WCWABWQHMIJJJO-YEWWUXTCSA-N 1 0 341.455 4.303 20 30 EIEDRO C[NH+]1C(C)(C)CC(Nc2c(F)c(F)c(C#N)c(F)c2F)CC1(C)C ZINC001170452038 1046540343 /nfs/dbraw/zinc/54/03/43/1046540343.db2.gz TUEUVLWVNCZHRG-UHFFFAOYSA-N 1 0 343.368 4.178 20 30 EIEDRO C=C[C@@H](CC(=O)N(CCC)CC[NH+]1CCCCCC1)c1ccccc1 ZINC001129582102 1046577456 /nfs/dbraw/zinc/57/74/56/1046577456.db2.gz UDBCHUREHWBNKR-FQEVSTJZSA-N 1 0 342.527 4.461 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1 ZINC001129597825 1046600871 /nfs/dbraw/zinc/60/08/71/1046600871.db2.gz OGKKBLGJQPZLOW-UHFFFAOYSA-N 1 0 339.414 4.182 20 30 EIEDRO CCc1ccc(C2=CC[N@H+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000772357983 1046618687 /nfs/dbraw/zinc/61/86/87/1046618687.db2.gz VBJHXBVRSHIYLR-UHFFFAOYSA-N 1 0 332.447 4.441 20 30 EIEDRO C=CCC(CC=C)C(=O)N(C[C@@H](C)[NH+](C)C)c1c(C)cccc1C ZINC001129683776 1046651298 /nfs/dbraw/zinc/65/12/98/1046651298.db2.gz IVFAAFMWTXJUMH-GOSISDBHSA-N 1 0 328.500 4.355 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459535367 1046762496 /nfs/dbraw/zinc/76/24/96/1046762496.db2.gz XPWUPRBSINMAJM-KRWDZBQOSA-N 1 0 332.447 4.183 20 30 EIEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000497384290 1046767620 /nfs/dbraw/zinc/76/76/20/1046767620.db2.gz GXWZHVZNZOHFNR-FQEVSTJZSA-N 1 0 341.499 4.000 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC001142474325 1046807479 /nfs/dbraw/zinc/80/74/79/1046807479.db2.gz QPLPUCRVBKCAND-INIZCTEOSA-N 1 0 343.298 4.459 20 30 EIEDRO COc1ccc(C2([NH2+]CCCCC3(C#N)CCC3)CCOCC2)cc1 ZINC000929970506 1046822438 /nfs/dbraw/zinc/82/24/38/1046822438.db2.gz BPFAGFXOBIDYJH-UHFFFAOYSA-N 1 0 342.483 4.155 20 30 EIEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459692925 1046858910 /nfs/dbraw/zinc/85/89/10/1046858910.db2.gz IIKVXSINRLZTLB-UXHICEINSA-N 1 0 326.484 4.355 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)c1 ZINC000786852620 1046875418 /nfs/dbraw/zinc/87/54/18/1046875418.db2.gz HTNVOXOFSZCFMQ-OZOXKJRCSA-N 1 0 338.451 4.233 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000459738272 1046875575 /nfs/dbraw/zinc/87/55/75/1046875575.db2.gz XXBIOPVTQFBFOT-ZDUSSCGKSA-N 1 0 325.225 4.105 20 30 EIEDRO CC[C@@H](CSC)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537023977 1046898217 /nfs/dbraw/zinc/89/82/17/1046898217.db2.gz SNXJDRTZVKYIPC-IBGZPJMESA-N 1 0 340.492 4.368 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000537030090 1046906645 /nfs/dbraw/zinc/90/66/45/1046906645.db2.gz YYLZBWOSCMDZRF-WMLDXEAASA-N 1 0 347.890 4.112 20 30 EIEDRO C=CCCC[C@H](C)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000537037583 1046907885 /nfs/dbraw/zinc/90/78/85/1046907885.db2.gz OTNLKZHWKKDWTI-INIZCTEOSA-N 1 0 334.891 4.233 20 30 EIEDRO CC[N@H+](C[C@H](O)c1ccc(F)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000746659507 1046926904 /nfs/dbraw/zinc/92/69/04/1046926904.db2.gz WAOYEAHEINGNCR-QRWLVFNGSA-N 1 0 326.415 4.122 20 30 EIEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000746665505 1046976200 /nfs/dbraw/zinc/97/62/00/1046976200.db2.gz CKCNJFPZQXYMCE-HOTGVXAUSA-N 1 0 337.508 4.084 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000537178969 1047010311 /nfs/dbraw/zinc/01/03/11/1047010311.db2.gz JXZYFXUCNKDJJI-AWEZNQCLSA-N 1 0 328.799 4.259 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000537203670 1047038945 /nfs/dbraw/zinc/03/89/45/1047038945.db2.gz JZGJPHGRZCABPU-XMSQKQJNSA-N 1 0 349.478 4.302 20 30 EIEDRO C[C@]1(COC(=O)CCCCCC#N)CCCC[N@@H+]1Cc1ccccc1 ZINC000805914311 1047052683 /nfs/dbraw/zinc/05/26/83/1047052683.db2.gz GZMOMVRIGXQZDH-OAQYLSRUSA-N 1 0 342.483 4.448 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@](F)(COC(=O)CCCCCC#N)C1 ZINC000805917625 1047055053 /nfs/dbraw/zinc/05/50/53/1047055053.db2.gz SYINUIGCMNULBV-YLJYHZDGSA-N 1 0 346.446 4.179 20 30 EIEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000537296856 1047078443 /nfs/dbraw/zinc/07/84/43/1047078443.db2.gz HXPSNRQBWJVOKA-KKSFZXQISA-N 1 0 349.478 4.029 20 30 EIEDRO N#Cc1ccccc1-c1ccccc1C(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788119840 1047110435 /nfs/dbraw/zinc/11/04/35/1047110435.db2.gz ONXHFYFUKPLYDN-ROUUACIJSA-N 1 0 346.430 4.009 20 30 EIEDRO C=CC[NH+]1CCC(N[C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000497871121 1047145830 /nfs/dbraw/zinc/14/58/30/1047145830.db2.gz ZETRLFDBPZHZMR-QFIPXVFZSA-N 1 0 347.462 4.157 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000788259851 1047146593 /nfs/dbraw/zinc/14/65/93/1047146593.db2.gz YSLJSWFBNJEEKW-LZLYRXPVSA-N 1 0 332.488 4.065 20 30 EIEDRO C=CCCCCCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000806168044 1047190471 /nfs/dbraw/zinc/19/04/71/1047190471.db2.gz UNBJFHIIEYLPDB-CQSZACIVSA-N 1 0 327.465 4.016 20 30 EIEDRO C[C@H]([NH2+]CCCCOc1ccc(F)cc1)c1ccc(C#N)c(F)c1 ZINC000537406060 1047197155 /nfs/dbraw/zinc/19/71/55/1047197155.db2.gz BDNQMRLOJGZQGQ-AWEZNQCLSA-N 1 0 330.378 4.346 20 30 EIEDRO C[C@@H](NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537407930 1047199045 /nfs/dbraw/zinc/19/90/45/1047199045.db2.gz YAVNEACBHJSDLU-HZPDHXFCSA-N 1 0 339.458 4.477 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccc(C#N)c(F)c1 ZINC000537407618 1047202712 /nfs/dbraw/zinc/20/27/12/1047202712.db2.gz SXKQVXOXYDGHTE-CYBMUJFWSA-N 1 0 340.398 4.054 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)c1 ZINC000788648101 1047247807 /nfs/dbraw/zinc/24/78/07/1047247807.db2.gz XGMPHPZODJJALO-RXVVDRJESA-N 1 0 336.435 4.240 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2c(-c3ccccc3)nc3sccn32)cc1 ZINC000917996110 1047266312 /nfs/dbraw/zinc/26/63/12/1047266312.db2.gz KRLXCCWUOXAJEZ-UHFFFAOYSA-N 1 0 344.443 4.224 20 30 EIEDRO C=CCCC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)c(C)c2)CC1 ZINC000476096906 1047313044 /nfs/dbraw/zinc/31/30/44/1047313044.db2.gz YWKJBUTURRREIX-UHFFFAOYSA-N 1 0 342.483 4.155 20 30 EIEDRO N#Cc1ccc(CNc2cc[nH+]c3ccc(C(F)(F)F)cc23)cc1F ZINC001170095309 1047344628 /nfs/dbraw/zinc/34/46/28/1047344628.db2.gz BZANYACWQTVACA-UHFFFAOYSA-N 1 0 345.299 4.298 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2oc3ccccc3c2OC)cc1 ZINC000788980239 1047349866 /nfs/dbraw/zinc/34/98/66/1047349866.db2.gz LQTYUQOOWJAAHZ-OAHLLOKOSA-N 1 0 335.403 4.304 20 30 EIEDRO N#Cc1cccc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000026446517 1047396605 /nfs/dbraw/zinc/39/66/05/1047396605.db2.gz DIEGVEGUCYZOFG-UHFFFAOYSA-N 1 0 341.252 4.485 20 30 EIEDRO C#CCCCCCC[NH+]1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC001170518941 1047418460 /nfs/dbraw/zinc/41/84/60/1047418460.db2.gz KRBZRVCVRUHKTD-JOCHJYFZSA-N 1 0 343.511 4.414 20 30 EIEDRO C=CCCCCCCCCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000807591378 1047476853 /nfs/dbraw/zinc/47/68/53/1047476853.db2.gz DFPVPFXYMCEKOM-UHFFFAOYSA-N 1 0 335.536 4.173 20 30 EIEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNc1cc(Cl)cc(Cl)c1 ZINC000790201587 1047535089 /nfs/dbraw/zinc/53/50/89/1047535089.db2.gz HERLIXVXUNUIBI-UHFFFAOYSA-N 1 0 346.221 4.329 20 30 EIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2nccnc2C2CCC2)CC1 ZINC000807992324 1047567893 /nfs/dbraw/zinc/56/78/93/1047567893.db2.gz FQHJXNNTDMINLA-CRAIPNDOSA-N 1 0 341.503 4.187 20 30 EIEDRO C[N@H+](Cc1cc(Br)ccc1F)CC(C)(C)CCC#N ZINC000130391138 1047705617 /nfs/dbraw/zinc/70/56/17/1047705617.db2.gz XCARTXSLNXYZQV-UHFFFAOYSA-N 1 0 327.241 4.350 20 30 EIEDRO N#Cc1cccc(C2(NCc3nc(-c4ccccc4)cs3)CC2)c1 ZINC000556407269 1047732332 /nfs/dbraw/zinc/73/23/32/1047732332.db2.gz DEUMNTQIQZMTBE-UHFFFAOYSA-N 1 0 331.444 4.461 20 30 EIEDRO COc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc(Cl)c1OC ZINC000130562412 1047735975 /nfs/dbraw/zinc/73/59/75/1047735975.db2.gz RQUVFFNINJBJAO-KRWDZBQOSA-N 1 0 344.842 4.492 20 30 EIEDRO C#CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H]1CCc2ccccc21 ZINC000154887989 1047743707 /nfs/dbraw/zinc/74/37/07/1047743707.db2.gz WSORSZUFKUPZDJ-OAQYLSRUSA-N 1 0 344.462 4.135 20 30 EIEDRO CCC(CC)[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000556595979 1047833977 /nfs/dbraw/zinc/83/39/77/1047833977.db2.gz KGGQMZJGPYQEMD-NRFANRHFSA-N 1 0 332.451 4.473 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@H](CC3CCC3)c3ccccc3)n2c1 ZINC000556601600 1047838891 /nfs/dbraw/zinc/83/88/91/1047838891.db2.gz PTRFIKRTEUNJTI-HXUWFJFHSA-N 1 0 330.435 4.227 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1Cl ZINC000352649763 1047846461 /nfs/dbraw/zinc/84/64/61/1047846461.db2.gz OKVZLRPUUVKCJP-UHFFFAOYSA-N 1 0 331.847 4.008 20 30 EIEDRO C=CCCCC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000824269738 1047847299 /nfs/dbraw/zinc/84/72/99/1047847299.db2.gz MPPKXKDAXYCXOI-UHFFFAOYSA-N 1 0 340.511 4.248 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C1CCCC1 ZINC000824297205 1047851276 /nfs/dbraw/zinc/85/12/76/1047851276.db2.gz RBZCMFIXITUXLI-OHTSDLOESA-N 1 0 349.519 4.132 20 30 EIEDRO C[C@H]1CCCCN1c1cccc(N[C@@H]2CCc3c2cccc3C#N)[nH+]1 ZINC001171064719 1047920866 /nfs/dbraw/zinc/92/08/66/1047920866.db2.gz LSNXISGIYSDUFV-HNAYVOBHSA-N 1 0 332.451 4.431 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498942517 1048000320 /nfs/dbraw/zinc/00/03/20/1048000320.db2.gz VEUJLTASKMPHMU-HXUWFJFHSA-N 1 0 328.475 4.392 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(c3ccc(Cl)cc3)C2)cc1 ZINC000824988168 1048016439 /nfs/dbraw/zinc/01/64/39/1048016439.db2.gz HSPFOCPUHNUTTQ-AWEZNQCLSA-N 1 0 326.827 4.230 20 30 EIEDRO Cc1ccc2c(C[N@@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)c[nH]c2c1 ZINC001136976502 1048016994 /nfs/dbraw/zinc/01/69/94/1048016994.db2.gz CYYVCJZHSNFKPN-HXUWFJFHSA-N 1 0 345.446 4.391 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000825084620 1048033503 /nfs/dbraw/zinc/03/35/03/1048033503.db2.gz GLPRJKAQTIJALZ-QGPMSJSTSA-N 1 0 342.464 4.049 20 30 EIEDRO N#Cc1ccc(F)c(C[NH2+]Cc2cc(Cl)cc3cccnc32)c1 ZINC000763442679 1048064728 /nfs/dbraw/zinc/06/47/28/1048064728.db2.gz VIBVMYJPYHQCJU-UHFFFAOYSA-N 1 0 325.774 4.189 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCC ZINC001127522723 1048089641 /nfs/dbraw/zinc/08/96/41/1048089641.db2.gz JYTOPDFXSQAOIO-HMXCVIKNSA-N 1 0 342.527 4.396 20 30 EIEDRO CCS[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000556872171 1048092926 /nfs/dbraw/zinc/09/29/26/1048092926.db2.gz ORFUHRBYQAKHEX-ICSRJNTNSA-N 1 0 343.540 4.181 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CCCCC#N)C2)C1 ZINC000814673338 1048111817 /nfs/dbraw/zinc/11/18/17/1048111817.db2.gz IDXNPGABOCERQR-QZTJIDSGSA-N 1 0 349.519 4.039 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1C(F)(F)F ZINC001143352694 1048112690 /nfs/dbraw/zinc/11/26/90/1048112690.db2.gz XEPXRCSAFDAGAJ-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO FC(F)(F)[C@@H]1C=C([NH2+]Nc2ccnc3cc(Cl)ccc32)CCO1 ZINC000814693988 1048135673 /nfs/dbraw/zinc/13/56/73/1048135673.db2.gz QSLXDSSPAIADHI-AWEZNQCLSA-N 1 0 343.736 4.397 20 30 EIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)[C@H]1CCCc2ccc(F)cc21 ZINC001170768621 1048205709 /nfs/dbraw/zinc/20/57/09/1048205709.db2.gz BNEXKGCDIKEDLX-NRFANRHFSA-N 1 0 338.426 4.223 20 30 EIEDRO CC(C)c1nccnc1N=NC1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814917383 1048256519 /nfs/dbraw/zinc/25/65/19/1048256519.db2.gz UREPNQZIGOGBDH-MRXNPFEDSA-N 1 0 337.471 4.052 20 30 EIEDRO COc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1C#N ZINC000844461655 1048353670 /nfs/dbraw/zinc/35/36/70/1048353670.db2.gz HZLZTVCKWFVPRR-UHFFFAOYSA-N 1 0 346.352 4.365 20 30 EIEDRO C=CCN(CCc1ccccc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000195228413 1048394829 /nfs/dbraw/zinc/39/48/29/1048394829.db2.gz LVFZDKIUASPCPK-UHFFFAOYSA-N 1 0 337.467 4.011 20 30 EIEDRO CC#CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000499207758 1048410198 /nfs/dbraw/zinc/41/01/98/1048410198.db2.gz AFWHZCCEXYTLGW-UHFFFAOYSA-N 1 0 329.447 4.101 20 30 EIEDRO CC#CCC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000499217451 1048425792 /nfs/dbraw/zinc/42/57/92/1048425792.db2.gz VTUZWXNBZWTASA-UHFFFAOYSA-N 1 0 335.270 4.076 20 30 EIEDRO C=C(C)C[N@@H+](C[C@H](O)c1ccc(OC)cc1)[C@@H](C)Cc1ccccc1 ZINC001171143184 1048452164 /nfs/dbraw/zinc/45/21/64/1048452164.db2.gz JHBCGTZQSKQGCH-AVRDEDQJSA-N 1 0 339.479 4.238 20 30 EIEDRO C#C[C@H](CC)NCc1csc(-c2cccc(Br)c2)n1 ZINC000809686021 1048473508 /nfs/dbraw/zinc/47/35/08/1048473508.db2.gz IMBNIWMSXLIRTJ-CYBMUJFWSA-N 1 0 335.270 4.074 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000809737662 1048508790 /nfs/dbraw/zinc/50/87/90/1048508790.db2.gz INUXTCIMCGARCE-MRXNPFEDSA-N 1 0 336.435 4.095 20 30 EIEDRO C#CCOc1ccccc1C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000809789719 1048533825 /nfs/dbraw/zinc/53/38/25/1048533825.db2.gz ASXAAJJUAABVSU-IYBDPMFKSA-N 1 0 325.374 4.252 20 30 EIEDRO C#CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000809789896 1048533933 /nfs/dbraw/zinc/53/39/33/1048533933.db2.gz MKHRPBKGUWVWCJ-IYBDPMFKSA-N 1 0 325.374 4.252 20 30 EIEDRO COc1ccc(C[N@H+](Cc2cnc3ccc(C#N)cn23)C(C)(C)C)cc1 ZINC000809792418 1048536473 /nfs/dbraw/zinc/53/64/73/1048536473.db2.gz VCAULOWSRVFTCL-UHFFFAOYSA-N 1 0 348.450 4.015 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000815634807 1048564681 /nfs/dbraw/zinc/56/46/81/1048564681.db2.gz QYPBLRCHPZVVEH-OLZOCXBDSA-N 1 0 326.282 4.415 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)c1cccc(C#N)c1 ZINC000810128838 1048638697 /nfs/dbraw/zinc/63/86/97/1048638697.db2.gz KDNLHFDEOXYZFH-DLBZAZTESA-N 1 0 347.462 4.487 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)N(CC[NH3+])c1cccc2ccccc21 ZINC001171174965 1048643964 /nfs/dbraw/zinc/64/39/64/1048643964.db2.gz GSUBUIOMCFIALK-QGZVFWFLSA-N 1 0 329.447 4.108 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000810153496 1048659279 /nfs/dbraw/zinc/65/92/79/1048659279.db2.gz YLZUTMCMCFFVJI-CABZTGNLSA-N 1 0 347.178 4.250 20 30 EIEDRO CCc1nc2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc2o1 ZINC001171183846 1048674367 /nfs/dbraw/zinc/67/43/67/1048674367.db2.gz AYZFTRIWENXNMM-UHFFFAOYSA-N 1 0 331.375 4.286 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC001171184382 1048676124 /nfs/dbraw/zinc/67/61/24/1048676124.db2.gz MHAGPMGDSFKLSL-HSQYWUDLSA-N 1 0 334.463 4.217 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC001171184383 1048676459 /nfs/dbraw/zinc/67/64/59/1048676459.db2.gz MHAGPMGDSFKLSL-WTNAPCKOSA-N 1 0 334.463 4.217 20 30 EIEDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171184639 1048676590 /nfs/dbraw/zinc/67/65/90/1048676590.db2.gz ONWGLKQDWVHYMS-UHFFFAOYSA-N 1 0 349.390 4.416 20 30 EIEDRO COc1cccc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)c1C(F)(F)F ZINC001171185317 1048682396 /nfs/dbraw/zinc/68/23/96/1048682396.db2.gz QKILFALFYRAYSM-CYBMUJFWSA-N 1 0 348.368 4.306 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1c2ccc(F)cc2c2c1C[C@@H]([NH3+])CC2 ZINC001171194461 1048699495 /nfs/dbraw/zinc/69/94/95/1048699495.db2.gz JPJJNSOHVCQUJS-KDOFPFPSSA-N 1 0 347.437 4.272 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Oc2ccccn2)cc1 ZINC001171197665 1048716348 /nfs/dbraw/zinc/71/63/48/1048716348.db2.gz BCCYVBSJXDBTIJ-KRWDZBQOSA-N 1 0 343.430 4.466 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(Br)nc1 ZINC000810237819 1048718638 /nfs/dbraw/zinc/71/86/38/1048718638.db2.gz KIMIDOKKHWHYAS-BZNIZROVSA-N 1 0 342.240 4.054 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(Br)nc1 ZINC000810237818 1048720432 /nfs/dbraw/zinc/72/04/32/1048720432.db2.gz KIMIDOKKHWHYAS-BDJLRTHQSA-N 1 0 342.240 4.054 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(Br)nc1 ZINC000810237820 1048720469 /nfs/dbraw/zinc/72/04/69/1048720469.db2.gz KIMIDOKKHWHYAS-MEDUHNTESA-N 1 0 342.240 4.054 20 30 EIEDRO COc1ccccc1CC(C)(C)C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171198713 1048728383 /nfs/dbraw/zinc/72/83/83/1048728383.db2.gz OKCBQRCHMWJYFE-KRWDZBQOSA-N 1 0 336.479 4.356 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cc(C)c(OC)c(Cl)c2)ccc1C#N ZINC000810251437 1048729743 /nfs/dbraw/zinc/72/97/43/1048729743.db2.gz SCIOVZQSFASDDO-CYBMUJFWSA-N 1 0 344.842 4.388 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC001135483774 1048745030 /nfs/dbraw/zinc/74/50/30/1048745030.db2.gz LVGYTEBJEVBDOV-IHRRRGAJSA-N 1 0 340.920 4.177 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ncccc1Cl)C1CC1 ZINC001171201104 1048752572 /nfs/dbraw/zinc/75/25/72/1048752572.db2.gz HWVUKGUROLNTMF-SCLBCKFNSA-N 1 0 325.843 4.279 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(O[C@@H](C#N)CC)c2)C1 ZINC000845939640 1048767405 /nfs/dbraw/zinc/76/74/05/1048767405.db2.gz KSBFJHGZCZIGIZ-BPQIPLTHSA-N 1 0 328.456 4.211 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCOc2ccc(Cl)cc21 ZINC001171203903 1048773083 /nfs/dbraw/zinc/77/30/83/1048773083.db2.gz QHKQZOIGLCSJAA-ACJLOTCBSA-N 1 0 326.827 4.256 20 30 EIEDRO Cc1cc2cc(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)oc2cc1C ZINC000846005583 1048787291 /nfs/dbraw/zinc/78/72/91/1048787291.db2.gz ADERVUGONSOXRH-HXUWFJFHSA-N 1 0 334.419 4.087 20 30 EIEDRO C[C@]1(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@]1(F)Cl ZINC000846037486 1048802538 /nfs/dbraw/zinc/80/25/38/1048802538.db2.gz NNOHXAPRKBUJBV-UONOGXRCSA-N 1 0 334.744 4.371 20 30 EIEDRO C=CCSCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000236688375 1048833201 /nfs/dbraw/zinc/83/32/01/1048833201.db2.gz KXSFSIDPCCBIRC-UHFFFAOYSA-N 1 0 338.476 4.146 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001171216754 1048839463 /nfs/dbraw/zinc/83/94/63/1048839463.db2.gz KNAIPQZYXPGWRO-XXMUNEJQSA-N 1 0 338.495 4.016 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cccc(F)c1 ZINC000921070357 1048841163 /nfs/dbraw/zinc/84/11/63/1048841163.db2.gz VGWINELOSKTVRP-INIZCTEOSA-N 1 0 325.431 4.069 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001171223323 1048860901 /nfs/dbraw/zinc/86/09/01/1048860901.db2.gz MRKWGDDQUVUJBT-AVRDEDQJSA-N 1 0 334.463 4.170 20 30 EIEDRO COc1cccc(C[C@H]2CCC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171231681 1048871140 /nfs/dbraw/zinc/87/11/40/1048871140.db2.gz KRFGOUQVAOMVIN-XMSQKQJNSA-N 1 0 348.490 4.453 20 30 EIEDRO COc1cccc([C@H]2CCC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171233149 1048872384 /nfs/dbraw/zinc/87/23/84/1048872384.db2.gz ZHWVKXSCCHRXSS-UTKZUKDTSA-N 1 0 334.463 4.377 20 30 EIEDRO COc1cccc([C@@H]2CCC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171233147 1048872699 /nfs/dbraw/zinc/87/26/99/1048872699.db2.gz ZHWVKXSCCHRXSS-DYESRHJHSA-N 1 0 334.463 4.377 20 30 EIEDRO COc1ccc(C[N@H+](C)CCCOc2ccc(C#N)cc2)cc1Cl ZINC001171240887 1048884407 /nfs/dbraw/zinc/88/44/07/1048884407.db2.gz YIEVXSYAOCZQDP-UHFFFAOYSA-N 1 0 344.842 4.121 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)CCc2ccco2)cc(OC)c1OC ZINC000772953811 1048909392 /nfs/dbraw/zinc/90/93/92/1048909392.db2.gz MVNAEPLOVWRVOM-OAHLLOKOSA-N 1 0 329.440 4.136 20 30 EIEDRO CC(C)C[N@H+](CC(=O)Nc1ccccc1SCC#N)CC(C)(C)C ZINC000134458493 1048960144 /nfs/dbraw/zinc/96/01/44/1048960144.db2.gz WQOWGIQXGDRPKA-UHFFFAOYSA-N 1 0 347.528 4.245 20 30 EIEDRO CC[NH+](CC)CCOc1ccc(NCc2ccc(C#N)c(F)c2)cc1 ZINC000817406337 1048961001 /nfs/dbraw/zinc/96/10/01/1048961001.db2.gz LXCAHVNNJQYXJE-UHFFFAOYSA-N 1 0 341.430 4.030 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCOc3c(CC)cccc32)cc1 ZINC000772960045 1048998038 /nfs/dbraw/zinc/99/80/38/1048998038.db2.gz QFZVJKHFLDTZJX-IERDGZPVSA-N 1 0 335.447 4.435 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C(C)C)c(F)c1 ZINC000817580870 1049010254 /nfs/dbraw/zinc/01/02/54/1049010254.db2.gz LHBIIKKOPXMZSF-HXUWFJFHSA-N 1 0 342.414 4.201 20 30 EIEDRO Cc1cc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1N(C)C ZINC001171277294 1049021872 /nfs/dbraw/zinc/02/18/72/1049021872.db2.gz KFHHJUPUTJBKLG-UHFFFAOYSA-N 1 0 348.494 4.031 20 30 EIEDRO N#CC1(CC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CCCCC1 ZINC001132745057 1049028514 /nfs/dbraw/zinc/02/85/14/1049028514.db2.gz NCDVDVTVBMKXFJ-UHFFFAOYSA-N 1 0 339.483 4.475 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3ccccc3)C2(C)C)cc1 ZINC001171278774 1049037678 /nfs/dbraw/zinc/03/76/78/1049037678.db2.gz RJVACOUGRKDWOV-OAQYLSRUSA-N 1 0 346.474 4.265 20 30 EIEDRO N#CCC[N@H+](C1CCCC1)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170879735 1049046981 /nfs/dbraw/zinc/04/69/81/1049046981.db2.gz RGGCIILTYZGPJG-SFHVURJKSA-N 1 0 347.300 4.465 20 30 EIEDRO C[N@H+](Cc1ccc(Br)o1)Cc1ccccc1C(C)(C)C#N ZINC000135125290 1049073812 /nfs/dbraw/zinc/07/38/12/1049073812.db2.gz KVGMTABLNOSYSQ-UHFFFAOYSA-N 1 0 347.256 4.475 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(Cl)c3)C2)c(F)c1 ZINC000609466535 1049076670 /nfs/dbraw/zinc/07/66/70/1049076670.db2.gz FOCQQJPEOSAFJD-KRWDZBQOSA-N 1 0 343.833 4.109 20 30 EIEDRO CC(C)C[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000811482483 1049080777 /nfs/dbraw/zinc/08/07/77/1049080777.db2.gz YAFLPLPVWAFHME-QAPCUYQASA-N 1 0 345.487 4.148 20 30 EIEDRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000811473387 1049094244 /nfs/dbraw/zinc/09/42/44/1049094244.db2.gz XLQBGCLAOJUEMP-YJBOKZPZSA-N 1 0 345.487 4.148 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc(C)c1OCc1ccccn1 ZINC000818231055 1049116533 /nfs/dbraw/zinc/11/65/33/1049116533.db2.gz TUYCGRMYLGPIHR-PKOBYXMFSA-N 1 0 335.451 4.059 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811507600 1049120099 /nfs/dbraw/zinc/12/00/99/1049120099.db2.gz HYBZZZITJIQGTL-UHFFFAOYSA-N 1 0 330.215 4.321 20 30 EIEDRO Cc1ccc([C@H](CNc2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000609507627 1049121389 /nfs/dbraw/zinc/12/13/89/1049121389.db2.gz SWUZRQFFHVRAJB-KRWDZBQOSA-N 1 0 329.831 4.362 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(C#N)cc1 ZINC000818342312 1049136537 /nfs/dbraw/zinc/13/65/37/1049136537.db2.gz OWNNKKKMQNGKKO-AVRDEDQJSA-N 1 0 349.478 4.134 20 30 EIEDRO C=CC1CC[NH+](Cc2c(C(=O)OC)sc3cccc(F)c32)CC1 ZINC000609540521 1049143952 /nfs/dbraw/zinc/14/39/52/1049143952.db2.gz BGNBPSWCZSLBEO-UHFFFAOYSA-N 1 0 333.428 4.225 20 30 EIEDRO N#CCc1cc2ccccc2c(-n2c(CC[NH3+])cc3ccccc32)c1 ZINC001171304375 1049150831 /nfs/dbraw/zinc/15/08/31/1049150831.db2.gz RDVNIJRXKPBMJS-UHFFFAOYSA-N 1 0 325.415 4.351 20 30 EIEDRO COc1ccc(Cl)c2c1C[C@@H](NC(=[NH2+])c1ccc(C)c(C)c1)CC2 ZINC001171305786 1049153682 /nfs/dbraw/zinc/15/36/82/1049153682.db2.gz JFVIRKVMOPGQCK-HNNXBMFYSA-N 1 0 342.870 4.228 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3ccc(OC)cc32)c1 ZINC000772981776 1049167480 /nfs/dbraw/zinc/16/74/80/1049167480.db2.gz AYJGNIDTHFEWLA-UWJYYQICSA-N 1 0 336.435 4.153 20 30 EIEDRO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC001171307665 1049170275 /nfs/dbraw/zinc/17/02/75/1049170275.db2.gz NPCRKXDLHYMSBU-IRXDYDNUSA-N 1 0 334.504 4.293 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000772982624 1049171135 /nfs/dbraw/zinc/17/11/35/1049171135.db2.gz DRFBDESCEJSPPF-LJQANCHMSA-N 1 0 342.483 4.197 20 30 EIEDRO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC001171307659 1049171633 /nfs/dbraw/zinc/17/16/33/1049171633.db2.gz NPCRKXDLHYMSBU-DLBZAZTESA-N 1 0 334.504 4.293 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2[C@H](C)CCC[C@H]2C)ccc1OC ZINC000772985662 1049221435 /nfs/dbraw/zinc/22/14/35/1049221435.db2.gz LUFRIZOSYNNFJM-BFYDXBDKSA-N 1 0 330.472 4.290 20 30 EIEDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000819150644 1049263770 /nfs/dbraw/zinc/26/37/70/1049263770.db2.gz UGXPLAIRKIAGDZ-LJQANCHMSA-N 1 0 342.870 4.104 20 30 EIEDRO CC(C)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000609676988 1049264584 /nfs/dbraw/zinc/26/45/84/1049264584.db2.gz JSVMGSDFYBIIGM-MAUKXSAKSA-N 1 0 329.488 4.326 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)COC3)c1 ZINC000772984820 1049266102 /nfs/dbraw/zinc/26/61/02/1049266102.db2.gz QHCHOXGWVHPKQP-YWZLYKJASA-N 1 0 336.435 4.249 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000819281071 1049299549 /nfs/dbraw/zinc/29/95/49/1049299549.db2.gz FKXITSGHYJSQKD-JQHSSLGASA-N 1 0 347.245 4.044 20 30 EIEDRO C[C@H]1SCC[N@H+](CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000609829488 1049348498 /nfs/dbraw/zinc/34/84/98/1049348498.db2.gz XPHRXLKLMOZRFP-UZLBHIALSA-N 1 0 338.476 4.116 20 30 EIEDRO C=C[C@@H](CC)CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252077 1049358131 /nfs/dbraw/zinc/35/81/31/1049358131.db2.gz AAKUTWMAAASHTI-OTWHNJEPSA-N 1 0 342.527 4.383 20 30 EIEDRO COc1ccc(C[NH2+]CCCc2ccccc2)cc1OCCCC#N ZINC000064613360 1049366767 /nfs/dbraw/zinc/36/67/67/1049366767.db2.gz VUTRGZRQGFAXSR-UHFFFAOYSA-N 1 0 338.451 4.100 20 30 EIEDRO C[C@H](NN=C1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)c1ccncc1 ZINC000819818479 1049375607 /nfs/dbraw/zinc/37/56/07/1049375607.db2.gz MQOFMYBKSABSNY-KKSFZXQISA-N 1 0 334.467 4.088 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1cccc(C#N)n1)c1ccccc1Cl ZINC000609893405 1049384728 /nfs/dbraw/zinc/38/47/28/1049384728.db2.gz DEKFYKNIHUCFBB-QGZVFWFLSA-N 1 0 328.847 4.102 20 30 EIEDRO C=CCOCCC[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000348102890 1049420105 /nfs/dbraw/zinc/42/01/05/1049420105.db2.gz NTDQBQVCKJRABK-HNNXBMFYSA-N 1 0 330.241 4.222 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCC23CCOCC3)ccc1OC ZINC000282773192 1049456204 /nfs/dbraw/zinc/45/62/04/1049456204.db2.gz UZBWVPCVRMAVKA-FQEVSTJZSA-N 1 0 345.483 4.089 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2OC2CCC2)cc1 ZINC000772998486 1049501695 /nfs/dbraw/zinc/50/16/95/1049501695.db2.gz KSLIENALAQXEAW-KRWDZBQOSA-N 1 0 335.447 4.481 20 30 EIEDRO CC[N@H+](CCOc1ccc(C#N)cc1OC)[C@H](C)c1ccc(F)cc1 ZINC000610132773 1049556601 /nfs/dbraw/zinc/55/66/01/1049556601.db2.gz CTUBOCMZSQCFIQ-OAHLLOKOSA-N 1 0 342.414 4.168 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2sc(C(C)(C)C)nc2C)cc1C#N ZINC000773083536 1049568794 /nfs/dbraw/zinc/56/87/94/1049568794.db2.gz LPIMMKBTBVSHSI-GFCCVEGCSA-N 1 0 343.496 4.480 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000773107487 1049586177 /nfs/dbraw/zinc/58/61/77/1049586177.db2.gz PQYAVZKDXAUVSX-PGRDOPGGSA-N 1 0 329.447 4.347 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000773106174 1049586954 /nfs/dbraw/zinc/58/69/54/1049586954.db2.gz KNMOAADIHBAMIW-JZXOWHBKSA-N 1 0 330.472 4.032 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)c1 ZINC000821018242 1049587385 /nfs/dbraw/zinc/58/73/85/1049587385.db2.gz YTRMCEHJCQGMHZ-FLIBITNWSA-N 1 0 345.389 4.288 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1CC)c1ccc(F)cc1 ZINC000812793464 1049590283 /nfs/dbraw/zinc/59/02/83/1049590283.db2.gz VLKQVUPQYVLJAQ-BEFAXECRSA-N 1 0 338.426 4.069 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000773114784 1049591231 /nfs/dbraw/zinc/59/12/31/1049591231.db2.gz JVCFZNALUCKLPE-WOJBJXKFSA-N 1 0 337.463 4.379 20 30 EIEDRO C=C[C@H](CC(=O)NC[C@@H]1CCCC[N@H+]1CCCC)c1ccccc1 ZINC001136465943 1049663140 /nfs/dbraw/zinc/66/31/40/1049663140.db2.gz ZEKFHFDODUHLHM-QUCCMNQESA-N 1 0 328.500 4.117 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC001136480059 1049674399 /nfs/dbraw/zinc/67/43/99/1049674399.db2.gz AHSDIZOQHWCSMA-NRFANRHFSA-N 1 0 328.500 4.281 20 30 EIEDRO C=CCN1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000237658108 1049693293 /nfs/dbraw/zinc/69/32/93/1049693293.db2.gz GLDQYRWLGAANRH-UHFFFAOYSA-N 1 0 330.859 4.340 20 30 EIEDRO C#CCCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000773303097 1049701283 /nfs/dbraw/zinc/70/12/83/1049701283.db2.gz FTXJISRUKMBTLW-LJQANCHMSA-N 1 0 346.902 4.004 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1cccc(C#N)c1 ZINC001171463307 1049714165 /nfs/dbraw/zinc/71/41/65/1049714165.db2.gz QBWBXOPJPMCDMC-FXAWDEMLSA-N 1 0 326.390 4.435 20 30 EIEDRO Cc1ccc(SCC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237697928 1049714993 /nfs/dbraw/zinc/71/49/93/1049714993.db2.gz OSXKMURFOATWMW-INIZCTEOSA-N 1 0 326.465 4.168 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)cc1 ZINC000237719716 1049731785 /nfs/dbraw/zinc/73/17/85/1049731785.db2.gz NDEMOWRLVYCQCK-UHFFFAOYSA-N 1 0 349.352 4.277 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000237746829 1049743019 /nfs/dbraw/zinc/74/30/19/1049743019.db2.gz QJOLXRDTHAAOCB-UHFFFAOYSA-N 1 0 337.316 4.146 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(C)(C)S)C[C@@H]1C(C)(C)C ZINC001171589193 1049752754 /nfs/dbraw/zinc/75/27/54/1049752754.db2.gz LFDMLEXOAFUWJD-ZIAGYGMSSA-N 1 0 344.565 4.099 20 30 EIEDRO Cc1ccc(-c2nc(C[NH2+]CCOc3ccc(C#N)cc3)cs2)cc1 ZINC000237786436 1049762526 /nfs/dbraw/zinc/76/25/26/1049762526.db2.gz WUSAKPSGWAEJOC-UHFFFAOYSA-N 1 0 349.459 4.159 20 30 EIEDRO C[NH+]1C(C)(C)CC(N[C@@](C)(C#N)c2ccccc2Cl)CC1(C)C ZINC001171623334 1049768525 /nfs/dbraw/zinc/76/85/25/1049768525.db2.gz UTIPEEIGTVYLJQ-IBGZPJMESA-N 1 0 333.907 4.320 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOc1cccc(C#N)c1 ZINC001171960726 1049824090 /nfs/dbraw/zinc/82/40/90/1049824090.db2.gz HBPGINHVKQUECM-AWEZNQCLSA-N 1 0 348.368 4.177 20 30 EIEDRO C=C(C)C[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1cnn(C(C)C)c1 ZINC000823121159 1049826014 /nfs/dbraw/zinc/82/60/14/1049826014.db2.gz GSWVKGTZTSSMND-HNNXBMFYSA-N 1 0 330.303 4.426 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000813884838 1049831592 /nfs/dbraw/zinc/83/15/92/1049831592.db2.gz LSTRWOKNYOONBX-BXTJHSDWSA-N 1 0 341.476 4.113 20 30 EIEDRO CC1(C)C[C@H](NCc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC001171974681 1049836117 /nfs/dbraw/zinc/83/61/17/1049836117.db2.gz AEQVPNKYPUNPLV-GOSISDBHSA-N 1 0 339.508 4.153 20 30 EIEDRO CCC[C@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071517 1049843788 /nfs/dbraw/zinc/84/37/88/1049843788.db2.gz XGPCYWWDTDBPJF-PLACYPQZSA-N 1 0 325.500 4.244 20 30 EIEDRO N#C[C@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC001172064545 1049851137 /nfs/dbraw/zinc/85/11/37/1049851137.db2.gz HCKZMSMNWNSXET-BJESRGMDSA-N 1 0 345.490 4.427 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180202622 1049860950 /nfs/dbraw/zinc/86/09/50/1049860950.db2.gz HUYAGBIXLVAWSS-MJGOQNOKSA-N 1 0 335.451 4.054 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000823616830 1049862979 /nfs/dbraw/zinc/86/29/79/1049862979.db2.gz CCJBUJOEXBWJLM-XIKOKIGWSA-N 1 0 332.806 4.077 20 30 EIEDRO C=CCCC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001136755518 1049865081 /nfs/dbraw/zinc/86/50/81/1049865081.db2.gz YWYQLEPDJKGWML-UXHICEINSA-N 1 0 328.500 4.117 20 30 EIEDRO C=CCOc1ccc(-c2noc([C@H](CCCCC)[NH2+]C)n2)c(F)c1 ZINC001212280920 1049868259 /nfs/dbraw/zinc/86/82/59/1049868259.db2.gz ARRJHFOOOHTUOE-INIZCTEOSA-N 1 0 333.407 4.281 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccnc(Cl)c1)C1CC1 ZINC001172301590 1049872898 /nfs/dbraw/zinc/87/28/98/1049872898.db2.gz RZPXGRDLMKAIOA-BFUOFWGJSA-N 1 0 325.843 4.279 20 30 EIEDRO CC(C)(C)OC(=O)NC1(C[NH2+]C2CCC(C)(C#N)CC2)CCCCC1 ZINC000823747783 1049873693 /nfs/dbraw/zinc/87/36/93/1049873693.db2.gz KWOOKPWVNOYILR-UHFFFAOYSA-N 1 0 349.519 4.276 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccc(Cl)cn1)C1CC1 ZINC001172303922 1049873792 /nfs/dbraw/zinc/87/37/92/1049873792.db2.gz FYRPWMOWSMVPFZ-ORAYPTAESA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCOc1cccc2ccccc21 ZINC001172302931 1049873818 /nfs/dbraw/zinc/87/38/18/1049873818.db2.gz SWZSSPMDEYMOIO-QGZVFWFLSA-N 1 0 330.431 4.311 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC001172305128 1049873857 /nfs/dbraw/zinc/87/38/57/1049873857.db2.gz QRNMRGICVZYLIO-RNODOKPDSA-N 1 0 326.390 4.435 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001172309388 1049874441 /nfs/dbraw/zinc/87/44/41/1049874441.db2.gz SNDTTXJDVAUFJZ-XXMUNEJQSA-N 1 0 338.495 4.016 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001172310005 1049874948 /nfs/dbraw/zinc/87/49/48/1049874948.db2.gz ZFOAQLDOJNJPBH-WZONZLPQSA-N 1 0 341.458 4.396 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(n2cnc3ccccc32)CC1 ZINC001172317408 1049876514 /nfs/dbraw/zinc/87/65/14/1049876514.db2.gz RBDHQNLXRHRFTA-QGZVFWFLSA-N 1 0 344.462 4.176 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Sc2ccncc2)CC1 ZINC001172318960 1049876850 /nfs/dbraw/zinc/87/68/50/1049876850.db2.gz JWDBEKFRBUUCBU-MRXNPFEDSA-N 1 0 337.492 4.141 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001172319309 1049877287 /nfs/dbraw/zinc/87/72/87/1049877287.db2.gz MJGDZYXNNUSXJC-SFHVURJKSA-N 1 0 334.463 4.170 20 30 EIEDRO COc1ccccc1C1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319495 1049877323 /nfs/dbraw/zinc/87/73/23/1049877323.db2.gz NOPKNCMAHGOPFW-KRWDZBQOSA-N 1 0 334.463 4.377 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)c(Br)c1 ZINC001172291800 1049881022 /nfs/dbraw/zinc/88/10/22/1049881022.db2.gz LFYSCOOABAOTNC-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001172294209 1049881822 /nfs/dbraw/zinc/88/18/22/1049881822.db2.gz GOFRHEKETQXTQY-SELNLUPBSA-N 1 0 347.506 4.132 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001172294203 1049881842 /nfs/dbraw/zinc/88/18/42/1049881842.db2.gz GOFRHEKETQXTQY-MSYCTHLASA-N 1 0 347.506 4.132 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC001172295350 1049881969 /nfs/dbraw/zinc/88/19/69/1049881969.db2.gz QRZVKENNDAMGDZ-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccsc1Br ZINC001172299142 1049882778 /nfs/dbraw/zinc/88/27/78/1049882778.db2.gz FVVOAEXYGZWZDW-NSHDSACASA-N 1 0 335.270 4.103 20 30 EIEDRO Cc1ccc(Cl)c(CC[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1F ZINC001172298781 1049882794 /nfs/dbraw/zinc/88/27/94/1049882794.db2.gz HOOPWDSAUKHHSE-AWEZNQCLSA-N 1 0 330.834 4.423 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Oc2ccccn2)cc1 ZINC001172300152 1049882938 /nfs/dbraw/zinc/88/29/38/1049882938.db2.gz RMFMLIHDOPLPID-QGZVFWFLSA-N 1 0 343.430 4.466 20 30 EIEDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)ccc1Br ZINC001172298002 1049882976 /nfs/dbraw/zinc/88/29/76/1049882976.db2.gz SRJHZJDLBGGEHW-CQSZACIVSA-N 1 0 343.268 4.350 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)cc1 ZINC000238141281 1049885384 /nfs/dbraw/zinc/88/53/84/1049885384.db2.gz KLROFDQOUQWGKS-HSZRJFAPSA-N 1 0 345.442 4.065 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000823882030 1049885493 /nfs/dbraw/zinc/88/54/93/1049885493.db2.gz IBBPITOETCEQDX-HMFCVHIJSA-N 1 0 349.519 4.132 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001172350038 1049891497 /nfs/dbraw/zinc/89/14/97/1049891497.db2.gz IPLQVCGVPHGWHS-RBUKOAKNSA-N 1 0 331.504 4.025 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1cc(OC2CCOCC2)ncn1 ZINC001172351065 1049892513 /nfs/dbraw/zinc/89/25/13/1049892513.db2.gz RRHZHVLZDRIARL-QGZVFWFLSA-N 1 0 349.519 4.263 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001172354845 1049893265 /nfs/dbraw/zinc/89/32/65/1049893265.db2.gz KWHWVLOTXGOSBX-QGZVFWFLSA-N 1 0 344.503 4.417 20 30 EIEDRO CCCCCCC[C@H](CC)[NH+]1CCN(CCc2ccncc2)CC1 ZINC001172354867 1049893349 /nfs/dbraw/zinc/89/33/49/1049893349.db2.gz KZVVRDHXMWTJQG-NRFANRHFSA-N 1 0 331.548 4.381 20 30 EIEDRO CCCCCCC[C@@H](CC)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001172355418 1049893788 /nfs/dbraw/zinc/89/37/88/1049893788.db2.gz BPEWUAMFVBMLKR-RBUKOAKNSA-N 1 0 334.552 4.016 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2C[C@@H](COCC)C1 ZINC001172355103 1049893944 /nfs/dbraw/zinc/89/39/44/1049893944.db2.gz NEEGEPUMAUXWIP-RBUKOAKNSA-N 1 0 335.536 4.491 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccnc(OC2CCOCC2)n1 ZINC001172356273 1049894316 /nfs/dbraw/zinc/89/43/16/1049894316.db2.gz HZMNQLYLEXMDMU-QGZVFWFLSA-N 1 0 349.519 4.263 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2C[C@@H](COCC)C1 ZINC001172355102 1049894408 /nfs/dbraw/zinc/89/44/08/1049894408.db2.gz NEEGEPUMAUXWIP-OALUTQOASA-N 1 0 335.536 4.491 20 30 EIEDRO C=C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC001136812373 1049894940 /nfs/dbraw/zinc/89/49/40/1049894940.db2.gz CYDKLVVAWDBKCF-ZVDOUQERSA-N 1 0 340.511 4.069 20 30 EIEDRO CC[C@H](C)OCC[C@H](C)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001172362755 1049896494 /nfs/dbraw/zinc/89/64/94/1049896494.db2.gz XFNLBJZANDLYAD-IRXDYDNUSA-N 1 0 332.463 4.277 20 30 EIEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](CC)CC(C)C)CC2 ZINC001172397540 1049906791 /nfs/dbraw/zinc/90/67/91/1049906791.db2.gz AKKDRCGCIPIOSZ-GOSISDBHSA-N 1 0 345.531 4.179 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001172476115 1049909141 /nfs/dbraw/zinc/90/91/41/1049909141.db2.gz HFRJUUPQKLSHNT-QFBILLFUSA-N 1 0 337.508 4.086 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1(CC2CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001172486319 1049911148 /nfs/dbraw/zinc/91/11/48/1049911148.db2.gz DEWCLPUDZNWYTH-INIZCTEOSA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001172486800 1049911430 /nfs/dbraw/zinc/91/14/30/1049911430.db2.gz DLCIZFRQUVKBDI-GDBMZVCRSA-N 1 0 329.444 4.155 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001172486805 1049911585 /nfs/dbraw/zinc/91/15/85/1049911585.db2.gz DLCIZFRQUVKBDI-HOCLYGCPSA-N 1 0 329.444 4.155 20 30 EIEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccc(F)c(F)c1 ZINC000187776452 1049915837 /nfs/dbraw/zinc/91/58/37/1049915837.db2.gz XHTMEGASFDELAN-QZTJIDSGSA-N 1 0 339.332 4.183 20 30 EIEDRO C[C@@H](CCCC#N)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001172491860 1049922017 /nfs/dbraw/zinc/92/20/17/1049922017.db2.gz KEGIOHABIQSAFK-AWEZNQCLSA-N 1 0 339.405 4.038 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001172497506 1049922032 /nfs/dbraw/zinc/92/20/32/1049922032.db2.gz CLUXSEFHCOXWFN-JRGCBEDISA-N 1 0 326.484 4.181 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC001172501400 1049922731 /nfs/dbraw/zinc/92/27/31/1049922731.db2.gz HGUBZHROOCBBOG-ROUUACIJSA-N 1 0 327.509 4.073 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC(OCC(=O)NCC)CC1 ZINC001172501525 1049922925 /nfs/dbraw/zinc/92/29/25/1049922925.db2.gz IFAFHPQPDRJHRI-GOSISDBHSA-N 1 0 340.552 4.133 20 30 EIEDRO CCC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CCCC#N ZINC001172503351 1049924092 /nfs/dbraw/zinc/92/40/92/1049924092.db2.gz FMXMLAXIECFQGX-SJORKVTESA-N 1 0 337.508 4.038 20 30 EIEDRO CCCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001172505569 1049924374 /nfs/dbraw/zinc/92/43/74/1049924374.db2.gz PHTGKEFLZWMXEK-RTBURBONSA-N 1 0 335.536 4.491 20 30 EIEDRO CCCCCCCC[C@H](CC)[N@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172505525 1049924608 /nfs/dbraw/zinc/92/46/08/1049924608.db2.gz ONNDIMXWNVSUBM-ROUUACIJSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCCC[C@H](CC)[N@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172505878 1049924619 /nfs/dbraw/zinc/92/46/19/1049924619.db2.gz WMOWHEFGMLGWAK-MOPGFXCFSA-N 1 0 335.536 4.495 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001172510334 1049925071 /nfs/dbraw/zinc/92/50/71/1049925071.db2.gz ZYBPXSSEYSAGPD-HNNXBMFYSA-N 1 0 343.471 4.474 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH+]1CC([C@@H](N)C(=O)OC(C)(C)C)C1 ZINC001172508248 1049925337 /nfs/dbraw/zinc/92/53/37/1049925337.db2.gz HYKXOAOGOCVWMK-ZWKOTPCHSA-N 1 0 340.552 4.116 20 30 EIEDRO CCCCCCC[C@@H](CCC)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001172510732 1049926975 /nfs/dbraw/zinc/92/69/75/1049926975.db2.gz IHNLDKNRUQVUCH-WOJBJXKFSA-N 1 0 348.579 4.406 20 30 EIEDRO N#Cc1ccc(N2CC[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)CC2)c(F)c1 ZINC001172567228 1049937029 /nfs/dbraw/zinc/93/70/29/1049937029.db2.gz BZBRPQFXUYNPBF-UXHICEINSA-N 1 0 349.453 4.156 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000617038595 1049944580 /nfs/dbraw/zinc/94/45/80/1049944580.db2.gz ZEBGFGLIFFUPMJ-PZJWPPBQSA-N 1 0 340.511 4.150 20 30 EIEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172549110 1049947760 /nfs/dbraw/zinc/94/77/60/1049947760.db2.gz MPLDTCQEMWZCDN-AQNXPRMDSA-N 1 0 342.483 4.089 20 30 EIEDRO CCCC[C@H]1C[C@@H]([NH+]2CCC(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001172635817 1049954239 /nfs/dbraw/zinc/95/42/39/1049954239.db2.gz QJFKQFXOHVQEIN-ROUUACIJSA-N 1 0 349.519 4.180 20 30 EIEDRO CC1(C)CC([NH+]2CCC(Oc3ccccc3C#N)CC2)CC(C)(C)O1 ZINC001172658963 1049958638 /nfs/dbraw/zinc/95/86/38/1049958638.db2.gz JOMGOIXKDGXSCJ-UHFFFAOYSA-N 1 0 342.483 4.138 20 30 EIEDRO C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000069337612 1050069394 /nfs/dbraw/zinc/06/93/94/1050069394.db2.gz PYSPWPBJALRLHB-KRWDZBQOSA-N 1 0 344.499 4.371 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000248791650 1050077640 /nfs/dbraw/zinc/07/76/40/1050077640.db2.gz IURPASFYKTWUNQ-LZQZEXGQSA-N 1 0 331.891 4.149 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1Br ZINC000248792931 1050078875 /nfs/dbraw/zinc/07/88/75/1050078875.db2.gz IXYWLBPPCKCVFV-SCRDCRAPSA-N 1 0 337.261 4.191 20 30 EIEDRO N#CCSCCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000080632727 1050113239 /nfs/dbraw/zinc/11/32/39/1050113239.db2.gz RJMWLNLHVMDTLQ-HNNXBMFYSA-N 1 0 339.302 4.233 20 30 EIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763493922 1050115363 /nfs/dbraw/zinc/11/53/63/1050115363.db2.gz UNXSTSJRZQIRLY-VBKZILBWSA-N 1 0 340.854 4.471 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000181417261 1050120467 /nfs/dbraw/zinc/12/04/67/1050120467.db2.gz NWLBXGQMMJIVAJ-QVKFZJNVSA-N 1 0 336.435 4.377 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]CCCC3CCCC3)CC2)cc1 ZINC000181430884 1050122229 /nfs/dbraw/zinc/12/22/29/1050122229.db2.gz AYARAIYXCORMNB-UHFFFAOYSA-N 1 0 325.500 4.083 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccsc1 ZINC000181491069 1050149094 /nfs/dbraw/zinc/14/90/94/1050149094.db2.gz SGKYPPKZNHSJON-BEFAXECRSA-N 1 0 327.497 4.353 20 30 EIEDRO C=CC[C@@H](C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)c1ccccc1 ZINC001177211721 1050163169 /nfs/dbraw/zinc/16/31/69/1050163169.db2.gz LWNLGAVVZANTDH-HXUWFJFHSA-N 1 0 340.511 4.213 20 30 EIEDRO Cc1ccc2c(c1)C[C@H](NC(=[NH2+])c1ccc(C(F)(F)F)cc1)CC2 ZINC001172825989 1050167126 /nfs/dbraw/zinc/16/71/26/1050167126.db2.gz MRUFRFHCSUCOAD-QGZVFWFLSA-N 1 0 332.369 4.277 20 30 EIEDRO C[C@H](Cc1c(F)cccc1Cl)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001172852104 1050191010 /nfs/dbraw/zinc/19/10/10/1050191010.db2.gz OOQDCDOLYBGPRX-GFCCVEGCSA-N 1 0 341.817 4.364 20 30 EIEDRO N#Cc1c(F)cccc1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001185913982 1050193706 /nfs/dbraw/zinc/19/37/06/1050193706.db2.gz GLDUZGKCUFBQOI-LQBOVUBWSA-N 1 0 349.453 4.410 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3ccc(F)c(C#N)c3F)cc2)CC1 ZINC001212690550 1050203224 /nfs/dbraw/zinc/20/32/24/1050203224.db2.gz NQHSGGNVSJYWLY-UHFFFAOYSA-N 1 0 327.378 4.389 20 30 EIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001177464926 1050215593 /nfs/dbraw/zinc/21/55/93/1050215593.db2.gz YIDKUFWLJRTWFQ-SFHVURJKSA-N 1 0 334.463 4.416 20 30 EIEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181599624 1050237102 /nfs/dbraw/zinc/23/71/02/1050237102.db2.gz WHINOTSOYRSYCE-KRWDZBQOSA-N 1 0 344.462 4.336 20 30 EIEDRO CO[C@H]1CCC[C@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001172941543 1050239566 /nfs/dbraw/zinc/23/95/66/1050239566.db2.gz FUYDVUJQQALSME-RDJZCZTQSA-N 1 0 348.874 4.012 20 30 EIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000774974468 1050240957 /nfs/dbraw/zinc/24/09/57/1050240957.db2.gz SDFZZZVQPDVNNG-CQSZACIVSA-N 1 0 347.256 4.220 20 30 EIEDRO CO[C@@H]1CCC[C@@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001172941541 1050241592 /nfs/dbraw/zinc/24/15/92/1050241592.db2.gz FUYDVUJQQALSME-NVXWUHKLSA-N 1 0 348.874 4.012 20 30 EIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1 ZINC000774974467 1050242197 /nfs/dbraw/zinc/24/21/97/1050242197.db2.gz SDFZZZVQPDVNNG-AWEZNQCLSA-N 1 0 347.256 4.220 20 30 EIEDRO N#CC12CCC([NH2+][C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)(CC1)CC2 ZINC001172912299 1050245173 /nfs/dbraw/zinc/24/51/73/1050245173.db2.gz NBOWXNODIXNASA-KKXNLOMOSA-N 1 0 339.439 4.048 20 30 EIEDRO N#CCC[N@H+](C1CCCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910139 1050246826 /nfs/dbraw/zinc/24/68/26/1050246826.db2.gz KDULDASUPXXYJG-SFHVURJKSA-N 1 0 327.428 4.000 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCC2CCCCCC2)C[C@H]1C#N ZINC001172976553 1050250694 /nfs/dbraw/zinc/25/06/94/1050250694.db2.gz QRXGYYPHCMXEHM-MSOLQXFVSA-N 1 0 349.519 4.228 20 30 EIEDRO CCCCCC(C)(C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976432 1050251427 /nfs/dbraw/zinc/25/14/27/1050251427.db2.gz PJFZLPSNJGCWSI-CVEARBPZSA-N 1 0 337.508 4.227 20 30 EIEDRO Cc1cc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)ccc1C#N ZINC000618192282 1050306754 /nfs/dbraw/zinc/30/67/54/1050306754.db2.gz ALWNNMOZELASCV-QFIPXVFZSA-N 1 0 333.479 4.184 20 30 EIEDRO N#Cc1cc(C[NH2+]CCc2nc(C3CCCCC3)cs2)cs1 ZINC001177899287 1050322047 /nfs/dbraw/zinc/32/20/47/1050322047.db2.gz PSZFGZPSZMDWKK-UHFFFAOYSA-N 1 0 331.510 4.456 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000618282019 1050329040 /nfs/dbraw/zinc/32/90/40/1050329040.db2.gz XGRFLEGXUUEDHH-QGZVFWFLSA-N 1 0 342.405 4.223 20 30 EIEDRO Cc1ccc([C@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181778911 1050329206 /nfs/dbraw/zinc/32/92/06/1050329206.db2.gz WXPSOJAESVVZDW-LJQANCHMSA-N 1 0 347.506 4.224 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2C[C@@H](OCCCC)C2(C)C)cc(OC)c1O ZINC001177962594 1050331348 /nfs/dbraw/zinc/33/13/48/1050331348.db2.gz RPHRHHIWNPLHHX-RBUKOAKNSA-N 1 0 347.499 4.203 20 30 EIEDRO CCCCCCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173190222 1050337023 /nfs/dbraw/zinc/33/70/23/1050337023.db2.gz WFRBVCMKRQBEOK-CYBMUJFWSA-N 1 0 326.412 4.234 20 30 EIEDRO CCCCCCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173190223 1050337586 /nfs/dbraw/zinc/33/75/86/1050337586.db2.gz WFRBVCMKRQBEOK-ZDUSSCGKSA-N 1 0 326.412 4.234 20 30 EIEDRO C=C[C@@H]([NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC001173185971 1050338475 /nfs/dbraw/zinc/33/84/75/1050338475.db2.gz QHDUJLYIAURHDI-XJKSGUPXSA-N 1 0 344.386 4.190 20 30 EIEDRO N#CC(CC[N@@H+]1CCC12CCOCC2)(c1ccccc1)c1ccccc1 ZINC000618318227 1050340554 /nfs/dbraw/zinc/34/05/54/1050340554.db2.gz JSUZRGASGNPOFF-UHFFFAOYSA-N 1 0 346.474 4.141 20 30 EIEDRO CC(C)Cn1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000181815951 1050342904 /nfs/dbraw/zinc/34/29/04/1050342904.db2.gz ZOCUTFCBDRTIKV-UHFFFAOYSA-N 1 0 344.462 4.368 20 30 EIEDRO C[NH+]1CCN(c2cccc(Nc3cccc4c(C#N)cccc34)c2)CC1 ZINC001212714657 1050360892 /nfs/dbraw/zinc/36/08/92/1050360892.db2.gz JHPLWWDGMLSKNN-UHFFFAOYSA-N 1 0 342.446 4.207 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(C#N)c1 ZINC000181866546 1050367203 /nfs/dbraw/zinc/36/72/03/1050367203.db2.gz VXFZWEZDKSJFRB-KSSFIOAISA-N 1 0 325.843 4.141 20 30 EIEDRO C#CCCCC[NH2+]Cc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC001178165621 1050393827 /nfs/dbraw/zinc/39/38/27/1050393827.db2.gz BNNQVUBNVLTTBN-UHFFFAOYSA-N 1 0 339.435 4.389 20 30 EIEDRO C[C@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc(C#N)cc1 ZINC000181954442 1050394348 /nfs/dbraw/zinc/39/43/48/1050394348.db2.gz IZDYDIHHYXIGFM-INIZCTEOSA-N 1 0 331.419 4.226 20 30 EIEDRO CCCCCCCC[C@@H](CCC)[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001173309791 1050402762 /nfs/dbraw/zinc/40/27/62/1050402762.db2.gz LMUBSHWBDQSONY-MRXNPFEDSA-N 1 0 329.550 4.073 20 30 EIEDRO CCCCCCCC[C@H](CCC)[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001173309790 1050404297 /nfs/dbraw/zinc/40/42/97/1050404297.db2.gz LMUBSHWBDQSONY-INIZCTEOSA-N 1 0 329.550 4.073 20 30 EIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[C@@H](CC)C1)CC2 ZINC001173276893 1050405633 /nfs/dbraw/zinc/40/56/33/1050405633.db2.gz ZDMOSEDLROEREY-QZTJIDSGSA-N 1 0 334.504 4.066 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC001173312985 1050406476 /nfs/dbraw/zinc/40/64/76/1050406476.db2.gz PDKKOZMNBYADRH-UHFFFAOYSA-N 1 0 339.483 4.093 20 30 EIEDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cccc(C#N)c1)O[C@H](C)C2 ZINC000181995686 1050413565 /nfs/dbraw/zinc/41/35/65/1050413565.db2.gz XWLTZWOJZWAGDO-HUUCEWRRSA-N 1 0 336.435 4.131 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC3(CCc4ccccc43)CC2)CC1 ZINC001173322143 1050414752 /nfs/dbraw/zinc/41/47/52/1050414752.db2.gz WGZVKPUKRXKDRA-UHFFFAOYSA-N 1 0 325.496 4.480 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(C#N)cc1 ZINC000618568128 1050415929 /nfs/dbraw/zinc/41/59/29/1050415929.db2.gz SFSPEFAKJJNYQN-IEBWSBKVSA-N 1 0 341.405 4.156 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001173326542 1050418337 /nfs/dbraw/zinc/41/83/37/1050418337.db2.gz JSTYKLAAPLPCAO-CBNMVNINSA-N 1 0 329.484 4.181 20 30 EIEDRO C=CCOC1CCC([N@@H+](Cc2cccc(OC)c2)[C@@H](C)COC)CC1 ZINC001173323558 1050418739 /nfs/dbraw/zinc/41/87/39/1050418739.db2.gz DGTLSYAVBMTORI-KKXNLOMOSA-N 1 0 347.499 4.046 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000618570143 1050418773 /nfs/dbraw/zinc/41/87/73/1050418773.db2.gz RJQKFMSBFBMEHH-RTWAWAEBSA-N 1 0 344.462 4.316 20 30 EIEDRO N#CCC1CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC001173330277 1050419459 /nfs/dbraw/zinc/41/94/59/1050419459.db2.gz NECTZMZLPGJQDX-KOHJWAIASA-N 1 0 327.255 4.089 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(C(C)=O)(c3ccccc3)CC2)CC1 ZINC001173327919 1050419745 /nfs/dbraw/zinc/41/97/45/1050419745.db2.gz VTOFSJXEWCGSAN-UHFFFAOYSA-N 1 0 341.495 4.123 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(CC#N)CC2)cc1Br ZINC001173328982 1050420211 /nfs/dbraw/zinc/42/02/11/1050420211.db2.gz WOUADJQRRHZODG-UHFFFAOYSA-N 1 0 337.261 4.020 20 30 EIEDRO CCC[C@@]1(C[NH2+]C2CCC(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173332248 1050422534 /nfs/dbraw/zinc/42/25/34/1050422534.db2.gz JUEZZGHYNHFOBT-UHYCVJNDSA-N 1 0 349.519 4.228 20 30 EIEDRO COc1ccc(C[C@H]2CCC[N@@H+](C3CCC(CC#N)CC3)C2)cc1 ZINC001173336534 1050424252 /nfs/dbraw/zinc/42/42/52/1050424252.db2.gz CQOYKNCPQDEXGV-SKINQDTJSA-N 1 0 326.484 4.422 20 30 EIEDRO N#CCC1CCC([NH+]2CCN(Cc3ccc4ccccc4c3)CC2)CC1 ZINC001173337063 1050425076 /nfs/dbraw/zinc/42/50/76/1050425076.db2.gz XSMXARQWBIJKFT-UHFFFAOYSA-N 1 0 347.506 4.430 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173334561 1050425240 /nfs/dbraw/zinc/42/52/40/1050425240.db2.gz UOCXBHQFMRXVEC-OFLPRAFFSA-N 1 0 349.519 4.084 20 30 EIEDRO Cc1cc(F)cc(CN2CCC([NH2+]C3CCC(CC#N)CC3)CC2)c1 ZINC001173334886 1050425358 /nfs/dbraw/zinc/42/53/58/1050425358.db2.gz ZPSAZYVRLLKGKH-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001173317195 1050438632 /nfs/dbraw/zinc/43/86/32/1050438632.db2.gz COWNKLOGVNICSL-UHFFFAOYSA-N 1 0 338.373 4.180 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC001173316173 1050439899 /nfs/dbraw/zinc/43/98/99/1050439899.db2.gz XTWUVXNGMDFCFB-UHFFFAOYSA-N 1 0 342.252 4.192 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCC[C@H]2c2ccc(OC)c(OC)c2)CC1 ZINC001173319958 1050441120 /nfs/dbraw/zinc/44/11/20/1050441120.db2.gz BSXQHTOVBGOKEW-ACBHZAAOSA-N 1 0 345.483 4.355 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCc3ccccc3C2)cc1OC ZINC001178345612 1050441152 /nfs/dbraw/zinc/44/11/52/1050441152.db2.gz BBSVEOUPSRBDOG-QGZVFWFLSA-N 1 0 337.463 4.155 20 30 EIEDRO C=CCOC1CCC(Nc2ccc(C[NH3+])cc2C(F)(F)F)CC1 ZINC001173317848 1050441338 /nfs/dbraw/zinc/44/13/38/1050441338.db2.gz KMDHTCQMEKDFTR-UHFFFAOYSA-N 1 0 328.378 4.090 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC001173320548 1050441463 /nfs/dbraw/zinc/44/14/63/1050441463.db2.gz PHYLQNCKJRFIDX-UHFFFAOYSA-N 1 0 329.484 4.181 20 30 EIEDRO CCCCC[N@H+](CCNc1cc(C#N)cc(C)n1)Cc1ccccc1 ZINC001186937535 1050444260 /nfs/dbraw/zinc/44/42/60/1050444260.db2.gz ARZMEBZWZALRSA-UHFFFAOYSA-N 1 0 336.483 4.366 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NCc2cc(C#N)ccc2N(C)C)cc1 ZINC001178501026 1050472685 /nfs/dbraw/zinc/47/26/85/1050472685.db2.gz KVUBYCYGFNRZDD-UHFFFAOYSA-N 1 0 336.483 4.078 20 30 EIEDRO CSCCCCCC[NH2+]Cc1cc(C#N)ccc1Br ZINC001178469176 1050476475 /nfs/dbraw/zinc/47/64/75/1050476475.db2.gz LNEIMDYVMYPPRE-UHFFFAOYSA-N 1 0 341.318 4.334 20 30 EIEDRO C=CCN1CC[NH+]([C@@H](C)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC001173554589 1050482176 /nfs/dbraw/zinc/48/21/76/1050482176.db2.gz OZOFASMRZSMPFN-AWEZNQCLSA-N 1 0 327.299 4.118 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(C(=O)OC)c(C)c1)c1ccc(F)c(F)c1 ZINC001178523978 1050491468 /nfs/dbraw/zinc/49/14/68/1050491468.db2.gz DNLKNIMMTVGIEZ-IBGZPJMESA-N 1 0 345.389 4.467 20 30 EIEDRO COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2C1CCC(C)(C#N)CC1 ZINC001173585976 1050493450 /nfs/dbraw/zinc/49/34/50/1050493450.db2.gz AXZDMTHMIYBGHM-GPWPYBQESA-N 1 0 325.456 4.185 20 30 EIEDRO Cc1cc(F)cc(CN2CCC([NH2+]C3CCC(C)(C#N)CC3)CC2)c1 ZINC001173591673 1050495397 /nfs/dbraw/zinc/49/53/97/1050495397.db2.gz OSTYTEDXUKLJCZ-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001173588702 1050495467 /nfs/dbraw/zinc/49/54/67/1050495467.db2.gz PEGUWBGROXSVKJ-IOJLRTSASA-N 1 0 330.447 4.355 20 30 EIEDRO C[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCC(C)(C#N)CC1 ZINC001173594118 1050496336 /nfs/dbraw/zinc/49/63/36/1050496336.db2.gz RZOWMRFSCPBITN-UHFFFAOYSA-N 1 0 349.519 4.038 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCN([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC001173596985 1050499407 /nfs/dbraw/zinc/49/94/07/1050499407.db2.gz CTMAADZKNADXGD-NJEKYYFSSA-N 1 0 337.511 4.154 20 30 EIEDRO CC[N@H+](C1CCC(C)(C#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173598247 1050500171 /nfs/dbraw/zinc/50/01/71/1050500171.db2.gz OGAPDVKEGMCMJS-OHTSDLOESA-N 1 0 349.519 4.180 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(Br)cs1 ZINC000618742621 1050500950 /nfs/dbraw/zinc/50/09/50/1050500950.db2.gz NAFFNDVXXWGNKV-OAHLLOKOSA-N 1 0 333.254 4.159 20 30 EIEDRO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173601671 1050501396 /nfs/dbraw/zinc/50/13/96/1050501396.db2.gz ZCEODCDQLXRIQT-OHTSDLOESA-N 1 0 349.519 4.180 20 30 EIEDRO Cc1cccc(C[N@@H+](Cc2ccco2)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000763502382 1050530181 /nfs/dbraw/zinc/53/01/81/1050530181.db2.gz UPPPAZCVEOUWQU-QFIPXVFZSA-N 1 0 346.430 4.196 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CCN1Cc1ccccc1 ZINC000618805549 1050534058 /nfs/dbraw/zinc/53/40/58/1050534058.db2.gz HMUKLJUUKORBQZ-FHZYATBESA-N 1 0 345.490 4.188 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618805304 1050534156 /nfs/dbraw/zinc/53/41/56/1050534156.db2.gz GAIPHZGJGTXYMP-UXHICEINSA-N 1 0 333.391 4.121 20 30 EIEDRO CC(C)(S)C[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173708249 1050549733 /nfs/dbraw/zinc/54/97/33/1050549733.db2.gz PGPAZECNPWHIIO-IBGZPJMESA-N 1 0 341.520 4.421 20 30 EIEDRO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000093303295 1050557831 /nfs/dbraw/zinc/55/78/31/1050557831.db2.gz BQFHZQKQFAMALQ-SFHVURJKSA-N 1 0 336.479 4.261 20 30 EIEDRO CCC[N@H+](CCC#N)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173789467 1050571958 /nfs/dbraw/zinc/57/19/58/1050571958.db2.gz JENDLTDTPCLVCS-UHFFFAOYSA-N 1 0 328.456 4.264 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC001178939677 1050591909 /nfs/dbraw/zinc/59/19/09/1050591909.db2.gz NWUHPOMTGYPMGN-QFIPXVFZSA-N 1 0 349.453 4.348 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)nc1 ZINC001178939755 1050592182 /nfs/dbraw/zinc/59/21/82/1050592182.db2.gz RQIQAOJWNIKUNM-INIZCTEOSA-N 1 0 331.257 4.121 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC001178971437 1050601895 /nfs/dbraw/zinc/60/18/95/1050601895.db2.gz GKDYKDXUAQIQJN-FQEVSTJZSA-N 1 0 346.409 4.255 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC001179142437 1050631587 /nfs/dbraw/zinc/63/15/87/1050631587.db2.gz IERSQBAVZPJTOR-CZUORRHYSA-N 1 0 348.288 4.321 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000619067889 1050637522 /nfs/dbraw/zinc/63/75/22/1050637522.db2.gz BFYYDDHMDIFATB-UHFFFAOYSA-N 1 0 331.419 4.083 20 30 EIEDRO COc1ccc(O)c([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000182393688 1050639739 /nfs/dbraw/zinc/63/97/39/1050639739.db2.gz CHFNYSPNQJBRIO-ZDUSSCGKSA-N 1 0 349.352 4.122 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)cc1 ZINC001179253363 1050660158 /nfs/dbraw/zinc/66/01/58/1050660158.db2.gz POPMDTDIEZJAFX-VQTJNVASSA-N 1 0 327.855 4.169 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cc3ccccc3cc2OC)cc1C#N ZINC001179447829 1050692644 /nfs/dbraw/zinc/69/26/44/1050692644.db2.gz SVHNBYZUTZKHME-UHFFFAOYSA-N 1 0 332.403 4.018 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)cc1C#N ZINC001179562571 1050715497 /nfs/dbraw/zinc/71/54/97/1050715497.db2.gz GFAVJWWIXLENNE-NRFANRHFSA-N 1 0 333.479 4.009 20 30 EIEDRO N#Cc1cc(C[NH2+]C[C@@H](Cc2ccccc2)c2ccccn2)cs1 ZINC001179821728 1050776359 /nfs/dbraw/zinc/77/63/59/1050776359.db2.gz GRDRKUWDOITXJE-GOSISDBHSA-N 1 0 333.460 4.131 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(Br)cn1 ZINC000619465915 1050790737 /nfs/dbraw/zinc/79/07/37/1050790737.db2.gz GKMYMBDDWVKBRV-PIGZYNQJSA-N 1 0 342.240 4.054 20 30 EIEDRO CN1Cc2ccccc2[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508617 1050796313 /nfs/dbraw/zinc/79/63/13/1050796313.db2.gz PGPWIOOSJWHAQR-VXKWHMMOSA-N 1 0 331.463 4.102 20 30 EIEDRO Cc1ccc2nc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cn2c1 ZINC000619508279 1050797833 /nfs/dbraw/zinc/79/78/33/1050797833.db2.gz LIORKLCDOUOOQI-FQEVSTJZSA-N 1 0 330.435 4.072 20 30 EIEDRO Cc1cc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC001179947539 1050828803 /nfs/dbraw/zinc/82/88/03/1050828803.db2.gz WDSGAVGXWOPHMB-UHFFFAOYSA-N 1 0 349.261 4.168 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)C[C@H](C)c2nccs2)c1O ZINC000182841167 1050846990 /nfs/dbraw/zinc/84/69/90/1050846990.db2.gz RRYUQILFEKXWNO-AWEZNQCLSA-N 1 0 346.496 4.211 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC000619655154 1050847201 /nfs/dbraw/zinc/84/72/01/1050847201.db2.gz DORUBIKOVNRTLL-UHFFFAOYSA-N 1 0 342.874 4.004 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(OC)ccc2OC(F)F)cc1 ZINC000152771214 1050849852 /nfs/dbraw/zinc/84/98/52/1050849852.db2.gz JDMMGFFVMWFFFJ-UHFFFAOYSA-N 1 0 349.377 4.151 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CSCCc3ccccc32)cc1Cl ZINC000619755118 1050884669 /nfs/dbraw/zinc/88/46/69/1050884669.db2.gz UGNLATUWFUQZIO-GOSISDBHSA-N 1 0 328.868 4.332 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000182928180 1050887230 /nfs/dbraw/zinc/88/72/30/1050887230.db2.gz CLFZZSHILVGUTO-AWEZNQCLSA-N 1 0 341.480 4.143 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000182928159 1050887603 /nfs/dbraw/zinc/88/76/03/1050887603.db2.gz CLFZZSHILVGUTO-CQSZACIVSA-N 1 0 341.480 4.143 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1Cl ZINC000619748852 1050896753 /nfs/dbraw/zinc/89/67/53/1050896753.db2.gz QSTBHEDZGWJEQT-UHFFFAOYSA-N 1 0 333.218 4.090 20 30 EIEDRO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccccc2Br)CC1 ZINC000152966235 1050912918 /nfs/dbraw/zinc/91/29/18/1050912918.db2.gz ZDGFNMNUKJCWPA-AWEZNQCLSA-N 1 0 337.305 4.140 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000619822886 1050921026 /nfs/dbraw/zinc/92/10/26/1050921026.db2.gz YZTJHQCUAJYPPO-ISTRZQFTSA-N 1 0 333.273 4.498 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000153047377 1050943357 /nfs/dbraw/zinc/94/33/57/1050943357.db2.gz XJOYTHBYOGVFTF-KRWDZBQOSA-N 1 0 346.515 4.175 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 ZINC000183039107 1050945279 /nfs/dbraw/zinc/94/52/79/1050945279.db2.gz ZZZVRVYAXMTNQR-RDTXWAMCSA-N 1 0 325.843 4.141 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 ZINC000183039088 1050946029 /nfs/dbraw/zinc/94/60/29/1050946029.db2.gz ZZZVRVYAXMTNQR-KBXCAEBGSA-N 1 0 325.843 4.141 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N(CC)CC[NH+](CC)CC)c1 ZINC001189263257 1050950630 /nfs/dbraw/zinc/95/06/30/1050950630.db2.gz FYYRUWWUCDJMMX-UHFFFAOYSA-N 1 0 345.531 4.328 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@@H]([N@@H+](C)C(C)C)C2)c1 ZINC001189268035 1050954454 /nfs/dbraw/zinc/95/44/54/1050954454.db2.gz QKGPTVHAPDRUTC-LJQANCHMSA-N 1 0 343.515 4.079 20 30 EIEDRO C[NH+](C)CCOc1cc(F)ccc1Nc1ccc(Cl)c(C#N)c1 ZINC001174404104 1050976832 /nfs/dbraw/zinc/97/68/32/1050976832.db2.gz GMMWWEPIUXOPOA-UHFFFAOYSA-N 1 0 333.794 4.035 20 30 EIEDRO C#CCCC[NH2+][C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000775253090 1050992368 /nfs/dbraw/zinc/99/23/68/1050992368.db2.gz OZUCFFDSQHDIGY-HXUWFJFHSA-N 1 0 337.463 4.299 20 30 EIEDRO C=CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccccc1 ZINC001189754191 1051051298 /nfs/dbraw/zinc/05/12/98/1051051298.db2.gz KFFRGQMWXZJLTP-LJQANCHMSA-N 1 0 338.451 4.313 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC000620310209 1051098188 /nfs/dbraw/zinc/09/81/88/1051098188.db2.gz JEZXNCAGMBVOPM-BGYRXZFFSA-N 1 0 326.484 4.242 20 30 EIEDRO C#CCCCCCC[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001174662798 1051131601 /nfs/dbraw/zinc/13/16/01/1051131601.db2.gz RJDLHKQSUXMKOW-NVXWUHKLSA-N 1 0 325.374 4.094 20 30 EIEDRO N#Cc1ccc(-c2ccccc2NC(=O)CC23CCC[NH+]2CCC3)cc1 ZINC001181107791 1051150016 /nfs/dbraw/zinc/15/00/16/1051150016.db2.gz IVEYXWBXTVHQJI-UHFFFAOYSA-N 1 0 345.446 4.182 20 30 EIEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC2C[C@@H](C)C[C@H](C)C2)c1 ZINC001190400325 1051168345 /nfs/dbraw/zinc/16/83/45/1051168345.db2.gz YBAWZDYNDDNACK-IRXDYDNUSA-N 1 0 326.484 4.001 20 30 EIEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cccc2ccccc21 ZINC001190373575 1051173348 /nfs/dbraw/zinc/17/33/48/1051173348.db2.gz BAPFZWNXQFIMQG-MRXNPFEDSA-N 1 0 343.430 4.170 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccccc2C)cc1 ZINC001190408310 1051176683 /nfs/dbraw/zinc/17/66/83/1051176683.db2.gz WARMAXVZYCVXRW-NRFANRHFSA-N 1 0 332.447 4.142 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001190458211 1051191573 /nfs/dbraw/zinc/19/15/73/1051191573.db2.gz YWIZUAVYHPJFDV-LJQANCHMSA-N 1 0 349.833 4.209 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC001181265459 1051194034 /nfs/dbraw/zinc/19/40/34/1051194034.db2.gz DQPYDVGIYZOLEJ-OAHLLOKOSA-N 1 0 346.906 4.344 20 30 EIEDRO Clc1ccccc1C#CCN1CCC(Oc2ccccc2)CC1 ZINC001190502849 1051196325 /nfs/dbraw/zinc/19/63/25/1051196325.db2.gz FOZXYVXZLIPLSV-UHFFFAOYSA-N 1 0 325.839 4.235 20 30 EIEDRO CC[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001190503387 1051197900 /nfs/dbraw/zinc/19/79/00/1051197900.db2.gz RUPTXZIHULYWGH-INIZCTEOSA-N 1 0 347.890 4.160 20 30 EIEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC001181360958 1051210444 /nfs/dbraw/zinc/21/04/44/1051210444.db2.gz KRUOONWREPGGKH-ICSRJNTNSA-N 1 0 330.516 4.435 20 30 EIEDRO COc1cccc(C[N@H+](CCOc2ccccc2C#N)CC(C)C)c1 ZINC001190560977 1051216180 /nfs/dbraw/zinc/21/61/80/1051216180.db2.gz OBZSPYMHMIEABZ-UHFFFAOYSA-N 1 0 338.451 4.104 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000775399278 1051223842 /nfs/dbraw/zinc/22/38/42/1051223842.db2.gz QRIRRVBHMHZXLU-INIZCTEOSA-N 1 0 347.245 4.286 20 30 EIEDRO N#CC1(C[C@H](O)C[N@H+](CCc2ccccc2F)C2CCCC2)CCC1 ZINC001190635797 1051240800 /nfs/dbraw/zinc/24/08/00/1051240800.db2.gz QATJNLJZOJHTME-IBGZPJMESA-N 1 0 344.474 4.058 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000775408669 1051268309 /nfs/dbraw/zinc/26/83/09/1051268309.db2.gz BNLNPAXSIPUQPC-QZTJIDSGSA-N 1 0 344.817 4.051 20 30 EIEDRO C#CC[N@@H+](CCCC=C)[C@@H]1CCOc2ccc(Br)cc21 ZINC001191038392 1051332617 /nfs/dbraw/zinc/33/26/17/1051332617.db2.gz JLRNVCNYRFACPY-MRXNPFEDSA-N 1 0 334.257 4.174 20 30 EIEDRO CCCCCCCNC(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC001191113364 1051357262 /nfs/dbraw/zinc/35/72/62/1051357262.db2.gz ZGDXABNVPSLNCV-UHFFFAOYSA-N 1 0 349.494 4.060 20 30 EIEDRO CC1(C)[C@@H]2C[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C[C@@H]21 ZINC001191203139 1051384925 /nfs/dbraw/zinc/38/49/25/1051384925.db2.gz LBBXTXRXINKCMU-OYRHEFFESA-N 1 0 330.475 4.474 20 30 EIEDRO N#Cc1c(F)cccc1C[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC001182070740 1051391372 /nfs/dbraw/zinc/39/13/72/1051391372.db2.gz CFXKWXHNGDIQLR-UHFFFAOYSA-N 1 0 339.197 4.173 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC001175202934 1051419984 /nfs/dbraw/zinc/41/99/84/1051419984.db2.gz HMUDMYCBLFTHIA-OAQYLSRUSA-N 1 0 338.451 4.241 20 30 EIEDRO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC001182217051 1051434172 /nfs/dbraw/zinc/43/41/72/1051434172.db2.gz YYUOFVIHLFIKIV-UGKGYDQZSA-N 1 0 332.447 4.132 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC001191416921 1051453233 /nfs/dbraw/zinc/45/32/33/1051453233.db2.gz LBDPROQPQLKBLR-OAQYLSRUSA-N 1 0 333.479 4.276 20 30 EIEDRO C[C@]1(CCc2ccccc2)CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC001191444509 1051459277 /nfs/dbraw/zinc/45/92/77/1051459277.db2.gz NDAGVSGNBIZMAT-QFIPXVFZSA-N 1 0 334.463 4.282 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001191508575 1051470025 /nfs/dbraw/zinc/47/00/25/1051470025.db2.gz DDRUONKMWGIHET-KRWDZBQOSA-N 1 0 342.483 4.119 20 30 EIEDRO CCOc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(C)c1 ZINC001175243103 1051470647 /nfs/dbraw/zinc/47/06/47/1051470647.db2.gz MUBJKUIXBTWHFH-UHFFFAOYSA-N 1 0 327.453 4.058 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000774230278 1051507515 /nfs/dbraw/zinc/50/75/15/1051507515.db2.gz HWRSLUTVBIHMDH-VOBQZIQPSA-N 1 0 326.415 4.250 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC001191646448 1051509140 /nfs/dbraw/zinc/50/91/40/1051509140.db2.gz NGMFEEYLUBEXKN-JOCHJYFZSA-N 1 0 344.458 4.148 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccc(C#N)cc1 ZINC000774300827 1051545459 /nfs/dbraw/zinc/54/54/59/1051545459.db2.gz DTHYCQFGTGKBBB-RTBURBONSA-N 1 0 328.456 4.065 20 30 EIEDRO OCC[N@H+](CC#Cc1ccccc1Cl)[C@H]1CCCc2ccccc21 ZINC001192022390 1051614399 /nfs/dbraw/zinc/61/43/99/1051614399.db2.gz LCAWYZIPHVYULO-NRFANRHFSA-N 1 0 339.866 4.063 20 30 EIEDRO OCC[N@H+](CC#Cc1ccccc1Cl)[C@@H]1CCCc2ccccc21 ZINC001192022394 1051615312 /nfs/dbraw/zinc/61/53/12/1051615312.db2.gz LCAWYZIPHVYULO-OAQYLSRUSA-N 1 0 339.866 4.063 20 30 EIEDRO N#Cc1cc(F)ccc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC001175452476 1051623428 /nfs/dbraw/zinc/62/34/28/1051623428.db2.gz FAQGQVIBPNRVLZ-UHFFFAOYSA-N 1 0 345.421 4.173 20 30 EIEDRO CC(C)(C)[N@H+](CCOc1ccccc1C#N)Cc1ccc(F)cc1 ZINC001192052917 1051626622 /nfs/dbraw/zinc/62/66/22/1051626622.db2.gz PSGJKCDQATUWPA-UHFFFAOYSA-N 1 0 326.415 4.377 20 30 EIEDRO N#Cc1nc2ccc(NC3=CC[N@H+](Cc4ccccc4)CC3)cc2s1 ZINC001175506330 1051640927 /nfs/dbraw/zinc/64/09/27/1051640927.db2.gz VFPMOEQSUPMKTQ-UHFFFAOYSA-N 1 0 346.459 4.370 20 30 EIEDRO CC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1cccc(OC)c1OC ZINC001175525114 1051650480 /nfs/dbraw/zinc/65/04/80/1051650480.db2.gz YGGIJAKRYOWCNP-SFHVURJKSA-N 1 0 343.854 4.450 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@@H](Cc2cccnc2)C2CCCC2)c1 ZINC001175600749 1051664566 /nfs/dbraw/zinc/66/45/66/1051664566.db2.gz BEWDDMIBJLBARX-NRFANRHFSA-N 1 0 338.882 4.478 20 30 EIEDRO C=CC[NH+](CC=C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000158137611 1051717914 /nfs/dbraw/zinc/71/79/14/1051717914.db2.gz FTGLWCYRAHOCMW-UHFFFAOYSA-N 1 0 344.462 4.167 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001192444582 1051734860 /nfs/dbraw/zinc/73/48/60/1051734860.db2.gz XKKXIQICXGWFCC-KRWDZBQOSA-N 1 0 340.854 4.482 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(C(=O)OCc3ccccc3)[nH]2)CCCC1 ZINC001182902189 1051736796 /nfs/dbraw/zinc/73/67/96/1051736796.db2.gz KLZRCAIDBSSJTB-UHFFFAOYSA-N 1 0 338.451 4.350 20 30 EIEDRO N#Cc1cccc(C#N)c1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175800404 1051766659 /nfs/dbraw/zinc/76/66/59/1051766659.db2.gz UYBNRTQDQISCIS-UHFFFAOYSA-N 1 0 346.434 4.038 20 30 EIEDRO N#CC1(CCCC[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CCC1 ZINC001192585435 1051770915 /nfs/dbraw/zinc/77/09/15/1051770915.db2.gz VAHKMVWENZEDFD-HXUWFJFHSA-N 1 0 340.467 4.363 20 30 EIEDRO C=CCC[C@H]([NH2+]C/C=C\C(=O)OCC)c1ccc(C(F)(F)F)cc1 ZINC001192635733 1051785025 /nfs/dbraw/zinc/78/50/25/1051785025.db2.gz QLZGBVSMWKNISR-IOBAAEILSA-N 1 0 341.373 4.422 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(-c4ccccc4)nc3)sc2C1 ZINC001175832213 1051795194 /nfs/dbraw/zinc/79/51/94/1051795194.db2.gz AXYFLIUEWSMIDK-UHFFFAOYSA-N 1 0 346.459 4.413 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000774593041 1051796246 /nfs/dbraw/zinc/79/62/46/1051796246.db2.gz WQJJKUZDSWTMMR-MRXNPFEDSA-N 1 0 325.836 4.262 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cnn(C4CCCCC4)c3)sc2C1 ZINC001175878462 1051811540 /nfs/dbraw/zinc/81/15/40/1051811540.db2.gz HMPYYOYGQRQIOU-UHFFFAOYSA-N 1 0 341.484 4.053 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1Cl ZINC000774613012 1051825295 /nfs/dbraw/zinc/82/52/95/1051825295.db2.gz GQOPMSGPRDKKPQ-IBGZPJMESA-N 1 0 346.833 4.296 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(C)c(F)c1 ZINC001192909390 1051829428 /nfs/dbraw/zinc/82/94/28/1051829428.db2.gz IPMXXRSEYOHTIY-SFHVURJKSA-N 1 0 339.414 4.075 20 30 EIEDRO O=[N+]([O-])c1ccc(CN(CC#Cc2cccc(Cl)c2)C2CC2)cc1 ZINC001192930770 1051838886 /nfs/dbraw/zinc/83/88/86/1051838886.db2.gz YPQPRWQSTSJRFR-UHFFFAOYSA-N 1 0 340.810 4.264 20 30 EIEDRO C=CCC1(CNC(=O)c2cccc([C@H]3CCC[N@@H+](C)C3)c2)CCCC1 ZINC001183460076 1051846614 /nfs/dbraw/zinc/84/66/14/1051846614.db2.gz JRVSSAMWXZLXKJ-FQEVSTJZSA-N 1 0 340.511 4.362 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)CCCC2 ZINC001183524969 1051851468 /nfs/dbraw/zinc/85/14/68/1051851468.db2.gz AAARGYQFPMOVPE-RHSMWYFYSA-N 1 0 330.472 4.389 20 30 EIEDRO Clc1cccc(C#CC[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC001193012306 1051853225 /nfs/dbraw/zinc/85/32/25/1051853225.db2.gz PKGDIDYKAVPLNB-LJQANCHMSA-N 1 0 349.865 4.206 20 30 EIEDRO C#Cc1cccc(Nc2cccc(F)c2OCC2CC[NH+](C)CC2)c1 ZINC001175978074 1051856479 /nfs/dbraw/zinc/85/64/79/1051856479.db2.gz NQKPDTCZUCPFKN-UHFFFAOYSA-N 1 0 338.426 4.271 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1cc(C#N)ccn1 ZINC001193082897 1051865112 /nfs/dbraw/zinc/86/51/12/1051865112.db2.gz TUZMMILQBDRVHL-CYBMUJFWSA-N 1 0 334.448 4.236 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1)[C@@H]1CCCO1 ZINC000775574573 1051870852 /nfs/dbraw/zinc/87/08/52/1051870852.db2.gz RAXDHNFHIDQDSV-BUVFEPMLSA-N 1 0 335.447 4.194 20 30 EIEDRO CC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000775578356 1051871960 /nfs/dbraw/zinc/87/19/60/1051871960.db2.gz VYTIWHNDGQWEDZ-YJYMSZOUSA-N 1 0 346.833 4.467 20 30 EIEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2Br)C1 ZINC001176070803 1051886658 /nfs/dbraw/zinc/88/66/58/1051886658.db2.gz QEFGHVPBRXCNJN-GFCCVEGCSA-N 1 0 326.665 4.256 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000184376761 1051931229 /nfs/dbraw/zinc/93/12/29/1051931229.db2.gz KYRCHALDDHZYEA-CYBMUJFWSA-N 1 0 335.432 4.062 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)cc1C#N ZINC001193517139 1051942574 /nfs/dbraw/zinc/94/25/74/1051942574.db2.gz NVNGVTYHBNDGIV-LJQANCHMSA-N 1 0 344.462 4.129 20 30 EIEDRO C=CCn1ncc2ccc(NC3CC[NH+](C4CCCCC4)CC3)cc21 ZINC001184064710 1051942766 /nfs/dbraw/zinc/94/27/66/1051942766.db2.gz FDWMTIWLHDENOX-UHFFFAOYSA-N 1 0 338.499 4.431 20 30 EIEDRO Cc1cc(C#N)cc(Cl)c1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176226910 1051964275 /nfs/dbraw/zinc/96/42/75/1051964275.db2.gz HPLZEERSEKIKQF-UHFFFAOYSA-N 1 0 329.831 4.204 20 30 EIEDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001193649926 1051967340 /nfs/dbraw/zinc/96/73/40/1051967340.db2.gz ZMBYDWPIYDNMLL-KBXCAEBGSA-N 1 0 347.890 4.489 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2ccc(Br)c(F)c2C#N)cc1 ZINC001176292532 1051981248 /nfs/dbraw/zinc/98/12/48/1051981248.db2.gz RMTYBCXXZVRMHH-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc4cccc2c43)c1 ZINC001176333324 1051993108 /nfs/dbraw/zinc/99/31/08/1051993108.db2.gz CXVVHWDGXJYPOG-RTWAWAEBSA-N 1 0 328.415 4.022 20 30 EIEDRO CC(C)C[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1OC(F)F ZINC001176344820 1051999223 /nfs/dbraw/zinc/99/92/23/1051999223.db2.gz IWPWUDXTXYIFKD-UHFFFAOYSA-N 1 0 345.393 4.213 20 30 EIEDRO C[NH+](C)CCCOc1ccc(Nc2cccc3c(C#N)cccc23)cn1 ZINC001176356201 1052035675 /nfs/dbraw/zinc/03/56/75/1052035675.db2.gz POFZADVMMNMKRB-UHFFFAOYSA-N 1 0 346.434 4.181 20 30 EIEDRO C=CCCCCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001194152541 1052088645 /nfs/dbraw/zinc/08/86/45/1052088645.db2.gz COYLWMWVHJCPBS-LJQANCHMSA-N 1 0 336.520 4.456 20 30 EIEDRO N#Cc1cncc(C[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001194262522 1052119568 /nfs/dbraw/zinc/11/95/68/1052119568.db2.gz OPYHEJCCYMAVFE-QGZVFWFLSA-N 1 0 345.368 4.352 20 30 EIEDRO C[NH+]1CCC(COc2ccccc2Nc2ccc(F)c(C#N)c2)CC1 ZINC001176618871 1052143429 /nfs/dbraw/zinc/14/34/29/1052143429.db2.gz XYPIKVHZCBQVRS-UHFFFAOYSA-N 1 0 339.414 4.162 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(OC)cc1 ZINC000774815433 1052158713 /nfs/dbraw/zinc/15/87/13/1052158713.db2.gz DWLZYXJDKINIAQ-GOSISDBHSA-N 1 0 344.842 4.492 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001194505078 1052161592 /nfs/dbraw/zinc/16/15/92/1052161592.db2.gz JYOWEPUENMPHRL-HRAATJIYSA-N 1 0 336.435 4.197 20 30 EIEDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC001194533507 1052163919 /nfs/dbraw/zinc/16/39/19/1052163919.db2.gz CAQAMDZLSBHDOT-FQEVSTJZSA-N 1 0 334.463 4.330 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](C)N2CCCC[C@@H]2C)ccc1OC ZINC000622266600 1052169441 /nfs/dbraw/zinc/16/94/41/1052169441.db2.gz MPFJIAKBJCZLSU-ZWKOTPCHSA-N 1 0 346.515 4.003 20 30 EIEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC001176767311 1052192509 /nfs/dbraw/zinc/19/25/09/1052192509.db2.gz FIOYKQQOLQFOFR-ROUUACIJSA-N 1 0 334.891 4.338 20 30 EIEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC001176767312 1052192874 /nfs/dbraw/zinc/19/28/74/1052192874.db2.gz FIOYKQQOLQFOFR-ZWKOTPCHSA-N 1 0 334.891 4.338 20 30 EIEDRO C#C[C@@H]1CCCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001176832767 1052195883 /nfs/dbraw/zinc/19/58/83/1052195883.db2.gz HYSKBGNRJLEAGM-MSRNWOCLSA-N 1 0 346.515 4.042 20 30 EIEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072605865 1052497281 /nfs/dbraw/zinc/49/72/81/1052497281.db2.gz WRVLDFFKJOZINI-DLBZAZTESA-N 1 0 338.455 4.303 20 30 EIEDRO CCC[N@H+](CCc1cccs1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000185587086 1052651092 /nfs/dbraw/zinc/65/10/92/1052651092.db2.gz MORBYIQDWAPLLV-INIZCTEOSA-N 1 0 328.481 4.494 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2cc(F)cc(F)c2)ccc1OC ZINC000623450280 1052657633 /nfs/dbraw/zinc/65/76/33/1052657633.db2.gz USQYYANCCLCDOY-UHFFFAOYSA-N 1 0 347.405 4.261 20 30 EIEDRO N#Cc1cccc(COc2ccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000272913987 1052786061 /nfs/dbraw/zinc/78/60/61/1052786061.db2.gz RXZNMFAWDNMTRH-SFTDATJTSA-N 1 0 347.462 4.176 20 30 EIEDRO CO[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000623967696 1052844542 /nfs/dbraw/zinc/84/45/42/1052844542.db2.gz GEWSXNJYQKWSDC-QPUJVOFHSA-N 1 0 347.274 4.463 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)N[C@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000764041445 1053022754 /nfs/dbraw/zinc/02/27/54/1053022754.db2.gz BZRONHUPBHEKMJ-IBGZPJMESA-N 1 0 342.508 4.195 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1Cl ZINC000850193250 1053083971 /nfs/dbraw/zinc/08/39/71/1053083971.db2.gz BISCPNOFOZNZNF-UHFFFAOYSA-N 1 0 326.827 4.194 20 30 EIEDRO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000775610026 1053090094 /nfs/dbraw/zinc/09/00/94/1053090094.db2.gz JPSFBQKRXQZAES-OAQYLSRUSA-N 1 0 336.479 4.352 20 30 EIEDRO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001194754628 1053094495 /nfs/dbraw/zinc/09/44/95/1053094495.db2.gz HKQMZKKGOMIINB-QGZVFWFLSA-N 1 0 329.463 4.200 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)cc1 ZINC000850387921 1053160179 /nfs/dbraw/zinc/16/01/79/1053160179.db2.gz CTTKPPATYZSOHC-LZQZEXGQSA-N 1 0 342.483 4.193 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850399683 1053170250 /nfs/dbraw/zinc/17/02/50/1053170250.db2.gz ONJLKQSOLYPSLH-DSSZZKGTSA-N 1 0 327.255 4.089 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000764558385 1053177374 /nfs/dbraw/zinc/17/73/74/1053177374.db2.gz FMUJUOXTHAMPQP-HNAYVOBHSA-N 1 0 331.843 4.202 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc3cnccc3o2)c1 ZINC000850442170 1053216250 /nfs/dbraw/zinc/21/62/50/1053216250.db2.gz BPAFRSGIENKJKY-YOEHRIQHSA-N 1 0 335.407 4.360 20 30 EIEDRO C=C(C)CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002642 1053226236 /nfs/dbraw/zinc/22/62/36/1053226236.db2.gz LJYULPFZNQWJBQ-FCHUYYIVSA-N 1 0 338.470 4.350 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccccc1NCc1ccc(Cl)cc1 ZINC000764658319 1053249474 /nfs/dbraw/zinc/24/94/74/1053249474.db2.gz MRLHKVJKZPDNFQ-UHFFFAOYSA-N 1 0 343.858 4.008 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000850482633 1053252262 /nfs/dbraw/zinc/25/22/62/1053252262.db2.gz QIMSKEUHJQMTAV-SZVBFZGTSA-N 1 0 327.472 4.002 20 30 EIEDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000850484833 1053255435 /nfs/dbraw/zinc/25/54/35/1053255435.db2.gz RCMNLVMPLVMUAS-KXBFYZLASA-N 1 0 326.415 4.400 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)s1 ZINC001195074843 1053261939 /nfs/dbraw/zinc/26/19/39/1053261939.db2.gz OVIWYTQFGNEXFB-UHFFFAOYSA-N 1 0 332.419 4.353 20 30 EIEDRO C[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2)c1ccc(OCC#N)cc1 ZINC000850545391 1053304745 /nfs/dbraw/zinc/30/47/45/1053304745.db2.gz CEIOFLWBNBVXFV-IPELMVKDSA-N 1 0 342.483 4.366 20 30 EIEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000850551782 1053306512 /nfs/dbraw/zinc/30/65/12/1053306512.db2.gz VIEAICGDVWVIPA-MRXNPFEDSA-N 1 0 349.519 4.086 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCc2cccc3cccnc32)cc1 ZINC000764819005 1053327742 /nfs/dbraw/zinc/32/77/42/1053327742.db2.gz YTEZXARRFUSPLC-KRWDZBQOSA-N 1 0 330.431 4.140 20 30 EIEDRO C[C@@H](CC1CCCCC1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552056746 1053367390 /nfs/dbraw/zinc/36/73/90/1053367390.db2.gz QKIAXXUOWKNLCL-KRWDZBQOSA-N 1 0 325.500 4.476 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000776499359 1053384611 /nfs/dbraw/zinc/38/46/11/1053384611.db2.gz UTXDDZGRQKNQDQ-IBGZPJMESA-N 1 0 341.838 4.356 20 30 EIEDRO CC1(C)C[C@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001195376477 1053392791 /nfs/dbraw/zinc/39/27/91/1053392791.db2.gz LGDVNHTWRBLYGL-HXUWFJFHSA-N 1 0 347.462 4.360 20 30 EIEDRO C#CC1CC[NH+](Cc2ccc(SCC)cc2Br)CC1 ZINC001195464735 1053402936 /nfs/dbraw/zinc/40/29/36/1053402936.db2.gz ZSCHMJINLHHKFM-UHFFFAOYSA-N 1 0 338.314 4.406 20 30 EIEDRO CCC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H](O)c1ccccc1 ZINC000794829729 1053442115 /nfs/dbraw/zinc/44/21/15/1053442115.db2.gz FXDKFHFRTFOYAI-BHIFYINESA-N 1 0 334.463 4.428 20 30 EIEDRO C[C@H](Cc1cccc(F)c1)[NH2+]CCSCc1ccccc1C#N ZINC000765357799 1053513838 /nfs/dbraw/zinc/51/38/38/1053513838.db2.gz BPVBENRRBWTSCF-OAHLLOKOSA-N 1 0 328.456 4.151 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2Br)cc1 ZINC000765460555 1053555739 /nfs/dbraw/zinc/55/57/39/1053555739.db2.gz IFKAKQQYWFSJTQ-AWEZNQCLSA-N 1 0 344.252 4.312 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000852319756 1053567199 /nfs/dbraw/zinc/56/71/99/1053567199.db2.gz CBSBLIDNHAJYIB-GOSISDBHSA-N 1 0 349.519 4.039 20 30 EIEDRO Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC[C@@H](CC#N)C1 ZINC000852318829 1053567764 /nfs/dbraw/zinc/56/77/64/1053567764.db2.gz CEQQBIFDIHVTKG-KRWDZBQOSA-N 1 0 342.874 4.019 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCC(OC(C)(C)C)CC2)cc1 ZINC000865698285 1053575113 /nfs/dbraw/zinc/57/51/13/1053575113.db2.gz LWBKWFUPHBQRJN-DMKPSLHHSA-N 1 0 330.472 4.193 20 30 EIEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000852442963 1053580696 /nfs/dbraw/zinc/58/06/96/1053580696.db2.gz IVQPMHSZBKCGLI-SQNIBIBYSA-N 1 0 338.451 4.406 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)CCCC1 ZINC001196150464 1053591037 /nfs/dbraw/zinc/59/10/37/1053591037.db2.gz WZYCZGNOBZDQFR-UHFFFAOYSA-N 1 0 327.255 4.410 20 30 EIEDRO CCCCCCCC[C@H](C)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000852875717 1053617488 /nfs/dbraw/zinc/61/74/88/1053617488.db2.gz OAZYGNIHBVEAGQ-INIZCTEOSA-N 1 0 334.508 4.133 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000110966054 1053620602 /nfs/dbraw/zinc/62/06/02/1053620602.db2.gz OZBLBZDULVGAGE-UHFFFAOYSA-N 1 0 348.425 4.429 20 30 EIEDRO CCCCC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001196328594 1053640952 /nfs/dbraw/zinc/64/09/52/1053640952.db2.gz CTWHZCBRLJWAOG-IBGZPJMESA-N 1 0 327.472 4.322 20 30 EIEDRO N#Cc1ccc(-c2ccccc2)nc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168542963 1053667804 /nfs/dbraw/zinc/66/78/04/1053667804.db2.gz LEUQNGBXJPGQGV-GOSISDBHSA-N 1 0 340.430 4.204 20 30 EIEDRO Fc1ccc(CON=CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000853333236 1053668446 /nfs/dbraw/zinc/66/84/46/1053668446.db2.gz FSINHXIVJBTBEV-UHFFFAOYSA-N 1 0 326.415 4.240 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)c(F)c1 ZINC000775723225 1053690085 /nfs/dbraw/zinc/69/00/85/1053690085.db2.gz HXXSQWLPIAZLNW-IBGZPJMESA-N 1 0 328.362 4.274 20 30 EIEDRO C[C@H](CCCC(F)(F)F)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866448464 1053732604 /nfs/dbraw/zinc/73/26/04/1053732604.db2.gz GIMPACGROOAKOE-CQSZACIVSA-N 1 0 339.405 4.238 20 30 EIEDRO C=C(Cl)C[N@@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000776721635 1053785510 /nfs/dbraw/zinc/78/55/10/1053785510.db2.gz CNACXIMXWIFJSA-KRWDZBQOSA-N 1 0 333.859 4.042 20 30 EIEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866617100 1053807099 /nfs/dbraw/zinc/80/70/99/1053807099.db2.gz DYJOJYRCXHCOPW-SJCJKPOMSA-N 1 0 325.481 4.265 20 30 EIEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866615056 1053807169 /nfs/dbraw/zinc/80/71/69/1053807169.db2.gz AYMPYDAIAYNTTD-AOMKIAJQSA-N 1 0 341.458 4.185 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)ccc1SC ZINC000866618277 1053807599 /nfs/dbraw/zinc/80/75/99/1053807599.db2.gz YCWYJSYQNHNROQ-SCLBCKFNSA-N 1 0 338.476 4.107 20 30 EIEDRO C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000776734719 1053809891 /nfs/dbraw/zinc/80/98/91/1053809891.db2.gz LRPQAZNEMLIBDD-MRXNPFEDSA-N 1 0 343.490 4.393 20 30 EIEDRO C#CCC1(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)CCCCC1 ZINC000854677699 1053836419 /nfs/dbraw/zinc/83/64/19/1053836419.db2.gz NHVRRXAWCNZVGT-UHFFFAOYSA-N 1 0 344.543 4.073 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001197272452 1053866025 /nfs/dbraw/zinc/86/60/25/1053866025.db2.gz AGWFUIARNQUXLX-IFMALSPDSA-N 1 0 344.543 4.322 20 30 EIEDRO N#CCCOCC[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000339080226 1053893786 /nfs/dbraw/zinc/89/37/86/1053893786.db2.gz FWGZWTVREBWNPH-UHFFFAOYSA-N 1 0 325.239 4.013 20 30 EIEDRO C=CCCC[C@@H]([NH2+]CCn1cnc2ccccc2c1=O)c1ccccc1 ZINC001197368383 1053896459 /nfs/dbraw/zinc/89/64/59/1053896459.db2.gz HARHNVUHKQWYNZ-HXUWFJFHSA-N 1 0 347.462 4.084 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000466790555 1053929043 /nfs/dbraw/zinc/92/90/43/1053929043.db2.gz PGKFKZZQCSDIGO-QAPCUYQASA-N 1 0 334.891 4.195 20 30 EIEDRO COCC1([N@H+](C)CCC(C#N)(c2ccccc2)c2ccccc2)CCC1 ZINC001197582599 1053947782 /nfs/dbraw/zinc/94/77/82/1053947782.db2.gz UXSVSNGBWJWLMH-UHFFFAOYSA-N 1 0 348.490 4.387 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000113960771 1054034608 /nfs/dbraw/zinc/03/46/08/1054034608.db2.gz OPMRDVGBMYNLOJ-MRXNPFEDSA-N 1 0 346.377 4.259 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2-c2ccc(C)s2)CC1 ZINC000869833577 1054038611 /nfs/dbraw/zinc/03/86/11/1054038611.db2.gz SMCAEJUFOMZSPX-UHFFFAOYSA-N 1 0 338.476 4.007 20 30 EIEDRO C#CCC1([NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CCCCC1 ZINC001198083847 1054068143 /nfs/dbraw/zinc/06/81/43/1054068143.db2.gz DMKMZSNMMMBNPB-INIZCTEOSA-N 1 0 346.902 4.175 20 30 EIEDRO C#CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCCc2ccccc21 ZINC001198103613 1054078085 /nfs/dbraw/zinc/07/80/85/1054078085.db2.gz IXEUEBHYVIAIRX-JOCHJYFZSA-N 1 0 342.442 4.453 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(N(C)C)cc1 ZINC000775835569 1054114292 /nfs/dbraw/zinc/11/42/92/1054114292.db2.gz GJJBDLXNSBMOOH-AWEZNQCLSA-N 1 0 343.858 4.159 20 30 EIEDRO C=CCCC[N@@H+](CC)C[C@](C)(O)c1ccc(Br)cc1F ZINC001198457593 1054149807 /nfs/dbraw/zinc/14/98/07/1054149807.db2.gz DBWDONLPHFMWBJ-INIZCTEOSA-N 1 0 344.268 4.084 20 30 EIEDRO C#C[C@@H]1CCCC[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC001198524508 1054174584 /nfs/dbraw/zinc/17/45/84/1054174584.db2.gz FRGCQGMGULPYGK-OAHLLOKOSA-N 1 0 325.374 4.352 20 30 EIEDRO C=CCC[C@@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000871359403 1054204695 /nfs/dbraw/zinc/20/46/95/1054204695.db2.gz FWYLZTPLFPZXHC-OBXNSHGQSA-N 1 0 328.500 4.116 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@]23CCOC3)cc1 ZINC001198772050 1054261260 /nfs/dbraw/zinc/26/12/60/1054261260.db2.gz XXMFFDVQJNGXSH-QFIPXVFZSA-N 1 0 332.447 4.370 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000872045486 1054358472 /nfs/dbraw/zinc/35/84/72/1054358472.db2.gz MRRPMUBOGIPSMF-ZHALLVOQSA-N 1 0 330.472 4.051 20 30 EIEDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000872069774 1054377207 /nfs/dbraw/zinc/37/72/07/1054377207.db2.gz VCMUWBDTNBPASU-HSBZDZAISA-N 1 0 333.457 4.297 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000872125332 1054404512 /nfs/dbraw/zinc/40/45/12/1054404512.db2.gz ZALAGEJASFNWTQ-CZUORRHYSA-N 1 0 347.434 4.345 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000872140507 1054412164 /nfs/dbraw/zinc/41/21/64/1054412164.db2.gz POZMHOHSSMSPKO-KZNAEPCWSA-N 1 0 326.484 4.309 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)CCSC)cc1OC ZINC000858142214 1054422454 /nfs/dbraw/zinc/42/24/54/1054422454.db2.gz WGLSWGWAIJKBDM-GFCCVEGCSA-N 1 0 329.893 4.145 20 30 EIEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)c(Br)cc1F ZINC000858163508 1054429398 /nfs/dbraw/zinc/42/93/98/1054429398.db2.gz FJKBQQUORUEUOB-UHFFFAOYSA-N 1 0 327.241 4.316 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1 ZINC000858236957 1054443262 /nfs/dbraw/zinc/44/32/62/1054443262.db2.gz FBMDCRWNZNPHFK-NRFANRHFSA-N 1 0 334.467 4.062 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)cc1C#N ZINC000858258626 1054449137 /nfs/dbraw/zinc/44/91/37/1054449137.db2.gz MJFGOMMSZLWWNO-WGSAOQKQSA-N 1 0 330.472 4.030 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2Sc2ccc(F)cc2)nc1 ZINC000858408304 1054483526 /nfs/dbraw/zinc/48/35/26/1054483526.db2.gz RROURWLHSNXUPJ-OALUTQOASA-N 1 0 341.455 4.285 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cccc(OCC)c2)cc(OC)c1OC ZINC000105478084 1054524377 /nfs/dbraw/zinc/52/43/77/1054524377.db2.gz TWCHYROUOXYJFR-UHFFFAOYSA-N 1 0 341.451 4.121 20 30 EIEDRO C#Cc1cccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000116481050 1054607542 /nfs/dbraw/zinc/60/75/42/1054607542.db2.gz QRDRSKGTZDTOBD-QGZVFWFLSA-N 1 0 347.462 4.015 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000859162277 1054634120 /nfs/dbraw/zinc/63/41/20/1054634120.db2.gz XRKABBMBGYMLEX-ROUUACIJSA-N 1 0 326.465 4.016 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000859162276 1054635090 /nfs/dbraw/zinc/63/50/90/1054635090.db2.gz XRKABBMBGYMLEX-QZTJIDSGSA-N 1 0 326.465 4.016 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3=O)cc2)cc1C#N ZINC000859309388 1054660878 /nfs/dbraw/zinc/66/08/78/1054660878.db2.gz NEXZCGYKXSDNFB-QGZVFWFLSA-N 1 0 347.462 4.234 20 30 EIEDRO CCC(CC)[C@@H](CN[C@@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCC1 ZINC000776153943 1054748034 /nfs/dbraw/zinc/74/80/34/1054748034.db2.gz KZEQQKJCPLFHPM-LAUBAEHRSA-N 1 0 343.515 4.140 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(OCC#N)cc1 ZINC000776160606 1054761431 /nfs/dbraw/zinc/76/14/31/1054761431.db2.gz PERWBBBPNOCIKD-INIZCTEOSA-N 1 0 331.419 4.030 20 30 EIEDRO COc1ccc([C@H]2C[C@@H]([NH2+][C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC001168585609 1054765777 /nfs/dbraw/zinc/76/57/77/1054765777.db2.gz ICCAPXODRDRRLV-PAXLWEDBSA-N 1 0 336.435 4.138 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2ccc(N3CCCCC3)c(C#N)c2)c1 ZINC001201399400 1054775391 /nfs/dbraw/zinc/77/53/91/1054775391.db2.gz GAXHGDZPTNYBKK-UHFFFAOYSA-N 1 0 334.467 4.354 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000776168010 1054800763 /nfs/dbraw/zinc/80/07/63/1054800763.db2.gz IWJZWDLWNDPVQI-SJORKVTESA-N 1 0 327.472 4.335 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000776171533 1054802045 /nfs/dbraw/zinc/80/20/45/1054802045.db2.gz UJGIQDWCHWRSLT-CMBDLQSPSA-N 1 0 336.435 4.193 20 30 EIEDRO COc1cccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1C#N ZINC001201477883 1054830576 /nfs/dbraw/zinc/83/05/76/1054830576.db2.gz OMULQACTHZUHNR-MOPGFXCFSA-N 1 0 345.446 4.300 20 30 EIEDRO CNc1ccc(C#N)cc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201478168 1054830773 /nfs/dbraw/zinc/83/07/73/1054830773.db2.gz ZDPQDCKLAYXKSK-UXHICEINSA-N 1 0 344.462 4.333 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCCS2)cc1OC ZINC001201627505 1054869402 /nfs/dbraw/zinc/86/94/02/1054869402.db2.gz YVOIBNMFVXTTCM-CQSZACIVSA-N 1 0 341.904 4.289 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001201762805 1054899884 /nfs/dbraw/zinc/89/98/84/1054899884.db2.gz WBRYBHUOJYDYEF-OAQYLSRUSA-N 1 0 346.490 4.221 20 30 EIEDRO CCCCCCC[N@@H+]1CCN(Cc2ccncc2)c2ncccc2C1 ZINC001201776303 1054914409 /nfs/dbraw/zinc/91/44/09/1054914409.db2.gz ATEPSSCIAJSGEG-UHFFFAOYSA-N 1 0 338.499 4.269 20 30 EIEDRO CCCCCCCCN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201815194 1054915560 /nfs/dbraw/zinc/91/55/60/1054915560.db2.gz YRTYGQSEQJHWFY-SFHVURJKSA-N 1 0 334.552 4.460 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001201777480 1054917327 /nfs/dbraw/zinc/91/73/27/1054917327.db2.gz XVHDBZWVYCPUGG-IBGZPJMESA-N 1 0 334.548 4.365 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC1)C(=O)N(C)[C@H]2c1ccccc1 ZINC001201776863 1054918185 /nfs/dbraw/zinc/91/81/85/1054918185.db2.gz OIRINSQWYARASK-IBGZPJMESA-N 1 0 328.500 4.252 20 30 EIEDRO CCCCCCC[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2C)CC1 ZINC001201777466 1054918661 /nfs/dbraw/zinc/91/86/61/1054918661.db2.gz XOKFUAXLHGAJKQ-FQEVSTJZSA-N 1 0 342.527 4.437 20 30 EIEDRO CCCCCCCCC[NH+]1CCC2(CC1)OC(=O)c1ncccc12 ZINC001201852801 1054922782 /nfs/dbraw/zinc/92/27/82/1054922782.db2.gz MIKHSSIHOADVAD-UHFFFAOYSA-N 1 0 330.472 4.294 20 30 EIEDRO CCCCCCCCCC[N@@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001201852870 1054923915 /nfs/dbraw/zinc/92/39/15/1054923915.db2.gz PNRASTFPMMCHRZ-UHFFFAOYSA-N 1 0 344.503 4.418 20 30 EIEDRO CCCCCCCC[N@@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC001201826294 1054924818 /nfs/dbraw/zinc/92/48/18/1054924818.db2.gz QZERQJHMTFLZIP-UHFFFAOYSA-N 1 0 328.504 4.299 20 30 EIEDRO C[C@@H]([NH3+])c1ccc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)cc1 ZINC000876538939 1054927223 /nfs/dbraw/zinc/92/72/23/1054927223.db2.gz ZDTSMSUNKYBBAR-OAHLLOKOSA-N 1 0 333.435 4.028 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001201838679 1054931241 /nfs/dbraw/zinc/93/12/41/1054931241.db2.gz CFDOYSGWPGZVJK-RTWAWAEBSA-N 1 0 329.532 4.481 20 30 EIEDRO CCCCCCCCC[N@@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001201847060 1054934007 /nfs/dbraw/zinc/93/40/07/1054934007.db2.gz RDEVBAMJFJFLIK-RBBKRZOGSA-N 1 0 342.527 4.343 20 30 EIEDRO CCCCCCCCC[N@@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001201845937 1054934596 /nfs/dbraw/zinc/93/45/96/1054934596.db2.gz AJCGBZJYXOEVPD-UHFFFAOYSA-N 1 0 330.476 4.028 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC001201846859 1054934660 /nfs/dbraw/zinc/93/46/60/1054934660.db2.gz OATWDRXHLZXRHH-MSOLQXFVSA-N 1 0 349.544 4.183 20 30 EIEDRO C#CCCCCCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000876591795 1054936080 /nfs/dbraw/zinc/93/60/80/1054936080.db2.gz PJQHOBHOXCPGKI-UHFFFAOYSA-N 1 0 325.456 4.130 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2cccc(OCC)c2OCCC)CC1 ZINC000106246233 1054939344 /nfs/dbraw/zinc/93/93/44/1054939344.db2.gz KEBBGRSSSKMCCU-UHFFFAOYSA-N 1 0 346.515 4.004 20 30 EIEDRO CCCCCCCCCC[NH+]1CCC(OCC(=O)NCCC)CC1 ZINC001201874717 1054941450 /nfs/dbraw/zinc/94/14/50/1054941450.db2.gz DGMIVRXXWVSLMS-UHFFFAOYSA-N 1 0 340.552 4.134 20 30 EIEDRO CC[N@@H+](c1ccc(NCc2cc(C#N)cnc2Cl)cc1)C(C)C ZINC000876820559 1054964692 /nfs/dbraw/zinc/96/46/92/1054964692.db2.gz PFLXJEWBHHQADD-UHFFFAOYSA-N 1 0 328.847 4.453 20 30 EIEDRO N#CCCOCC[N@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000339032175 1055005039 /nfs/dbraw/zinc/00/50/39/1055005039.db2.gz CSBWOWGAWMWDMB-MRXNPFEDSA-N 1 0 326.362 4.163 20 30 EIEDRO CC1(C)[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@@H]1OCc1ccccc1 ZINC001202092009 1055026663 /nfs/dbraw/zinc/02/66/63/1055026663.db2.gz BAMQHJVXXONSCN-LSNYBQGISA-N 1 0 326.484 4.432 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)ccc1C#N ZINC001202093160 1055029419 /nfs/dbraw/zinc/02/94/19/1055029419.db2.gz RXFWLBSDRJMZEE-NHCUHLMSSA-N 1 0 334.463 4.340 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)[C@@H]1CCCO1 ZINC001202073479 1055036274 /nfs/dbraw/zinc/03/62/74/1055036274.db2.gz BPCHDSQINYQSDP-UXHICEINSA-N 1 0 343.373 4.028 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cnn(-c2ccccc2)c1 ZINC000777250849 1055053547 /nfs/dbraw/zinc/05/35/47/1055053547.db2.gz SXCZVUJUJYKPDX-INIZCTEOSA-N 1 0 328.419 4.084 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380363 1055058963 /nfs/dbraw/zinc/05/89/63/1055058963.db2.gz UYNWFQMTLQWPRI-GARJFASQSA-N 1 0 331.769 4.487 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000877491504 1055064222 /nfs/dbraw/zinc/06/42/22/1055064222.db2.gz KWXWSZLSIRUCOU-PBHICJAKSA-N 1 0 329.806 4.172 20 30 EIEDRO C[C@@H](CCC#N)C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000877522690 1055070000 /nfs/dbraw/zinc/07/00/00/1055070000.db2.gz SGYCJZYVOKWQJV-KRWDZBQOSA-N 1 0 325.456 4.288 20 30 EIEDRO N#CC1CCC([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000877526384 1055071349 /nfs/dbraw/zinc/07/13/49/1055071349.db2.gz BHEBAOARYMSQFS-IJGSQOGDSA-N 1 0 327.255 4.089 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)CC[P@](C)(=O)OCC)c1ccc(Cl)cc1 ZINC000877542407 1055075159 /nfs/dbraw/zinc/07/51/59/1055075159.db2.gz YGVVIBZCKRQICS-UYTHQXMGSA-N 1 0 327.792 4.327 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)CC[P@@](C)(=O)OCC)c1ccc(Cl)cc1 ZINC000877542406 1055076836 /nfs/dbraw/zinc/07/68/36/1055076836.db2.gz YGVVIBZCKRQICS-QTPGKHNVSA-N 1 0 327.792 4.327 20 30 EIEDRO C=C[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccccc1 ZINC001137123690 1055089262 /nfs/dbraw/zinc/08/92/62/1055089262.db2.gz TVRGRHYHGUSHLD-OALUTQOASA-N 1 0 342.870 4.029 20 30 EIEDRO COc1ccc([C@@H]2C[C@@H]([NH2+]C3(c4ccc(C#N)cc4)CC3)CCO2)cc1 ZINC001168599494 1055099103 /nfs/dbraw/zinc/09/91/03/1055099103.db2.gz HCJFUARTSSNWHX-FPOVZHCZSA-N 1 0 348.446 4.066 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cn(C(F)F)c2ccccc12 ZINC000877657313 1055101624 /nfs/dbraw/zinc/10/16/24/1055101624.db2.gz IQEWFHCLLFJBRF-AWEZNQCLSA-N 1 0 347.409 4.225 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001202259317 1055102158 /nfs/dbraw/zinc/10/21/58/1055102158.db2.gz PWBFQMLBWXVELW-XLIONFOSSA-N 1 0 337.442 4.189 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ccccc2O)ccc1OC ZINC000877757025 1055114656 /nfs/dbraw/zinc/11/46/56/1055114656.db2.gz AAIFKRYSISCFLL-HNNXBMFYSA-N 1 0 327.424 4.207 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000877755895 1055115047 /nfs/dbraw/zinc/11/50/47/1055115047.db2.gz RVJPBFNCCVUDHQ-CYBMUJFWSA-N 1 0 347.842 4.470 20 30 EIEDRO Cc1csc([C@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000877813905 1055125259 /nfs/dbraw/zinc/12/52/59/1055125259.db2.gz LRGPHPNPWOXHKE-INIZCTEOSA-N 1 0 325.481 4.242 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000877892784 1055146525 /nfs/dbraw/zinc/14/65/25/1055146525.db2.gz DUVQHMBRZRWGGZ-HRAATJIYSA-N 1 0 338.426 4.259 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H](C)c1cccs1)c1ccccc1 ZINC000877970596 1055165386 /nfs/dbraw/zinc/16/53/86/1055165386.db2.gz PAVUSDYOTKTGCF-DNVCBOLYSA-N 1 0 326.465 4.182 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@]2(CC=CCC2)C1)c1ccccc1 ZINC000878106009 1055189667 /nfs/dbraw/zinc/18/96/67/1055189667.db2.gz JUCPCFWDSAOUFF-FGZHOGPDSA-N 1 0 336.479 4.249 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C)c1ccccc1 ZINC000878109169 1055190129 /nfs/dbraw/zinc/19/01/29/1055190129.db2.gz NEHYTLHSNXOXOQ-JMUQELJHSA-N 1 0 346.474 4.305 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000878120787 1055191936 /nfs/dbraw/zinc/19/19/36/1055191936.db2.gz PGLSVHYKFCWZOH-WMZHIEFXSA-N 1 0 348.490 4.299 20 30 EIEDRO CC[C@H](Cc1ccccc1)[N@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878132359 1055192179 /nfs/dbraw/zinc/19/21/79/1055192179.db2.gz SODUMZNHWAJONE-PKTZIBPZSA-N 1 0 348.490 4.380 20 30 EIEDRO COc1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCc4c3cccc4C#N)CCO2)cc1 ZINC001168606362 1055223753 /nfs/dbraw/zinc/22/37/53/1055223753.db2.gz GBAJNCBIZVNEEE-WTOYTKOKSA-N 1 0 348.446 4.064 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2csc(C(C)(C)C)n2)cc1 ZINC000765793421 1055313302 /nfs/dbraw/zinc/31/33/02/1055313302.db2.gz XEBASHTZPKMQCH-UHFFFAOYSA-N 1 0 342.508 4.175 20 30 EIEDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127143846 1055321881 /nfs/dbraw/zinc/32/18/81/1055321881.db2.gz NKKHJHPAMRYSSS-QGZVFWFLSA-N 1 0 335.234 4.030 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000186320299 1055350649 /nfs/dbraw/zinc/35/06/49/1055350649.db2.gz OYEZINKBWJMEBX-UHFFFAOYSA-N 1 0 341.252 4.408 20 30 EIEDRO COC(=O)c1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)ccc1C ZINC000878648182 1055366150 /nfs/dbraw/zinc/36/61/50/1055366150.db2.gz MTNDMMGMRYWUBO-FQEVSTJZSA-N 1 0 336.435 4.306 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cc1O ZINC000091068131 1055511683 /nfs/dbraw/zinc/51/16/83/1055511683.db2.gz ZLOWRTHLVPVSOK-UHFFFAOYSA-N 1 0 344.414 4.229 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C)nc1N1CCCC1)c1ccc(C#N)cc1 ZINC000618573761 1055780639 /nfs/dbraw/zinc/78/06/39/1055780639.db2.gz BNFGPOQRRXUUCO-FQEVSTJZSA-N 1 0 334.467 4.103 20 30 EIEDRO CC(C)(C)OC(=O)C1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000273501100 1055889973 /nfs/dbraw/zinc/88/99/73/1055889973.db2.gz QFDDDTRBRBLUGX-UHFFFAOYSA-N 1 0 340.467 4.037 20 30 EIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2cccc(F)c2C#N)CC1 ZINC000301174467 1055903829 /nfs/dbraw/zinc/90/38/29/1055903829.db2.gz YPZWXLIJXQBTEN-UHFFFAOYSA-N 1 0 337.442 4.046 20 30 EIEDRO CC(C)(C)[NH+]1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301333717 1055922980 /nfs/dbraw/zinc/92/29/80/1055922980.db2.gz MOALZZONWZGUOA-UHFFFAOYSA-N 1 0 325.378 4.252 20 30 EIEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000301492369 1055942935 /nfs/dbraw/zinc/94/29/35/1055942935.db2.gz IAEOJLMTFXJPEX-OLZOCXBDSA-N 1 0 343.298 4.457 20 30 EIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000554068118 1055996779 /nfs/dbraw/zinc/99/67/79/1055996779.db2.gz XQYMLQKPKGWCTP-STQMWFEESA-N 1 0 333.357 4.254 20 30 EIEDRO N#Cc1c(Cl)nsc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000301954662 1056001207 /nfs/dbraw/zinc/00/12/07/1056001207.db2.gz KOPBEDVQGRXDOE-UHFFFAOYSA-N 1 0 332.860 4.050 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 ZINC000302041450 1056011620 /nfs/dbraw/zinc/01/16/20/1056011620.db2.gz LOKBSJAGQZBDRD-IEBWSBKVSA-N 1 0 348.494 4.197 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000302135768 1056022330 /nfs/dbraw/zinc/02/23/30/1056022330.db2.gz ZYYSKDHKJXYLRW-IIBYNOLFSA-N 1 0 347.462 4.083 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1c(C#N)cccc1C#N ZINC000302828355 1056078046 /nfs/dbraw/zinc/07/80/46/1056078046.db2.gz IQIVZJNPYNAKCC-QGZVFWFLSA-N 1 0 344.462 4.416 20 30 EIEDRO C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000302976770 1056096199 /nfs/dbraw/zinc/09/61/99/1056096199.db2.gz CGWLRLLHIUTIAF-QGZVFWFLSA-N 1 0 348.494 4.134 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000765907024 1056153953 /nfs/dbraw/zinc/15/39/53/1056153953.db2.gz HYFCMFOVBOZQAN-KRWDZBQOSA-N 1 0 333.435 4.288 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2ccc(C)nc2)cc1 ZINC000765909043 1056171379 /nfs/dbraw/zinc/17/13/79/1056171379.db2.gz RYRCHEBSHFDKPO-MRXNPFEDSA-N 1 0 330.859 4.415 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2C(C)C)c1C ZINC000303690624 1056240759 /nfs/dbraw/zinc/24/07/59/1056240759.db2.gz PODFUJHKQSIULD-LJQANCHMSA-N 1 0 341.499 4.061 20 30 EIEDRO C=CC[N@H+](CCc1nc(-c2ccccc2)no1)CC1CCCCC1 ZINC000303937786 1056359787 /nfs/dbraw/zinc/35/97/87/1056359787.db2.gz YBVFKEVOOVNPFH-UHFFFAOYSA-N 1 0 325.456 4.347 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1ccc(C#N)cc1 ZINC000554839601 1056373316 /nfs/dbraw/zinc/37/33/16/1056373316.db2.gz KBFRNWJVIHAXLC-OAHLLOKOSA-N 1 0 335.451 4.145 20 30 EIEDRO Cc1nc(C[NH+]2CCC(CC#N)CC2)oc1-c1ccc(Cl)cc1 ZINC000542880343 1056497310 /nfs/dbraw/zinc/49/73/10/1056497310.db2.gz BVIXXLIVNQQISQ-UHFFFAOYSA-N 1 0 329.831 4.429 20 30 EIEDRO Cc1nc(-c2ccc(CC[NH2+]Cc3ccc(C#N)cc3)s2)cs1 ZINC000073102469 1056532379 /nfs/dbraw/zinc/53/23/79/1056532379.db2.gz JNELJHDNELQPKT-UHFFFAOYSA-N 1 0 339.489 4.384 20 30 EIEDRO CC[C@@H](C)[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000060993299 1056556033 /nfs/dbraw/zinc/55/60/33/1056556033.db2.gz DOJYDLCEFKSNSG-OAHLLOKOSA-N 1 0 341.480 4.249 20 30 EIEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000921807367 1056610446 /nfs/dbraw/zinc/61/04/46/1056610446.db2.gz PDOXHCMCXUFXKF-PSLIRLAXSA-N 1 0 341.263 4.138 20 30 EIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)[C@H](O)c1c(Cl)cccc1Cl ZINC000921807369 1056611860 /nfs/dbraw/zinc/61/18/60/1056611860.db2.gz PDOXHCMCXUFXKF-VFZGTOFNSA-N 1 0 341.263 4.138 20 30 EIEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCCC[C@H]1O ZINC001168677530 1056673984 /nfs/dbraw/zinc/67/39/84/1056673984.db2.gz OTAFPBHHVOJECI-RBBKRZOGSA-N 1 0 334.463 4.208 20 30 EIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000921837849 1056684943 /nfs/dbraw/zinc/68/49/43/1056684943.db2.gz CYRZPIGBVVWUGF-LBPRGKRZSA-N 1 0 330.428 4.398 20 30 EIEDRO N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000110788921 1056697493 /nfs/dbraw/zinc/69/74/93/1056697493.db2.gz WDUCUYVHDFXNEZ-UHFFFAOYSA-N 1 0 343.833 4.063 20 30 EIEDRO C[NH+](C)[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000111105039 1056746004 /nfs/dbraw/zinc/74/60/04/1056746004.db2.gz ZTCWWEVHDVWGBZ-KRWDZBQOSA-N 1 0 347.384 4.162 20 30 EIEDRO N#Cc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1C(F)(F)F ZINC000111104196 1056746294 /nfs/dbraw/zinc/74/62/94/1056746294.db2.gz NCHMDYPBLKIIKY-INIZCTEOSA-N 1 0 349.356 4.419 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)cc1C#N ZINC000742370120 1058571767 /nfs/dbraw/zinc/57/17/67/1058571767.db2.gz GNHOAKAAJOLBIK-UHFFFAOYSA-N 1 0 336.435 4.178 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cc(C)c(C)cc1OC(F)F ZINC000742371408 1058598039 /nfs/dbraw/zinc/59/80/39/1058598039.db2.gz VRBKTSJSYBOEQQ-UHFFFAOYSA-N 1 0 345.389 4.207 20 30 EIEDRO CO[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(Cl)cc1 ZINC000742378014 1058601751 /nfs/dbraw/zinc/60/17/51/1058601751.db2.gz TTYPYEXZHXLUIS-IFXJQAMLSA-N 1 0 344.842 4.108 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](CC)[C@@H](O)c2c(F)cccc2F)c1 ZINC000742714687 1058754603 /nfs/dbraw/zinc/75/46/03/1058754603.db2.gz PKNISVAGZDFQEC-UYAOXDASSA-N 1 0 347.405 4.131 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Br)cc1F)c1ccc(C#N)cc1 ZINC000743473466 1059020790 /nfs/dbraw/zinc/02/07/90/1059020790.db2.gz ASYKFBUEJFOKJE-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO CCOc1cccc(/C=N\C2CC[NH+](CC3CCCCC3)CC2)c1O ZINC000743538203 1059046459 /nfs/dbraw/zinc/04/64/59/1059046459.db2.gz JFHCVRJZRJWQDV-JCMHNJIXSA-N 1 0 344.499 4.255 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000744449807 1059525568 /nfs/dbraw/zinc/52/55/68/1059525568.db2.gz PLQODCBQKGYAEQ-UHFFFAOYSA-N 1 0 325.374 4.157 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000746046862 1059978555 /nfs/dbraw/zinc/97/85/55/1059978555.db2.gz FCZGOVFFOXHYCW-KSSFIOAISA-N 1 0 339.395 4.127 20 30 EIEDRO CCCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000746312478 1060108093 /nfs/dbraw/zinc/10/80/93/1060108093.db2.gz VHMGSMSIMMMQJU-ZWKOTPCHSA-N 1 0 325.541 4.109 20 30 EIEDRO CCCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000746312475 1060108785 /nfs/dbraw/zinc/10/87/85/1060108785.db2.gz VHMGSMSIMMMQJU-MSOLQXFVSA-N 1 0 325.541 4.109 20 30 EIEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1cccnc1)c1ccc(Br)cc1 ZINC001205991009 1060271843 /nfs/dbraw/zinc/27/18/43/1060271843.db2.gz ZWDPAVJUVMNINQ-KBXCAEBGSA-N 1 0 343.268 4.129 20 30 EIEDRO CCCCCCC[C@@H](C)CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000746413825 1060302348 /nfs/dbraw/zinc/30/23/48/1060302348.db2.gz KFCKSLXXHLDSJG-RTBURBONSA-N 1 0 337.552 4.110 20 30 EIEDRO CC(C)(C)C1=CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001168933685 1060525735 /nfs/dbraw/zinc/52/57/35/1060525735.db2.gz PXMHEMXWSNMWQJ-UHFFFAOYSA-N 1 0 345.874 4.218 20 30 EIEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001168967795 1060561982 /nfs/dbraw/zinc/56/19/82/1060561982.db2.gz BFEJDOXRSZINKE-FQEVSTJZSA-N 1 0 335.407 4.064 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)cc1 ZINC000766567652 1060588590 /nfs/dbraw/zinc/58/85/90/1060588590.db2.gz KMPLGJBLOLYKOJ-OAHLLOKOSA-N 1 0 345.389 4.459 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCc2cncc(OC)c2)cc1 ZINC001169269827 1060755258 /nfs/dbraw/zinc/75/52/58/1060755258.db2.gz HNFKZNRSDUKANS-NRFANRHFSA-N 1 0 337.467 4.068 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)c2ccc(F)cc2)cc1 ZINC000103173428 1060774717 /nfs/dbraw/zinc/77/47/17/1060774717.db2.gz LUHQMAIJERQOGR-UHFFFAOYSA-N 1 0 325.431 4.200 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCc3ccccc3[C@H]2O)cc1 ZINC001169629347 1060877039 /nfs/dbraw/zinc/87/70/39/1060877039.db2.gz TXQLTQOEZCTENV-YTFSRNRJSA-N 1 0 348.490 4.470 20 30 EIEDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000103346937 1060899787 /nfs/dbraw/zinc/89/97/87/1060899787.db2.gz TXQHADLNFRIPPT-OAHLLOKOSA-N 1 0 326.465 4.085 20 30 EIEDRO C[C@@H](CC#N)[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000103460841 1061032043 /nfs/dbraw/zinc/03/20/43/1061032043.db2.gz LZZCFFGRXMPBCS-NSHDSACASA-N 1 0 333.229 4.042 20 30 EIEDRO C#CCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000766895536 1061055701 /nfs/dbraw/zinc/05/57/01/1061055701.db2.gz QCGMCASYCSDALO-FQEVSTJZSA-N 1 0 341.476 4.126 20 30 EIEDRO C#CCCC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000766905361 1061062235 /nfs/dbraw/zinc/06/22/35/1061062235.db2.gz KVLKCLDINUOYIE-UHFFFAOYSA-N 1 0 326.267 4.388 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1Br ZINC000767372584 1061217108 /nfs/dbraw/zinc/21/71/08/1061217108.db2.gz DKYBXCJVNWFLQW-UHFFFAOYSA-N 1 0 333.204 4.058 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2CCC2)cc1 ZINC000532701527 1032075824 /nfs/dbraw/zinc/07/58/24/1032075824.db2.gz CZPXPCFYRQGWMW-NRFANRHFSA-N 1 0 333.435 4.018 20 30 EIEDRO CCOc1cccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c1OC(F)F ZINC000925254044 1032116383 /nfs/dbraw/zinc/11/63/83/1032116383.db2.gz MAGSYRFSBSQEMK-LBPRGKRZSA-N 1 0 326.387 4.105 20 30 EIEDRO C=C(Br)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000729682052 1032130363 /nfs/dbraw/zinc/13/03/63/1032130363.db2.gz SXIZLCRBRVTWPD-UHFFFAOYSA-N 1 0 342.240 4.024 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H]1COc2ccccc21 ZINC000169100221 1032188054 /nfs/dbraw/zinc/18/80/54/1032188054.db2.gz YECUDEYUOBTNQJ-UZLBHIALSA-N 1 0 336.435 4.023 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000237014628 1032215560 /nfs/dbraw/zinc/21/55/60/1032215560.db2.gz XTGJTTJGPURXBR-LJQANCHMSA-N 1 0 339.435 4.264 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000475701957 1032300031 /nfs/dbraw/zinc/30/00/31/1032300031.db2.gz NGBDSEQMIQDBFM-KBPBESRZSA-N 1 0 332.419 4.036 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(-c2ccccc2)n1 ZINC000245556944 1032311653 /nfs/dbraw/zinc/31/16/53/1032311653.db2.gz JLRCURYZBDVAFZ-FXAWDEMLSA-N 1 0 334.467 4.228 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1sccc1C#N)[C@H](CC)c1ccccc1 ZINC000532929703 1032393559 /nfs/dbraw/zinc/39/35/59/1032393559.db2.gz PIPHKDVPNPNWAW-QGZVFWFLSA-N 1 0 341.480 4.422 20 30 EIEDRO CCCC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1 ZINC000532922086 1032403395 /nfs/dbraw/zinc/40/33/95/1032403395.db2.gz KVUWBTYKBUZBPA-OAHLLOKOSA-N 1 0 345.512 4.141 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000529528041 1032416731 /nfs/dbraw/zinc/41/67/31/1032416731.db2.gz FPHQVRPBGWEXMN-UHFFFAOYSA-N 1 0 331.419 4.083 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000127444479 1032420519 /nfs/dbraw/zinc/42/05/19/1032420519.db2.gz KRIDJUKVHWWOPT-VXGBXAGGSA-N 1 0 345.805 4.029 20 30 EIEDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2sccc2C#N)c1 ZINC000532977180 1032423396 /nfs/dbraw/zinc/42/33/96/1032423396.db2.gz WHYNNTUSZPYWQI-OAHLLOKOSA-N 1 0 341.480 4.258 20 30 EIEDRO C=CCCC[N@@H+](C)CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000532980164 1032425893 /nfs/dbraw/zinc/42/58/93/1032425893.db2.gz IVEIFIASLQEKTL-UHFFFAOYSA-N 1 0 335.662 4.483 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000532987272 1032428514 /nfs/dbraw/zinc/42/85/14/1032428514.db2.gz LBWHBMGJIXTFLE-AWEZNQCLSA-N 1 0 344.455 4.287 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000532987191 1032429247 /nfs/dbraw/zinc/42/92/47/1032429247.db2.gz XOKVCZCGCRLJOS-INIZCTEOSA-N 1 0 337.442 4.013 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000533045517 1032456160 /nfs/dbraw/zinc/45/61/60/1032456160.db2.gz OWIOICYRCLXOSN-OAQYLSRUSA-N 1 0 336.435 4.077 20 30 EIEDRO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCC1 ZINC000533048481 1032457213 /nfs/dbraw/zinc/45/72/13/1032457213.db2.gz DFXOMPHFLUQNLT-UHFFFAOYSA-N 1 0 333.863 4.193 20 30 EIEDRO N#Cc1ccccc1C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000533062865 1032466740 /nfs/dbraw/zinc/46/67/40/1032466740.db2.gz CQDYVWVRFCPEOE-UHFFFAOYSA-N 1 0 326.827 4.007 20 30 EIEDRO COc1ccc(CC[N@H+](CCCC#N)Cc2ccsc2)cc1OC ZINC000178370782 1032536024 /nfs/dbraw/zinc/53/60/24/1032536024.db2.gz MUJPHIVUOPKDID-UHFFFAOYSA-N 1 0 344.480 4.114 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](CC)c2c(C)noc2C)ccc1OC ZINC000121205705 1032569238 /nfs/dbraw/zinc/56/92/38/1032569238.db2.gz FFMKSMOKMYPZHS-QGZVFWFLSA-N 1 0 344.455 4.496 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H](C)C(C)C ZINC000533256568 1032568253 /nfs/dbraw/zinc/56/82/53/1032568253.db2.gz SDRYIXQZKZJBOC-HZPDHXFCSA-N 1 0 347.528 4.243 20 30 EIEDRO CCC(CC)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CC1 ZINC000533267693 1032591334 /nfs/dbraw/zinc/59/13/34/1032591334.db2.gz YJCYZNNKGUWOJF-UHFFFAOYSA-N 1 0 345.512 4.090 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000557626220 1018833542 /nfs/dbraw/zinc/83/35/42/1018833542.db2.gz SARDDIOAPRQHCW-OAHLLOKOSA-N 1 0 346.906 4.088 20 30 EIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CC[C@H](C#N)C3)s2)cc1 ZINC000274613234 1018833955 /nfs/dbraw/zinc/83/39/55/1018833955.db2.gz KQGOBANRDIXGQW-DUVNUKRYSA-N 1 0 341.480 4.470 20 30 EIEDRO C[C@H](O)[C@](C)(C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000616364110 1018856529 /nfs/dbraw/zinc/85/65/29/1018856529.db2.gz PXISAVFNIMCSMK-RTFZILSDSA-N 1 0 348.490 4.155 20 30 EIEDRO C=CCC(CC=C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510074326 1019071266 /nfs/dbraw/zinc/07/12/66/1019071266.db2.gz UWWQJXVIGUSOER-QUCCMNQESA-N 1 0 340.511 4.172 20 30 EIEDRO CN(Cc1cccc(OC(F)(F)F)c1)Cc1cccc(C#N)c1F ZINC000512457284 1032819018 /nfs/dbraw/zinc/81/90/18/1032819018.db2.gz RRPZFSLXDFIGMM-UHFFFAOYSA-N 1 0 338.304 4.228 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1C ZINC000610216555 1019414976 /nfs/dbraw/zinc/41/49/76/1019414976.db2.gz PYPCIHGSYFYJLR-FUHWJXTLSA-N 1 0 341.499 4.061 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000126950143 1019522726 /nfs/dbraw/zinc/52/27/26/1019522726.db2.gz IEGMWYNWBCJTJO-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO CC(C)[NH+](CCCNCc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000578181362 1019561716 /nfs/dbraw/zinc/56/17/16/1019561716.db2.gz AWFSMGDIIFCVNF-UHFFFAOYSA-N 1 0 341.421 4.176 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000538393234 1019579840 /nfs/dbraw/zinc/57/98/40/1019579840.db2.gz KBNGLOZNCWGQNZ-CYBMUJFWSA-N 1 0 345.240 4.050 20 30 EIEDRO N#CCCn1cc(C[NH2+]CC23CCC(CC2)C3)c(-c2ccccc2)n1 ZINC000339791688 1019876147 /nfs/dbraw/zinc/87/61/47/1019876147.db2.gz FVQXXTZOHHDZTE-UHFFFAOYSA-N 1 0 334.467 4.134 20 30 EIEDRO Cc1cccc(CN2CCC([NH2+][C@@H](C)c3ccc(C#N)s3)CC2)c1 ZINC000134765229 1019968775 /nfs/dbraw/zinc/96/87/75/1019968775.db2.gz VMGSOIDYXKIVKX-INIZCTEOSA-N 1 0 339.508 4.243 20 30 EIEDRO Cc1cccc([C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180240276 1020083520 /nfs/dbraw/zinc/08/35/20/1020083520.db2.gz IQKDSNBCFRWZQX-KRWDZBQOSA-N 1 0 344.462 4.161 20 30 EIEDRO C=CC[NH+]1CCC(NC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180489074 1020119091 /nfs/dbraw/zinc/11/90/91/1020119091.db2.gz XKFUXLLYCRLXNK-UHFFFAOYSA-N 1 0 342.433 4.294 20 30 EIEDRO C=CCCCCCCCC[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001209443916 1020353745 /nfs/dbraw/zinc/35/37/45/1020353745.db2.gz IFOWFFXITKWPBX-KDURUIRLSA-N 1 0 344.499 4.200 20 30 EIEDRO C#CCOCC[N@H+](Cc1ccc(-c2ccc(F)cc2)s1)C(C)C ZINC001167157661 1020431282 /nfs/dbraw/zinc/43/12/82/1020431282.db2.gz MXOTYILFPBDOHR-UHFFFAOYSA-N 1 0 331.456 4.414 20 30 EIEDRO C#CC[N@@H+](CCSc1cccc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001167178530 1020485419 /nfs/dbraw/zinc/48/54/19/1020485419.db2.gz CUXWHCOQEWSBAA-OAQYLSRUSA-N 1 0 337.488 4.410 20 30 EIEDRO C#CC[N@@H+](CCSc1cccc(OC)c1)[C@H]1CCc2ccccc21 ZINC001167178529 1020485565 /nfs/dbraw/zinc/48/55/65/1020485565.db2.gz CUXWHCOQEWSBAA-NRFANRHFSA-N 1 0 337.488 4.410 20 30 EIEDRO C=CCSCC[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000510222059 1020488485 /nfs/dbraw/zinc/48/84/85/1020488485.db2.gz JZVIRMZJSMLYQY-LJQANCHMSA-N 1 0 340.492 4.184 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(-n2ccnc2)cc1C)[C@@H]1CCc2ccccc21 ZINC001167179332 1020489222 /nfs/dbraw/zinc/48/92/22/1020489222.db2.gz ZRPTTYGBJXSETK-HSZRJFAPSA-N 1 0 341.458 4.303 20 30 EIEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)s1 ZINC000261452000 1020566169 /nfs/dbraw/zinc/56/61/69/1020566169.db2.gz DWLHQGQLBKTSAG-QGZVFWFLSA-N 1 0 339.464 4.094 20 30 EIEDRO COCC[N@@H+](CC#Cc1ccc(Cl)cc1)CCCc1ccccc1 ZINC001167270328 1020743910 /nfs/dbraw/zinc/74/39/10/1020743910.db2.gz GXEDXYDRJPFIIW-UHFFFAOYSA-N 1 0 341.882 4.273 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167273618 1020751116 /nfs/dbraw/zinc/75/11/16/1020751116.db2.gz NBWQPYWAEJJEAI-UHFFFAOYSA-N 1 0 330.815 4.479 20 30 EIEDRO C=CC[C@H]1N(C(=O)c2ccc(C[NH+](CC)CC)o2)CCCC1(C)C ZINC000683457785 1020853787 /nfs/dbraw/zinc/85/37/87/1020853787.db2.gz LNMZXHLCXYLXAA-GOSISDBHSA-N 1 0 332.488 4.328 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2csc(-c3ccccc3)n2)s1 ZINC000176943039 1020938568 /nfs/dbraw/zinc/93/85/68/1020938568.db2.gz VYOPIBBHSLZMPN-UHFFFAOYSA-N 1 0 325.462 4.076 20 30 EIEDRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)s1 ZINC000134964326 1021048929 /nfs/dbraw/zinc/04/89/29/1021048929.db2.gz POBZZPASVJMKCV-HOTGVXAUSA-N 1 0 339.508 4.496 20 30 EIEDRO CC1(c2cccc(Br)c2)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000579978345 1021068355 /nfs/dbraw/zinc/06/83/55/1021068355.db2.gz WTFWFNUXCXAUCS-WMLDXEAASA-N 1 0 347.300 4.495 20 30 EIEDRO CC1(C)CCCC[C@@H]1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001167317968 1021070283 /nfs/dbraw/zinc/07/02/83/1021070283.db2.gz AIPPKTXRWZMOCC-LJQANCHMSA-N 1 0 325.500 4.287 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cccc(Br)c1 ZINC000165449950 1021079751 /nfs/dbraw/zinc/07/97/51/1021079751.db2.gz FTUKLRRZKMHTQW-UHFFFAOYSA-N 1 0 329.241 4.261 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(Br)cc1 ZINC000165449787 1021080142 /nfs/dbraw/zinc/08/01/42/1021080142.db2.gz MILOEASKPFHURC-UHFFFAOYSA-N 1 0 329.241 4.261 20 30 EIEDRO CC[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCO1 ZINC000472447940 1021199523 /nfs/dbraw/zinc/19/95/23/1021199523.db2.gz GCINMRKWDNKKQT-VXKWHMMOSA-N 1 0 348.490 4.434 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000447544045 1021231845 /nfs/dbraw/zinc/23/18/45/1021231845.db2.gz SZMXZNMPWOEUMJ-UXHICEINSA-N 1 0 325.431 4.041 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(OCC(F)(F)F)cc1 ZINC000177690539 1021452307 /nfs/dbraw/zinc/45/23/07/1021452307.db2.gz REYXFSDODFUIKN-NSHDSACASA-N 1 0 340.370 4.412 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)O1 ZINC000376167984 1021648190 /nfs/dbraw/zinc/64/81/90/1021648190.db2.gz SFWFRZVOEGSZRO-WCXIOVBPSA-N 1 0 338.373 4.035 20 30 EIEDRO COc1cc(C[NH2+]Cc2cccc(OC3CCCC3)c2)ccc1C#N ZINC000579897485 1021658150 /nfs/dbraw/zinc/65/81/50/1021658150.db2.gz DFFUDDDOVQAIKZ-UHFFFAOYSA-N 1 0 336.435 4.178 20 30 EIEDRO CC[C@H](C)[C@H](C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC001167355937 1021671390 /nfs/dbraw/zinc/67/13/90/1021671390.db2.gz FHFDBTCOBSLRMC-KBPBESRZSA-N 1 0 347.890 4.439 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)c(F)c1 ZINC000580249914 1021801756 /nfs/dbraw/zinc/80/17/56/1021801756.db2.gz RFNZRRUWLLDHNZ-INIZCTEOSA-N 1 0 336.332 4.208 20 30 EIEDRO CC(C)(C)c1csc(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)n1 ZINC000581973618 1021893022 /nfs/dbraw/zinc/89/30/22/1021893022.db2.gz WLTZUTAEHKQWCX-MRXNPFEDSA-N 1 0 325.481 4.132 20 30 EIEDRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380006 1021898008 /nfs/dbraw/zinc/89/80/08/1021898008.db2.gz HNZQKCGBANLOBU-PZJWPPBQSA-N 1 0 347.474 4.016 20 30 EIEDRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380012 1021908454 /nfs/dbraw/zinc/90/84/54/1021908454.db2.gz HNZQKCGBANLOBU-TZIWHRDSSA-N 1 0 347.474 4.016 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000178121100 1021980533 /nfs/dbraw/zinc/98/05/33/1021980533.db2.gz GGUJVZBTIBFKRT-BULFRSBZSA-N 1 0 335.447 4.270 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000414165380 1022007815 /nfs/dbraw/zinc/00/78/15/1022007815.db2.gz LSQMHMXRXZLAJU-CYBMUJFWSA-N 1 0 325.225 4.105 20 30 EIEDRO COc1ccc([C@@H]([NH2+]CC(C)(C)CC#N)c2ccc(F)cc2)cc1 ZINC000414164272 1022014744 /nfs/dbraw/zinc/01/47/44/1022014744.db2.gz KBWAYKSUMATNFU-IBGZPJMESA-N 1 0 326.415 4.453 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H](c1ccccc1)N(C)C ZINC000471582669 1022078404 /nfs/dbraw/zinc/07/84/04/1022078404.db2.gz PTESRMPDFHPDRM-MDOVXXIYSA-N 1 0 325.431 4.039 20 30 EIEDRO Cc1ccc([C@@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000271062607 1022103814 /nfs/dbraw/zinc/10/38/14/1022103814.db2.gz HPBJOIRGWBVGII-ORFBVSJDSA-N 1 0 334.463 4.022 20 30 EIEDRO CC(C)c1nnc([C@@H]2CC23CC[NH+](CCCC(C)(C)C#N)CC3)o1 ZINC000377933328 1022108686 /nfs/dbraw/zinc/10/86/86/1022108686.db2.gz UIJQVOHSOHSKTB-HNNXBMFYSA-N 1 0 330.476 4.092 20 30 EIEDRO N#CCOc1ccc(C[NH2+]C2CC(c3cccc(Cl)c3)C2)cc1 ZINC000376336855 1022200139 /nfs/dbraw/zinc/20/01/39/1022200139.db2.gz AHSTVVBKUFZRCV-UHFFFAOYSA-N 1 0 326.827 4.278 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000471610382 1022382600 /nfs/dbraw/zinc/38/26/00/1022382600.db2.gz GENPWAMPMULJCS-MAUKXSAKSA-N 1 0 340.417 4.400 20 30 EIEDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1F ZINC000181574057 1022392017 /nfs/dbraw/zinc/39/20/17/1022392017.db2.gz CEQQDVVEATWORO-CQSZACIVSA-N 1 0 334.398 4.042 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000236575357 1022396925 /nfs/dbraw/zinc/39/69/25/1022396925.db2.gz COZZOPUHGFHCBV-UHFFFAOYSA-N 1 0 337.463 4.304 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000472939228 1022471143 /nfs/dbraw/zinc/47/11/43/1022471143.db2.gz MLKKBRFJBMTMQK-IFMALSPDSA-N 1 0 337.463 4.122 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC001167438525 1022682930 /nfs/dbraw/zinc/68/29/30/1022682930.db2.gz OHDSBGQRXRUMFI-OAQYLSRUSA-N 1 0 340.442 4.197 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000180718396 1022805460 /nfs/dbraw/zinc/80/54/60/1022805460.db2.gz CUJRAYJVWGUTNF-AUUYWEPGSA-N 1 0 325.383 4.012 20 30 EIEDRO C[N@H+](CCCC#N)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000007797017 1022805520 /nfs/dbraw/zinc/80/55/20/1022805520.db2.gz HLKBOYDRYKQILX-UHFFFAOYSA-N 1 0 330.435 4.275 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180932365 1022862609 /nfs/dbraw/zinc/86/26/09/1022862609.db2.gz AKLYGUULNPJMAU-OPAMFIHVSA-N 1 0 343.430 4.004 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc(F)c(C#N)c4)C3)nc2c1 ZINC000181145480 1022889601 /nfs/dbraw/zinc/88/96/01/1022889601.db2.gz WHAZQBQKLHHEQY-MRXNPFEDSA-N 1 0 348.425 4.262 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)c1 ZINC000610488682 1022897132 /nfs/dbraw/zinc/89/71/32/1022897132.db2.gz IRKQWCRUKAEQIA-OAHLLOKOSA-N 1 0 333.254 4.159 20 30 EIEDRO CC(C)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000581266660 1022931200 /nfs/dbraw/zinc/93/12/00/1022931200.db2.gz CYUAVWMPOCNGAM-UHFFFAOYSA-N 1 0 336.483 4.332 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000067501707 1022963037 /nfs/dbraw/zinc/96/30/37/1022963037.db2.gz QMGDGADKEOUWAX-FQEVSTJZSA-N 1 0 339.870 4.467 20 30 EIEDRO N#C[C@H]1N(CC2CCC(C(F)(F)F)CC2)CCC[C@]12CCCCO2 ZINC000363925178 1022978392 /nfs/dbraw/zinc/97/83/92/1022978392.db2.gz JCYYCCAOXBLXPL-BHUNQDJPSA-N 1 0 344.421 4.282 20 30 EIEDRO Cn1cc(CC[NH2+]Cc2ccc(C#N)s2)c2ccc(Cl)cc21 ZINC000189528961 1023061168 /nfs/dbraw/zinc/06/11/68/1023061168.db2.gz LFHPBGRPOVEQNC-UHFFFAOYSA-N 1 0 329.856 4.097 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)c1cccc(C#N)c1 ZINC000189767739 1023144823 /nfs/dbraw/zinc/14/48/23/1023144823.db2.gz UFKFTQPWYUOBJM-QGZVFWFLSA-N 1 0 335.451 4.278 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417331590 1023269314 /nfs/dbraw/zinc/26/93/14/1023269314.db2.gz MLUYCCPBSRANQO-ZOJXTTQQSA-N 1 0 327.428 4.282 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1c(Br)cncc1Br ZINC000394540124 1023280409 /nfs/dbraw/zinc/28/04/09/1023280409.db2.gz VRUPDERDQLVMPS-SECBINFHSA-N 1 0 348.082 4.051 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1nc2ccccc2n1C ZINC000417362387 1023286962 /nfs/dbraw/zinc/28/69/62/1023286962.db2.gz JSQDKIMNWWOORX-KSSFIOAISA-N 1 0 330.435 4.173 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000417363422 1023289168 /nfs/dbraw/zinc/28/91/68/1023289168.db2.gz KLUVUZDLAMMVKO-NHCUHLMSSA-N 1 0 348.446 4.463 20 30 EIEDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417395197 1023301943 /nfs/dbraw/zinc/30/19/43/1023301943.db2.gz VYHTZQDOLYZGOJ-IIBYNOLFSA-N 1 0 347.462 4.251 20 30 EIEDRO C[C@@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccc(OCC#N)cc1 ZINC000376802529 1023313058 /nfs/dbraw/zinc/31/30/58/1023313058.db2.gz BHAMNDSQHISVSG-PXAZEXFGSA-N 1 0 328.799 4.027 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000549143082 1023375328 /nfs/dbraw/zinc/37/53/28/1023375328.db2.gz UHSRPAWUZHDVCH-QGZVFWFLSA-N 1 0 348.494 4.152 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341221248 1023398547 /nfs/dbraw/zinc/39/85/47/1023398547.db2.gz UIQQPBBFLOZUFA-XLIONFOSSA-N 1 0 335.451 4.063 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)cc1 ZINC000415021684 1023399228 /nfs/dbraw/zinc/39/92/28/1023399228.db2.gz HRKRFLMEIVEOME-IBGZPJMESA-N 1 0 338.451 4.226 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(Cl)c1OC ZINC000264361001 1023489721 /nfs/dbraw/zinc/48/97/21/1023489721.db2.gz AYQQEENYGWASRD-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(F)cc1 ZINC001167715886 1023499520 /nfs/dbraw/zinc/49/95/20/1023499520.db2.gz FTXPEBVNRJJYRO-IBGZPJMESA-N 1 0 326.415 4.453 20 30 EIEDRO N#CC1(CCCC[NH2+][C@H](CO)c2cccc(Cl)c2Cl)CCC1 ZINC000931058424 1023518934 /nfs/dbraw/zinc/51/89/34/1023518934.db2.gz DRHISQJSZQNZNO-OAHLLOKOSA-N 1 0 341.282 4.481 20 30 EIEDRO CCn1nc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000418145176 1023559632 /nfs/dbraw/zinc/55/96/32/1023559632.db2.gz MESRFWVXBHWBAY-IBGZPJMESA-N 1 0 330.435 4.095 20 30 EIEDRO COc1ccc2oc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cc2c1 ZINC000418148074 1023566106 /nfs/dbraw/zinc/56/61/06/1023566106.db2.gz SLPXRWFXPIYYNH-HXUWFJFHSA-N 1 0 332.403 4.480 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+][C@H]2CCSc3c(F)cccc32)O1 ZINC000364287734 1023580872 /nfs/dbraw/zinc/58/08/72/1023580872.db2.gz CBYYHXLLBDTVMD-FOJZWHKLSA-N 1 0 346.471 4.192 20 30 EIEDRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499601368 1023611158 /nfs/dbraw/zinc/61/11/58/1023611158.db2.gz XAMJZRZDHASHLN-HZPDHXFCSA-N 1 0 330.447 4.234 20 30 EIEDRO C=C(C)C[NH+]1CCC2(C[C@@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000377595708 1023621282 /nfs/dbraw/zinc/62/12/82/1023621282.db2.gz RCKMMQDNNIFCOB-MRXNPFEDSA-N 1 0 327.403 4.021 20 30 EIEDRO N#Cc1ccc(-c2cccc(CNCc3nccn3C3CC3)c2)s1 ZINC000892988313 1023635291 /nfs/dbraw/zinc/63/52/91/1023635291.db2.gz FDLUJBDMAOGXSO-UHFFFAOYSA-N 1 0 334.448 4.108 20 30 EIEDRO C=CCc1cc(C[NH2+]CCCSc2ccccc2)cc(OC)c1O ZINC000500276327 1023642159 /nfs/dbraw/zinc/64/21/59/1023642159.db2.gz IQPRFMVZPISASE-UHFFFAOYSA-N 1 0 343.492 4.401 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000285612206 1023650095 /nfs/dbraw/zinc/65/00/95/1023650095.db2.gz QDFBUTNYRDNVDQ-HNNXBMFYSA-N 1 0 329.271 4.336 20 30 EIEDRO CN1CC[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1c1ccc(Cl)cc1 ZINC000377667464 1023668510 /nfs/dbraw/zinc/66/85/10/1023668510.db2.gz KCDNAKBOQAJZOC-QZTJIDSGSA-N 1 0 333.907 4.395 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000220354311 1023679760 /nfs/dbraw/zinc/67/97/60/1023679760.db2.gz FBMDSDFCIYEMHI-UONOGXRCSA-N 1 0 342.405 4.169 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)Cc2ccccc2F)c1 ZINC000783253239 1023693555 /nfs/dbraw/zinc/69/35/55/1023693555.db2.gz ZUKGKYDSUISNJS-CRAIPNDOSA-N 1 0 326.415 4.227 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415589740 1023712494 /nfs/dbraw/zinc/71/24/94/1023712494.db2.gz ZHPOFPWSWPNILQ-HXUWFJFHSA-N 1 0 329.488 4.050 20 30 EIEDRO CCOC1CC(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000276562680 1023735379 /nfs/dbraw/zinc/73/53/79/1023735379.db2.gz GMGUJESZFOKOMS-UHFFFAOYSA-N 1 0 326.484 4.185 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)F)cc1 ZINC000728713162 1023763245 /nfs/dbraw/zinc/76/32/45/1023763245.db2.gz PSTLTZMZTAGFAS-ZIAGYGMSSA-N 1 0 346.377 4.430 20 30 EIEDRO Cc1c(C#N)cccc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000510494508 1023892047 /nfs/dbraw/zinc/89/20/47/1023892047.db2.gz DSSNRFWMASCOCJ-UHFFFAOYSA-N 1 0 333.435 4.105 20 30 EIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167492418 1023956076 /nfs/dbraw/zinc/95/60/76/1023956076.db2.gz SCPPITOWLHDZOG-NHCUHLMSSA-N 1 0 347.462 4.073 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000581973115 1023962448 /nfs/dbraw/zinc/96/24/48/1023962448.db2.gz YAOYOGDAMKNPHI-YVEFUNNKSA-N 1 0 343.298 4.130 20 30 EIEDRO N#Cc1cc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cs1 ZINC000891770413 1023966561 /nfs/dbraw/zinc/96/65/61/1023966561.db2.gz JJZNGGOTKZAFJL-AOOOYVTPSA-N 1 0 342.308 4.182 20 30 EIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000430744737 1024001314 /nfs/dbraw/zinc/00/13/14/1024001314.db2.gz VUNXXBVLRMUVHM-JTQLQIEISA-N 1 0 346.324 4.234 20 30 EIEDRO N#CCC1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000430744069 1024001980 /nfs/dbraw/zinc/00/19/80/1024001980.db2.gz TZVIMPMLWYCRDK-CQSZACIVSA-N 1 0 339.664 4.373 20 30 EIEDRO N#CCC1(CN[C@H](c2ccco2)c2ccc(Br)cc2)CC1 ZINC000430751033 1024007223 /nfs/dbraw/zinc/00/72/23/1024007223.db2.gz RQKPVBQYKKOELQ-INIZCTEOSA-N 1 0 345.240 4.415 20 30 EIEDRO C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000181787633 1024178163 /nfs/dbraw/zinc/17/81/63/1024178163.db2.gz YVIMSDNSJDGJPC-NNGSBXSVSA-N 1 0 343.471 4.045 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430913783 1024219902 /nfs/dbraw/zinc/21/99/02/1024219902.db2.gz YDAYJYLCWIPMEG-AVRDEDQJSA-N 1 0 334.463 4.343 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000661117523 1024248627 /nfs/dbraw/zinc/24/86/27/1024248627.db2.gz RMHYGTOWLQVYNI-DZGCQCFKSA-N 1 0 340.389 4.368 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1cccnc1 ZINC000066904917 1024388455 /nfs/dbraw/zinc/38/84/55/1024388455.db2.gz MXUFNEPOCMQACP-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341762373 1024628785 /nfs/dbraw/zinc/62/87/85/1024628785.db2.gz URVZTDNVYJNFIX-IFXJQAMLSA-N 1 0 334.419 4.058 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000341763497 1024635827 /nfs/dbraw/zinc/63/58/27/1024635827.db2.gz ZNQOTTXSFZWBDP-SFHVURJKSA-N 1 0 328.362 4.327 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000549576760 1024652041 /nfs/dbraw/zinc/65/20/41/1024652041.db2.gz YDUZKZNAKARGSO-QFIPXVFZSA-N 1 0 348.494 4.152 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432241022 1024719768 /nfs/dbraw/zinc/71/97/68/1024719768.db2.gz NJFHQTXXMMYSOW-UHFFFAOYSA-N 1 0 331.262 4.263 20 30 EIEDRO CC(C)[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCS1 ZINC001167496170 1024834312 /nfs/dbraw/zinc/83/43/12/1024834312.db2.gz KLHUOWPRDZUAPF-MRXNPFEDSA-N 1 0 343.414 4.010 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1C(F)(F)F ZINC000662088055 1024854083 /nfs/dbraw/zinc/85/40/83/1024854083.db2.gz UPLOGRBFVFRYGP-OKILXGFUSA-N 1 0 338.373 4.217 20 30 EIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000510962768 1024867705 /nfs/dbraw/zinc/86/77/05/1024867705.db2.gz SNJDXMOMYHWMCR-ZMZPIMSZSA-N 1 0 328.362 4.183 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000093872138 1024896393 /nfs/dbraw/zinc/89/63/93/1024896393.db2.gz HKPMGFFTYMDGQT-VXKWHMMOSA-N 1 0 342.446 4.144 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652598673 1024896427 /nfs/dbraw/zinc/89/64/27/1024896427.db2.gz LAHZWMSUHMLVLN-UWJYYQICSA-N 1 0 341.499 4.131 20 30 EIEDRO Cc1ccccc1[C@@H](C)[N@@H+](Cc1cnc2c(C#N)cnn2c1)CC(C)C ZINC000567899539 1024896597 /nfs/dbraw/zinc/89/65/97/1024896597.db2.gz CGSDGRXNWZKKNI-QGZVFWFLSA-N 1 0 347.466 4.129 20 30 EIEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccc(I)cc1 ZINC000610810325 1024994141 /nfs/dbraw/zinc/99/41/41/1024994141.db2.gz JLCDTLWFWZSQGV-CQSZACIVSA-N 1 0 342.224 4.026 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OC ZINC000060926683 1025004560 /nfs/dbraw/zinc/00/45/60/1025004560.db2.gz GICUDQHCARXSCB-UHFFFAOYSA-N 1 0 329.415 4.122 20 30 EIEDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]C1CCN(CC#N)CC1 ZINC000610812966 1025033058 /nfs/dbraw/zinc/03/30/58/1025033058.db2.gz QVDDNALOLIDGCP-GOSISDBHSA-N 1 0 349.906 4.013 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000610859167 1025072012 /nfs/dbraw/zinc/07/20/12/1025072012.db2.gz GIVLBTVBAWVFKE-BGYRXZFFSA-N 1 0 345.490 4.056 20 30 EIEDRO CCOc1ccc(CCC2CC[NH+](Cc3ccnc(C#N)c3)CC2)cc1 ZINC000610991194 1025218236 /nfs/dbraw/zinc/21/82/36/1025218236.db2.gz BXABHWODGJBCCM-UHFFFAOYSA-N 1 0 349.478 4.197 20 30 EIEDRO CCOCCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181879583 1025235449 /nfs/dbraw/zinc/23/54/49/1025235449.db2.gz HJVKRLAMZRECFE-QGZVFWFLSA-N 1 0 338.451 4.133 20 30 EIEDRO CO[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000481665959 1025244451 /nfs/dbraw/zinc/24/44/51/1025244451.db2.gz GGTOCGSBWUJYKF-LEWJYISDSA-N 1 0 338.426 4.442 20 30 EIEDRO C[C@H](C#N)C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000548523525 1025351400 /nfs/dbraw/zinc/35/14/00/1025351400.db2.gz YIXRMCWZYFMBDN-OLZOCXBDSA-N 1 0 347.256 4.119 20 30 EIEDRO CC[C@H]([NH2+]Cc1cccc(OCCCOC)c1)c1ccc(C#N)cc1 ZINC000278894991 1025352297 /nfs/dbraw/zinc/35/22/97/1025352297.db2.gz YVPXXEDQCQZFAI-NRFANRHFSA-N 1 0 338.451 4.214 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N(CC)CC)c1ccc(C(F)(F)F)cc1 ZINC000342195690 1025418552 /nfs/dbraw/zinc/41/85/52/1025418552.db2.gz CLGVVKGLWYNYRP-INIZCTEOSA-N 1 0 342.405 4.171 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC2(c3ccccc3C)CC2)cc1OC ZINC000303184414 1025464995 /nfs/dbraw/zinc/46/49/95/1025464995.db2.gz UDCHBFVLZAAXCX-UHFFFAOYSA-N 1 0 337.463 4.390 20 30 EIEDRO CC1(C)[C@@H]([NH2+]Cc2ccc(C#N)s2)C[C@@H]1OCc1ccccc1 ZINC000472038519 1025471585 /nfs/dbraw/zinc/47/15/85/1025471585.db2.gz PUWOYROJCXVWLB-ROUUACIJSA-N 1 0 326.465 4.093 20 30 EIEDRO CC1(C)[C@H]([NH2+]Cc2cc(C#N)cs2)C[C@H]1OCc1ccccc1 ZINC000472044926 1025495058 /nfs/dbraw/zinc/49/50/58/1025495058.db2.gz VZGILTPIQNKQNQ-QZTJIDSGSA-N 1 0 326.465 4.093 20 30 EIEDRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc(C#N)cc3)c2)CC1 ZINC000538795427 1025543027 /nfs/dbraw/zinc/54/30/27/1025543027.db2.gz AJYIMUMCLOAVCC-UHFFFAOYSA-N 1 0 347.462 4.085 20 30 EIEDRO N#Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)cc1 ZINC000609475254 1025650834 /nfs/dbraw/zinc/65/08/34/1025650834.db2.gz XCSMBCQJBWHBNY-UHFFFAOYSA-N 1 0 344.418 4.261 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)cc1Cl ZINC000467763655 1025736154 /nfs/dbraw/zinc/73/61/54/1025736154.db2.gz JVTIMIBHPVPSEQ-ZWKOTPCHSA-N 1 0 345.874 4.375 20 30 EIEDRO COc1ccc(C[NH2+]C[C@H](C)c2ccccc2)cc1OCCCC#N ZINC000299454892 1025799484 /nfs/dbraw/zinc/79/94/84/1025799484.db2.gz UIAJNSFYSQKICZ-KRWDZBQOSA-N 1 0 338.451 4.271 20 30 EIEDRO C=CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000512046063 1025842038 /nfs/dbraw/zinc/84/20/38/1025842038.db2.gz QFHHZAMYPLDMLP-POHAHGRESA-N 1 0 333.391 4.168 20 30 EIEDRO CC[N@H+](CCOCc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000609384978 1025852649 /nfs/dbraw/zinc/85/26/49/1025852649.db2.gz AQBOGOJTCPXDQM-KRWDZBQOSA-N 1 0 338.451 4.167 20 30 EIEDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440403636 1025859056 /nfs/dbraw/zinc/85/90/56/1025859056.db2.gz GCYGJDREMGOCIM-AWEZNQCLSA-N 1 0 349.352 4.335 20 30 EIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1OC ZINC000539253051 1025897568 /nfs/dbraw/zinc/89/75/68/1025897568.db2.gz JSOSTDHIIFFINJ-CQSZACIVSA-N 1 0 342.414 4.346 20 30 EIEDRO Cc1ccccc1C1CC([N@H+](C[C@@H](O)c2ccc(C#N)cc2)C2CC2)C1 ZINC001167539396 1025998648 /nfs/dbraw/zinc/99/86/48/1025998648.db2.gz MGCUMHYUFXYHTO-POOLCLQXSA-N 1 0 346.474 4.311 20 30 EIEDRO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[C@H](C#N)C3)c2)cc1 ZINC000472141370 1026006570 /nfs/dbraw/zinc/00/65/70/1026006570.db2.gz BNBDELPSTLGOBG-LPHOPBHVSA-N 1 0 333.435 4.029 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000431338510 1026023631 /nfs/dbraw/zinc/02/36/31/1026023631.db2.gz TZCHLMQGBISTHM-NRFANRHFSA-N 1 0 340.511 4.019 20 30 EIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1OC ZINC000539427646 1026072491 /nfs/dbraw/zinc/07/24/91/1026072491.db2.gz JURYXCHFBNNXAX-ZDUSSCGKSA-N 1 0 330.453 4.268 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000344165330 1026080988 /nfs/dbraw/zinc/08/09/88/1026080988.db2.gz QOGSHHQPFHVYAI-CYBMUJFWSA-N 1 0 332.494 4.209 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000550100599 1026097686 /nfs/dbraw/zinc/09/76/86/1026097686.db2.gz JUMBRVLYXKEQBQ-CZUORRHYSA-N 1 0 338.373 4.457 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccnn1CC1CCC1 ZINC000926369110 1026114049 /nfs/dbraw/zinc/11/40/49/1026114049.db2.gz AZECEULTQKDQTL-ZDUSSCGKSA-N 1 0 328.847 4.059 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCc2c1cccc2Cl ZINC000512177645 1026237293 /nfs/dbraw/zinc/23/72/93/1026237293.db2.gz HCICPPWEFSPXBD-LJQANCHMSA-N 1 0 331.843 4.491 20 30 EIEDRO Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCC#N)c1 ZINC000344340030 1026253196 /nfs/dbraw/zinc/25/31/96/1026253196.db2.gz ZNMIMZUUFVVPAT-UHFFFAOYSA-N 1 0 344.462 4.300 20 30 EIEDRO CCc1ccc([C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C(C)C)cc1 ZINC000551799326 1026260529 /nfs/dbraw/zinc/26/05/29/1026260529.db2.gz SKIVVOWCRLNLIU-OAQYLSRUSA-N 1 0 332.451 4.255 20 30 EIEDRO COc1c(F)cccc1C[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001143530262 1026263865 /nfs/dbraw/zinc/26/38/65/1026263865.db2.gz PGLOKKPXGCYFJN-UHFFFAOYSA-N 1 0 338.426 4.161 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000926377744 1026289051 /nfs/dbraw/zinc/28/90/51/1026289051.db2.gz LWIHPSBYWWUEKP-XHDPSFHLSA-N 1 0 336.277 4.213 20 30 EIEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000582273541 1026396876 /nfs/dbraw/zinc/39/68/76/1026396876.db2.gz WANWXOOAHYPGSQ-CYBMUJFWSA-N 1 0 348.368 4.346 20 30 EIEDRO CCC(CC)C[N@H+](CC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279463509 1026437399 /nfs/dbraw/zinc/43/73/99/1026437399.db2.gz UPOAYXSIDAMSQA-UHFFFAOYSA-N 1 0 339.487 4.117 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)ccc1C#N ZINC000550275209 1026465273 /nfs/dbraw/zinc/46/52/73/1026465273.db2.gz YLLOOSGTYJZXGR-HNNXBMFYSA-N 1 0 334.398 4.042 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1 ZINC000127617140 1026601086 /nfs/dbraw/zinc/60/10/86/1026601086.db2.gz ONWLEOSVPDVDOY-JLCFBVMHSA-N 1 0 343.920 4.016 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CCCCC(C)(C)C#N)CC1 ZINC000375703038 1026601986 /nfs/dbraw/zinc/60/19/86/1026601986.db2.gz JYNOXMMGVJIKKC-UHFFFAOYSA-N 1 0 349.519 4.182 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2cc3ccccc3o2)cc1OC ZINC000606912713 1026623967 /nfs/dbraw/zinc/62/39/67/1026623967.db2.gz BXEAALYEFYCJIT-UHFFFAOYSA-N 1 0 337.419 4.339 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000582436387 1026628760 /nfs/dbraw/zinc/62/87/60/1026628760.db2.gz NZHWQOMARQQFCV-JRGCBEDISA-N 1 0 338.426 4.138 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2CC(C)C)cc1OCCCC#N ZINC000507169536 1026682040 /nfs/dbraw/zinc/68/20/40/1026682040.db2.gz WHMMRIAFVLEDKA-SFHVURJKSA-N 1 0 330.472 4.388 20 30 EIEDRO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000507172672 1026686748 /nfs/dbraw/zinc/68/67/48/1026686748.db2.gz GWXHKWBFGXGYCM-ALCCZGGFSA-N 1 0 335.407 4.390 20 30 EIEDRO CCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000507173760 1026687331 /nfs/dbraw/zinc/68/73/31/1026687331.db2.gz OJBFCYZHVLRKMT-UHFFFAOYSA-N 1 0 338.451 4.376 20 30 EIEDRO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)sc1Br ZINC000507211258 1026701963 /nfs/dbraw/zinc/70/19/63/1026701963.db2.gz LRCBBFVAWBZUPD-UHFFFAOYSA-N 1 0 335.270 4.323 20 30 EIEDRO C[C@H]1CC(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000562078751 1026760495 /nfs/dbraw/zinc/76/04/95/1026760495.db2.gz WHLYEIHYVQCKDV-STQMWFEESA-N 1 0 340.389 4.260 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)cc1 ZINC000479250234 1026792057 /nfs/dbraw/zinc/79/20/57/1026792057.db2.gz IFQRRZNHBJRRBL-BBRMVZONSA-N 1 0 343.833 4.280 20 30 EIEDRO C=CC[C@H]1N(Cc2csc(N(C(C)=O)C3CC3)n2)CCCC1(C)C ZINC000277693542 1026802759 /nfs/dbraw/zinc/80/27/59/1026802759.db2.gz HGKVSWMTPVDOJD-QGZVFWFLSA-N 1 0 347.528 4.225 20 30 EIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000339661002 1026811511 /nfs/dbraw/zinc/81/15/11/1026811511.db2.gz KYZZPUOGDQLPTI-LJQANCHMSA-N 1 0 348.425 4.020 20 30 EIEDRO CCCCCCCCCCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001625931408 1026822763 /nfs/dbraw/zinc/82/27/63/1026822763.db2.gz YENNEQQRMROVIQ-MSOLQXFVSA-N 1 0 340.577 4.213 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507611093 1026854067 /nfs/dbraw/zinc/85/40/67/1026854067.db2.gz NMYLKCJGBYXNRT-MSOLQXFVSA-N 1 0 342.462 4.124 20 30 EIEDRO CO[C@@]1(C)C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1(C)C ZINC000507612366 1026854584 /nfs/dbraw/zinc/85/45/84/1026854584.db2.gz BANMCFQPFHSUQM-OHWJTAOLSA-N 1 0 326.484 4.184 20 30 EIEDRO CCC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(F)cc1F ZINC000342767423 1026969343 /nfs/dbraw/zinc/96/93/43/1026969343.db2.gz BQNZDECPQCOZDO-SFHVURJKSA-N 1 0 340.377 4.115 20 30 EIEDRO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](CC)c1ccccc1 ZINC000519907019 1027038733 /nfs/dbraw/zinc/03/87/33/1027038733.db2.gz GBCPCYYIUDHFQR-LJQANCHMSA-N 1 0 341.499 4.192 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000178643427 1027061947 /nfs/dbraw/zinc/06/19/47/1027061947.db2.gz VXOAILSOWRSKJB-HZPDHXFCSA-N 1 0 333.435 4.097 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccc(C#N)cc1 ZINC000075755818 1027065918 /nfs/dbraw/zinc/06/59/18/1027065918.db2.gz HHOARLJPKWBYRV-ZDUSSCGKSA-N 1 0 342.826 4.224 20 30 EIEDRO CC(C)C[N@H+](CCOc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000520174028 1027277990 /nfs/dbraw/zinc/27/79/90/1027277990.db2.gz OQKAVBUPUUYYFE-UHFFFAOYSA-N 1 0 326.415 4.234 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CCOCC1 ZINC000657633838 1027339058 /nfs/dbraw/zinc/33/90/58/1027339058.db2.gz ZCDLQMSHZBSMDZ-UHFFFAOYSA-N 1 0 337.467 4.064 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)cc1OC ZINC000441191874 1027339423 /nfs/dbraw/zinc/33/94/23/1027339423.db2.gz AQVIRLHWNRQBQN-UHFFFAOYSA-N 1 0 336.435 4.074 20 30 EIEDRO C=CCC1([NH2+]Cc2cc(Cl)cc(Cl)c2OC)CCOCC1 ZINC000657633404 1027346243 /nfs/dbraw/zinc/34/62/43/1027346243.db2.gz OBHGXOWMXQTZQC-UHFFFAOYSA-N 1 0 330.255 4.217 20 30 EIEDRO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)C1CCCCC1 ZINC000185506892 1027402641 /nfs/dbraw/zinc/40/26/41/1027402641.db2.gz UMSKGMPXBKBRTD-LSDHHAIUSA-N 1 0 338.455 4.303 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC#Cc2ccccc2Cl)C1 ZINC000441265231 1027408229 /nfs/dbraw/zinc/40/82/29/1027408229.db2.gz RWQMTDWDTXOTMQ-ZIFCJYIRSA-N 1 0 330.903 4.029 20 30 EIEDRO C[C@@H](C[NH2+]CC1CCC(C#N)CC1)c1cccc(Br)c1 ZINC000441332135 1027469301 /nfs/dbraw/zinc/46/93/01/1027469301.db2.gz JBNMBIPTAJUMTJ-NFOMZHRRSA-N 1 0 335.289 4.472 20 30 EIEDRO Cc1noc([C@@H](C)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000611727883 1027523856 /nfs/dbraw/zinc/52/38/56/1027523856.db2.gz WQPWRXVJFHPKAC-ZIAGYGMSSA-N 1 0 332.407 4.329 20 30 EIEDRO CSc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000280871297 1027596327 /nfs/dbraw/zinc/59/63/27/1027596327.db2.gz OFOTXEOAZLCIOE-HNNXBMFYSA-N 1 0 326.465 4.204 20 30 EIEDRO CCn1c2ccccc2nc1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329154914 1027614931 /nfs/dbraw/zinc/61/49/31/1027614931.db2.gz APPDFJCWNLKBKO-QGZVFWFLSA-N 1 0 326.444 4.051 20 30 EIEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)C1 ZINC000329239775 1027663903 /nfs/dbraw/zinc/66/39/03/1027663903.db2.gz QOUDMTLEUVMWOI-KRWDZBQOSA-N 1 0 325.456 4.083 20 30 EIEDRO C[C@@H]1C[NH+](Cc2cccc(Nc3cccc(F)c3C#N)c2)C[C@@H](C)O1 ZINC000609964260 1027699715 /nfs/dbraw/zinc/69/97/15/1027699715.db2.gz BSCJOTVAXRESKD-HUUCEWRRSA-N 1 0 339.414 4.050 20 30 EIEDRO CC(C)(CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC001168074132 1027721483 /nfs/dbraw/zinc/72/14/83/1027721483.db2.gz QNZBNZKCTDBJEP-UHFFFAOYSA-N 1 0 339.483 4.035 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2CCC(C)C)CC1 ZINC000473962080 1027753873 /nfs/dbraw/zinc/75/38/73/1027753873.db2.gz XZAQYMVIGPTBQL-LJQANCHMSA-N 1 0 335.536 4.027 20 30 EIEDRO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cc(Cl)cc(C#N)c2)cc1 ZINC001167641848 1027757865 /nfs/dbraw/zinc/75/78/65/1027757865.db2.gz MPOFEBFEFTYPGH-SFHVURJKSA-N 1 0 326.827 4.037 20 30 EIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000282011677 1027760268 /nfs/dbraw/zinc/76/02/68/1027760268.db2.gz ONXZAHFOQRBYIX-RBUKOAKNSA-N 1 0 326.484 4.273 20 30 EIEDRO Cc1cc(C)c(NC(=O)CNC(=O)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000329425739 1027776316 /nfs/dbraw/zinc/77/63/16/1027776316.db2.gz GWEDANTYKIXBOE-QGZVFWFLSA-N 1 0 345.487 4.421 20 30 EIEDRO NC(=O)[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000328721807 1027791498 /nfs/dbraw/zinc/79/14/98/1027791498.db2.gz RMCLNBQJVQVHNH-IAGOWNOFSA-N 1 0 349.519 4.331 20 30 EIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328685749 1027794202 /nfs/dbraw/zinc/79/42/02/1027794202.db2.gz XSGBVYKATMHUHI-CVEARBPZSA-N 1 0 337.508 4.133 20 30 EIEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC(=O)NCCC2=CCCCC2)C1 ZINC000328760340 1027804220 /nfs/dbraw/zinc/80/42/20/1027804220.db2.gz XDJODHAXBZHIDA-MDNKFWRPSA-N 1 0 348.531 4.095 20 30 EIEDRO C[N@@H+]1CC[C@H](NC(=O)c2coc(C3CCCC3)n2)[C@@H]1c1ccccc1 ZINC000328766141 1027806798 /nfs/dbraw/zinc/80/67/98/1027806798.db2.gz PKDBXFNDESBCHQ-WMZOPIPTSA-N 1 0 339.439 4.082 20 30 EIEDRO C[C@H](CCc1ccc(O)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000328914469 1027836200 /nfs/dbraw/zinc/83/62/00/1027836200.db2.gz QFBQUZMRVNDQQG-BEFAXECRSA-N 1 0 330.472 4.077 20 30 EIEDRO C[N@H+](CCCC1(C#N)CCOCC1)CCc1cccc2ccccc21 ZINC000282017973 1027839627 /nfs/dbraw/zinc/83/96/27/1027839627.db2.gz OZRKCLMNDLRTIZ-UHFFFAOYSA-N 1 0 336.479 4.415 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000162344571 1027872976 /nfs/dbraw/zinc/87/29/76/1027872976.db2.gz WRHRVIHSEDAZJH-OWCLPIDISA-N 1 0 345.512 4.188 20 30 EIEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000909605988 1027881242 /nfs/dbraw/zinc/88/12/42/1027881242.db2.gz RUDZVYUSMIHVMN-LJQANCHMSA-N 1 0 335.451 4.083 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000583052874 1027895099 /nfs/dbraw/zinc/89/50/99/1027895099.db2.gz LAJBKDNIOFSVMH-CQSZACIVSA-N 1 0 345.512 4.114 20 30 EIEDRO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000444652148 1027923312 /nfs/dbraw/zinc/92/33/12/1027923312.db2.gz WRCBGBAXFYXUOV-QZTJIDSGSA-N 1 0 334.504 4.150 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000444640545 1027935445 /nfs/dbraw/zinc/93/54/45/1027935445.db2.gz NTQURLZQYGXQKQ-FQEVSTJZSA-N 1 0 328.500 4.430 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444700379 1027989446 /nfs/dbraw/zinc/98/94/46/1027989446.db2.gz GBKBSIIYIPBIMD-PXNSSMCTSA-N 1 0 325.452 4.243 20 30 EIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428310553 1028018426 /nfs/dbraw/zinc/01/84/26/1028018426.db2.gz OQXNLIHNUVTGTI-OAHLLOKOSA-N 1 0 326.415 4.017 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Br)s1 ZINC000444769192 1028050323 /nfs/dbraw/zinc/05/03/23/1028050323.db2.gz WPJAXMGEOVRYOE-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO CC(C)[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1CCC1 ZINC000444772938 1028054490 /nfs/dbraw/zinc/05/44/90/1028054490.db2.gz XYUPUXYKSYYGEO-UHFFFAOYSA-N 1 0 347.890 4.097 20 30 EIEDRO C=CC[C@@H]1[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCCC1(C)C ZINC000444776471 1028063261 /nfs/dbraw/zinc/06/32/61/1028063261.db2.gz CFTZVEFLXYGSGD-SFHVURJKSA-N 1 0 334.548 4.338 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CC2CCC2)C(C)C)c1C ZINC000444785572 1028071580 /nfs/dbraw/zinc/07/15/80/1028071580.db2.gz QXRSGBZCRAJZOX-UHFFFAOYSA-N 1 0 341.499 4.061 20 30 EIEDRO O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000329846025 1028139209 /nfs/dbraw/zinc/13/92/09/1028139209.db2.gz QOLIONIBJUIXBG-GJZGRUSLSA-N 1 0 349.500 4.131 20 30 EIEDRO CC(C)(C)C(=O)NC1CCC(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000329863437 1028142593 /nfs/dbraw/zinc/14/25/93/1028142593.db2.gz RWZJRYYBBVMHEU-UHFFFAOYSA-N 1 0 349.519 4.131 20 30 EIEDRO C=CC[C@H]1N(C(=O)NCc2ccc(C[NH+](C)C)cc2)CCCC1(C)C ZINC000444888813 1028157977 /nfs/dbraw/zinc/15/79/77/1028157977.db2.gz WTFYCEJMAAQFFU-LJQANCHMSA-N 1 0 343.515 4.025 20 30 EIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cn(C)nc1C(C)(C)C ZINC000583170850 1028160899 /nfs/dbraw/zinc/16/08/99/1028160899.db2.gz PODUBSSIMWEVPD-UHFFFAOYSA-N 1 0 343.519 4.073 20 30 EIEDRO Cn1c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2nc1C(C)(C)C ZINC000330231616 1028234883 /nfs/dbraw/zinc/23/48/83/1028234883.db2.gz RCNSMTKWUZDZHA-KRWDZBQOSA-N 1 0 340.471 4.086 20 30 EIEDRO CC[C@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000330264635 1028240934 /nfs/dbraw/zinc/24/09/34/1028240934.db2.gz YDWAUVKVEBKPAM-ZDUSSCGKSA-N 1 0 331.485 4.351 20 30 EIEDRO CC[N@H+](Cc1cc(-n2ccnc2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000346129724 1028269836 /nfs/dbraw/zinc/26/98/36/1028269836.db2.gz GWTHUSRFIHEKAF-OAHLLOKOSA-N 1 0 336.464 4.389 20 30 EIEDRO COc1cc(C[NH2+]CCc2csc(-c3ccccc3)n2)ccc1C#N ZINC000440645382 1028307831 /nfs/dbraw/zinc/30/78/31/1028307831.db2.gz LXXRGWSRIQUNRD-UHFFFAOYSA-N 1 0 349.459 4.023 20 30 EIEDRO CC(C)C[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1F ZINC000281142148 1028409408 /nfs/dbraw/zinc/40/94/08/1028409408.db2.gz ATGDCSUVAQBURN-UHFFFAOYSA-N 1 0 332.463 4.384 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)nc1)c1ccc(C#N)cc1 ZINC000572945572 1028452964 /nfs/dbraw/zinc/45/29/64/1028452964.db2.gz HWEVPYOCLVROHS-INIZCTEOSA-N 1 0 349.356 4.135 20 30 EIEDRO N#Cc1cccc(C2([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)CC2)c1 ZINC000583337370 1028541617 /nfs/dbraw/zinc/54/16/17/1028541617.db2.gz USEVNZRKEIRPCK-OAQYLSRUSA-N 1 0 327.431 4.476 20 30 EIEDRO CC(C)C[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000346779022 1028656739 /nfs/dbraw/zinc/65/67/39/1028656739.db2.gz MGSPFCYOKDHRNC-UHFFFAOYSA-N 1 0 349.478 4.091 20 30 EIEDRO C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000281513288 1028672174 /nfs/dbraw/zinc/67/21/74/1028672174.db2.gz XMUQCJYBAPFEPO-IHPCNDPISA-N 1 0 343.515 4.036 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](CC)c2ccccc2O)cc(OC)c1OC ZINC000156486727 1028731592 /nfs/dbraw/zinc/73/15/92/1028731592.db2.gz GLAXLSMTPDMFJO-SFHVURJKSA-N 1 0 341.451 4.379 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000161719587 1028741234 /nfs/dbraw/zinc/74/12/34/1028741234.db2.gz JYELOLDQQGNOJD-HXUWFJFHSA-N 1 0 340.515 4.261 20 30 EIEDRO CCC1CCC([N@H+](C)CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000444031725 1028746896 /nfs/dbraw/zinc/74/68/96/1028746896.db2.gz NSUNMLQJFFRTDC-UHFFFAOYSA-N 1 0 345.512 4.141 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000281631847 1028819137 /nfs/dbraw/zinc/81/91/37/1028819137.db2.gz IGNYDTRWRUUWMH-UHFFFAOYSA-N 1 0 335.451 4.080 20 30 EIEDRO CCCCN(CCC#N)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168050521 1028895196 /nfs/dbraw/zinc/89/51/96/1028895196.db2.gz BNSJOEUOFZFGNQ-CEQLMSFQSA-N 1 0 327.516 4.444 20 30 EIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(OC(F)F)c1 ZINC000281890985 1028912928 /nfs/dbraw/zinc/91/29/28/1028912928.db2.gz DSZJORCLJJRLDC-CQSZACIVSA-N 1 0 338.398 4.039 20 30 EIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000445884819 1028971062 /nfs/dbraw/zinc/97/10/62/1028971062.db2.gz IVZAVHOQAROLBY-GFCCVEGCSA-N 1 0 336.304 4.226 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000446001068 1029065679 /nfs/dbraw/zinc/06/56/79/1029065679.db2.gz GXEWSCMFWXUESM-JLJPHGGASA-N 1 0 327.390 4.258 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246586651 1029091856 /nfs/dbraw/zinc/09/18/56/1029091856.db2.gz ZWFFZSIVRWPZMB-YSIASYRMSA-N 1 0 343.515 4.066 20 30 EIEDRO Cc1ccc(C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C2CC2)cc1C ZINC000444226018 1029092268 /nfs/dbraw/zinc/09/22/68/1029092268.db2.gz MKNNKGRKSJNMTB-UHFFFAOYSA-N 1 0 347.462 4.168 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000522936671 1029117010 /nfs/dbraw/zinc/11/70/10/1029117010.db2.gz XAPAHPNIRXHULD-LJQANCHMSA-N 1 0 325.843 4.461 20 30 EIEDRO C=CCCCN(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000522986992 1029149776 /nfs/dbraw/zinc/14/97/76/1029149776.db2.gz DEQHDRIXKFHGFB-SFHVURJKSA-N 1 0 349.906 4.085 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1ccccc1Br)CC2 ZINC000583782410 1029167760 /nfs/dbraw/zinc/16/77/60/1029167760.db2.gz KWTCZGPKVIJCGI-GOSISDBHSA-N 1 0 341.252 4.140 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H](C)C#N ZINC000103469622 1029197785 /nfs/dbraw/zinc/19/77/85/1029197785.db2.gz OBTDHLVMSTYYOV-QGZVFWFLSA-N 1 0 335.451 4.164 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@H](CC)c1ccc(Br)cc1Cl ZINC000343490771 1029357718 /nfs/dbraw/zinc/35/77/18/1029357718.db2.gz AYBAFJLOXQQJAN-BXUZGUMPSA-N 1 0 332.669 4.080 20 30 EIEDRO COc1cccc(NC(=[NH2+])N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000262456334 1029390034 /nfs/dbraw/zinc/39/00/34/1029390034.db2.gz LGTZDEVVGJTCGU-SAZUREKKSA-N 1 0 329.831 4.021 20 30 EIEDRO C[C@H]([NH2+]C1(CNC(=O)C2(C)CCCC2)CCOCC1)c1ccccc1 ZINC000329584103 1029415057 /nfs/dbraw/zinc/41/50/57/1029415057.db2.gz XRJDFZCBHRUYSL-KRWDZBQOSA-N 1 0 344.499 4.423 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000278539413 1029451218 /nfs/dbraw/zinc/45/12/18/1029451218.db2.gz ABEIZVAVBCGUAR-UHFFFAOYSA-N 1 0 334.891 4.343 20 30 EIEDRO C=CCOc1cccc(C[NH2+]CC2CCN(c3ccccc3)CC2)c1 ZINC000475265429 1029474964 /nfs/dbraw/zinc/47/49/64/1029474964.db2.gz AVQDTAVLPAASSI-UHFFFAOYSA-N 1 0 336.479 4.258 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000475278932 1029487183 /nfs/dbraw/zinc/48/71/83/1029487183.db2.gz LWFLDKVTBPOAGM-UHFFFAOYSA-N 1 0 341.451 4.291 20 30 EIEDRO CCC(CC)(C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000446754654 1029560420 /nfs/dbraw/zinc/56/04/20/1029560420.db2.gz XUOFIZCWAWSAOZ-WMZOPIPTSA-N 1 0 344.499 4.434 20 30 EIEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168063949 1029621969 /nfs/dbraw/zinc/62/19/69/1029621969.db2.gz OPYIDOYNYBYBID-JTJHWIPRSA-N 1 0 325.500 4.054 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000525422835 1029633955 /nfs/dbraw/zinc/63/39/55/1029633955.db2.gz YDGFJGCGBCIVSP-OAQYLSRUSA-N 1 0 338.451 4.275 20 30 EIEDRO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807103 1029639759 /nfs/dbraw/zinc/63/97/59/1029639759.db2.gz FGWDKCUTEWHNEE-INIZCTEOSA-N 1 0 338.414 4.343 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000192907683 1029640001 /nfs/dbraw/zinc/64/00/01/1029640001.db2.gz HLYBFSCCNHJYJY-CYBMUJFWSA-N 1 0 334.341 4.459 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000446976061 1029655528 /nfs/dbraw/zinc/65/55/28/1029655528.db2.gz FJXMXIKMPKFLAF-OAHLLOKOSA-N 1 0 326.362 4.143 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2c(C#N)cnc3c(C)cc(F)cc32)CC1 ZINC000301387335 1029722097 /nfs/dbraw/zinc/72/20/97/1029722097.db2.gz DGEPDBLFQMVHKP-UHFFFAOYSA-N 1 0 338.430 4.006 20 30 EIEDRO CC[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(C#N)cc1 ZINC000278725342 1029742323 /nfs/dbraw/zinc/74/23/23/1029742323.db2.gz MJGKCKFEGNYKPT-SFHVURJKSA-N 1 0 330.378 4.443 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000665667033 1029762720 /nfs/dbraw/zinc/76/27/20/1029762720.db2.gz WJEXMIHXNBVQQB-SFHVURJKSA-N 1 0 340.467 4.039 20 30 EIEDRO C=C(C)[C@@H](NCC(=O)Nc1cccc(C)c1C)c1ccc(F)c(F)c1 ZINC000187787157 1029795376 /nfs/dbraw/zinc/79/53/76/1029795376.db2.gz WMFBRZUTDFAIBP-HXUWFJFHSA-N 1 0 344.405 4.427 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1cccc2ccccc21 ZINC000053017254 1029799581 /nfs/dbraw/zinc/79/95/81/1029799581.db2.gz GYSSCFUARJHLKR-UHFFFAOYSA-N 1 0 343.430 4.172 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 ZINC000086187680 1029839280 /nfs/dbraw/zinc/83/92/80/1029839280.db2.gz LFNCBSHIUUYFME-GFCCVEGCSA-N 1 0 337.814 4.274 20 30 EIEDRO C=CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000091537157 1029888070 /nfs/dbraw/zinc/88/80/70/1029888070.db2.gz JXJMTWCLMGTURU-CYBMUJFWSA-N 1 0 339.277 4.064 20 30 EIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000181756454 1029917656 /nfs/dbraw/zinc/91/76/56/1029917656.db2.gz LNCINZYCXVAWOQ-INIZCTEOSA-N 1 0 347.418 4.030 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1 ZINC000183687460 1030017573 /nfs/dbraw/zinc/01/75/73/1030017573.db2.gz SMQTVZNHNFNVIS-MRXNPFEDSA-N 1 0 333.410 4.022 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1 ZINC000447517363 1030114821 /nfs/dbraw/zinc/11/48/21/1030114821.db2.gz SATIVMKNCFSWEE-UXHICEINSA-N 1 0 337.467 4.419 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000441278207 1030123448 /nfs/dbraw/zinc/12/34/48/1030123448.db2.gz RBXVMONFMZWOQN-FGZHOGPDSA-N 1 0 346.474 4.474 20 30 EIEDRO C[C@H](C1CC1)[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000164733474 1030135283 /nfs/dbraw/zinc/13/52/83/1030135283.db2.gz FIJCNZYFYXLWOI-QGZVFWFLSA-N 1 0 347.462 4.188 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](c1ccc(C)o1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447562817 1030171109 /nfs/dbraw/zinc/17/11/09/1030171109.db2.gz NHLJFSXSZINJLM-WOJBJXKFSA-N 1 0 337.467 4.338 20 30 EIEDRO C[C@H](Cc1ccsc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000525998050 1030202632 /nfs/dbraw/zinc/20/26/32/1030202632.db2.gz CQTRGNNDSYAYQD-OAHLLOKOSA-N 1 0 326.465 4.094 20 30 EIEDRO COc1cc(C#N)ccc1C[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451139793 1030254411 /nfs/dbraw/zinc/25/44/11/1030254411.db2.gz AYLOLTSGPFFSSO-YWPYICTPSA-N 1 0 326.362 4.118 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000526944620 1030338405 /nfs/dbraw/zinc/33/84/05/1030338405.db2.gz GOSJLLZUFKZPDM-HUUCEWRRSA-N 1 0 330.497 4.365 20 30 EIEDRO C=CCN1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189169083 1030455209 /nfs/dbraw/zinc/45/52/09/1030455209.db2.gz LUWQGYWEXOPWNY-UHFFFAOYSA-N 1 0 332.797 4.099 20 30 EIEDRO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000448032194 1030529402 /nfs/dbraw/zinc/52/94/02/1030529402.db2.gz WAWDKACRIDTSOI-IRXDYDNUSA-N 1 0 336.483 4.169 20 30 EIEDRO N#CCSCCC[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000451531529 1030541924 /nfs/dbraw/zinc/54/19/24/1030541924.db2.gz SAQDXYFYCPMIOB-UHFFFAOYSA-N 1 0 340.895 4.333 20 30 EIEDRO C=CCn1c(SCCC[NH+](CC)CC)nnc1-c1ccccc1C ZINC000527244926 1030577454 /nfs/dbraw/zinc/57/74/54/1030577454.db2.gz QNUSQLVOENFNQA-UHFFFAOYSA-N 1 0 344.528 4.264 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000657918563 1030585612 /nfs/dbraw/zinc/58/56/12/1030585612.db2.gz FFZJJTOFCQVJLM-WBVHZDCISA-N 1 0 327.497 4.472 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1 ZINC000451696648 1030651853 /nfs/dbraw/zinc/65/18/53/1030651853.db2.gz POTOGSAUDFDRQJ-HJNYFJLDSA-N 1 0 346.474 4.208 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000527489769 1030727031 /nfs/dbraw/zinc/72/70/31/1030727031.db2.gz WHDPHHHCZQRIMU-PKOBYXMFSA-N 1 0 334.891 4.195 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000399278016 1030747457 /nfs/dbraw/zinc/74/74/57/1030747457.db2.gz WMMKMRBUCQGCLI-CYBMUJFWSA-N 1 0 329.241 4.366 20 30 EIEDRO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000127581022 1030797981 /nfs/dbraw/zinc/79/79/81/1030797981.db2.gz MPZJRDWDBZXRQH-HOTGVXAUSA-N 1 0 349.478 4.361 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000452003795 1030819335 /nfs/dbraw/zinc/81/93/35/1030819335.db2.gz GNNRIYFCWREUJM-LSDHHAIUSA-N 1 0 345.512 4.140 20 30 EIEDRO C=CCC[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000658116361 1030830018 /nfs/dbraw/zinc/83/00/18/1030830018.db2.gz JTPIIIFEXCPUBL-ZDUSSCGKSA-N 1 0 346.496 4.286 20 30 EIEDRO Cc1cc(Cl)cc(C)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548859336 1030837230 /nfs/dbraw/zinc/83/72/30/1030837230.db2.gz PBIMYTAHRODGBR-UHFFFAOYSA-N 1 0 339.870 4.409 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000237660485 1030847110 /nfs/dbraw/zinc/84/71/10/1030847110.db2.gz YDIFCEPAYWBMQM-UHFFFAOYSA-N 1 0 326.827 4.007 20 30 EIEDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000103141485 1030851085 /nfs/dbraw/zinc/85/10/85/1030851085.db2.gz LUPLVFJZZPCXDZ-UHFFFAOYSA-N 1 0 326.415 4.126 20 30 EIEDRO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c(C)s1 ZINC000527808222 1030855180 /nfs/dbraw/zinc/85/51/80/1030855180.db2.gz FKYLOCYDRGNJIC-UHFFFAOYSA-N 1 0 326.465 4.032 20 30 EIEDRO Cc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c(Cl)c1 ZINC000527810970 1030855979 /nfs/dbraw/zinc/85/59/79/1030855979.db2.gz OARDVXGBWGYVRE-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc(Cl)c3F)CCOCC2)cc1 ZINC000527807234 1030866414 /nfs/dbraw/zinc/86/64/14/1030866414.db2.gz BOXUDZFJXWHIJJ-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2cccc(COc3ccccc3)c2)c1 ZINC000531117675 1030896786 /nfs/dbraw/zinc/89/67/86/1030896786.db2.gz XAHXUHJKRUXPLC-UHFFFAOYSA-N 1 0 334.444 4.489 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000248932510 1031026254 /nfs/dbraw/zinc/02/62/54/1031026254.db2.gz XXUOXTREUMTCDS-GUTXKFCHSA-N 1 0 326.362 4.361 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000052753733 1031059018 /nfs/dbraw/zinc/05/90/18/1031059018.db2.gz OLUCGKVXTAHLPW-GOSISDBHSA-N 1 0 332.447 4.226 20 30 EIEDRO C[C@]1(C#N)CCC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000612165095 1031073721 /nfs/dbraw/zinc/07/37/21/1031073721.db2.gz IWPCZHRFMIYMER-QGZVFWFLSA-N 1 0 340.389 4.490 20 30 EIEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CCCCC#N)cc1OC ZINC000102401712 1031258614 /nfs/dbraw/zinc/25/86/14/1031258614.db2.gz ULRXEJOJDZWDKD-GOSISDBHSA-N 1 0 330.472 4.185 20 30 EIEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CCC(C)CC3)C2)CC1 ZINC001168210204 1031274555 /nfs/dbraw/zinc/27/45/55/1031274555.db2.gz IJVFLYOLFSBZHO-UHFFFAOYSA-N 1 0 334.504 4.066 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccccc1OC(F)F ZINC000179715747 1031274984 /nfs/dbraw/zinc/27/49/84/1031274984.db2.gz CVZGQPSPLWZYPM-MRXNPFEDSA-N 1 0 346.377 4.409 20 30 EIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000532567069 1031301634 /nfs/dbraw/zinc/30/16/34/1031301634.db2.gz FOXJZKZNPWUWPT-FPOVZHCZSA-N 1 0 338.426 4.263 20 30 EIEDRO CCC(C#N)(CC)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000528306330 1031382362 /nfs/dbraw/zinc/38/23/62/1031382362.db2.gz UNAIZXJZSXNEIQ-UHFFFAOYSA-N 1 0 341.499 4.009 20 30 EIEDRO C=C(C)CC[N@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC001168234648 1031386460 /nfs/dbraw/zinc/38/64/60/1031386460.db2.gz NJSAHSSPFOFDOI-UHFFFAOYSA-N 1 0 330.520 4.200 20 30 EIEDRO CCCn1ncnc1CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364810862 1031408491 /nfs/dbraw/zinc/40/84/91/1031408491.db2.gz PMQXEARMTPDYPT-INIZCTEOSA-N 1 0 345.450 4.078 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364915846 1031437116 /nfs/dbraw/zinc/43/71/16/1031437116.db2.gz MOVFZABTAJYCKB-ACJLOTCBSA-N 1 0 348.368 4.189 20 30 EIEDRO Cc1ccc([C@H](C[NH2+]C2CCC(C)(C#N)CC2)N2CCCC2)cc1 ZINC000449109370 1031446501 /nfs/dbraw/zinc/44/65/01/1031446501.db2.gz YONAGBYEKDUVNZ-KBWCOIMZSA-N 1 0 325.500 4.194 20 30 EIEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CCCCC1 ZINC000924540554 1031447521 /nfs/dbraw/zinc/44/75/21/1031447521.db2.gz FERJVJWQERRQEK-INIZCTEOSA-N 1 0 349.519 4.228 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)CC1 ZINC000449092744 1031452375 /nfs/dbraw/zinc/45/23/75/1031452375.db2.gz UBVLLDUDOYYWQZ-UHFFFAOYSA-N 1 0 339.483 4.377 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)cc1OC ZINC000449120554 1031456896 /nfs/dbraw/zinc/45/68/96/1031456896.db2.gz DKSOETAUJBKWHJ-UHFFFAOYSA-N 1 0 330.472 4.043 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000449143094 1031478810 /nfs/dbraw/zinc/47/88/10/1031478810.db2.gz VRXCEHUXPLMZIV-QGZVFWFLSA-N 1 0 335.536 4.218 20 30 EIEDRO C[C@@H](c1ccccc1)N1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449148565 1031480843 /nfs/dbraw/zinc/48/08/43/1031480843.db2.gz KQHHHQCGPCAYRJ-OCDPCBSRSA-N 1 0 325.500 4.274 20 30 EIEDRO CN1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@@H]1c1cccs1 ZINC000449161091 1031500807 /nfs/dbraw/zinc/50/08/07/1031500807.db2.gz NSKOCFKNOVMGHE-JCJXWUGKSA-N 1 0 331.529 4.193 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccc(F)c(F)c1F ZINC000612419725 1031501505 /nfs/dbraw/zinc/50/15/05/1031501505.db2.gz JKTZQRRLYWZZSZ-KRWDZBQOSA-N 1 0 330.353 4.185 20 30 EIEDRO CCOc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1OC(F)F ZINC000449192482 1031511217 /nfs/dbraw/zinc/51/12/17/1031511217.db2.gz QTMAKSNYCQSPAY-UHFFFAOYSA-N 1 0 338.398 4.249 20 30 EIEDRO CN(Cc1ccc(C#N)c(F)c1)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000365256389 1031575665 /nfs/dbraw/zinc/57/56/65/1031575665.db2.gz NIBGLSHVKFWLEA-OAQYLSRUSA-N 1 0 349.384 4.453 20 30 EIEDRO C[C@@H](CCCc1cccnc1)[NH2+]CCSCc1ccccc1C#N ZINC000453091788 1031585577 /nfs/dbraw/zinc/58/55/77/1031585577.db2.gz ZYIJFARZLJLNID-KRWDZBQOSA-N 1 0 339.508 4.187 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CCCS2)c1 ZINC000531789302 1031606836 /nfs/dbraw/zinc/60/68/36/1031606836.db2.gz YQTWAMADORZBIS-FQEVSTJZSA-N 1 0 338.476 4.122 20 30 EIEDRO COCC1(C#N)CC[NH+](Cc2ccccc2-c2ccccc2C)CC1 ZINC000449312337 1031629166 /nfs/dbraw/zinc/62/91/66/1031629166.db2.gz QBCQKMCJMADCAP-UHFFFAOYSA-N 1 0 334.463 4.414 20 30 EIEDRO Cn1cc(C[N@H+](Cc2cccs2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179926583 1031635351 /nfs/dbraw/zinc/63/53/51/1031635351.db2.gz VSNPNDANGQKZMD-UHFFFAOYSA-N 1 0 348.475 4.185 20 30 EIEDRO CCCCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1OC ZINC000236690053 1031653857 /nfs/dbraw/zinc/65/38/57/1031653857.db2.gz YHQCRPAXPOAYJV-UHFFFAOYSA-N 1 0 342.414 4.175 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)ccc1F ZINC000449372042 1031667494 /nfs/dbraw/zinc/66/74/94/1031667494.db2.gz BPGIPEUZGMSXAQ-MRXNPFEDSA-N 1 0 337.442 4.325 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453170061 1031676022 /nfs/dbraw/zinc/67/60/22/1031676022.db2.gz HKKHDBMDOUBTTE-MRXNPFEDSA-N 1 0 342.446 4.299 20 30 EIEDRO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OCC(F)(F)F)c1 ZINC000053355627 1031767680 /nfs/dbraw/zinc/76/76/80/1031767680.db2.gz SSGGMMAMWOYFFT-UHFFFAOYSA-N 1 0 334.341 4.131 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cc(Br)ccc32)C1 ZINC000453284673 1031805293 /nfs/dbraw/zinc/80/52/93/1031805293.db2.gz BJKZXAQAJIPTDV-NUTKFTJISA-N 1 0 333.273 4.498 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3cc(F)c(F)c(F)c31)CC2 ZINC000453334888 1031861382 /nfs/dbraw/zinc/86/13/82/1031861382.db2.gz IKYWKOSDDKJGNO-HZPDHXFCSA-N 1 0 328.337 4.240 20 30 EIEDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000453339534 1031863731 /nfs/dbraw/zinc/86/37/31/1031863731.db2.gz BQRZOYOWCJAFBA-GFCCVEGCSA-N 1 0 334.341 4.458 20 30 EIEDRO C=CCC1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000453386439 1031896632 /nfs/dbraw/zinc/89/66/32/1031896632.db2.gz VJOCSYDGKSZZJT-QUCCMNQESA-N 1 0 327.516 4.018 20 30 EIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000453362610 1031900397 /nfs/dbraw/zinc/90/03/97/1031900397.db2.gz BKRGWUOARVDJCL-SFHVURJKSA-N 1 0 339.370 4.118 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000453366422 1031908405 /nfs/dbraw/zinc/90/84/05/1031908405.db2.gz RSPGBOMTIYYDNW-RHSMWYFYSA-N 1 0 330.497 4.020 20 30 EIEDRO C=C(C)C[NH+]1CCC(N[C@@H](C)c2sccc2Br)CC1 ZINC000531975697 1031915548 /nfs/dbraw/zinc/91/55/48/1031915548.db2.gz QYTGYIXUQJOTOO-LBPRGKRZSA-N 1 0 343.334 4.202 20 30 EIEDRO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1OC ZINC000449734841 1031967969 /nfs/dbraw/zinc/96/79/69/1031967969.db2.gz OPPGKDQPTSYDQI-UHFFFAOYSA-N 1 0 348.805 4.048 20 30 EIEDRO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCOC1 ZINC000532016946 1031981401 /nfs/dbraw/zinc/98/14/01/1031981401.db2.gz FRDDIYNWJNXQBU-ZDUSSCGKSA-N 1 0 342.252 4.003 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000449790084 1032017790 /nfs/dbraw/zinc/01/77/90/1032017790.db2.gz JOWNDIDSHWXBDV-DZGCQCFKSA-N 1 0 331.872 4.484 20 30 EIEDRO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000449819799 1032025513 /nfs/dbraw/zinc/02/55/13/1032025513.db2.gz JTQOSMHZBJNIMS-QGZVFWFLSA-N 1 0 346.540 4.213 20 30 EIEDRO C=CCC1(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCCC1 ZINC000449816714 1032037456 /nfs/dbraw/zinc/03/74/56/1032037456.db2.gz ZYAPQVVPMXUQSI-UHFFFAOYSA-N 1 0 346.540 4.213 20 30 EIEDRO CN(Cc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1C(F)(F)F ZINC000573532043 1033390104 /nfs/dbraw/zinc/39/01/04/1033390104.db2.gz IWIHRSADUIHTOU-UHFFFAOYSA-N 1 0 349.312 4.117 20 30 EIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245778498 1033424168 /nfs/dbraw/zinc/42/41/68/1033424168.db2.gz ZONBEPVSGDDPTP-RHSMWYFYSA-N 1 0 343.496 4.173 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1Cl ZINC000573734172 1033440340 /nfs/dbraw/zinc/44/03/40/1033440340.db2.gz VJJGRNOIJKTKEK-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512612807 1033495333 /nfs/dbraw/zinc/49/53/33/1033495333.db2.gz PYUMPRCWXSRADF-KPZWWZAWSA-N 1 0 332.806 4.389 20 30 EIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CCO2 ZINC000614160944 1033533834 /nfs/dbraw/zinc/53/38/34/1033533834.db2.gz XTMUNZLORUYGPV-SFTDATJTSA-N 1 0 348.446 4.448 20 30 EIEDRO COc1ccc2c(c1)CCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000614164773 1033549981 /nfs/dbraw/zinc/54/99/81/1033549981.db2.gz YHICEZKXKPMKIL-UHFFFAOYSA-N 1 0 334.463 4.445 20 30 EIEDRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168196 1033555365 /nfs/dbraw/zinc/55/53/65/1033555365.db2.gz XLPBYCUQPXPTAF-SFHVURJKSA-N 1 0 334.463 4.486 20 30 EIEDRO Cc1ccccc1[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614168593 1033555971 /nfs/dbraw/zinc/55/59/71/1033555971.db2.gz LBMAYLVVCFTNGV-OAQYLSRUSA-N 1 0 334.463 4.370 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1F ZINC000512634879 1033577757 /nfs/dbraw/zinc/57/77/57/1033577757.db2.gz FPURBVRTGDAAFD-SYURPWHHSA-N 1 0 346.352 4.156 20 30 EIEDRO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614175858 1033595785 /nfs/dbraw/zinc/59/57/85/1033595785.db2.gz DMFLRFMNBGBYNB-UHFFFAOYSA-N 1 0 338.480 4.137 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc(C#N)cc1F ZINC000512647151 1033599827 /nfs/dbraw/zinc/59/98/27/1033599827.db2.gz GPPMXESFBPRTQX-HUUCEWRRSA-N 1 0 334.398 4.295 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000614179577 1033608361 /nfs/dbraw/zinc/60/83/61/1033608361.db2.gz SKYJROYKBDVISL-MYYSRTQBSA-N 1 0 340.492 4.076 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666375 1033661035 /nfs/dbraw/zinc/66/10/35/1033661035.db2.gz KFCLFVRTQPUUEI-RDTXWAMCSA-N 1 0 343.471 4.247 20 30 EIEDRO Cc1ccc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1C ZINC000433018947 1033666286 /nfs/dbraw/zinc/66/62/86/1033666286.db2.gz GZVLJZBARSHEHR-FQEVSTJZSA-N 1 0 335.451 4.267 20 30 EIEDRO C[N@H+](CCc1cccc2ccccc21)Cc1cnc2ccc(C#N)cn12 ZINC000512664251 1033674364 /nfs/dbraw/zinc/67/43/64/1033674364.db2.gz YTECGRGJBRVPQT-UHFFFAOYSA-N 1 0 340.430 4.034 20 30 EIEDRO C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433023286 1033679785 /nfs/dbraw/zinc/67/97/85/1033679785.db2.gz OMLLHCSLZZEXHZ-GHTZIAJQSA-N 1 0 349.478 4.231 20 30 EIEDRO CCOC(=O)c1ccc(-c2ccc(CN(CC)C[C@H](C)C#N)o2)cc1 ZINC000614231874 1033855447 /nfs/dbraw/zinc/85/54/47/1033855447.db2.gz NUUQOFRRWMWYMT-OAHLLOKOSA-N 1 0 340.423 4.105 20 30 EIEDRO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1Cl ZINC000453359984 1033956559 /nfs/dbraw/zinc/95/65/59/1033956559.db2.gz MUNYRZOFWMRHGW-NSHDSACASA-N 1 0 348.805 4.219 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433176648 1033987962 /nfs/dbraw/zinc/98/79/62/1033987962.db2.gz RDVARKAWKUQDCA-LJQANCHMSA-N 1 0 336.479 4.258 20 30 EIEDRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512811591 1034000714 /nfs/dbraw/zinc/00/07/14/1034000714.db2.gz IKTKQDHTMRFIFV-AWEZNQCLSA-N 1 0 342.389 4.441 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)cc1F ZINC000453384581 1034043211 /nfs/dbraw/zinc/04/32/11/1034043211.db2.gz NLQOGQKNMMVXMN-KRWDZBQOSA-N 1 0 330.790 4.354 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c(Cl)c1 ZINC000433299914 1034194165 /nfs/dbraw/zinc/19/41/65/1034194165.db2.gz CNCXAPHKRVIKGM-IBGZPJMESA-N 1 0 340.854 4.205 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000614402557 1034551195 /nfs/dbraw/zinc/55/11/95/1034551195.db2.gz JEKWDPQLTAMVDT-WMZHIEFXSA-N 1 0 347.506 4.352 20 30 EIEDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000151053517 1034629112 /nfs/dbraw/zinc/62/91/12/1034629112.db2.gz QJISEOCOJWQLHN-KRWDZBQOSA-N 1 0 330.435 4.212 20 30 EIEDRO COc1ccc(C#N)cc1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000513354034 1034888964 /nfs/dbraw/zinc/88/89/64/1034888964.db2.gz YHKBTCHIOOGMQD-APWZRJJASA-N 1 0 335.451 4.032 20 30 EIEDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000513386823 1034905500 /nfs/dbraw/zinc/90/55/00/1034905500.db2.gz QUZDGKAWOFZIMT-QGZVFWFLSA-N 1 0 330.472 4.258 20 30 EIEDRO Cc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)ccc1Br ZINC000501012746 1035344977 /nfs/dbraw/zinc/34/49/77/1035344977.db2.gz XDKRTVMPEYCKDM-UHFFFAOYSA-N 1 0 341.252 4.408 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(Cl)cc3F)CCOCC2)c1 ZINC000594984017 1035512008 /nfs/dbraw/zinc/51/20/08/1035512008.db2.gz LAZDJAPTBUSEEM-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO C=CCCSCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000595058307 1035536546 /nfs/dbraw/zinc/53/65/46/1035536546.db2.gz HCGOFRGMHVZQGM-AWEZNQCLSA-N 1 0 330.419 4.377 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000595055469 1035536760 /nfs/dbraw/zinc/53/67/60/1035536760.db2.gz FCLDOTNWEDMBOA-GJZGRUSLSA-N 1 0 335.476 4.492 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)c1cccc(C#N)c1 ZINC000595058529 1035537817 /nfs/dbraw/zinc/53/78/17/1035537817.db2.gz CLIVUTMDWPZLST-NVXWUHKLSA-N 1 0 339.870 4.389 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cncc(Br)c1 ZINC000595042191 1035565912 /nfs/dbraw/zinc/56/59/12/1035565912.db2.gz JUEDARPLSDNYGZ-DIFFPNOSSA-N 1 0 342.240 4.054 20 30 EIEDRO CCCC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@H](CC)c1ccccc1 ZINC000574917354 1035580717 /nfs/dbraw/zinc/58/07/17/1035580717.db2.gz QOKJLTAGXLQVOH-HXUWFJFHSA-N 1 0 347.466 4.354 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(OCC)cc1)Cc1cccs1 ZINC000485005848 1035588124 /nfs/dbraw/zinc/58/81/24/1035588124.db2.gz ZXRNXVSBOMFELZ-UHFFFAOYSA-N 1 0 344.480 4.164 20 30 EIEDRO CC(C)[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000595092210 1035597812 /nfs/dbraw/zinc/59/78/12/1035597812.db2.gz ZHJSWLQTBHNMOM-KRWDZBQOSA-N 1 0 327.428 4.294 20 30 EIEDRO CC[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000595091327 1035601855 /nfs/dbraw/zinc/60/18/55/1035601855.db2.gz PHBGHWYGOINLHN-MRXNPFEDSA-N 1 0 346.471 4.227 20 30 EIEDRO CCOc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1OC(F)F ZINC000046777049 1035652568 /nfs/dbraw/zinc/65/25/68/1035652568.db2.gz RAMIQAWHNLILPT-UHFFFAOYSA-N 1 0 346.377 4.190 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccsc1 ZINC000029620809 1035686978 /nfs/dbraw/zinc/68/69/78/1035686978.db2.gz FBWGNJALDHZMCU-KRWDZBQOSA-N 1 0 344.440 4.023 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000595520970 1035692019 /nfs/dbraw/zinc/69/20/19/1035692019.db2.gz UOAJGLVHPYGHLY-FQEVSTJZSA-N 1 0 330.435 4.204 20 30 EIEDRO COCc1cccc(OCC2(C[N@@H+]3CCC[C@H](CC#N)C3)CCC2)c1 ZINC000595619984 1035736277 /nfs/dbraw/zinc/73/62/77/1035736277.db2.gz IUPGACMZLXKSLF-GOSISDBHSA-N 1 0 342.483 4.008 20 30 EIEDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000595641221 1035755136 /nfs/dbraw/zinc/75/51/36/1035755136.db2.gz FTQHTOHZRCLXRK-GJZGRUSLSA-N 1 0 347.528 4.434 20 30 EIEDRO COc1ccccc1C1(C[NH2+]Cc2cc(C#N)cs2)CCCC1 ZINC000237111273 1035768644 /nfs/dbraw/zinc/76/86/44/1035768644.db2.gz SFTSMICJWTWFFL-UHFFFAOYSA-N 1 0 326.465 4.230 20 30 EIEDRO CC(C)(C)OC(=O)CCC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000595715753 1035772722 /nfs/dbraw/zinc/77/27/22/1035772722.db2.gz DDDQKOSTOJYEMN-UHFFFAOYSA-N 1 0 346.446 4.031 20 30 EIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)ccc1F ZINC000593126910 1035806218 /nfs/dbraw/zinc/80/62/18/1035806218.db2.gz XXYKKOYTDIZQKK-ACRUOGEOSA-N 1 0 336.410 4.192 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000076734790 1035818985 /nfs/dbraw/zinc/81/89/85/1035818985.db2.gz NBCALUDCGPAROL-UHFFFAOYSA-N 1 0 338.411 4.098 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccc(C#N)cc1 ZINC000596094797 1035820617 /nfs/dbraw/zinc/82/06/17/1035820617.db2.gz MFRJVFCLWHBSRS-PMACEKPBSA-N 1 0 342.446 4.472 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CSCc4ccccc43)CC2)cc1 ZINC000586789376 1035848508 /nfs/dbraw/zinc/84/85/08/1035848508.db2.gz ZGWUTHAPKXFWJR-OAQYLSRUSA-N 1 0 349.503 4.105 20 30 EIEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000586793847 1035849949 /nfs/dbraw/zinc/84/99/49/1035849949.db2.gz HUOUSYOXUAQMLL-XCLFUZPHSA-N 1 0 326.390 4.435 20 30 EIEDRO CCOc1ccc(/C=N/Cc2ccc(C[NH+]3CCCC3)cc2)c(O)c1 ZINC000026805008 1035874492 /nfs/dbraw/zinc/87/44/92/1035874492.db2.gz VVLCCBJEDBMUHU-PXLXIMEGSA-N 1 0 338.451 4.006 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593184177 1035894866 /nfs/dbraw/zinc/89/48/66/1035894866.db2.gz XWZQDDLZKKQPPQ-QFIPXVFZSA-N 1 0 333.479 4.264 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000485471313 1035919582 /nfs/dbraw/zinc/91/95/82/1035919582.db2.gz YTFLBUJQTQGFGD-IRXDYDNUSA-N 1 0 346.540 4.063 20 30 EIEDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)cc1OCCCC#N ZINC000414487557 1035932219 /nfs/dbraw/zinc/93/22/19/1035932219.db2.gz SLYGYMOHQYXGRH-RTBURBONSA-N 1 0 342.483 4.294 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(OC)c1O ZINC000761192617 1036005245 /nfs/dbraw/zinc/00/52/45/1036005245.db2.gz VDLOXPFVVMNKEU-UHFFFAOYSA-N 1 0 344.842 4.338 20 30 EIEDRO COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000502253107 1036008246 /nfs/dbraw/zinc/00/82/46/1036008246.db2.gz UHCIDDXYKLRWAR-CVEARBPZSA-N 1 0 338.451 4.166 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3cc4ccncc4s3)CC2)c1 ZINC000596989023 1036071975 /nfs/dbraw/zinc/07/19/75/1036071975.db2.gz MVFMENKYNHZAJH-UHFFFAOYSA-N 1 0 349.459 4.211 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C2CC2)C2CCC(CC)CC2)CC1 ZINC000485611188 1036074678 /nfs/dbraw/zinc/07/46/78/1036074678.db2.gz QEYSVJJKVXUMBZ-UHFFFAOYSA-N 1 0 347.547 4.170 20 30 EIEDRO CC[N@H+](CC(=O)N(C(C)C)C1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469550 1036134725 /nfs/dbraw/zinc/13/47/25/1036134725.db2.gz RFGIZHQZIOQGTC-QGZVFWFLSA-N 1 0 341.499 4.121 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CC4(CCC4)[C@@H]3C3CCOCC3)cc2)CC1 ZINC000597162752 1036137650 /nfs/dbraw/zinc/13/76/50/1036137650.db2.gz YLMVJIBJCMXJDQ-FQEVSTJZSA-N 1 0 336.479 4.023 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(C)c1OCc1ccccn1 ZINC000597173857 1036142045 /nfs/dbraw/zinc/14/20/45/1036142045.db2.gz LVXRSUNHTMDCBD-IBGZPJMESA-N 1 0 349.478 4.403 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597174319 1036143478 /nfs/dbraw/zinc/14/34/78/1036143478.db2.gz OVHNPQZHAOHMLK-CQSZACIVSA-N 1 0 341.436 4.449 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000421347890 1036292880 /nfs/dbraw/zinc/29/28/80/1036292880.db2.gz DOXYXDRGBWUVBW-CQSZACIVSA-N 1 0 341.480 4.250 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc(OC)c1O ZINC000421382163 1036341270 /nfs/dbraw/zinc/34/12/70/1036341270.db2.gz BMLXXORLIFTTCR-ZDUSSCGKSA-N 1 0 343.389 4.294 20 30 EIEDRO CCC(C#N)(CC)C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000602256497 1036363878 /nfs/dbraw/zinc/36/38/78/1036363878.db2.gz AIPZHTJHVIOLAI-UHFFFAOYSA-N 1 0 327.472 4.317 20 30 EIEDRO CCN(C(=O)CCCCCC#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000588648172 1036388826 /nfs/dbraw/zinc/38/88/26/1036388826.db2.gz CJQGHXHOCHDZNX-ICSRJNTNSA-N 1 0 341.499 4.144 20 30 EIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602449261 1036451963 /nfs/dbraw/zinc/45/19/63/1036451963.db2.gz PKWWBASIIPSZLM-UHFFFAOYSA-N 1 0 330.435 4.123 20 30 EIEDRO C[C@@H](CCC#N)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000602457311 1036453179 /nfs/dbraw/zinc/45/31/79/1036453179.db2.gz FSHXVOLDDFBYDI-HNNXBMFYSA-N 1 0 329.419 4.285 20 30 EIEDRO C[C@H](CCC#N)C[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000602458497 1036456385 /nfs/dbraw/zinc/45/63/85/1036456385.db2.gz MUAYJBGMFORKFX-ACJLOTCBSA-N 1 0 345.874 4.028 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](C)CC(C)(C)c2c[nH]c3ccccc32)CC1 ZINC000572184187 1036459803 /nfs/dbraw/zinc/45/98/03/1036459803.db2.gz QCFLPZGIQFAVHQ-QGZVFWFLSA-N 1 0 339.527 4.464 20 30 EIEDRO COc1ccc(Oc2cc(C[NH2+]C3CCC(C#N)CC3)ccn2)cc1 ZINC000602522480 1036477132 /nfs/dbraw/zinc/47/71/32/1036477132.db2.gz WAWGYJOLQAMRDS-UHFFFAOYSA-N 1 0 337.423 4.054 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000602522343 1036477484 /nfs/dbraw/zinc/47/74/84/1036477484.db2.gz VPFJAADFCXGQFL-OPFPJEHXSA-N 1 0 326.362 4.361 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(Cl)c1Cl ZINC000602523329 1036481313 /nfs/dbraw/zinc/48/13/13/1036481313.db2.gz AYEOWYWBVFFRQL-LBPRGKRZSA-N 1 0 327.255 4.182 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000414531534 1036490150 /nfs/dbraw/zinc/49/01/50/1036490150.db2.gz GJQFZYIZERWUQX-AEFFLSMTSA-N 1 0 328.481 4.272 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602525543 1036492081 /nfs/dbraw/zinc/49/20/81/1036492081.db2.gz CRRBZOMPVHVGEU-PQUAAJSLSA-N 1 0 331.891 4.147 20 30 EIEDRO COc1cccc(C([NH2+]C[C@@H](C)CCC#N)c2cccc(OC)c2)c1 ZINC000602565494 1036496998 /nfs/dbraw/zinc/49/69/98/1036496998.db2.gz QVBLWNWCFLPMOZ-INIZCTEOSA-N 1 0 338.451 4.323 20 30 EIEDRO Cc1c([C@H](C)[NH2+]C2CCC(C#N)CC2)cnn1-c1ccc(F)cc1 ZINC000602533495 1036497644 /nfs/dbraw/zinc/49/76/44/1036497644.db2.gz HQLLMJFLPRCPPT-KTAKPFMOSA-N 1 0 326.419 4.053 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000602572084 1036500503 /nfs/dbraw/zinc/50/05/03/1036500503.db2.gz TUFFEWKJKVDUJW-DLBZAZTESA-N 1 0 342.508 4.310 20 30 EIEDRO N#CC1CCC([NH2+]CCOCc2ccc(Cl)cc2Cl)CC1 ZINC000602581376 1036510772 /nfs/dbraw/zinc/51/07/72/1036510772.db2.gz IZZOEBKAAKEEAN-UHFFFAOYSA-N 1 0 327.255 4.182 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cc(F)cc(Br)c1 ZINC000602622437 1036523503 /nfs/dbraw/zinc/52/35/03/1036523503.db2.gz UPAKMTSEMOFZTE-MRXNPFEDSA-N 1 0 348.219 4.096 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000572490433 1036525457 /nfs/dbraw/zinc/52/54/57/1036525457.db2.gz ARAZCGPSSBQSOF-INIZCTEOSA-N 1 0 335.289 4.226 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000602642470 1036533155 /nfs/dbraw/zinc/53/31/55/1036533155.db2.gz YCUKZVAUHDBRKD-ZWNOBZJWSA-N 1 0 325.275 4.125 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](C)CC(F)(F)F)ccc1OC ZINC000414534045 1036540190 /nfs/dbraw/zinc/54/01/90/1036540190.db2.gz VZUBSKIKKALESY-ZDUSSCGKSA-N 1 0 331.378 4.328 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000602676211 1036552920 /nfs/dbraw/zinc/55/29/20/1036552920.db2.gz MIMPDNBJPMERQF-JYJNAYRXSA-N 1 0 332.875 4.275 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Br)cc1F ZINC000602654967 1036553157 /nfs/dbraw/zinc/55/31/57/1036553157.db2.gz MIRHMQXNIUQMEJ-XSRFYTQQSA-N 1 0 325.225 4.321 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1cc2ccccc2s1 ZINC000602677192 1036569797 /nfs/dbraw/zinc/56/97/97/1036569797.db2.gz WOBKQVNEDOTMFU-OAHLLOKOSA-N 1 0 328.481 4.132 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000602713410 1036587549 /nfs/dbraw/zinc/58/75/49/1036587549.db2.gz AAQRONPDDRRJCU-DYESRHJHSA-N 1 0 326.484 4.043 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000602723070 1036596584 /nfs/dbraw/zinc/59/65/84/1036596584.db2.gz LLVFVSVQICGWGY-ZDUSSCGKSA-N 1 0 332.831 4.275 20 30 EIEDRO CN(C)C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000602724615 1036597190 /nfs/dbraw/zinc/59/71/90/1036597190.db2.gz IOIOGNVGCPQMDX-MKTAYPAQSA-N 1 0 340.298 4.268 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000602781082 1036620304 /nfs/dbraw/zinc/62/03/04/1036620304.db2.gz GZGQICQEAYDLPB-VXKWHMMOSA-N 1 0 332.447 4.031 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000588957444 1036621963 /nfs/dbraw/zinc/62/19/63/1036621963.db2.gz HKDICNOALMQXMJ-BDROVNNXSA-N 1 0 347.462 4.481 20 30 EIEDRO CC1=Nc2ccccc2C12CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC000602866039 1036659706 /nfs/dbraw/zinc/65/97/06/1036659706.db2.gz SDHCUIDUFFJAPL-UHFFFAOYSA-N 1 0 329.447 4.241 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889955 1036663165 /nfs/dbraw/zinc/66/31/65/1036663165.db2.gz XNXZZIBVLNLHNY-DNVCBOLYSA-N 1 0 328.419 4.052 20 30 EIEDRO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911007 1036664351 /nfs/dbraw/zinc/66/43/51/1036664351.db2.gz UWBDGEQRQNUAEY-ZDUSSCGKSA-N 1 0 327.378 4.172 20 30 EIEDRO Cc1ccc(C#N)nc1NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000589107501 1036668072 /nfs/dbraw/zinc/66/80/72/1036668072.db2.gz CKPZFWYRYGUTBE-QGZVFWFLSA-N 1 0 334.467 4.248 20 30 EIEDRO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586618 1036705961 /nfs/dbraw/zinc/70/59/61/1036705961.db2.gz JESUHADQQXTBIC-DGCLKSJQSA-N 1 0 329.271 4.287 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000598592005 1036708325 /nfs/dbraw/zinc/70/83/25/1036708325.db2.gz DOCFSPWYHSZMSV-SFTDATJTSA-N 1 0 334.463 4.087 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598613402 1036715385 /nfs/dbraw/zinc/71/53/85/1036715385.db2.gz XDFSMXYKOISBBK-CJNGLKHVSA-N 1 0 343.496 4.070 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)ccc1OC(F)F ZINC000192950388 1036719893 /nfs/dbraw/zinc/71/98/93/1036719893.db2.gz YZTUOUMKIAAEMS-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO CN1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccccc1 ZINC000589267982 1036726423 /nfs/dbraw/zinc/72/64/23/1036726423.db2.gz VXKJZKHIGUIENH-LEWJYISDSA-N 1 0 333.479 4.023 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)cc(Br)c1)CC2 ZINC000589337927 1036737386 /nfs/dbraw/zinc/73/73/86/1036737386.db2.gz IHDYRFHGFMIZMY-QGZVFWFLSA-N 1 0 345.215 4.237 20 30 EIEDRO CO[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000589341432 1036739133 /nfs/dbraw/zinc/73/91/33/1036739133.db2.gz FXCGEGNTPSUUOP-OALUTQOASA-N 1 0 326.827 4.176 20 30 EIEDRO COc1cccc(C2(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)CC2)c1 ZINC000589344738 1036743255 /nfs/dbraw/zinc/74/32/55/1036743255.db2.gz WKOOOMLBLVJPEX-OAQYLSRUSA-N 1 0 332.447 4.266 20 30 EIEDRO CC(=O)N1CC[C@H]([NH2+][C@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000598678235 1036743839 /nfs/dbraw/zinc/74/38/39/1036743839.db2.gz OZEWMAKTGKKIAB-UXHICEINSA-N 1 0 333.435 4.119 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000589317377 1036744553 /nfs/dbraw/zinc/74/45/53/1036744553.db2.gz DSFQGDFQBGHUAQ-KRWDZBQOSA-N 1 0 332.325 4.060 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1(c2cccc(Cl)c2)CCCC1 ZINC000598701785 1036749475 /nfs/dbraw/zinc/74/94/75/1036749475.db2.gz YVDUMTXRLPEXFA-QGZVFWFLSA-N 1 0 334.891 4.042 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000589347298 1036758297 /nfs/dbraw/zinc/75/82/97/1036758297.db2.gz XVJKYQNSHINYAD-HJNYFJLDSA-N 1 0 332.447 4.446 20 30 EIEDRO C[C@@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598718525 1036760800 /nfs/dbraw/zinc/76/08/00/1036760800.db2.gz FZINVQYVIWKXLK-XJKSGUPXSA-N 1 0 342.405 4.089 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589513082 1036820871 /nfs/dbraw/zinc/82/08/71/1036820871.db2.gz WDUXWWJPZYFIHR-SFHVURJKSA-N 1 0 341.336 4.226 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)s1 ZINC000421882604 1036833537 /nfs/dbraw/zinc/83/35/37/1036833537.db2.gz PXDLZCLPLFPGPP-OAHLLOKOSA-N 1 0 337.370 4.201 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000598973251 1036837683 /nfs/dbraw/zinc/83/76/83/1036837683.db2.gz APCBURIWVCTSFD-UHFFFAOYSA-N 1 0 331.204 4.147 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1OC1CC1 ZINC000598979852 1036838819 /nfs/dbraw/zinc/83/88/19/1036838819.db2.gz QOBFQRKTOKKLHP-UHFFFAOYSA-N 1 0 342.826 4.051 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(Br)cc32)s1 ZINC000421872485 1036841237 /nfs/dbraw/zinc/84/12/37/1036841237.db2.gz GUNKUNODYMPXJR-HNNXBMFYSA-N 1 0 333.254 4.159 20 30 EIEDRO CC(C)(C#N)c1ccccc1CN1CCc2c(F)ccc(F)c2C1 ZINC000486776212 1036849097 /nfs/dbraw/zinc/84/90/97/1036849097.db2.gz PHUHEOUKTPWDGC-UHFFFAOYSA-N 1 0 326.390 4.324 20 30 EIEDRO C=CCSCC[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000599033806 1036850768 /nfs/dbraw/zinc/85/07/68/1036850768.db2.gz DLONPRVDWGNZAT-JTQLQIEISA-N 1 0 338.826 4.194 20 30 EIEDRO C=CCOc1ccc(CNCCC[NH+]2CCC(C)CC2)cc1Cl ZINC000589636634 1036855420 /nfs/dbraw/zinc/85/54/20/1036855420.db2.gz LFTVROPSJSUVGT-UHFFFAOYSA-N 1 0 336.907 4.116 20 30 EIEDRO C=CCOc1ccc(CNC2CC[NH+](C3CCC3)CC2)cc1Cl ZINC000589647721 1036860661 /nfs/dbraw/zinc/86/06/61/1036860661.db2.gz LIALUJRRCRBDJB-UHFFFAOYSA-N 1 0 334.891 4.011 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2OCCc3ccccc32)cc1Cl ZINC000603516706 1036873267 /nfs/dbraw/zinc/87/32/67/1036873267.db2.gz YIEHPZAFGFTEAR-HXUWFJFHSA-N 1 0 343.854 4.308 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000599093981 1036877134 /nfs/dbraw/zinc/87/71/34/1036877134.db2.gz XFQDXXDRJMWZOX-AQFXKWCLSA-N 1 0 341.282 4.479 20 30 EIEDRO C[C@@H](CCC(C)(C)C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695632 1036900873 /nfs/dbraw/zinc/90/08/73/1036900873.db2.gz TUENZCRGFWFZLC-KRWDZBQOSA-N 1 0 327.516 4.327 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@@H](C)c1ccccc1 ZINC000593702343 1036907601 /nfs/dbraw/zinc/90/76/01/1036907601.db2.gz LSWHCEIOIDXESL-MOPGFXCFSA-N 1 0 347.506 4.304 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)c(F)c1 ZINC000589945445 1036911965 /nfs/dbraw/zinc/91/19/65/1036911965.db2.gz FHNJRPICEAMKIK-QRWLVFNGSA-N 1 0 342.389 4.094 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@H](c3ccccc3)C3CC3)CC2)c1 ZINC000593721897 1036937271 /nfs/dbraw/zinc/93/72/71/1036937271.db2.gz NBEALVJFXSAYBU-HSZRJFAPSA-N 1 0 345.490 4.264 20 30 EIEDRO Cc1cccc2c1CC[C@@H]2[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593723347 1036939028 /nfs/dbraw/zinc/93/90/28/1036939028.db2.gz UQFSQHCGGPKPNS-QHCPKHFHSA-N 1 0 345.490 4.108 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@H]3CCCF)CC2)c1 ZINC000593725448 1036940968 /nfs/dbraw/zinc/94/09/68/1036940968.db2.gz LQYTZRHGHUXUDL-FPOVZHCZSA-N 1 0 343.490 4.031 20 30 EIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593723806 1036946074 /nfs/dbraw/zinc/94/60/74/1036946074.db2.gz ZSJDXAMDZOHIQC-CTNGQTDRSA-N 1 0 325.500 4.081 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1C#N ZINC000599344694 1036957524 /nfs/dbraw/zinc/95/75/24/1036957524.db2.gz ILKSSZKPILKECD-NRFANRHFSA-N 1 0 336.435 4.125 20 30 EIEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000599351223 1036965625 /nfs/dbraw/zinc/96/56/25/1036965625.db2.gz ZLJKZLYQOJAGCA-RTWAWAEBSA-N 1 0 334.463 4.005 20 30 EIEDRO COC(=O)CCCC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000599357378 1036977947 /nfs/dbraw/zinc/97/79/47/1036977947.db2.gz PXKHXBMMPKPKIM-MRXNPFEDSA-N 1 0 336.435 4.219 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 ZINC000057395843 1037043121 /nfs/dbraw/zinc/04/31/21/1037043121.db2.gz JMIBFEUKFNNLOU-KRWDZBQOSA-N 1 0 339.483 4.474 20 30 EIEDRO Cc1csc(C2(N[C@@H](C)c3ccc(OCC#N)cc3)CCC2)n1 ZINC000271929396 1037053969 /nfs/dbraw/zinc/05/39/69/1037053969.db2.gz CZXNLQWRSMUPFT-AWEZNQCLSA-N 1 0 327.453 4.084 20 30 EIEDRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000599653301 1037118264 /nfs/dbraw/zinc/11/82/64/1037118264.db2.gz TUSIXQOEKZTQCE-LNCBFAARSA-N 1 0 333.273 4.319 20 30 EIEDRO Cc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c2ccccc2n1 ZINC000599679462 1037130840 /nfs/dbraw/zinc/13/08/40/1037130840.db2.gz SQNHKYJSWCAOMK-UHFFFAOYSA-N 1 0 327.431 4.168 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000590749552 1037153503 /nfs/dbraw/zinc/15/35/03/1037153503.db2.gz CCDSGLOHJARGCI-GOSISDBHSA-N 1 0 348.368 4.099 20 30 EIEDRO [NH2+]=C(N[C@@H]1CCc2cc(F)ccc2C1)c1ccc(C(F)(F)F)cc1 ZINC001168400151 1037297236 /nfs/dbraw/zinc/29/72/36/1037297236.db2.gz IRMCRXCSUUJNID-MRXNPFEDSA-N 1 0 336.332 4.107 20 30 EIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488109876 1037363523 /nfs/dbraw/zinc/36/35/23/1037363523.db2.gz KWBKCIGJCQLTOI-HXUWFJFHSA-N 1 0 344.462 4.189 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncccc1C(F)(F)F ZINC000591357470 1037393538 /nfs/dbraw/zinc/39/35/38/1037393538.db2.gz BNNXTFVWPFQLNI-INIZCTEOSA-N 1 0 331.341 4.139 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521517 1037402397 /nfs/dbraw/zinc/40/23/97/1037402397.db2.gz OEWIEAYMBBLSJE-CTNGQTDRSA-N 1 0 338.426 4.297 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)cc1 ZINC000604770652 1037508458 /nfs/dbraw/zinc/50/84/58/1037508458.db2.gz AOQSDHFBRJIIRU-LJQANCHMSA-N 1 0 340.442 4.149 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000604772724 1037511802 /nfs/dbraw/zinc/51/18/02/1037511802.db2.gz SCBNPRBLQYRQLF-LJQANCHMSA-N 1 0 340.442 4.149 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)C1 ZINC000591640201 1037535174 /nfs/dbraw/zinc/53/51/74/1037535174.db2.gz SCPXSKKFDXTSKV-QUCCMNQESA-N 1 0 329.447 4.471 20 30 EIEDRO C=CCCCSc1nnc(CN2CCCCC2)n1-c1ccccc1 ZINC000605075864 1037652065 /nfs/dbraw/zinc/65/20/65/1037652065.db2.gz RUSWBQNQTPQVMT-UHFFFAOYSA-N 1 0 342.512 4.312 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503375646 1037728812 /nfs/dbraw/zinc/72/88/12/1037728812.db2.gz JAVOVQVUIXMFIW-YJYMSZOUSA-N 1 0 326.827 4.245 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(N3CC[N@@H+](C4CCC4)C[C@@H](C)C3)c2c1 ZINC000488757283 1037740307 /nfs/dbraw/zinc/74/03/07/1037740307.db2.gz YAKHDTLBMHBNLH-MRXNPFEDSA-N 1 0 348.494 4.034 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1Cl)C(C)C ZINC000503440825 1037763057 /nfs/dbraw/zinc/76/30/57/1037763057.db2.gz VOMAMGZENDSXJW-KRWDZBQOSA-N 1 0 335.879 4.160 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592160437 1037768425 /nfs/dbraw/zinc/76/84/25/1037768425.db2.gz TXJZODVHKSTCHW-OAHLLOKOSA-N 1 0 328.456 4.063 20 30 EIEDRO CC[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(CC#N)cc2)ccc1OC ZINC000592371177 1037778158 /nfs/dbraw/zinc/77/81/58/1037778158.db2.gz ZCUWXARVHQCYMK-MRXNPFEDSA-N 1 0 338.451 4.228 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=S)Nc1ccccc1CC)C(C)C ZINC000911613776 1037783028 /nfs/dbraw/zinc/78/30/28/1037783028.db2.gz FBOZROSBPQNRJD-IBGZPJMESA-N 1 0 345.556 4.234 20 30 EIEDRO N#CCCn1cc(C[NH2+]CC2CCC(F)CC2)c(-c2ccccc2)n1 ZINC000592377723 1037792878 /nfs/dbraw/zinc/79/28/78/1037792878.db2.gz YGRMFRAUUFKSCZ-UHFFFAOYSA-N 1 0 340.446 4.082 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000592390746 1037793121 /nfs/dbraw/zinc/79/31/21/1037793121.db2.gz RICZWUYEZNTJQM-ZWNOBZJWSA-N 1 0 327.653 4.274 20 30 EIEDRO N#CCCC1CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000592517230 1037823132 /nfs/dbraw/zinc/82/31/32/1037823132.db2.gz DFBDRNGHLYGXQX-UHFFFAOYSA-N 1 0 335.451 4.176 20 30 EIEDRO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCc2ccc(Cl)cc21 ZINC000593067437 1037900767 /nfs/dbraw/zinc/90/07/67/1037900767.db2.gz SQSPHPYIDJLKGP-INIZCTEOSA-N 1 0 346.902 4.402 20 30 EIEDRO CN1CCCc2cc(C[NH2+]Cc3cccc(OCCCC#N)c3)ccc21 ZINC000237130514 1037906895 /nfs/dbraw/zinc/90/68/95/1037906895.db2.gz XVMXNWCXQWGRGU-UHFFFAOYSA-N 1 0 349.478 4.041 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363605 1037912424 /nfs/dbraw/zinc/91/24/24/1037912424.db2.gz FZNQCAOZNJBXHH-AVRDEDQJSA-N 1 0 345.490 4.406 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@](C)(O)CCC(C)C)cc1Cl ZINC000607168367 1037981572 /nfs/dbraw/zinc/98/15/72/1037981572.db2.gz HVJDVICNJGFIOQ-SFHVURJKSA-N 1 0 325.880 4.182 20 30 EIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)cc1F ZINC000503914635 1038013527 /nfs/dbraw/zinc/01/35/27/1038013527.db2.gz TWHWGFXPHAXNMP-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO CC(C)(C)[NH+]=C(NCCc1cccs1)NCCc1ccc(F)cc1 ZINC000912507938 1038031798 /nfs/dbraw/zinc/03/17/98/1038031798.db2.gz HVUIMURZALYRBJ-UHFFFAOYSA-N 1 0 347.503 4.006 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489466726 1038063312 /nfs/dbraw/zinc/06/33/12/1038063312.db2.gz RWVXIGYPFPJFJG-NRFANRHFSA-N 1 0 340.511 4.019 20 30 EIEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000592497828 1038074696 /nfs/dbraw/zinc/07/46/96/1038074696.db2.gz ADZMCWXXNUJQES-INIZCTEOSA-N 1 0 348.450 4.443 20 30 EIEDRO N#CC1(C[NH2+]Cc2ccc(Br)c3cccnc23)CCCC1 ZINC000593653081 1038116098 /nfs/dbraw/zinc/11/60/98/1038116098.db2.gz BCTXAFMMAXZIFX-UHFFFAOYSA-N 1 0 344.256 4.171 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C#N)CCCC2)cc1 ZINC000593653156 1038119194 /nfs/dbraw/zinc/11/91/94/1038119194.db2.gz CVYFIFANUYHLMB-MRXNPFEDSA-N 1 0 327.472 4.201 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccccc21 ZINC000593692663 1038155362 /nfs/dbraw/zinc/15/53/62/1038155362.db2.gz YRANEJQHZKDSIW-OHQAAIJDSA-N 1 0 340.467 4.229 20 30 EIEDRO C=CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489679592 1038206745 /nfs/dbraw/zinc/20/67/45/1038206745.db2.gz MTWIIVNJYWCDRH-FCHUYYIVSA-N 1 0 348.490 4.079 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(OC(F)F)c1 ZINC000489843466 1038250366 /nfs/dbraw/zinc/25/03/66/1038250366.db2.gz MTOURVPCRQGRGI-OAHLLOKOSA-N 1 0 346.352 4.288 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc(C#N)cc1F ZINC000489905205 1038262817 /nfs/dbraw/zinc/26/28/17/1038262817.db2.gz HFLDNTKJIQVLNG-MRUHUIDDSA-N 1 0 337.442 4.011 20 30 EIEDRO COc1ccc(C[NH2+]C(c2ccccc2)c2ccccc2)cc1C#N ZINC000172688269 1038268497 /nfs/dbraw/zinc/26/84/97/1038268497.db2.gz PGFPWOPDUIGRJO-UHFFFAOYSA-N 1 0 328.415 4.446 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NCc1ccccc1C[NH+]1CCCC1 ZINC000912780911 1038303744 /nfs/dbraw/zinc/30/37/44/1038303744.db2.gz MAAHLAQLTJPYAS-HZHRSRAPSA-N 1 0 345.446 4.155 20 30 EIEDRO CC[C@H](C)c1ccc([C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594425242 1038341118 /nfs/dbraw/zinc/34/11/18/1038341118.db2.gz GPPDVAUYEFAFEX-VDGAXYAQSA-N 1 0 343.515 4.425 20 30 EIEDRO C[C@@H](O)C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594498988 1038345862 /nfs/dbraw/zinc/34/58/62/1038345862.db2.gz XNIVNOPMJQGXQL-XLIONFOSSA-N 1 0 336.479 4.132 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000594496816 1038347445 /nfs/dbraw/zinc/34/74/45/1038347445.db2.gz WNWUOHPTIMBBOP-XOBRGWDASA-N 1 0 334.419 4.073 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)CCO2 ZINC000594502199 1038347812 /nfs/dbraw/zinc/34/78/12/1038347812.db2.gz ZOVALBUGEQQRSY-IBGZPJMESA-N 1 0 336.435 4.110 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2ccn(-c3ccccc3)n2)cc1 ZINC000594502882 1038349189 /nfs/dbraw/zinc/34/91/89/1038349189.db2.gz SDOFAJAIQYYSAP-UHFFFAOYSA-N 1 0 344.462 4.006 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000594504561 1038352029 /nfs/dbraw/zinc/35/20/29/1038352029.db2.gz PISAJPMWOXXSBT-JLTOFOAXSA-N 1 0 334.419 4.073 20 30 EIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(-n2cccn2)cc1 ZINC000594517141 1038357806 /nfs/dbraw/zinc/35/78/06/1038357806.db2.gz VPNDPCIHLCWSHF-QGZVFWFLSA-N 1 0 342.446 4.474 20 30 EIEDRO Cc1cc(CC[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)on1 ZINC000504416918 1038361057 /nfs/dbraw/zinc/36/10/57/1038361057.db2.gz VYSJBCVRGRKLGD-UHFFFAOYSA-N 1 0 348.450 4.092 20 30 EIEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000594520036 1038361846 /nfs/dbraw/zinc/36/18/46/1038361846.db2.gz WWQSNGKTVARDHL-JQNAOMPZSA-N 1 0 326.484 4.326 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(C(F)(F)F)n2)cc1 ZINC000594521893 1038361885 /nfs/dbraw/zinc/36/18/85/1038361885.db2.gz WZAXAJJAZMIZCU-UHFFFAOYSA-N 1 0 333.357 4.191 20 30 EIEDRO COc1ccc(CC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000504464298 1038372308 /nfs/dbraw/zinc/37/23/08/1038372308.db2.gz HOQGQYMTXRDTCB-UHFFFAOYSA-N 1 0 338.426 4.161 20 30 EIEDRO CC(C)CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000063493211 1038394047 /nfs/dbraw/zinc/39/40/47/1038394047.db2.gz RVKPKLSPBUFNTN-UHFFFAOYSA-N 1 0 333.863 4.051 20 30 EIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594918543 1038427093 /nfs/dbraw/zinc/42/70/93/1038427093.db2.gz BSIKMGUSOGIFAX-FQEVSTJZSA-N 1 0 332.447 4.418 20 30 EIEDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594967892 1038474998 /nfs/dbraw/zinc/47/49/98/1038474998.db2.gz ITWJHGDRFZOBBU-UHFFFAOYSA-N 1 0 344.462 4.386 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000594976596 1038485660 /nfs/dbraw/zinc/48/56/60/1038485660.db2.gz PPMMZCKBWYZAHU-UHFFFAOYSA-N 1 0 342.395 4.070 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594933836 1038489974 /nfs/dbraw/zinc/48/99/74/1038489974.db2.gz CNHPJSIHUSAYKN-QRWLVFNGSA-N 1 0 338.426 4.247 20 30 EIEDRO COc1ccc(CC(C)(C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594936270 1038490272 /nfs/dbraw/zinc/49/02/72/1038490272.db2.gz AQTOHDYIKVWUCA-UHFFFAOYSA-N 1 0 334.463 4.361 20 30 EIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594940490 1038496695 /nfs/dbraw/zinc/49/66/95/1038496695.db2.gz ZDBSBGAUJMQONE-QFIPXVFZSA-N 1 0 348.490 4.369 20 30 EIEDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594950567 1038514329 /nfs/dbraw/zinc/51/43/29/1038514329.db2.gz NLZJDKDZALITOO-UHFFFAOYSA-N 1 0 342.483 4.089 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000594947072 1038517311 /nfs/dbraw/zinc/51/73/11/1038517311.db2.gz RULCOZJDLVPKCU-NHCUHLMSSA-N 1 0 332.447 4.252 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000594948212 1038524669 /nfs/dbraw/zinc/52/46/69/1038524669.db2.gz WZADWRZGWCZHME-UWJYYQICSA-N 1 0 333.479 4.023 20 30 EIEDRO COc1cccc(C2(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)CC2)c1 ZINC000594961236 1038533885 /nfs/dbraw/zinc/53/38/85/1038533885.db2.gz ZPNDWEAINNNXHY-UHFFFAOYSA-N 1 0 332.447 4.072 20 30 EIEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000424204414 1038740322 /nfs/dbraw/zinc/74/03/22/1038740322.db2.gz SQUZYUFRWMOHBD-UHFFFAOYSA-N 1 0 344.842 4.254 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000424296357 1038772640 /nfs/dbraw/zinc/77/26/40/1038772640.db2.gz OFDNLOPYWPXGOM-GUXCAODWSA-N 1 0 326.484 4.405 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1F ZINC000193003636 1038806075 /nfs/dbraw/zinc/80/60/75/1038806075.db2.gz CKCYAHHICQRONU-KBPBESRZSA-N 1 0 328.387 4.148 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424349135 1038817127 /nfs/dbraw/zinc/81/71/27/1038817127.db2.gz MXRPSBDDVCZUMJ-DAWZGUTISA-N 1 0 325.481 4.346 20 30 EIEDRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000462067528 1038882767 /nfs/dbraw/zinc/88/27/67/1038882767.db2.gz MJWHRYXGOKTCAA-UAGQMJEPSA-N 1 0 335.289 4.442 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000505010386 1038885953 /nfs/dbraw/zinc/88/59/53/1038885953.db2.gz GHDVLXKKKRTQKD-MOPGFXCFSA-N 1 0 341.499 4.284 20 30 EIEDRO COc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)cc1C#N ZINC000174325323 1038905208 /nfs/dbraw/zinc/90/52/08/1038905208.db2.gz RZDSAONLMUVPLB-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO CCC(CC)[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccs1 ZINC000539277965 1038907883 /nfs/dbraw/zinc/90/78/83/1038907883.db2.gz YIZAGTNVWSQPRJ-MRXNPFEDSA-N 1 0 347.509 4.387 20 30 EIEDRO Cc1cccc2c(CC[NH2+]Cc3ccc(N(C)CCC#N)cc3)c[nH]c21 ZINC000174446946 1038944830 /nfs/dbraw/zinc/94/48/30/1038944830.db2.gz CPDQIVKUPNTPQW-UHFFFAOYSA-N 1 0 346.478 4.159 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000539333581 1038981070 /nfs/dbraw/zinc/98/10/70/1038981070.db2.gz HQJUUZMCENNALF-NQIIRXRSSA-N 1 0 339.866 4.449 20 30 EIEDRO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000174565773 1038993706 /nfs/dbraw/zinc/99/37/06/1038993706.db2.gz GLCJTOIUJFCUKG-HNNXBMFYSA-N 1 0 341.430 4.035 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000539358983 1038994385 /nfs/dbraw/zinc/99/43/85/1038994385.db2.gz ATFVNHPSJDBBPQ-GOSISDBHSA-N 1 0 330.378 4.200 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000539359319 1038995074 /nfs/dbraw/zinc/99/50/74/1038995074.db2.gz KSRBOVDNLBDNST-MRXNPFEDSA-N 1 0 348.899 4.315 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Oc1cccc(Cl)c1 ZINC000174587764 1038999035 /nfs/dbraw/zinc/99/90/35/1038999035.db2.gz NCYHKFZMUQBTRN-LSDHHAIUSA-N 1 0 344.842 4.188 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000539388572 1039047216 /nfs/dbraw/zinc/04/72/16/1039047216.db2.gz OXTVKOPNMMHRJO-KRWDZBQOSA-N 1 0 331.504 4.025 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C)cc1N1CCOCC1)c1ccco1 ZINC000552057893 1039075909 /nfs/dbraw/zinc/07/59/09/1039075909.db2.gz LTUPHYAZNNYACY-IBGZPJMESA-N 1 0 340.467 4.222 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000424771994 1039079554 /nfs/dbraw/zinc/07/95/54/1039079554.db2.gz DMUQSGJHMSAFGB-HNNXBMFYSA-N 1 0 342.405 4.027 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)C1CC1 ZINC000120381840 1039091423 /nfs/dbraw/zinc/09/14/23/1039091423.db2.gz IAEFDANSFKYEMG-FQEVSTJZSA-N 1 0 335.451 4.168 20 30 EIEDRO COc1ccc(Oc2ccc(CC[NH2+]C[C@H](C#N)CCC#N)cc2)cc1 ZINC000555417411 1039182636 /nfs/dbraw/zinc/18/26/36/1039182636.db2.gz OMNLMOZFUGVIRQ-SFHVURJKSA-N 1 0 349.434 4.063 20 30 EIEDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665563 1039269552 /nfs/dbraw/zinc/26/95/52/1039269552.db2.gz YTIYFCAVHLNUES-HNAYVOBHSA-N 1 0 339.414 4.177 20 30 EIEDRO N#CCC[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000090665635 1039276771 /nfs/dbraw/zinc/27/67/71/1039276771.db2.gz SVVRHSVGSGYLFH-OAQYLSRUSA-N 1 0 325.500 4.418 20 30 EIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C[C@H](CC#N)c3ccccc3)ccc21 ZINC000456320978 1039280050 /nfs/dbraw/zinc/28/00/50/1039280050.db2.gz OIQQIRWTWCQYTI-UWJYYQICSA-N 1 0 347.462 4.262 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000121283405 1039346955 /nfs/dbraw/zinc/34/69/55/1039346955.db2.gz DEKWFRQSWUKSPN-GHTZIAJQSA-N 1 0 342.527 4.221 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c(C(F)(F)F)c1 ZINC000600214438 1039389120 /nfs/dbraw/zinc/38/91/20/1039389120.db2.gz QHZNARWRKCHAED-HNNXBMFYSA-N 1 0 346.352 4.272 20 30 EIEDRO N#CCCCOc1cccc(C[NH+]2CC(Cc3cccs3)C2)c1 ZINC000600215398 1039389280 /nfs/dbraw/zinc/38/92/80/1039389280.db2.gz JKSWWFCLCCVYAT-UHFFFAOYSA-N 1 0 326.465 4.105 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000192864307 1039477716 /nfs/dbraw/zinc/47/77/16/1039477716.db2.gz XNOJRPLMSFLNMM-HNNXBMFYSA-N 1 0 329.403 4.001 20 30 EIEDRO COC(=O)c1cccc(CN2CCCCC[C@@H]2c2ccco2)c1C#N ZINC000534473009 1039496658 /nfs/dbraw/zinc/49/66/58/1039496658.db2.gz WKABBPRXJVBRQY-GOSISDBHSA-N 1 0 338.407 4.055 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cnc([C@H]4CCCO4)s3)CCC2)cc1 ZINC000594521938 1039528238 /nfs/dbraw/zinc/52/82/38/1039528238.db2.gz VZFUNJBWEPVALG-QGZVFWFLSA-N 1 0 339.464 4.035 20 30 EIEDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000550832262 1039529519 /nfs/dbraw/zinc/52/95/19/1039529519.db2.gz CZBWNGVNPLLPBC-PXNSSMCTSA-N 1 0 335.451 4.428 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000478193903 1039532922 /nfs/dbraw/zinc/53/29/22/1039532922.db2.gz GYQCTNJRWKJSKK-HNNXBMFYSA-N 1 0 346.261 4.234 20 30 EIEDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000534530557 1039544107 /nfs/dbraw/zinc/54/41/07/1039544107.db2.gz FQMSXBHOFVUNJD-KRWDZBQOSA-N 1 0 331.341 4.176 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000092748335 1039583879 /nfs/dbraw/zinc/58/38/79/1039583879.db2.gz TUVVTUUWUFXYPR-CQSZACIVSA-N 1 0 346.496 4.056 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1OC ZINC000092788758 1039591316 /nfs/dbraw/zinc/59/13/16/1039591316.db2.gz VXSPQSVBBPBOAH-INIZCTEOSA-N 1 0 344.480 4.096 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccco1 ZINC000514091581 1039594965 /nfs/dbraw/zinc/59/49/65/1039594965.db2.gz ZRMBGDANQZGAOQ-IAGOWNOFSA-N 1 0 346.496 4.012 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cc1 ZINC000514092863 1039598294 /nfs/dbraw/zinc/59/82/94/1039598294.db2.gz GMHKADLJGDUNIX-IRFCIJBXSA-N 1 0 337.511 4.476 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](c2cccnc2)C2CC2)ccc1OC ZINC000534645634 1039624233 /nfs/dbraw/zinc/62/42/33/1039624233.db2.gz IVFWYPDXVRYZQC-NRFANRHFSA-N 1 0 338.451 4.286 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)ccc1OC ZINC000478283222 1039632339 /nfs/dbraw/zinc/63/23/39/1039632339.db2.gz VYNKECMARBPZDI-SFHVURJKSA-N 1 0 333.472 4.086 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1c(C)nc2ccccn21)c1ccc(F)c(F)c1 ZINC000481621555 1039637812 /nfs/dbraw/zinc/63/78/12/1039637812.db2.gz KGCDSZHNVFAIFJ-LJQANCHMSA-N 1 0 327.378 4.328 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(F)c(F)c1 ZINC000481634423 1039648682 /nfs/dbraw/zinc/64/86/82/1039648682.db2.gz ZFEXRRNOCLDOAX-IBGZPJMESA-N 1 0 328.362 4.122 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCc1nc2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000481626140 1039657047 /nfs/dbraw/zinc/65/70/47/1039657047.db2.gz LJIRUWDOTRZJKO-HXUWFJFHSA-N 1 0 341.405 4.301 20 30 EIEDRO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000093453489 1039701210 /nfs/dbraw/zinc/70/12/10/1039701210.db2.gz OIXICMBFIUNMHP-NRFANRHFSA-N 1 0 334.467 4.077 20 30 EIEDRO COC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000481676323 1039729746 /nfs/dbraw/zinc/72/97/46/1039729746.db2.gz ZVJXYQMSCOHILU-LEWJYISDSA-N 1 0 338.426 4.442 20 30 EIEDRO C[C@H](O)C[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000481678825 1039734735 /nfs/dbraw/zinc/73/47/35/1039734735.db2.gz QMHMNJGQAPJMRH-JWNTYJGQSA-N 1 0 348.490 4.470 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2c(F)cccc2F)ccc1OC ZINC000060948451 1039777718 /nfs/dbraw/zinc/77/77/18/1039777718.db2.gz LRNAVDKWJOXKJD-UHFFFAOYSA-N 1 0 347.405 4.261 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000514232917 1039787092 /nfs/dbraw/zinc/78/70/92/1039787092.db2.gz SEWYFEMTVMVLQM-SGTLLEGYSA-N 1 0 332.806 4.389 20 30 EIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000514232915 1039788702 /nfs/dbraw/zinc/78/87/02/1039788702.db2.gz SEWYFEMTVMVLQM-KPZWWZAWSA-N 1 0 332.806 4.389 20 30 EIEDRO CC[C@H](C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730773 1039793154 /nfs/dbraw/zinc/79/31/54/1039793154.db2.gz DHGGJDPMMCLOEY-QZTJIDSGSA-N 1 0 349.478 4.401 20 30 EIEDRO COc1cc(C[N@H+](CC#Cc2ccc(Cl)cc2)C2CC2)ccc1O ZINC000534865883 1039818509 /nfs/dbraw/zinc/81/85/09/1039818509.db2.gz XPNZBPXWAHSSSF-UHFFFAOYSA-N 1 0 341.838 4.070 20 30 EIEDRO CC1CCC([N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000096966474 1039856351 /nfs/dbraw/zinc/85/63/51/1039856351.db2.gz JMNVRTAONMTTPF-UHFFFAOYSA-N 1 0 337.467 4.248 20 30 EIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000434790940 1039870584 /nfs/dbraw/zinc/87/05/84/1039870584.db2.gz AEOJAHNPMBHEMG-UHFFFAOYSA-N 1 0 347.274 4.020 20 30 EIEDRO C=CCC1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000478707532 1039873131 /nfs/dbraw/zinc/87/31/31/1039873131.db2.gz XWIVQXMKMLTNLQ-SFHVURJKSA-N 1 0 340.511 4.424 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000442689441 1039878284 /nfs/dbraw/zinc/87/82/84/1039878284.db2.gz OSLOAZINJFWYKB-KXBFYZLASA-N 1 0 336.410 4.353 20 30 EIEDRO CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000434839933 1039880651 /nfs/dbraw/zinc/88/06/51/1039880651.db2.gz HJRZXMGQVXZQFE-GOSISDBHSA-N 1 0 339.439 4.180 20 30 EIEDRO CC1CC[NH+](CCc2cccc(NCc3cccc(C#N)c3)c2)CC1 ZINC000537680078 1039897230 /nfs/dbraw/zinc/89/72/30/1039897230.db2.gz CQKQDUNGRLLLQT-UHFFFAOYSA-N 1 0 333.479 4.445 20 30 EIEDRO C=CCOc1ccccc1CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551050068 1039915286 /nfs/dbraw/zinc/91/52/86/1039915286.db2.gz DGPFSUUOJHTRCP-LEWJYISDSA-N 1 0 336.479 4.177 20 30 EIEDRO C=C(C)COc1cc(C[N@H+](Cc2ccccn2)C(C)C)ccc1OC ZINC000535082864 1039920427 /nfs/dbraw/zinc/92/04/27/1039920427.db2.gz SCEVSHASUMQTMA-UHFFFAOYSA-N 1 0 340.467 4.456 20 30 EIEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2c(Cl)cccc2C#N)CC1 ZINC000425243984 1039926032 /nfs/dbraw/zinc/92/60/32/1039926032.db2.gz UVKLPOHXMXHVDO-CQSZACIVSA-N 1 0 340.858 4.244 20 30 EIEDRO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCCC1 ZINC000514492132 1039942407 /nfs/dbraw/zinc/94/24/07/1039942407.db2.gz DVRKSXYVZNXMNV-UHFFFAOYSA-N 1 0 347.890 4.241 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccnc4ccccc34)CC2)c1 ZINC000535080622 1039953889 /nfs/dbraw/zinc/95/38/89/1039953889.db2.gz BZTCWJTULPKANN-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+](C)Cc2ccccc2OC)ccc1OC ZINC000505586806 1039982952 /nfs/dbraw/zinc/98/29/52/1039982952.db2.gz WDIHQYFJLUGHSK-UHFFFAOYSA-N 1 0 341.451 4.291 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c(F)c1 ZINC000729855379 1039995641 /nfs/dbraw/zinc/99/56/41/1039995641.db2.gz VAMXSKIFKCJGRF-UHFFFAOYSA-N 1 0 332.378 4.360 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000476986033 1040096898 /nfs/dbraw/zinc/09/68/98/1040096898.db2.gz QJNXHVUDRBRMIZ-QGZVFWFLSA-N 1 0 343.490 4.174 20 30 EIEDRO CCOCC(C)(C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000514743347 1040184233 /nfs/dbraw/zinc/18/42/33/1040184233.db2.gz COTOXRFEBYCIRR-UHFFFAOYSA-N 1 0 338.451 4.042 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)cc(OC)c1O ZINC000482512686 1040315582 /nfs/dbraw/zinc/31/55/82/1040315582.db2.gz WCAMXAJQZQKVNH-IUODEOHRSA-N 1 0 343.389 4.292 20 30 EIEDRO CCC(CC)c1cc[n+]([C@@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000160082456 1040343692 /nfs/dbraw/zinc/34/36/92/1040343692.db2.gz CXUYRWIKUBLBOW-HXUWFJFHSA-N 1 0 341.450 4.385 20 30 EIEDRO C=CCOc1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425372341 1040365342 /nfs/dbraw/zinc/36/53/42/1040365342.db2.gz NLRDTASBMFLQCU-FQEVSTJZSA-N 1 0 327.468 4.033 20 30 EIEDRO N#CC1(c2ccc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)cc2)CC1 ZINC000667492812 1040374001 /nfs/dbraw/zinc/37/40/01/1040374001.db2.gz XQPKYZSIKXQWRC-UHFFFAOYSA-N 1 0 344.458 4.337 20 30 EIEDRO C=CC[C@@H](C)C(=O)N[C@@]12CC[C@@]([NH2+]CCCC(F)(F)F)(C1)CCC2 ZINC001269959176 1040376634 /nfs/dbraw/zinc/37/66/34/1040376634.db2.gz BPSCMIBYWQFFIM-OIISXLGYSA-N 1 0 346.437 4.092 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482628601 1040394273 /nfs/dbraw/zinc/39/42/73/1040394273.db2.gz LCPYIOJWDHLOIK-AZUAARDMSA-N 1 0 346.490 4.101 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)ccc1OC(C)C ZINC000539413898 1040427080 /nfs/dbraw/zinc/42/70/80/1040427080.db2.gz FNHMKCTVNYSMOV-CYBMUJFWSA-N 1 0 330.453 4.266 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000553709295 1040444228 /nfs/dbraw/zinc/44/42/28/1040444228.db2.gz CMUHZDKLPCFKIC-POZUXBRTSA-N 1 0 349.906 4.070 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539494938 1040470576 /nfs/dbraw/zinc/47/05/76/1040470576.db2.gz VYINLTGFGPZGDD-WIYYLYMNSA-N 1 0 339.527 4.329 20 30 EIEDRO C[C@@H]1CCCC[C@H]1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539494936 1040471216 /nfs/dbraw/zinc/47/12/16/1040471216.db2.gz VYINLTGFGPZGDD-NQIIRXRSSA-N 1 0 339.527 4.329 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000539495072 1040471518 /nfs/dbraw/zinc/47/15/18/1040471518.db2.gz CQQIAZPYMVVXLK-AUUYWEPGSA-N 1 0 327.859 4.165 20 30 EIEDRO Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)c3ccc(C#N)cc3)cc2)n1 ZINC000539498970 1040491874 /nfs/dbraw/zinc/49/18/74/1040491874.db2.gz ZFVNTUYNOLOQQR-SFHVURJKSA-N 1 0 344.462 4.254 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000174653606 1040495940 /nfs/dbraw/zinc/49/59/40/1040495940.db2.gz AFSIKLPIDCZMAJ-KGLIPLIRSA-N 1 0 330.378 4.149 20 30 EIEDRO C=CCN(CCc1ccco1)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000491260699 1040509146 /nfs/dbraw/zinc/50/91/46/1040509146.db2.gz RBLFIXFMGGUDKS-UHFFFAOYSA-N 1 0 338.407 4.174 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OCC)cc1C ZINC000668146046 1040526845 /nfs/dbraw/zinc/52/68/45/1040526845.db2.gz YVIACYQVZOLPFQ-UHFFFAOYSA-N 1 0 329.440 4.057 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000435674376 1040536874 /nfs/dbraw/zinc/53/68/74/1040536874.db2.gz YQICKYTUDMYAAE-BJJXKVORSA-N 1 0 329.362 4.217 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000435750707 1040583782 /nfs/dbraw/zinc/58/37/82/1040583782.db2.gz OLXLWPZBOWZDRY-LXZKKBNFSA-N 1 0 338.289 4.123 20 30 EIEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC(C)(C)C#N ZINC000539588239 1040591482 /nfs/dbraw/zinc/59/14/82/1040591482.db2.gz JRBLVHYRAUTEQN-UHFFFAOYSA-N 1 0 328.435 4.020 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000435745499 1040598543 /nfs/dbraw/zinc/59/85/43/1040598543.db2.gz NHESQYAMOGTVCM-WFASDCNBSA-N 1 0 344.680 4.173 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000435746032 1040599122 /nfs/dbraw/zinc/59/91/22/1040599122.db2.gz SPNUWHKJUZKLFJ-PBHICJAKSA-N 1 0 332.444 4.020 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000435763254 1040602618 /nfs/dbraw/zinc/60/26/18/1040602618.db2.gz QIUJWBFPPFEPBD-UXHICEINSA-N 1 0 343.515 4.210 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)c(F)c1 ZINC000539608689 1040605292 /nfs/dbraw/zinc/60/52/92/1040605292.db2.gz ZDRGXNZDHHYHDF-RDTXWAMCSA-N 1 0 341.405 4.156 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000435757796 1040613076 /nfs/dbraw/zinc/61/30/76/1040613076.db2.gz CFHNOHMNZCQEMF-SXLOBPIMSA-N 1 0 343.515 4.208 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000515313312 1040660773 /nfs/dbraw/zinc/66/07/73/1040660773.db2.gz TXCPISMRDSSAHQ-KRWDZBQOSA-N 1 0 337.398 4.194 20 30 EIEDRO COc1ccc(CN(C)Cc2ccccc2F)cc1OCCCC#N ZINC000160731117 1040697113 /nfs/dbraw/zinc/69/71/13/1040697113.db2.gz YEOKATLJWGTBIW-UHFFFAOYSA-N 1 0 342.414 4.149 20 30 EIEDRO Cn1cc(C[N@H+](CCc2ccccc2)Cc2ccccc2)cc1C#N ZINC000483163689 1040751462 /nfs/dbraw/zinc/75/14/62/1040751462.db2.gz ZPTVHHUPCFVZRN-UHFFFAOYSA-N 1 0 329.447 4.142 20 30 EIEDRO CC(C)[N@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(C(F)(F)F)c1 ZINC000483187201 1040762462 /nfs/dbraw/zinc/76/24/62/1040762462.db2.gz TXUISVOGPNIZGK-UHFFFAOYSA-N 1 0 335.373 4.326 20 30 EIEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000483293223 1040801659 /nfs/dbraw/zinc/80/16/59/1040801659.db2.gz IBVSEVPKTYFVJN-ACJLOTCBSA-N 1 0 347.384 4.499 20 30 EIEDRO Cn1cc(C[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1C#N ZINC000483304205 1040810304 /nfs/dbraw/zinc/81/03/04/1040810304.db2.gz BBFHTEGJODJNSF-UHFFFAOYSA-N 1 0 346.261 4.493 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)c1 ZINC000539877498 1040850929 /nfs/dbraw/zinc/85/09/29/1040850929.db2.gz FULWRNGYGUFFFB-UHFFFAOYSA-N 1 0 345.483 4.242 20 30 EIEDRO C=CCCC1(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)CC1 ZINC000483435782 1040859836 /nfs/dbraw/zinc/85/98/36/1040859836.db2.gz DCTHONVDPAWELX-UHFFFAOYSA-N 1 0 344.524 4.229 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(OC)cc2)cc1 ZINC000537868735 1040861106 /nfs/dbraw/zinc/86/11/06/1040861106.db2.gz NOBMDSRPMAIMPU-IIBYNOLFSA-N 1 0 341.451 4.126 20 30 EIEDRO COc1ccc2cc(C[N@H+](C)Cc3ccc(C#N)c(F)c3)ccc2c1 ZINC000483519798 1040883927 /nfs/dbraw/zinc/88/39/27/1040883927.db2.gz PAZBRQXHLAULOR-UHFFFAOYSA-N 1 0 334.394 4.491 20 30 EIEDRO C[C@@H](CCc1ccsc1)[NH2+]CCSCc1ccccc1C#N ZINC000462790335 1040940076 /nfs/dbraw/zinc/94/00/76/1040940076.db2.gz VAMYKDGALFVNJN-HNNXBMFYSA-N 1 0 330.522 4.464 20 30 EIEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)Oc1ccccc1 ZINC000537981215 1040953928 /nfs/dbraw/zinc/95/39/28/1040953928.db2.gz BAUMSJUOOPJEBI-HOHBBMLPSA-N 1 0 334.463 4.448 20 30 EIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN(CCC#N)Cc1ccco1 ZINC000505771213 1040961683 /nfs/dbraw/zinc/96/16/83/1040961683.db2.gz LGFZZIKKRYQFQW-UHFFFAOYSA-N 1 0 339.483 4.153 20 30 EIEDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000537988330 1040966740 /nfs/dbraw/zinc/96/67/40/1040966740.db2.gz UBKYPVBYKIGWBB-CYBMUJFWSA-N 1 0 343.496 4.350 20 30 EIEDRO COc1ccccc1C[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000537967770 1040968948 /nfs/dbraw/zinc/96/89/48/1040968948.db2.gz ZIYXPRKVWQYLJP-MRXNPFEDSA-N 1 0 340.492 4.021 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)ccc1OC ZINC000480123521 1040977533 /nfs/dbraw/zinc/97/75/33/1040977533.db2.gz KVSLJZKWIBTMBE-FXAWDEMLSA-N 1 0 347.499 4.333 20 30 EIEDRO C[N@H+](CCc1cccc(Br)c1)Cc1cc(C#N)cs1 ZINC000462830118 1040983308 /nfs/dbraw/zinc/98/33/08/1040983308.db2.gz UIWXKMBXDXOATO-UHFFFAOYSA-N 1 0 335.270 4.057 20 30 EIEDRO CC[C@H]([NH2+]C[C@](O)(CC)CCC(F)(F)F)c1cccc(C#N)c1 ZINC000903255933 1040992120 /nfs/dbraw/zinc/99/21/20/1040992120.db2.gz DQIHVZXSEAIBJY-HOTGVXAUSA-N 1 0 328.378 4.083 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000436289493 1041050853 /nfs/dbraw/zinc/05/08/53/1041050853.db2.gz XMQJFEIAEYPMTE-XPKDYRNWSA-N 1 0 329.362 4.217 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000436293874 1041059612 /nfs/dbraw/zinc/05/96/12/1041059612.db2.gz NIAAMVGOVDZMJX-TYPHKJRUSA-N 1 0 340.442 4.189 20 30 EIEDRO C[C@@H]1C[C@H](N(C)CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000483934922 1041069516 /nfs/dbraw/zinc/06/95/16/1041069516.db2.gz YUQFKEMVMBHNDM-NFBKMPQASA-N 1 0 332.491 4.023 20 30 EIEDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1ccc(C#N)c(F)c1 ZINC000483958743 1041073832 /nfs/dbraw/zinc/07/38/32/1041073832.db2.gz RPJAITANOQMXAP-UHFFFAOYSA-N 1 0 345.487 4.103 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000436306212 1041075138 /nfs/dbraw/zinc/07/51/38/1041075138.db2.gz HMMAOLYBDCXXSR-UNEWFSDZSA-N 1 0 327.390 4.207 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000436307442 1041076955 /nfs/dbraw/zinc/07/69/55/1041076955.db2.gz NOWULGQGIPHVCQ-GMBSWORKSA-N 1 0 329.440 4.463 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000436313840 1041082989 /nfs/dbraw/zinc/08/29/89/1041082989.db2.gz MGXYVYOZISPVAS-XKQJLSEDSA-N 1 0 341.373 4.143 20 30 EIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000484062613 1041111637 /nfs/dbraw/zinc/11/16/37/1041111637.db2.gz CVLVPXNZYZKVNV-HNNXBMFYSA-N 1 0 326.415 4.017 20 30 EIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1OC ZINC000484090681 1041117284 /nfs/dbraw/zinc/11/72/84/1041117284.db2.gz AZCALYPATLZXGK-CQSZACIVSA-N 1 0 342.414 4.346 20 30 EIEDRO CC[C@H](C)[C@H]([NH2+]CC(=O)N(CC)C[C@H](C)C#N)c1ccc(Cl)cc1 ZINC000538186957 1041145695 /nfs/dbraw/zinc/14/56/95/1041145695.db2.gz DJPQVVARSFDIIE-VCBZYWHSSA-N 1 0 349.906 4.025 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000538193806 1041159169 /nfs/dbraw/zinc/15/91/69/1041159169.db2.gz GOSFAKPCSWVBLC-ICSRJNTNSA-N 1 0 325.839 4.059 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000538239546 1041192136 /nfs/dbraw/zinc/19/21/36/1041192136.db2.gz YVHQRLLQUPAPCO-INIZCTEOSA-N 1 0 335.838 4.228 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000540173610 1041219740 /nfs/dbraw/zinc/21/97/40/1041219740.db2.gz GKUDJCJGBUJRDI-NWDGAFQWSA-N 1 0 342.277 4.157 20 30 EIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000540173609 1041219863 /nfs/dbraw/zinc/21/98/63/1041219863.db2.gz GKUDJCJGBUJRDI-NEPJUHHUSA-N 1 0 342.277 4.157 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000425543060 1041224439 /nfs/dbraw/zinc/22/44/39/1041224439.db2.gz ZAAHYYFTUGBXRI-AWEZNQCLSA-N 1 0 341.842 4.233 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3CC(=O)c3ccccc3)cc2)CC1 ZINC000667670249 1041273530 /nfs/dbraw/zinc/27/35/30/1041273530.db2.gz IIECTKMUGOSSLU-OAQYLSRUSA-N 1 0 344.458 4.479 20 30 EIEDRO C=C(CC)C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000540238348 1041314886 /nfs/dbraw/zinc/31/48/86/1041314886.db2.gz LRBURTRYGYJVQL-UHFFFAOYSA-N 1 0 327.299 4.120 20 30 EIEDRO CCCC1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000538397035 1041316585 /nfs/dbraw/zinc/31/65/85/1041316585.db2.gz MZCWZSRBCCFIFD-UHFFFAOYSA-N 1 0 339.527 4.471 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000538407444 1041325009 /nfs/dbraw/zinc/32/50/09/1041325009.db2.gz BEDUGYRRSCMFAP-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)c1 ZINC000540333686 1041379299 /nfs/dbraw/zinc/37/92/99/1041379299.db2.gz VTUGKAWRQBSQII-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)cc1 ZINC000538487440 1041383313 /nfs/dbraw/zinc/38/33/13/1041383313.db2.gz HLKFZYRSBIIXKT-FOIQADDNSA-N 1 0 329.415 4.256 20 30 EIEDRO Cn1c2ccccc2cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1=O ZINC000516086756 1041385617 /nfs/dbraw/zinc/38/56/17/1041385617.db2.gz VOFAGMXCRCBBLG-FQEVSTJZSA-N 1 0 345.446 4.063 20 30 EIEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc(C#N)c(F)c1 ZINC000538507530 1041395798 /nfs/dbraw/zinc/39/57/98/1041395798.db2.gz MCQRROMGQYDVIW-GFCCVEGCSA-N 1 0 330.353 4.358 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000480564780 1041396160 /nfs/dbraw/zinc/39/61/60/1041396160.db2.gz RYEURBYQDDSFAY-HXUWFJFHSA-N 1 0 340.854 4.084 20 30 EIEDRO CCC(CC)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000540376794 1041412699 /nfs/dbraw/zinc/41/26/99/1041412699.db2.gz SAMUTXUNQJJOOQ-LJQANCHMSA-N 1 0 341.480 4.325 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000042123408 1041423798 /nfs/dbraw/zinc/42/37/98/1041423798.db2.gz IYXUPRDKXYEJQS-AWEZNQCLSA-N 1 0 330.497 4.166 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463211396 1041423912 /nfs/dbraw/zinc/42/39/12/1041423912.db2.gz PUBFPFVXHKMXFS-QRVBRYPASA-N 1 0 332.875 4.117 20 30 EIEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2C#N)C1 ZINC000463201566 1041428313 /nfs/dbraw/zinc/42/83/13/1041428313.db2.gz MACQGMYIZCHNAN-DPZWOIPNSA-N 1 0 346.902 4.363 20 30 EIEDRO CC1CCC(Oc2cc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)ccn2)CC1 ZINC000463235573 1041441758 /nfs/dbraw/zinc/44/17/58/1041441758.db2.gz GYXXXUFXPRGDFY-BDFRZKONSA-N 1 0 327.472 4.211 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2cc(Cl)ccc2Br)C1 ZINC000463235559 1041442378 /nfs/dbraw/zinc/44/23/78/1041442378.db2.gz XLNYETUULDNRSN-SMDDNHRTSA-N 1 0 341.680 4.317 20 30 EIEDRO CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463237183 1041444676 /nfs/dbraw/zinc/44/46/76/1041444676.db2.gz UAXJULMYLVWYOC-IMJJTQAJSA-N 1 0 335.289 4.442 20 30 EIEDRO COc1cc(CNCc2cc(C(F)(F)F)ccc2F)ccc1C#N ZINC000516217283 1041455452 /nfs/dbraw/zinc/45/54/52/1041455452.db2.gz GMNYEESYYLSFMJ-UHFFFAOYSA-N 1 0 338.304 4.015 20 30 EIEDRO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001270130089 1041491008 /nfs/dbraw/zinc/49/10/08/1041491008.db2.gz AIWBIVLLISUIFU-PKOBYXMFSA-N 1 0 328.500 4.006 20 30 EIEDRO COc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1Cl ZINC000540515673 1041511466 /nfs/dbraw/zinc/51/14/66/1041511466.db2.gz OOHMGLFLIJFVRA-UHFFFAOYSA-N 1 0 346.883 4.243 20 30 EIEDRO Cc1cc([C@@H]([NH2+]CCCC2(C#N)CCOCC2)C2CC2)ccc1F ZINC000282096907 1041533898 /nfs/dbraw/zinc/53/38/98/1041533898.db2.gz VSRFTNUSEWECHH-IBGZPJMESA-N 1 0 330.447 4.275 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(OCc2cccnc2)cc1 ZINC000540549877 1041535540 /nfs/dbraw/zinc/53/55/40/1041535540.db2.gz WEHAPQKWWHIFSQ-HNNXBMFYSA-N 1 0 349.459 4.445 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000540594692 1041550512 /nfs/dbraw/zinc/55/05/12/1041550512.db2.gz XQLVQBIZZXTSSM-CYBMUJFWSA-N 1 0 342.826 4.224 20 30 EIEDRO CC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCCCC1 ZINC000540655330 1041579383 /nfs/dbraw/zinc/57/93/83/1041579383.db2.gz QFYJGCURFFLWCX-UHFFFAOYSA-N 1 0 339.527 4.473 20 30 EIEDRO C=CCCC[C@H](C)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000540646122 1041585268 /nfs/dbraw/zinc/58/52/68/1041585268.db2.gz CIDYKAXEPVGVDB-ZDUSSCGKSA-N 1 0 330.453 4.373 20 30 EIEDRO C=CC[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000538955628 1041589935 /nfs/dbraw/zinc/58/99/35/1041589935.db2.gz SZLGWPMUZCQNPC-UHFFFAOYSA-N 1 0 336.435 4.458 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000540700926 1041603991 /nfs/dbraw/zinc/60/39/91/1041603991.db2.gz ARHNIEQIUUMWGU-DNVCBOLYSA-N 1 0 341.430 4.168 20 30 EIEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H](C)C1 ZINC000437091242 1041638440 /nfs/dbraw/zinc/63/84/40/1041638440.db2.gz QRLKFLBBCJKINO-ZBPHDNMCSA-N 1 0 327.472 4.058 20 30 EIEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H](C)C1 ZINC000437091237 1041638490 /nfs/dbraw/zinc/63/84/90/1041638490.db2.gz QRLKFLBBCJKINO-VRVMVEOCSA-N 1 0 327.472 4.058 20 30 EIEDRO COc1cnccc1[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000437087527 1041647369 /nfs/dbraw/zinc/64/73/69/1041647369.db2.gz ONMDEPUQFARGSQ-SRWJYRBRSA-N 1 0 335.451 4.145 20 30 EIEDRO COC[C@H](Cc1ccccc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507613333 1041733530 /nfs/dbraw/zinc/73/35/30/1041733530.db2.gz PZEJGJQJHUZKGU-KOENEWCDSA-N 1 0 348.490 4.238 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000506022482 1041745531 /nfs/dbraw/zinc/74/55/31/1041745531.db2.gz UVVQLEHIEBPYBG-UHFFFAOYSA-N 1 0 327.428 4.466 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCc2ccccc21 ZINC000437424405 1041797072 /nfs/dbraw/zinc/79/70/72/1041797072.db2.gz FLMGGQMPVMUOND-KRWDZBQOSA-N 1 0 328.362 4.279 20 30 EIEDRO C[C@@H](CNc1cccc(Cl)c1C#N)[N@@H+]1CCc2sccc2C1 ZINC000506052292 1041808026 /nfs/dbraw/zinc/80/80/26/1041808026.db2.gz SLRMANFJYZVMKO-LBPRGKRZSA-N 1 0 331.872 4.132 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000090107116 1041829371 /nfs/dbraw/zinc/82/93/71/1041829371.db2.gz IDOMAWXLKIAACA-HNNXBMFYSA-N 1 0 349.459 4.411 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]C2CC(c3cccc(Cl)c3)C2)cc1 ZINC000541207431 1041846916 /nfs/dbraw/zinc/84/69/16/1041846916.db2.gz BNZPXJCWDFZNFZ-UHFFFAOYSA-N 1 0 326.827 4.126 20 30 EIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000541322953 1041892926 /nfs/dbraw/zinc/89/29/26/1041892926.db2.gz XWHHRNJAXGNXJD-YWZLYKJASA-N 1 0 336.435 4.159 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(CC#N)cc1 ZINC000541348888 1041899454 /nfs/dbraw/zinc/89/94/54/1041899454.db2.gz IZAFIFIYJKSTAA-UHFFFAOYSA-N 1 0 345.446 4.472 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549996530 1041991431 /nfs/dbraw/zinc/99/14/31/1041991431.db2.gz IFUDRGZLVKUIAU-ARKSPBFVSA-N 1 0 349.881 4.285 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000464435946 1042004861 /nfs/dbraw/zinc/00/48/61/1042004861.db2.gz BFCGOQGNNXZMIC-QZTJIDSGSA-N 1 0 328.500 4.280 20 30 EIEDRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCCC#N ZINC000541569819 1042019678 /nfs/dbraw/zinc/01/96/78/1042019678.db2.gz AKZZRAJAUYEGOG-CYBMUJFWSA-N 1 0 347.256 4.263 20 30 EIEDRO CC(C)(C)OC(=O)CCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000595719392 1042035908 /nfs/dbraw/zinc/03/59/08/1042035908.db2.gz SNBUFIXBQPQDMJ-UHFFFAOYSA-N 1 0 346.446 4.031 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000541661463 1042060379 /nfs/dbraw/zinc/06/03/79/1042060379.db2.gz ZISKBOZYVQTEQB-YOEHRIQHSA-N 1 0 330.497 4.405 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)COc2ccc(F)cc2F)c1 ZINC000517534989 1042068432 /nfs/dbraw/zinc/06/84/32/1042068432.db2.gz RESQMALPLAHMHJ-CQSZACIVSA-N 1 0 333.378 4.087 20 30 EIEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000517558205 1042073119 /nfs/dbraw/zinc/07/31/19/1042073119.db2.gz GMLHORBZLQIRAL-RXVVDRJESA-N 1 0 333.435 4.012 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000438191010 1042083062 /nfs/dbraw/zinc/08/30/62/1042083062.db2.gz PDEOASBTZQQHSR-KRWDZBQOSA-N 1 0 338.476 4.181 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000464650490 1042098481 /nfs/dbraw/zinc/09/84/81/1042098481.db2.gz NJCQMWKZIMIYOJ-GOSISDBHSA-N 1 0 336.479 4.086 20 30 EIEDRO CC#CCCCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000464655362 1042107673 /nfs/dbraw/zinc/10/76/73/1042107673.db2.gz OFWMFYAWYNJWFW-UHFFFAOYSA-N 1 0 340.511 4.261 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@H](C(C)C)C2)cc1OCCCC#N ZINC000438344969 1042146644 /nfs/dbraw/zinc/14/66/44/1042146644.db2.gz CTYWWIVAFSKXMI-SFHVURJKSA-N 1 0 330.472 4.246 20 30 EIEDRO CC(C)C[N@H+](Cc1nc2cc(F)ccc2o1)Cc1ccc(C#N)cc1 ZINC000464865593 1042207374 /nfs/dbraw/zinc/20/73/74/1042207374.db2.gz IHIWQPSFOUIOHO-UHFFFAOYSA-N 1 0 337.398 4.497 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](C)Oc2ccccc2)ccc1OC ZINC000506286792 1042262742 /nfs/dbraw/zinc/26/27/42/1042262742.db2.gz XJEPSAUDWKBWMF-KRWDZBQOSA-N 1 0 341.451 4.207 20 30 EIEDRO CC(C)n1ccc(C[C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000542137420 1042299998 /nfs/dbraw/zinc/29/99/98/1042299998.db2.gz LOKAEYMIFCGQQY-OAHLLOKOSA-N 1 0 349.400 4.055 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC3(C2)CCCCC3)cc1Cl ZINC000518023270 1042310155 /nfs/dbraw/zinc/31/01/55/1042310155.db2.gz OQBJMWBZLOGZME-UHFFFAOYSA-N 1 0 345.874 4.196 20 30 EIEDRO CC(C)C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000438784949 1042346768 /nfs/dbraw/zinc/34/67/68/1042346768.db2.gz UOVFFOABELZWPI-FQEVSTJZSA-N 1 0 335.451 4.264 20 30 EIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000542247656 1042357933 /nfs/dbraw/zinc/35/79/33/1042357933.db2.gz FDOMYQLXFHOTMP-MGPUTAFESA-N 1 0 336.435 4.159 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000542256287 1042361262 /nfs/dbraw/zinc/36/12/62/1042361262.db2.gz WDYUZTIJZLXWQZ-LIRRHRJNSA-N 1 0 328.843 4.272 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)ccc1OC(C)C ZINC000542256655 1042361619 /nfs/dbraw/zinc/36/16/19/1042361619.db2.gz WJBZMEUMEJZJOI-INIZCTEOSA-N 1 0 338.451 4.399 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(-c2ccc(F)cc2)no1 ZINC000491342345 1042410181 /nfs/dbraw/zinc/41/01/81/1042410181.db2.gz JCIULLUQIHIQRX-UHFFFAOYSA-N 1 0 326.371 4.304 20 30 EIEDRO Cc1ccc2c(C[NH2+]C3(c4cccc(C#N)c4)CC3)cc(=O)oc2c1C ZINC000271819924 1042411077 /nfs/dbraw/zinc/41/10/77/1042411077.db2.gz SANVADVRFMJPNZ-UHFFFAOYSA-N 1 0 344.414 4.060 20 30 EIEDRO O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000439010471 1042459060 /nfs/dbraw/zinc/45/90/60/1042459060.db2.gz QOPSLHOIRRCOET-XUVXKRRUSA-N 1 0 331.887 4.097 20 30 EIEDRO O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000439010462 1042459094 /nfs/dbraw/zinc/45/90/94/1042459094.db2.gz QOPSLHOIRRCOET-HSALFYBXSA-N 1 0 331.887 4.097 20 30 EIEDRO C#C[C@@H](NC(=[NH2+])Nc1cc(F)ccc1F)c1ccc(Cl)cc1F ZINC000491821490 1042501811 /nfs/dbraw/zinc/50/18/11/1042501811.db2.gz WBJVKMYDAOEIJZ-CQSZACIVSA-N 1 0 337.732 4.068 20 30 EIEDRO C=CCSCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000439142602 1042517080 /nfs/dbraw/zinc/51/70/80/1042517080.db2.gz RCDZHRKGWGSRMR-ZDUSSCGKSA-N 1 0 332.332 4.471 20 30 EIEDRO COC(=O)CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000271939074 1042538497 /nfs/dbraw/zinc/53/84/97/1042538497.db2.gz LFEXHIJXOCJXCK-IFXJQAMLSA-N 1 0 340.398 4.042 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000492262117 1042591584 /nfs/dbraw/zinc/59/15/84/1042591584.db2.gz WTOKRUNCRVWLPL-IFXJQAMLSA-N 1 0 329.465 4.105 20 30 EIEDRO N#Cc1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000439433999 1042621674 /nfs/dbraw/zinc/62/16/74/1042621674.db2.gz ASKAPWXOLHRLSA-KRWDZBQOSA-N 1 0 340.810 4.277 20 30 EIEDRO CN(Cc1ccc(C#N)cc1Cl)Cc1ccccc1N1CCCC1 ZINC000439432804 1042622248 /nfs/dbraw/zinc/62/22/48/1042622248.db2.gz WEABCDPGKAREDR-UHFFFAOYSA-N 1 0 339.870 4.444 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000439440456 1042627247 /nfs/dbraw/zinc/62/72/47/1042627247.db2.gz QHMYTALLXVHVFJ-KRWDZBQOSA-N 1 0 329.787 4.361 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000439449370 1042634564 /nfs/dbraw/zinc/63/45/64/1042634564.db2.gz GPEWJIQOBJYASB-JQHSSLGASA-N 1 0 332.875 4.237 20 30 EIEDRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518817956 1042709437 /nfs/dbraw/zinc/70/94/37/1042709437.db2.gz PWHNOEMFJBQWFR-MJLBXUHQSA-N 1 0 349.453 4.359 20 30 EIEDRO C[N@H+](CCc1cccs1)Cc1cc(C#N)ccc1Br ZINC000492629359 1042711673 /nfs/dbraw/zinc/71/16/73/1042711673.db2.gz JZWJZLKHDVQYPU-UHFFFAOYSA-N 1 0 335.270 4.057 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000506659855 1042748096 /nfs/dbraw/zinc/74/80/96/1042748096.db2.gz GQBJEZKNAWAZGP-UHFFFAOYSA-N 1 0 345.446 4.417 20 30 EIEDRO C[C@@H]1C[C@H](Nc2cccc(OCCCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000311384582 1042858656 /nfs/dbraw/zinc/85/86/56/1042858656.db2.gz WGXXYCBVARLARB-NQIIRXRSSA-N 1 0 349.478 4.444 20 30 EIEDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237183620 1042877101 /nfs/dbraw/zinc/87/71/01/1042877101.db2.gz CYBIPXAHLGPVPV-HNNXBMFYSA-N 1 0 342.414 4.368 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000507787795 1042948851 /nfs/dbraw/zinc/94/88/51/1042948851.db2.gz UQBDOTZSKIQEHS-UHFFFAOYSA-N 1 0 326.827 4.255 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2csc3ccccc23)CC1 ZINC000493738284 1042954778 /nfs/dbraw/zinc/95/47/78/1042954778.db2.gz UQEXJDMLVVWZTK-UHFFFAOYSA-N 1 0 329.469 4.063 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1 ZINC000766032460 1043079397 /nfs/dbraw/zinc/07/93/97/1043079397.db2.gz VPZKGNRVHOKUFX-APWZRJJASA-N 1 0 345.870 4.072 20 30 EIEDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599544 1043118805 /nfs/dbraw/zinc/11/88/05/1043118805.db2.gz LVVNPXFEUPQXQO-CHWSQXEVSA-N 1 0 333.863 4.049 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)c1cccs1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000543504080 1043165463 /nfs/dbraw/zinc/16/54/63/1043165463.db2.gz GBDYKUZZTHAFKA-LLVKDONJSA-N 1 0 347.871 4.125 20 30 EIEDRO COCCCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000132625140 1043177038 /nfs/dbraw/zinc/17/70/38/1043177038.db2.gz SQPVOHGKWKMVQV-UHFFFAOYSA-N 1 0 326.415 4.126 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)C1 ZINC000185804129 1043221040 /nfs/dbraw/zinc/22/10/40/1043221040.db2.gz XZYLOZPAQXGIJO-PMACEKPBSA-N 1 0 344.462 4.257 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(Br)c3)CC2)cc1 ZINC000077447877 1043322477 /nfs/dbraw/zinc/32/24/77/1043322477.db2.gz BLWAGPKZWNEHRB-UHFFFAOYSA-N 1 0 327.225 4.100 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 ZINC000187371382 1043345977 /nfs/dbraw/zinc/34/59/77/1043345977.db2.gz GVDDYGLSCCZDMQ-LJQANCHMSA-N 1 0 331.362 4.143 20 30 EIEDRO CCCCC[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000728063521 1043347205 /nfs/dbraw/zinc/34/72/05/1043347205.db2.gz RASHXLVSQAOGHC-IBGZPJMESA-N 1 0 333.439 4.012 20 30 EIEDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499601362 1043389555 /nfs/dbraw/zinc/38/95/55/1043389555.db2.gz XAMJZRZDHASHLN-CVEARBPZSA-N 1 0 330.447 4.234 20 30 EIEDRO C=C1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000441893849 1043404395 /nfs/dbraw/zinc/40/43/95/1043404395.db2.gz DMEPUUQZUCYIJY-UHFFFAOYSA-N 1 0 344.256 4.058 20 30 EIEDRO N#CC1(CCC[N@H+]2CC=C(c3cccc(F)c3)CC2)CCOCC1 ZINC000366895090 1043450371 /nfs/dbraw/zinc/45/03/71/1043450371.db2.gz WKCDZZVRCXJBRG-UHFFFAOYSA-N 1 0 328.431 4.015 20 30 EIEDRO Cc1cccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000113331635 1043468187 /nfs/dbraw/zinc/46/81/87/1043468187.db2.gz ZLBDJSHHBBREAO-UHFFFAOYSA-N 1 0 344.462 4.105 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cnn1-c1ccc(F)cc1 ZINC000282328294 1043497881 /nfs/dbraw/zinc/49/78/81/1043497881.db2.gz OBLGOUSFQGSQRJ-ODIFPOPNSA-N 1 0 340.446 4.300 20 30 EIEDRO CCOc1cccc(/C=N/Cc2ccc(C[NH+](CC)CC)cc2)c1O ZINC000730547052 1043554829 /nfs/dbraw/zinc/55/48/29/1043554829.db2.gz LHKXDOAEOJNXRL-PXLXIMEGSA-N 1 0 340.467 4.252 20 30 EIEDRO N#CC1(CCC[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 ZINC000499639334 1043586494 /nfs/dbraw/zinc/58/64/94/1043586494.db2.gz AFAQUYNJXOKZIH-WOJBJXKFSA-N 1 0 326.484 4.403 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000494556879 1043590392 /nfs/dbraw/zinc/59/03/92/1043590392.db2.gz ZBXQLHMXXSNHHT-UONOGXRCSA-N 1 0 333.476 4.030 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000658039498 1043648502 /nfs/dbraw/zinc/64/85/02/1043648502.db2.gz ZKLMRLFYEABPHC-LJHODMEESA-N 1 0 341.451 4.099 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CCCC[NH+]1CCCC1 ZINC000731025898 1043678172 /nfs/dbraw/zinc/67/81/72/1043678172.db2.gz PXSPNUIVWZSGDZ-MRXNPFEDSA-N 1 0 345.512 4.143 20 30 EIEDRO CCC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000731211804 1043714866 /nfs/dbraw/zinc/71/48/66/1043714866.db2.gz BPADJUKTTYNCLO-OAQYLSRUSA-N 1 0 334.463 4.358 20 30 EIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731212016 1043715276 /nfs/dbraw/zinc/71/52/76/1043715276.db2.gz OAROYBZDQBEVGD-NRFANRHFSA-N 1 0 336.435 4.107 20 30 EIEDRO C[C@@H]1CC(NC2(C#N)CCCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168014079 1043730221 /nfs/dbraw/zinc/73/02/21/1043730221.db2.gz JMRKXXWYEXVNCF-QZTJIDSGSA-N 1 0 325.500 4.244 20 30 EIEDRO C[C@H](Cc1ccco1)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000731360480 1043741258 /nfs/dbraw/zinc/74/12/58/1043741258.db2.gz FWFYTDMAWCLTDA-QGZVFWFLSA-N 1 0 346.430 4.451 20 30 EIEDRO CCOc1cccc(/C=N\C[C@H]2CCC[N@@H+]2CC2CCCCC2)c1O ZINC000731488644 1043763840 /nfs/dbraw/zinc/76/38/40/1043763840.db2.gz OALGGXMQFUVFHM-HBEGMLAUSA-N 1 0 344.499 4.255 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000761638290 1043772019 /nfs/dbraw/zinc/77/20/19/1043772019.db2.gz UKDZFXLKOIKAJO-VAMGGRTRSA-N 1 0 325.500 4.485 20 30 EIEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000521496431 1043805045 /nfs/dbraw/zinc/80/50/45/1043805045.db2.gz LGSWTWBJFQWIJA-HXUWFJFHSA-N 1 0 349.434 4.163 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccccc2)n1 ZINC000731661457 1043810577 /nfs/dbraw/zinc/81/05/77/1043810577.db2.gz MYKZOGWEVYKAOW-UHFFFAOYSA-N 1 0 330.435 4.290 20 30 EIEDRO C#CCOc1ccccc1C[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000731667423 1043813546 /nfs/dbraw/zinc/81/35/46/1043813546.db2.gz ZQLVVPZEPORSQY-UHFFFAOYSA-N 1 0 341.476 4.061 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cnn1-c1ccc(F)cc1 ZINC000347691493 1043814230 /nfs/dbraw/zinc/81/42/30/1043814230.db2.gz ZXNRWNBCTMEUCS-OAHLLOKOSA-N 1 0 348.425 4.237 20 30 EIEDRO CCOc1ccc(Oc2cc(C[NH2+][C@H]3CC[C@@H](C#N)C3)ccn2)cc1 ZINC000442716489 1043822476 /nfs/dbraw/zinc/82/24/76/1043822476.db2.gz OCOMVUKRHYTVAA-WBVHZDCISA-N 1 0 337.423 4.054 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000442787806 1043839549 /nfs/dbraw/zinc/83/95/49/1043839549.db2.gz DPNWQTHHLUEFPO-MWLCHTKSSA-N 1 0 333.646 4.307 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)C1 ZINC000442827947 1043850955 /nfs/dbraw/zinc/85/09/55/1043850955.db2.gz QKYNQNKRCVZSIF-AYBZRNKSSA-N 1 0 325.843 4.301 20 30 EIEDRO CC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)Oc1ccccc1C(F)(F)F ZINC000442863360 1043867681 /nfs/dbraw/zinc/86/76/81/1043867681.db2.gz CNHAQUJEVWDLGZ-HZSPNIEDSA-N 1 0 326.362 4.145 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000442865104 1043867774 /nfs/dbraw/zinc/86/77/74/1043867774.db2.gz HNQPOJPQOARLLK-JRSKDTKFSA-N 1 0 347.300 4.226 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000442865712 1043868988 /nfs/dbraw/zinc/86/89/88/1043868988.db2.gz GFNGXPPSZGAUQF-NHYWBVRUSA-N 1 0 326.337 4.158 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442872653 1043871493 /nfs/dbraw/zinc/87/14/93/1043871493.db2.gz ILABUCCOXHWKBY-AOCRQIFASA-N 1 0 341.499 4.447 20 30 EIEDRO CCc1nc2ccccc2n1C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192144905 1043880895 /nfs/dbraw/zinc/88/08/95/1043880895.db2.gz NGVSNSOULVNVQI-UHFFFAOYSA-N 1 0 343.474 4.287 20 30 EIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)c(OC)c2)s1 ZINC000442884046 1043882178 /nfs/dbraw/zinc/88/21/78/1043882178.db2.gz JJRKTBKLZAVXEW-CYBMUJFWSA-N 1 0 329.469 4.087 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193098446 1044000073 /nfs/dbraw/zinc/00/00/73/1044000073.db2.gz OQXIBEAUHDZYRX-UHFFFAOYSA-N 1 0 326.421 4.258 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1Cl ZINC000732919417 1044034734 /nfs/dbraw/zinc/03/47/34/1044034734.db2.gz FNUGWDWQYIUAKT-CYBMUJFWSA-N 1 0 330.815 4.102 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CC2)cc1OC ZINC000521861933 1044035790 /nfs/dbraw/zinc/03/57/90/1044035790.db2.gz CQOMUDDPZNDBHT-UHFFFAOYSA-N 1 0 339.435 4.048 20 30 EIEDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)c1 ZINC000521862162 1044036861 /nfs/dbraw/zinc/03/68/61/1044036861.db2.gz QNIKDQOLQBKSIU-IBGZPJMESA-N 1 0 337.442 4.073 20 30 EIEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000658208130 1044044944 /nfs/dbraw/zinc/04/49/44/1044044944.db2.gz XXNWKZKQWLFVES-HNNXBMFYSA-N 1 0 329.440 4.100 20 30 EIEDRO C=C(CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000673341590 1044049268 /nfs/dbraw/zinc/04/92/68/1044049268.db2.gz CTCSBEHYXFQWRX-UHFFFAOYSA-N 1 0 348.490 4.118 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000522037024 1044179903 /nfs/dbraw/zinc/17/99/03/1044179903.db2.gz BOYALSQCZMHZSA-UHFFFAOYSA-N 1 0 346.352 4.432 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C/C=C\c2ccccc2)ccc1OC ZINC000733330174 1044195824 /nfs/dbraw/zinc/19/58/24/1044195824.db2.gz QWDSBDFCUNGAQI-JNLAIUADSA-N 1 0 336.435 4.179 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000390330050 1044214851 /nfs/dbraw/zinc/21/48/51/1044214851.db2.gz SFOHBAGULSFXOS-CYBMUJFWSA-N 1 0 325.378 4.253 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2COCc2ccccc2)o1 ZINC000174268360 1044243990 /nfs/dbraw/zinc/24/39/90/1044243990.db2.gz UQOCKOJIACRLKC-UHFFFAOYSA-N 1 0 332.403 4.158 20 30 EIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000733610514 1044267869 /nfs/dbraw/zinc/26/78/69/1044267869.db2.gz LBZPTUDTYCLQTL-UHFFFAOYSA-N 1 0 349.478 4.211 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc(C(F)F)c1)C(C)C ZINC000522170581 1044296295 /nfs/dbraw/zinc/29/62/95/1044296295.db2.gz MZNWSQSWZSYLTQ-KRWDZBQOSA-N 1 0 336.426 4.053 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N=Nc3nncc4ccccc43)CC2)C1 ZINC000733744993 1044296697 /nfs/dbraw/zinc/29/66/97/1044296697.db2.gz AHASWSKFQBQFMR-QAPCUYQASA-N 1 0 337.471 4.072 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(N=Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000733743378 1044297551 /nfs/dbraw/zinc/29/75/51/1044297551.db2.gz OYXLAAIVYZKNOZ-KBXCAEBGSA-N 1 0 330.432 4.037 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000733800986 1044312612 /nfs/dbraw/zinc/31/26/12/1044312612.db2.gz PXZPVGJRIIDAQN-INIZCTEOSA-N 1 0 346.377 4.259 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000543307768 1044318744 /nfs/dbraw/zinc/31/87/44/1044318744.db2.gz WZTWEIJWBYIFJP-KRWDZBQOSA-N 1 0 345.487 4.028 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474063362 1044331338 /nfs/dbraw/zinc/33/13/38/1044331338.db2.gz ZOZDFDLQWRTINW-FQEVSTJZSA-N 1 0 328.500 4.048 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](CC)c2cccc(OC)n2)c1 ZINC000925414054 1044346276 /nfs/dbraw/zinc/34/62/76/1044346276.db2.gz KXNCLANTQVPKKE-SJLPKXTDSA-N 1 0 339.439 4.012 20 30 EIEDRO Cc1ccccc1C[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000494841074 1044429778 /nfs/dbraw/zinc/42/97/78/1044429778.db2.gz YCCMFSFDNGWPOJ-MDMXATFFSA-N 1 0 349.478 4.173 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734096767 1044473475 /nfs/dbraw/zinc/47/34/75/1044473475.db2.gz RGVXVHPGNXWPQN-SPMKTWQFSA-N 1 0 345.446 4.024 20 30 EIEDRO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001168473402 1044476274 /nfs/dbraw/zinc/47/62/74/1044476274.db2.gz KNMQLKZOOABYII-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO CCC(CC)CN(CC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000734149361 1044496594 /nfs/dbraw/zinc/49/65/94/1044496594.db2.gz JEOWVLSTCXKJDA-HNNXBMFYSA-N 1 0 343.496 4.231 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000383867257 1044507594 /nfs/dbraw/zinc/50/75/94/1044507594.db2.gz WASWOLIAJJENML-ZDUSSCGKSA-N 1 0 329.241 4.214 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC000069629992 1044540177 /nfs/dbraw/zinc/54/01/77/1044540177.db2.gz VQUYBKIDTNZVFH-SFHVURJKSA-N 1 0 328.362 4.327 20 30 EIEDRO Cc1ccccc1-n1nccc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000474111015 1044553040 /nfs/dbraw/zinc/55/30/40/1044553040.db2.gz RPEJVEHUGYOJSQ-UHFFFAOYSA-N 1 0 342.446 4.217 20 30 EIEDRO C=CCCOCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000494967303 1044562700 /nfs/dbraw/zinc/56/27/00/1044562700.db2.gz HRICJDCJJCCCOA-FQEVSTJZSA-N 1 0 329.415 4.106 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[N@@H+](C)C1CCC(OC)CC1 ZINC000734475291 1044585196 /nfs/dbraw/zinc/58/51/96/1044585196.db2.gz MURCVQPAEIDNMK-UHFFFAOYSA-N 1 0 345.512 4.161 20 30 EIEDRO C[C@@H]1CC[NH2+][C@H](c2nc(-c3ccc(-c4ccc(C#N)cc4)cc3)no2)C1 ZINC001211881051 1044679022 /nfs/dbraw/zinc/67/90/22/1044679022.db2.gz VLAJSXIRVJXAKC-KUHUBIRLSA-N 1 0 344.418 4.336 20 30 EIEDRO C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000154212876 1044691434 /nfs/dbraw/zinc/69/14/34/1044691434.db2.gz ZWSBXOWQMLEQFK-NSHDSACASA-N 1 0 335.238 4.023 20 30 EIEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCc2ccccc21 ZINC000735306538 1044784911 /nfs/dbraw/zinc/78/49/11/1044784911.db2.gz PAMQDTQEWSSBHA-GOSISDBHSA-N 1 0 326.827 4.362 20 30 EIEDRO Cc1ccccc1OCC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735305761 1044788375 /nfs/dbraw/zinc/78/83/75/1044788375.db2.gz DNYNVKGTQHOJJT-UHFFFAOYSA-N 1 0 344.842 4.062 20 30 EIEDRO CCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCCO1 ZINC000735309418 1044797269 /nfs/dbraw/zinc/79/72/69/1044797269.db2.gz NHSWXZZWJOLSPU-KRWDZBQOSA-N 1 0 336.863 4.023 20 30 EIEDRO CCS[C@@H]1CCCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310758 1044797605 /nfs/dbraw/zinc/79/76/05/1044797605.db2.gz FCIAULMCMZZNJV-MRXNPFEDSA-N 1 0 338.904 4.350 20 30 EIEDRO CC(C)c1nc(C#N)c(N=NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)o1 ZINC000733901148 1044819024 /nfs/dbraw/zinc/81/90/24/1044819024.db2.gz DZXSRVSDTXMFLB-RHSMWYFYSA-N 1 0 343.475 4.112 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C)nc2ccccc12 ZINC000124144391 1044829833 /nfs/dbraw/zinc/82/98/33/1044829833.db2.gz RTJCVFOEOLYMNX-UHFFFAOYSA-N 1 0 345.446 4.064 20 30 EIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000495335149 1044886476 /nfs/dbraw/zinc/88/64/76/1044886476.db2.gz DHTWIACAERJZRM-GOEBONIOSA-N 1 0 347.503 4.420 20 30 EIEDRO C(#Cc1ccccc1)C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000429280966 1044887931 /nfs/dbraw/zinc/88/79/31/1044887931.db2.gz AHYFTNZRIPORCC-UHFFFAOYSA-N 1 0 326.443 4.178 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800176 1044893579 /nfs/dbraw/zinc/89/35/79/1044893579.db2.gz GTOHOMTYHXEBMS-KSFYIVLOSA-N 1 0 346.430 4.119 20 30 EIEDRO C=CCC[C@@H](C)[NH2+][C@H](CCC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000543603339 1044895173 /nfs/dbraw/zinc/89/51/73/1044895173.db2.gz VZABHWDESXOPBE-YLJYHZDGSA-N 1 0 343.515 4.338 20 30 EIEDRO N#Cc1cc(F)ccc1CN(CCc1ccccc1)Cc1cccnc1 ZINC000429294266 1044906654 /nfs/dbraw/zinc/90/66/54/1044906654.db2.gz QLFFDJCIXRSNSI-UHFFFAOYSA-N 1 0 345.421 4.337 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428974070 1044924817 /nfs/dbraw/zinc/92/48/17/1044924817.db2.gz HQTLDDQAEDIRIU-ORYQWCPZSA-N 1 0 338.426 4.138 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2CCC(C(C)(C)CC)CC2)CC1 ZINC000303349839 1044987303 /nfs/dbraw/zinc/98/73/03/1044987303.db2.gz QOODBCALERJIMC-UHFFFAOYSA-N 1 0 349.563 4.321 20 30 EIEDRO CC1CC[NH+](Cc2ccc(NCc3cc(C#N)cs3)cc2)CC1 ZINC000156078982 1045001920 /nfs/dbraw/zinc/00/19/20/1045001920.db2.gz WPLXHLIYAYZCLT-UHFFFAOYSA-N 1 0 325.481 4.464 20 30 EIEDRO CO[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000282539644 1045016259 /nfs/dbraw/zinc/01/62/59/1045016259.db2.gz ZPMVWHWXBOIBAX-KNQAVFIVSA-N 1 0 348.490 4.386 20 30 EIEDRO C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073767138 1045022885 /nfs/dbraw/zinc/02/28/85/1045022885.db2.gz FZXJFKCOYPELQR-MGPUTAFESA-N 1 0 334.423 4.027 20 30 EIEDRO C=CCC1([NH2+]C[C@H]2CCN(C(=O)c3ccccc3)C2)CCCCC1 ZINC000625934303 1045039854 /nfs/dbraw/zinc/03/98/54/1045039854.db2.gz IRVVTLXSRLUQNH-GOSISDBHSA-N 1 0 326.484 4.017 20 30 EIEDRO C=C(C)CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000509375126 1045058239 /nfs/dbraw/zinc/05/82/39/1045058239.db2.gz VFMWHYKDXPIFKP-UHFFFAOYSA-N 1 0 328.378 4.321 20 30 EIEDRO CCOc1ccc(/C=N/C[C@@H](c2ccsc2)[NH+](CC)CC)c(O)c1 ZINC000915114865 1045113727 /nfs/dbraw/zinc/11/37/27/1045113727.db2.gz RVRVSVYFPJYXMU-TYJAPOHBSA-N 1 0 346.496 4.354 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2cccc(Cl)c2)c(O)c1 ZINC000915115054 1045114112 /nfs/dbraw/zinc/11/41/12/1045114112.db2.gz UOGZLJQNVACBKK-CIPMJJFUSA-N 1 0 346.858 4.044 20 30 EIEDRO CC(C)C[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000542557617 1045123411 /nfs/dbraw/zinc/12/34/11/1045123411.db2.gz RSHXNNPCPCPCLX-CVEARBPZSA-N 1 0 347.528 4.156 20 30 EIEDRO CC(C)[N@H+](CCCSCC#N)Cc1cccc(Br)c1 ZINC000466740918 1045160689 /nfs/dbraw/zinc/16/06/89/1045160689.db2.gz JJDCZOWMKRFGCD-UHFFFAOYSA-N 1 0 341.318 4.306 20 30 EIEDRO N#CCSCCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000466742344 1045171287 /nfs/dbraw/zinc/17/12/87/1045171287.db2.gz XSBJXQRRQRCQAR-UHFFFAOYSA-N 1 0 328.456 4.475 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000027235941 1045171811 /nfs/dbraw/zinc/17/18/11/1045171811.db2.gz RWFXMNVQGNIHAK-UHFFFAOYSA-N 1 0 334.419 4.232 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccc4[nH]cnc4c3)c2)s1 ZINC000740012187 1045180859 /nfs/dbraw/zinc/18/08/59/1045180859.db2.gz ZVZPCSKDGWYQFL-UHFFFAOYSA-N 1 0 344.443 4.453 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccncc1 ZINC000766018426 1045193250 /nfs/dbraw/zinc/19/32/50/1045193250.db2.gz HSYSGPNIWLHHCU-WMLDXEAASA-N 1 0 342.439 4.075 20 30 EIEDRO CCCC[C@H](CC)C[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001272610543 1045209438 /nfs/dbraw/zinc/20/94/38/1045209438.db2.gz IGNVEAKWIFEAST-IRFCIJBXSA-N 1 0 347.547 4.067 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@@H]1OCCc2sccc21 ZINC000429120897 1045250172 /nfs/dbraw/zinc/25/01/72/1045250172.db2.gz IVXFFGZKDQULFP-UGSOOPFHSA-N 1 0 331.868 4.045 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@@H]1OCCc2sccc21 ZINC000429125539 1045258189 /nfs/dbraw/zinc/25/81/89/1045258189.db2.gz ZFKFOKNPMPREIV-DIFFPNOSSA-N 1 0 332.856 4.065 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1cccc(C#N)c1 ZINC000611193018 1045260309 /nfs/dbraw/zinc/26/03/09/1045260309.db2.gz ODMCFICPMXGIIH-UWJYYQICSA-N 1 0 333.479 4.262 20 30 EIEDRO N#Cc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)ccn1 ZINC000611186405 1045261253 /nfs/dbraw/zinc/26/12/53/1045261253.db2.gz RMVIDMHATRJTPV-QHCPKHFHSA-N 1 0 339.442 4.295 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)c1cccc(Br)c1 ZINC000611243479 1045266223 /nfs/dbraw/zinc/26/62/23/1045266223.db2.gz HNZKITKXRZJISR-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO CC[C@H](C)Oc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1OC ZINC000611254313 1045267399 /nfs/dbraw/zinc/26/73/99/1045267399.db2.gz BXVHXUBMSIAVRC-INIZCTEOSA-N 1 0 338.451 4.376 20 30 EIEDRO CC(C)C[N@H+](Cc1nn(C)c2ccccc12)Cc1ccc(C#N)cc1 ZINC000611257871 1045269519 /nfs/dbraw/zinc/26/95/19/1045269519.db2.gz ULUABTCFTJSPRM-UHFFFAOYSA-N 1 0 332.451 4.103 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000611290094 1045274937 /nfs/dbraw/zinc/27/49/37/1045274937.db2.gz TYVLLNLLFCHAHX-QFIPXVFZSA-N 1 0 333.479 4.043 20 30 EIEDRO CCN1CCCC[C@H]1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000741149487 1045279284 /nfs/dbraw/zinc/27/92/84/1045279284.db2.gz YZZBBRTWFDWLPR-NRFANRHFSA-N 1 0 348.446 4.143 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 ZINC000611389448 1045294289 /nfs/dbraw/zinc/29/42/89/1045294289.db2.gz WMKDFSINSXRSTR-NSHDSACASA-N 1 0 348.233 4.154 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1cccc(C#N)c1 ZINC000611388556 1045294403 /nfs/dbraw/zinc/29/44/03/1045294403.db2.gz PRYFAPFDJCJMFJ-HNNXBMFYSA-N 1 0 335.451 4.145 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cccc2cccnc21 ZINC000611390698 1045297743 /nfs/dbraw/zinc/29/77/43/1045297743.db2.gz PVMBJFIVJOWAOO-NRFANRHFSA-N 1 0 327.431 4.316 20 30 EIEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]Cc2ccnc(C#N)c2)cc1 ZINC000611397175 1045300618 /nfs/dbraw/zinc/30/06/18/1045300618.db2.gz YMOZYIXPPSYSLM-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000611390179 1045301903 /nfs/dbraw/zinc/30/19/03/1045301903.db2.gz HZZUMBMTHIDDIA-GOTSBHOMSA-N 1 0 345.490 4.362 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000611390322 1045302471 /nfs/dbraw/zinc/30/24/71/1045302471.db2.gz SCIXXFCYKTVQOG-NHCUHLMSSA-N 1 0 349.478 4.345 20 30 EIEDRO CCCCOc1ncccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391391 1045302750 /nfs/dbraw/zinc/30/27/50/1045302750.db2.gz NWZYNNUWAGMPOK-FQEVSTJZSA-N 1 0 335.451 4.299 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCC1 ZINC000611433618 1045305984 /nfs/dbraw/zinc/30/59/84/1045305984.db2.gz DDVWDVXULORVPV-INIZCTEOSA-N 1 0 333.863 4.099 20 30 EIEDRO C[C@@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000611438342 1045308018 /nfs/dbraw/zinc/30/80/18/1045308018.db2.gz YGRLFCOZQWVJRU-XMSQKQJNSA-N 1 0 333.479 4.436 20 30 EIEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000611465396 1045316597 /nfs/dbraw/zinc/31/65/97/1045316597.db2.gz FHEKORSRPYOITG-STQMWFEESA-N 1 0 328.387 4.126 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000611488261 1045317233 /nfs/dbraw/zinc/31/72/33/1045317233.db2.gz PDXKFNGIOIAPQG-IBGZPJMESA-N 1 0 349.482 4.104 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(C#N)nc3ccccc32)C1 ZINC000611509686 1045319144 /nfs/dbraw/zinc/31/91/44/1045319144.db2.gz AJZIBMFQCNNYAL-QZTJIDSGSA-N 1 0 348.494 4.197 20 30 EIEDRO C=C(C[NH2+][C@@H](C)c1cc(Br)ncc1F)c1ccccc1 ZINC000762751698 1045347419 /nfs/dbraw/zinc/34/74/19/1045347419.db2.gz YQMNLHHWZVMYDZ-LBPRGKRZSA-N 1 0 335.220 4.347 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000237632901 1045390734 /nfs/dbraw/zinc/39/07/34/1045390734.db2.gz ISKJVBXHJXOORS-FQEVSTJZSA-N 1 0 340.467 4.080 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168496214 1045416246 /nfs/dbraw/zinc/41/62/46/1045416246.db2.gz HBYZCAAVOOACEO-RBUKOAKNSA-N 1 0 344.405 4.247 20 30 EIEDRO CCCC[N@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000027272675 1045442709 /nfs/dbraw/zinc/44/27/09/1045442709.db2.gz RFPXTYNTZFABMD-UHFFFAOYSA-N 1 0 347.528 4.339 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2csc(Br)c2)cc1 ZINC000397302162 1045512794 /nfs/dbraw/zinc/51/27/94/1045512794.db2.gz GMNDVVBMLDCDNG-UHFFFAOYSA-N 1 0 338.270 4.365 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]CC(C(C)C)C(C)C)ccc1OC ZINC000790544620 1045536058 /nfs/dbraw/zinc/53/60/58/1045536058.db2.gz PLODODPUKSUNSU-QGZVFWFLSA-N 1 0 332.488 4.394 20 30 EIEDRO Cc1c(Cl)c(Cl)nc(NCC2CC[NH+](C(C)C)CC2)c1C#N ZINC001156495783 1045549309 /nfs/dbraw/zinc/54/93/09/1045549309.db2.gz MYAAVQNJLDGMFH-UHFFFAOYSA-N 1 0 341.286 4.101 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3(C4CC4)CC3)c2)c1 ZINC000533563985 1045581026 /nfs/dbraw/zinc/58/10/26/1045581026.db2.gz UHPHMWJWXYNXRA-UHFFFAOYSA-N 1 0 332.447 4.417 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000767693124 1045616155 /nfs/dbraw/zinc/61/61/55/1045616155.db2.gz YJWWXXGUZOEQGT-VKZJTJHYSA-N 1 0 330.472 4.149 20 30 EIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc([S@](C)=O)cc1 ZINC000246320384 1045676610 /nfs/dbraw/zinc/67/66/10/1045676610.db2.gz FHNOUQVHQYUASO-YWBKXGLFSA-N 1 0 326.465 4.120 20 30 EIEDRO C#CC[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000791489046 1045748516 /nfs/dbraw/zinc/74/85/16/1045748516.db2.gz BHTRODHAVOHFDT-GOTSBHOMSA-N 1 0 329.443 4.097 20 30 EIEDRO C#CCCOc1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000768215355 1045753383 /nfs/dbraw/zinc/75/33/83/1045753383.db2.gz DPYOXFQWSORWPT-UHFFFAOYSA-N 1 0 333.431 4.084 20 30 EIEDRO CN(C)/C=[NH+]/c1ccc(NCc2ccc(F)c(Cl)c2F)cc1C#N ZINC001168506439 1045764867 /nfs/dbraw/zinc/76/48/67/1045764867.db2.gz ZJLNDJDOXKXZNR-AUEPDCJTSA-N 1 0 348.784 4.323 20 30 EIEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000768244346 1045774836 /nfs/dbraw/zinc/77/48/36/1045774836.db2.gz IDAVGBXFMIRGQX-SFHVURJKSA-N 1 0 346.430 4.219 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)cc1 ZINC000763233650 1045787662 /nfs/dbraw/zinc/78/76/62/1045787662.db2.gz ZTANQQOBVOWDDM-OAQYLSRUSA-N 1 0 334.463 4.083 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)c(F)c1 ZINC000768334974 1045789485 /nfs/dbraw/zinc/78/94/85/1045789485.db2.gz QYNVJKYQSDRNPC-UHFFFAOYSA-N 1 0 325.431 4.174 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000768518201 1045819689 /nfs/dbraw/zinc/81/96/89/1045819689.db2.gz STPBDESXHGOBNT-JBYIUTFZSA-N 1 0 333.479 4.119 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000247335263 1045846324 /nfs/dbraw/zinc/84/63/24/1045846324.db2.gz XDVBIQSFUFMGIA-PKOBYXMFSA-N 1 0 338.451 4.169 20 30 EIEDRO C[N@H+](CCc1ccccc1F)Cc1cccc(OCCCC#N)c1 ZINC000769029691 1045871717 /nfs/dbraw/zinc/87/17/17/1045871717.db2.gz NNCCQALLQZDEJO-UHFFFAOYSA-N 1 0 326.415 4.183 20 30 EIEDRO C#CC[N@@H+](CC)Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000769107247 1045880066 /nfs/dbraw/zinc/88/00/66/1045880066.db2.gz UYWJLDKRORSOSV-UHFFFAOYSA-N 1 0 326.827 4.047 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000248823509 1045885637 /nfs/dbraw/zinc/88/56/37/1045885637.db2.gz LPNQVYMJJYUTNQ-YSVLISHTSA-N 1 0 326.419 4.053 20 30 EIEDRO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248908991 1045887704 /nfs/dbraw/zinc/88/77/04/1045887704.db2.gz VCPOSFVPXKZVOR-ZIGSKRJUSA-N 1 0 349.881 4.144 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001170185023 1045917636 /nfs/dbraw/zinc/91/76/36/1045917636.db2.gz SMXJOYXCMACSOL-TZIWHRDSSA-N 1 0 341.451 4.070 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000496380714 1045923931 /nfs/dbraw/zinc/92/39/31/1045923931.db2.gz RJCFGFYVDUJXFY-GVDBMIGSSA-N 1 0 349.519 4.084 20 30 EIEDRO CCCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC001170215774 1045931751 /nfs/dbraw/zinc/93/17/51/1045931751.db2.gz FJXZXWOUHYKGQN-QGZVFWFLSA-N 1 0 337.508 4.087 20 30 EIEDRO CC[C@H]1C[C@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CCO1 ZINC001170233546 1045939930 /nfs/dbraw/zinc/93/99/30/1045939930.db2.gz HAWQPPRHOJUATM-CVEARBPZSA-N 1 0 348.874 4.012 20 30 EIEDRO COc1ccc([C@H]2CCCN2Cc2ccc(C#N)c(F)c2)cc1OC ZINC000191879827 1045949443 /nfs/dbraw/zinc/94/94/43/1045949443.db2.gz AXQFXWZFXBQMTL-GOSISDBHSA-N 1 0 340.398 4.052 20 30 EIEDRO C[C@@H]([NH2+]C1(CNCc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000237404671 1045963472 /nfs/dbraw/zinc/96/34/72/1045963472.db2.gz DZMIZEMKTSGESX-GOSISDBHSA-N 1 0 333.479 4.311 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1 ZINC000769465336 1045981758 /nfs/dbraw/zinc/98/17/58/1045981758.db2.gz FYIKUZCFORBJJR-FRQCXROJSA-N 1 0 338.426 4.495 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC000769467410 1045983486 /nfs/dbraw/zinc/98/34/86/1045983486.db2.gz TVVRVUDOBBIQLX-MRXNPFEDSA-N 1 0 338.426 4.496 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001170281172 1045988132 /nfs/dbraw/zinc/98/81/32/1045988132.db2.gz WILZZGIZPFUCOC-JKSUJKDBSA-N 1 0 348.453 4.080 20 30 EIEDRO C[NH+](C)CC[C@@H](c1ccc(NCC(C)(C)S)cc1)c1ccccn1 ZINC001170307398 1046006277 /nfs/dbraw/zinc/00/62/77/1046006277.db2.gz YPKDJYGIPIJDPQ-SFHVURJKSA-N 1 0 343.540 4.286 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cc(Cl)ccn2)CC1 ZINC001170355910 1046010562 /nfs/dbraw/zinc/01/05/62/1046010562.db2.gz TWGUOZCRBYBATQ-UHFFFAOYSA-N 1 0 325.843 4.229 20 30 EIEDRO C[C@H](CCCC(C)(C)O)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170362135 1046015931 /nfs/dbraw/zinc/01/59/31/1046015931.db2.gz NGDJBHZTAZFTOG-FQVISZRSSA-N 1 0 328.500 4.310 20 30 EIEDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000769549310 1046016354 /nfs/dbraw/zinc/01/63/54/1046016354.db2.gz PAKXOHUXBREXEM-UXHICEINSA-N 1 0 336.435 4.063 20 30 EIEDRO N#CC1(c2ccccc2)CCC(NC(=[NH2+])c2cccnc2Cl)CC1 ZINC001170365087 1046016324 /nfs/dbraw/zinc/01/63/24/1046016324.db2.gz ONQGRWJOTSKYCA-UHFFFAOYSA-N 1 0 338.842 4.054 20 30 EIEDRO COCC[C@H]1CCCC[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170386767 1046025844 /nfs/dbraw/zinc/02/58/44/1046025844.db2.gz LORMAPXXWUGCJZ-QNGMFEMESA-N 1 0 326.484 4.282 20 30 EIEDRO Cc1ccc(C2(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2)nc1 ZINC001170371962 1046030812 /nfs/dbraw/zinc/03/08/12/1046030812.db2.gz QECNXTKPSYUJSI-UHFFFAOYSA-N 1 0 345.490 4.415 20 30 EIEDRO CC(C)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cccc(N)n1 ZINC001170376250 1046033801 /nfs/dbraw/zinc/03/38/01/1046033801.db2.gz MDANNUGDLUFDJA-NFOQDIRWSA-N 1 0 348.494 4.355 20 30 EIEDRO Cc1ccccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000078421101 1046047326 /nfs/dbraw/zinc/04/73/26/1046047326.db2.gz CACIMWKORSENNX-UHFFFAOYSA-N 1 0 330.435 4.062 20 30 EIEDRO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000769727286 1046056150 /nfs/dbraw/zinc/05/61/50/1046056150.db2.gz VTSQMVMNKISZFY-IYBDPMFKSA-N 1 0 337.508 4.036 20 30 EIEDRO CC(=[NH+]NCc1ccc(C#N)cc1)c1ccc(N2CCCCC2)cc1 ZINC000769821979 1046071139 /nfs/dbraw/zinc/07/11/39/1046071139.db2.gz FGBYUGPAXSERTO-UHFFFAOYSA-N 1 0 332.451 4.062 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2cccc(C)c2)ccc1O ZINC000916540084 1046072831 /nfs/dbraw/zinc/07/28/31/1046072831.db2.gz MTAAZTBYVBMJHR-UHFFFAOYSA-N 1 0 325.456 4.379 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cnn1-c1ccc(F)cc1 ZINC000488134609 1046100714 /nfs/dbraw/zinc/10/07/14/1046100714.db2.gz ANGOZSQRMUNFRV-OAHLLOKOSA-N 1 0 348.425 4.351 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000770000272 1046125392 /nfs/dbraw/zinc/12/53/92/1046125392.db2.gz AVVCPUISESOAML-VQTJNVASSA-N 1 0 340.854 4.472 20 30 EIEDRO C[C@H](c1ccccc1Cl)[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763406251 1046134423 /nfs/dbraw/zinc/13/44/23/1046134423.db2.gz IAQJTYRQEPWZRH-VLIAUNLRSA-N 1 0 340.854 4.471 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC000770236528 1046162832 /nfs/dbraw/zinc/16/28/32/1046162832.db2.gz KUVVKZZETOMIRT-WOJBJXKFSA-N 1 0 342.389 4.097 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2cccc(Cl)n2)ccc1O ZINC000793173511 1046162886 /nfs/dbraw/zinc/16/28/86/1046162886.db2.gz AQWQZVSWBIYICF-UHFFFAOYSA-N 1 0 346.862 4.119 20 30 EIEDRO CC(N=Nc1cccc(Cl)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793175396 1046164538 /nfs/dbraw/zinc/16/45/38/1046164538.db2.gz UBEBNIRMXBNTSL-INIZCTEOSA-N 1 0 328.847 4.045 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000770293818 1046173088 /nfs/dbraw/zinc/17/30/88/1046173088.db2.gz YFXRTNUHMPAQQR-PKOBYXMFSA-N 1 0 343.492 4.401 20 30 EIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000770292257 1046173044 /nfs/dbraw/zinc/17/30/44/1046173044.db2.gz NZBBCYYFLRSRFZ-ZWKOTPCHSA-N 1 0 343.492 4.401 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000770293817 1046174560 /nfs/dbraw/zinc/17/45/60/1046174560.db2.gz YFXRTNUHMPAQQR-MJGOQNOKSA-N 1 0 343.492 4.401 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](CCC)[C@@H](O)c2ccccc2)cc1 ZINC000793240056 1046187283 /nfs/dbraw/zinc/18/72/83/1046187283.db2.gz RSYSPFHFQPCRKV-VXKWHMMOSA-N 1 0 337.463 4.081 20 30 EIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)c(F)c1)CCC2 ZINC000192117614 1046195201 /nfs/dbraw/zinc/19/52/01/1046195201.db2.gz RHOFCYSDCAJCDE-INIZCTEOSA-N 1 0 329.444 4.226 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000793564674 1046294467 /nfs/dbraw/zinc/29/44/67/1046294467.db2.gz JBAKCLHBPOLXBQ-HOTGVXAUSA-N 1 0 327.476 4.351 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC001168518864 1046299460 /nfs/dbraw/zinc/29/94/60/1046299460.db2.gz HWNASDSKRFNCNN-GOSISDBHSA-N 1 0 347.890 4.489 20 30 EIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000287199804 1046301073 /nfs/dbraw/zinc/30/10/73/1046301073.db2.gz WGUOHCKVWPLBNR-QZTJIDSGSA-N 1 0 338.451 4.235 20 30 EIEDRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1CCC(C#N)CC1 ZINC000497189444 1046384859 /nfs/dbraw/zinc/38/48/59/1046384859.db2.gz GYQLKVJXMMTIJP-AQEOSJORSA-N 1 0 349.519 4.084 20 30 EIEDRO N#Cc1sc(NCCCCCCC[NH+]2CCCC2)nc1Cl ZINC000804372327 1046412548 /nfs/dbraw/zinc/41/25/48/1046412548.db2.gz PTEUCTQPPVSWFF-UHFFFAOYSA-N 1 0 326.897 4.126 20 30 EIEDRO C=CCCOCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000533801226 1046444594 /nfs/dbraw/zinc/44/45/94/1046444594.db2.gz IOZUYIICDMDZEK-UHFFFAOYSA-N 1 0 347.462 4.222 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNc1nc(Cl)c(C#N)s1)c1ccccc1 ZINC000804429563 1046490704 /nfs/dbraw/zinc/49/07/04/1046490704.db2.gz MCDLPNZPDDUNNC-NSHDSACASA-N 1 0 334.876 4.209 20 30 EIEDRO C=C[C@H](CC(=O)N(CCC)CC[NH+]1CCCCCC1)c1ccccc1 ZINC001129582103 1046576611 /nfs/dbraw/zinc/57/66/11/1046576611.db2.gz UDBCHUREHWBNKR-HXUWFJFHSA-N 1 0 342.527 4.461 20 30 EIEDRO CC[N@H+](C[C@H](O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000772174729 1046587013 /nfs/dbraw/zinc/58/70/13/1046587013.db2.gz LLOHTFOVOARKMQ-LIRRHRJNSA-N 1 0 328.843 4.328 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)cc1F ZINC000917074923 1046639153 /nfs/dbraw/zinc/63/91/53/1046639153.db2.gz LVXSUMHLCLBMAS-UHFFFAOYSA-N 1 0 325.431 4.174 20 30 EIEDRO C=C(C)COc1cc(C[N@H+]2CCC[C@H](OCCC)CC2)ccc1OC ZINC000536675207 1046661322 /nfs/dbraw/zinc/66/13/22/1046661322.db2.gz DXQLIYYIKVLWFF-IBGZPJMESA-N 1 0 347.499 4.431 20 30 EIEDRO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](OCCC)CC2)ccc1OC ZINC000536675208 1046661610 /nfs/dbraw/zinc/66/16/10/1046661610.db2.gz DXQLIYYIKVLWFF-LJQANCHMSA-N 1 0 347.499 4.431 20 30 EIEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000536697114 1046693559 /nfs/dbraw/zinc/69/35/59/1046693559.db2.gz JYRLHYMOEULTEY-JOCHJYFZSA-N 1 0 344.462 4.051 20 30 EIEDRO N#Cc1csc(CN2CCC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000536708598 1046718269 /nfs/dbraw/zinc/71/82/69/1046718269.db2.gz IOOBOCBLOJHZIY-AWEZNQCLSA-N 1 0 332.856 4.317 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)cc1OC ZINC000536710109 1046720993 /nfs/dbraw/zinc/72/09/93/1046720993.db2.gz JSJSKQSMUGNKIA-LJQANCHMSA-N 1 0 340.467 4.326 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)ccc1F ZINC000459522168 1046752335 /nfs/dbraw/zinc/75/23/35/1046752335.db2.gz GCMVRDBNZVNZOF-HXUWFJFHSA-N 1 0 338.426 4.081 20 30 EIEDRO N#CCSCCC[N@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459592189 1046803612 /nfs/dbraw/zinc/80/36/12/1046803612.db2.gz MTPUSNNADQKWBP-INIZCTEOSA-N 1 0 348.903 4.390 20 30 EIEDRO CC(C)Sc1cccc(Cl)c1C=NNCC[NH+]1CCCCC1 ZINC000786040657 1046804920 /nfs/dbraw/zinc/80/49/20/1046804920.db2.gz RIDDEDKSMLKGJK-UHFFFAOYSA-N 1 0 339.936 4.250 20 30 EIEDRO C=C(C)COCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000536842694 1046815485 /nfs/dbraw/zinc/81/54/85/1046815485.db2.gz ANMKXLADLLCYNI-INIZCTEOSA-N 1 0 328.481 4.370 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1Cl ZINC000746576128 1046824826 /nfs/dbraw/zinc/82/48/26/1046824826.db2.gz LMDPCKZIIIOTJG-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO C=CCC[N@@H+](C)CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000786446042 1046838735 /nfs/dbraw/zinc/83/87/35/1046838735.db2.gz QJLGTRKCNJCDPC-UHFFFAOYSA-N 1 0 338.407 4.041 20 30 EIEDRO CC(C)[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(F)cn1 ZINC000497524462 1046840503 /nfs/dbraw/zinc/84/05/03/1046840503.db2.gz XUEUHTLUKMGENO-LJQANCHMSA-N 1 0 343.471 4.312 20 30 EIEDRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)CC#N ZINC000459737196 1046875466 /nfs/dbraw/zinc/87/54/66/1046875466.db2.gz VXTNNZBNRVMCBF-LLVKDONJSA-N 1 0 327.241 4.049 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2)c1 ZINC000786852613 1046876324 /nfs/dbraw/zinc/87/63/24/1046876324.db2.gz HTNVOXOFSZCFMQ-BSIFCXSSSA-N 1 0 338.451 4.233 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cnn(-c2ccccc2)c1 ZINC000787029450 1046894974 /nfs/dbraw/zinc/89/49/74/1046894974.db2.gz XEXIEDOHPMRGPH-VFNWGFHPSA-N 1 0 328.419 4.082 20 30 EIEDRO COCc1cc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000787034683 1046896566 /nfs/dbraw/zinc/89/65/66/1046896566.db2.gz TWUZZMGYZMJLLL-XOBRGWDASA-N 1 0 336.435 4.051 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1ccc(F)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000746659505 1046929029 /nfs/dbraw/zinc/92/90/29/1046929029.db2.gz WAOYEAHEINGNCR-MGPUTAFESA-N 1 0 326.415 4.122 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000537103289 1046933676 /nfs/dbraw/zinc/93/36/76/1046933676.db2.gz RMPIMCZMPJYFFM-RTBURBONSA-N 1 0 349.478 4.289 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC001170075561 1047031284 /nfs/dbraw/zinc/03/12/84/1047031284.db2.gz SLCWUOGNWDCYCY-UHFFFAOYSA-N 1 0 338.426 4.358 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000537290950 1047069041 /nfs/dbraw/zinc/06/90/41/1047069041.db2.gz STYYIUHWXFORAE-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO C#CCC1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCCCC1 ZINC000788159777 1047125756 /nfs/dbraw/zinc/12/57/56/1047125756.db2.gz UHYPUVUTRFMIBM-UHFFFAOYSA-N 1 0 340.511 4.117 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(Cl)c3cccnc23)cc1C#N ZINC000746733839 1047135876 /nfs/dbraw/zinc/13/58/76/1047135876.db2.gz JETBTCKJHOTZHT-UHFFFAOYSA-N 1 0 337.810 4.058 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)cc1C#N ZINC000746740099 1047158981 /nfs/dbraw/zinc/15/89/81/1047158981.db2.gz CUCIRGNSZYBZES-UHFFFAOYSA-N 1 0 349.459 4.289 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000806175814 1047162956 /nfs/dbraw/zinc/16/29/56/1047162956.db2.gz FUKZSQXWVURNAQ-QRWLVFNGSA-N 1 0 343.854 4.126 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000917831645 1047175336 /nfs/dbraw/zinc/17/53/36/1047175336.db2.gz KFVRDTRVWCZLGV-HXUWFJFHSA-N 1 0 338.426 4.173 20 30 EIEDRO C=CCCCCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000806168009 1047191343 /nfs/dbraw/zinc/19/13/43/1047191343.db2.gz RZPRUPUYBOJOPD-UHFFFAOYSA-N 1 0 325.500 4.249 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(C#N)c(F)c1 ZINC000537407126 1047199786 /nfs/dbraw/zinc/19/97/86/1047199786.db2.gz LWAFTNCZBZVNQJ-AWEZNQCLSA-N 1 0 339.439 4.153 20 30 EIEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000455855225 1047244884 /nfs/dbraw/zinc/24/48/84/1047244884.db2.gz CGZRJCPZSUVTFO-UHFFFAOYSA-N 1 0 349.478 4.136 20 30 EIEDRO Cc1ccc(-c2noc([C@H](C)[NH2+]CCCC(C)(C)C#N)n2)cc1F ZINC000542609969 1047276155 /nfs/dbraw/zinc/27/61/55/1047276155.db2.gz GTYIFAZWKXVYDG-ZDUSSCGKSA-N 1 0 330.407 4.165 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H]3CCCS3)c2)c1 ZINC000152554488 1047312054 /nfs/dbraw/zinc/31/20/54/1047312054.db2.gz UKXBQRSABKOZOE-FQEVSTJZSA-N 1 0 338.476 4.122 20 30 EIEDRO O=C1C=COC2(CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)C1 ZINC000897599791 1047337381 /nfs/dbraw/zinc/33/73/81/1047337381.db2.gz VYTPVZZRPUFKIK-UHFFFAOYSA-N 1 0 347.458 4.156 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NCc2ccc(C#N)c(F)c2)c1F ZINC001170096129 1047355525 /nfs/dbraw/zinc/35/55/25/1047355525.db2.gz MPJRTUSBNIKXCX-UHFFFAOYSA-N 1 0 329.394 4.290 20 30 EIEDRO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]Cc1nc(C#N)cs1 ZINC000897629452 1047403127 /nfs/dbraw/zinc/40/31/27/1047403127.db2.gz VLLRMRZFOQYYNN-LLVKDONJSA-N 1 0 339.386 4.144 20 30 EIEDRO CCOc1ccc(/C=N/C2CC[NH+](C3CCCCC3)CC2)c(O)c1 ZINC000746815384 1047425687 /nfs/dbraw/zinc/42/56/87/1047425687.db2.gz IOSSDKQFXSEOPY-RCCKNPSSSA-N 1 0 330.472 4.007 20 30 EIEDRO CCOc1ccc(O)c(/C=N/C[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746815812 1047426883 /nfs/dbraw/zinc/42/68/83/1047426883.db2.gz NMELCKOCKGZWGH-AGKWGAAGSA-N 1 0 346.858 4.166 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC1CC[NH+](C2CCCCC2)CC1 ZINC000746816729 1047428372 /nfs/dbraw/zinc/42/83/72/1047428372.db2.gz SOIZYBOOYJDLGQ-JCMHNJIXSA-N 1 0 337.467 4.156 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](CCC(=O)OC)c1ccccc1)c1ccc(C#N)cc1 ZINC000556078429 1047436102 /nfs/dbraw/zinc/43/61/02/1047436102.db2.gz LQMPEVQAWZEYCD-UXHICEINSA-N 1 0 336.435 4.293 20 30 EIEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CCOc1ccccc1C#N ZINC000609280811 1047479943 /nfs/dbraw/zinc/47/99/43/1047479943.db2.gz PVQRMJYCYGMIJN-LJQANCHMSA-N 1 0 336.435 4.173 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCC3(CC3)C2)cc1OCCCC#N ZINC000897773527 1047480240 /nfs/dbraw/zinc/48/02/40/1047480240.db2.gz JZHXFBZAUHHYJX-QGZVFWFLSA-N 1 0 328.456 4.190 20 30 EIEDRO C[C@@H](C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1cc(F)cc(F)c1 ZINC000556165116 1047516811 /nfs/dbraw/zinc/51/68/11/1047516811.db2.gz HGUGFTKQYAQEMT-HNNXBMFYSA-N 1 0 341.405 4.021 20 30 EIEDRO C=C[C@@H](CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000533914550 1047541682 /nfs/dbraw/zinc/54/16/82/1047541682.db2.gz XHPKLNVLOCSVKN-ZCNNSNEGSA-N 1 0 342.527 4.221 20 30 EIEDRO C[C@H]1CC(N=Nc2nccnc2C2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000807991821 1047564886 /nfs/dbraw/zinc/56/48/86/1047564886.db2.gz STTXIVGLADYEDV-INIZCTEOSA-N 1 0 349.482 4.054 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cnn(CC2CCC2)c1 ZINC000898181426 1047575805 /nfs/dbraw/zinc/57/58/05/1047575805.db2.gz HFJODSRKRHFAIX-MRXNPFEDSA-N 1 0 334.467 4.089 20 30 EIEDRO Cc1cccn2cc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)nc12 ZINC000537506091 1047652359 /nfs/dbraw/zinc/65/23/59/1047652359.db2.gz DEEDNFZVDYASLO-UHFFFAOYSA-N 1 0 344.462 4.137 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc3cccc(F)c3c2C)CC1 ZINC000106038452 1047658294 /nfs/dbraw/zinc/65/82/94/1047658294.db2.gz VGMWUCKJFPXLGN-UHFFFAOYSA-N 1 0 346.471 4.119 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000618742196 1047813992 /nfs/dbraw/zinc/81/39/92/1047813992.db2.gz KWNCVAWSXOLTSO-QGZVFWFLSA-N 1 0 332.325 4.234 20 30 EIEDRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccc(C#N)cc1 ZINC000808379571 1047882310 /nfs/dbraw/zinc/88/23/10/1047882310.db2.gz QWLOITJFFXALBC-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc1 ZINC000824716169 1047910214 /nfs/dbraw/zinc/91/02/14/1047910214.db2.gz SRCMMLZMPDJHSA-GZBFAFLISA-N 1 0 326.362 4.140 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000808450835 1047918898 /nfs/dbraw/zinc/91/88/98/1047918898.db2.gz CBJXVBKNMBQNMG-FGZHOGPDSA-N 1 0 335.447 4.099 20 30 EIEDRO COC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1cccc(Cl)c1 ZINC000808453938 1047919664 /nfs/dbraw/zinc/91/96/64/1047919664.db2.gz BGUVVNRLTCZEDD-KUHUBIRLSA-N 1 0 344.842 4.108 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000824926623 1047996275 /nfs/dbraw/zinc/99/62/75/1047996275.db2.gz QAVHEUUVMDRQDF-UHFFFAOYSA-N 1 0 325.355 4.069 20 30 EIEDRO CC1(C2CC2)CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC001170744626 1048011597 /nfs/dbraw/zinc/01/15/97/1048011597.db2.gz IATIOFCPUMBWCM-UHFFFAOYSA-N 1 0 333.273 4.333 20 30 EIEDRO SCc1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1 ZINC001170754255 1048097238 /nfs/dbraw/zinc/09/72/38/1048097238.db2.gz OBYLBOKJDNKQEA-FQEVSTJZSA-N 1 0 326.509 4.235 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1cccc(Br)n1)c1ccccc1 ZINC000814659828 1048106349 /nfs/dbraw/zinc/10/63/49/1048106349.db2.gz QAKMFTGMNJDIIQ-INIZCTEOSA-N 1 0 344.256 4.369 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000814661352 1048106463 /nfs/dbraw/zinc/10/64/63/1048106463.db2.gz XTDQYDXOAFXIAH-MOPGFXCFSA-N 1 0 330.378 4.023 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000814667909 1048123047 /nfs/dbraw/zinc/12/30/47/1048123047.db2.gz YZMADBMZANVFPX-KRWDZBQOSA-N 1 0 326.827 4.232 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@H]2C)ccc1Cl ZINC000217141831 1048147413 /nfs/dbraw/zinc/14/74/13/1048147413.db2.gz VABICGVZMGSGMD-RDTXWAMCSA-N 1 0 347.890 4.063 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000556908380 1048176637 /nfs/dbraw/zinc/17/66/37/1048176637.db2.gz IWFPIJZZYKZQFS-OAQYLSRUSA-N 1 0 337.463 4.245 20 30 EIEDRO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1c(Cl)cccc1C#N ZINC001143730902 1048177783 /nfs/dbraw/zinc/17/77/83/1048177783.db2.gz FKGTZZJBJRMIEF-DLBZAZTESA-N 1 0 331.891 4.050 20 30 EIEDRO CC(=NNc1nc2ccccc2cc1C)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814896012 1048221851 /nfs/dbraw/zinc/22/18/51/1048221851.db2.gz DIBDFVOLTZTECP-UHFFFAOYSA-N 1 0 344.462 4.068 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)c1cccc2ccccc21 ZINC000815028167 1048308157 /nfs/dbraw/zinc/30/81/57/1048308157.db2.gz SMRUMXLZWLQZQW-QHCPKHFHSA-N 1 0 342.442 4.433 20 30 EIEDRO C=CC[C@H](C)C(=O)Nc1cccc2c1C[N@H+](C)C[C@@H]2c1ccccc1 ZINC001144020899 1048370163 /nfs/dbraw/zinc/37/01/63/1048370163.db2.gz JFBZVRVVDPLPIL-QFBILLFUSA-N 1 0 334.463 4.415 20 30 EIEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H](CC)CCCCCC)C2 ZINC001170581460 1048375918 /nfs/dbraw/zinc/37/59/18/1048375918.db2.gz LMCMRPKXUAKXAC-RBUKOAKNSA-N 1 0 330.516 4.230 20 30 EIEDRO N#Cc1cncc(C[N@H+]2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC001144079470 1048409767 /nfs/dbraw/zinc/40/97/67/1048409767.db2.gz MWWMDLVTXJFIKR-HNNXBMFYSA-N 1 0 332.234 4.250 20 30 EIEDRO C#Cc1ccc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000809610569 1048418317 /nfs/dbraw/zinc/41/83/17/1048418317.db2.gz XDSWDILFECVJEE-UHFFFAOYSA-N 1 0 347.487 4.036 20 30 EIEDRO C#Cc1ccc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)cc1 ZINC000809613943 1048422161 /nfs/dbraw/zinc/42/21/61/1048422161.db2.gz DGIUGJHQSKTEOH-UHFFFAOYSA-N 1 0 339.866 4.159 20 30 EIEDRO CN(C)c1ccc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000155180248 1048448715 /nfs/dbraw/zinc/44/87/15/1048448715.db2.gz LTBXVSUHUVZVFD-UHFFFAOYSA-N 1 0 337.467 4.067 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(Cl)cc(C)c1O ZINC000809701671 1048466981 /nfs/dbraw/zinc/46/69/81/1048466981.db2.gz IGNVDFQRJDWCMR-UHFFFAOYSA-N 1 0 335.831 4.018 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1)C(C)C ZINC000809685169 1048473842 /nfs/dbraw/zinc/47/38/42/1048473842.db2.gz CTZFPRBXOGIDHZ-LJQANCHMSA-N 1 0 339.483 4.061 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(OCC)ccc1O ZINC000809705710 1048486244 /nfs/dbraw/zinc/48/62/44/1048486244.db2.gz XJWCOBNPRDQWTM-UHFFFAOYSA-N 1 0 343.471 4.147 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844756957 1048488472 /nfs/dbraw/zinc/48/84/72/1048488472.db2.gz CVIMUCAMJJKAEB-MRXNPFEDSA-N 1 0 335.423 4.003 20 30 EIEDRO N#Cc1csc(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000809754648 1048518214 /nfs/dbraw/zinc/51/82/14/1048518214.db2.gz LMUWFGSWYMGLAL-HNNXBMFYSA-N 1 0 341.263 4.140 20 30 EIEDRO C#Cc1ccc(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000809754687 1048518289 /nfs/dbraw/zinc/51/82/89/1048518289.db2.gz MLIHAQKUMVNPAP-GOSISDBHSA-N 1 0 334.246 4.188 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000809757080 1048521815 /nfs/dbraw/zinc/52/18/15/1048521815.db2.gz ZWTLOMXASXYYAO-PVXIVEMSSA-N 1 0 327.255 4.089 20 30 EIEDRO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)C(C)(C)C ZINC000809781712 1048529979 /nfs/dbraw/zinc/52/99/79/1048529979.db2.gz YQOIMPRKIAMSMV-FQEVSTJZSA-N 1 0 344.462 4.072 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815596002 1048530235 /nfs/dbraw/zinc/53/02/35/1048530235.db2.gz HXCSZPZERNMWDS-FQEVSTJZSA-N 1 0 325.452 4.248 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)C(C)(C)C ZINC000809781713 1048530650 /nfs/dbraw/zinc/53/06/50/1048530650.db2.gz YQOIMPRKIAMSMV-HXUWFJFHSA-N 1 0 344.462 4.072 20 30 EIEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)cn1 ZINC001144262593 1048542061 /nfs/dbraw/zinc/54/20/61/1048542061.db2.gz CKCXTJXVXVFICD-QGZVFWFLSA-N 1 0 343.430 4.422 20 30 EIEDRO CCOc1cccc(/C=N\[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1O ZINC000920174137 1048571799 /nfs/dbraw/zinc/57/17/99/1048571799.db2.gz KIOLQSIBANIVNC-LMZUZTJHSA-N 1 0 338.451 4.045 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc(C#N)c4ccsc43)c2c1 ZINC001171166549 1048600827 /nfs/dbraw/zinc/60/08/27/1048600827.db2.gz MIYOSLONGGWBLC-ZDUSSCGKSA-N 1 0 346.459 4.310 20 30 EIEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(N2CCCCC2=O)cc1 ZINC000810126287 1048639455 /nfs/dbraw/zinc/63/94/55/1048639455.db2.gz FDAMQPOOMUUYNS-INIZCTEOSA-N 1 0 327.472 4.184 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(Br)c1F ZINC001171176759 1048647087 /nfs/dbraw/zinc/64/70/87/1048647087.db2.gz UZJVORNFHSRGKN-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000810168638 1048652075 /nfs/dbraw/zinc/65/20/75/1048652075.db2.gz CBJXVBKNMBQNMG-YADHBBJMSA-N 1 0 335.447 4.099 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC001171179594 1048653059 /nfs/dbraw/zinc/65/30/59/1048653059.db2.gz UTBGIISYDYOMHT-JTSKRJEESA-N 1 0 327.431 4.263 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(Br)c1 ZINC001171181555 1048662525 /nfs/dbraw/zinc/66/25/25/1048662525.db2.gz MYGZECWBLJZSJU-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)Cc3cccc(C#N)c3)cc2)n1 ZINC001171180574 1048666909 /nfs/dbraw/zinc/66/69/09/1048666909.db2.gz BJAYPTZMZKZSFZ-INIZCTEOSA-N 1 0 344.462 4.082 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Br)s1 ZINC001171183030 1048673678 /nfs/dbraw/zinc/67/36/78/1048673678.db2.gz ALGOIYACOFCKPO-LLVKDONJSA-N 1 0 335.270 4.103 20 30 EIEDRO CC(C)(C)c1ccc([C@@H](O)C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810217977 1048686123 /nfs/dbraw/zinc/68/61/23/1048686123.db2.gz DJXZLMYPVAMJQI-SFTDATJTSA-N 1 0 334.463 4.166 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000810217767 1048686584 /nfs/dbraw/zinc/68/65/84/1048686584.db2.gz KNQVACDQNGHXMM-CYBMUJFWSA-N 1 0 347.256 4.260 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001171189996 1048693468 /nfs/dbraw/zinc/69/34/68/1048693468.db2.gz OJGXWAMQRCKLEZ-XIKOKIGWSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H](O)c1c(F)cccc1Cl ZINC000810227100 1048694681 /nfs/dbraw/zinc/69/46/81/1048694681.db2.gz RDKPCALIBTVERJ-OWOPXTPDSA-N 1 0 344.817 4.050 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171192348 1048699648 /nfs/dbraw/zinc/69/96/48/1048699648.db2.gz MTCSODSBDLWJMA-MAUKXSAKSA-N 1 0 329.447 4.133 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)NC(=[NH2+])Cc1cccc(C(F)(F)F)c1 ZINC001171194919 1048702457 /nfs/dbraw/zinc/70/24/57/1048702457.db2.gz NIJKJZMVIKTGCO-CYBMUJFWSA-N 1 0 345.368 4.318 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(Br)nc2)cc1 ZINC000810241315 1048723869 /nfs/dbraw/zinc/72/38/69/1048723869.db2.gz RJVVMGJEZLLQDQ-CYBMUJFWSA-N 1 0 347.256 4.260 20 30 EIEDRO COc1cccc(CC2(C[NH2+][C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171198834 1048727758 /nfs/dbraw/zinc/72/77/58/1048727758.db2.gz RBCIFXDTSBHPJD-QGZVFWFLSA-N 1 0 334.463 4.110 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cc(C)c(OC)c(Cl)c2)ccc1C#N ZINC000810251438 1048729024 /nfs/dbraw/zinc/72/90/24/1048729024.db2.gz SCIOVZQSFASDDO-ZDUSSCGKSA-N 1 0 344.842 4.388 20 30 EIEDRO C#Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](OCC4CC4)[C@H]3C2)cc1 ZINC001144572464 1048732636 /nfs/dbraw/zinc/73/26/36/1048732636.db2.gz ZMLVJQYMCOWROH-HJOGWXRNSA-N 1 0 343.470 4.365 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ncccc1Cl)C1CC1 ZINC001171201099 1048753246 /nfs/dbraw/zinc/75/32/46/1048753246.db2.gz HWVUKGUROLNTMF-ACJLOTCBSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001171202325 1048770806 /nfs/dbraw/zinc/77/08/06/1048770806.db2.gz BKZNIQMMUMRMBP-FDDCHVKYSA-N 1 0 341.458 4.396 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCOc2ccc(Cl)cc21 ZINC001171203917 1048772901 /nfs/dbraw/zinc/77/29/01/1048772901.db2.gz QHKQZOIGLCSJAA-UGSOOPFHSA-N 1 0 326.827 4.256 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001171204468 1048787491 /nfs/dbraw/zinc/78/74/91/1048787491.db2.gz YERSISYPQTZGEK-CQSZACIVSA-N 1 0 347.384 4.078 20 30 EIEDRO COc1ccccc1CC1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171208495 1048804247 /nfs/dbraw/zinc/80/42/47/1048804247.db2.gz CAIWOFKLISUOCS-SFHVURJKSA-N 1 0 348.490 4.453 20 30 EIEDRO C[C@H](CSC(C)(C)C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846113926 1048815128 /nfs/dbraw/zinc/81/51/28/1048815128.db2.gz DJHJSVLJLKLVTD-MRXNPFEDSA-N 1 0 345.556 4.032 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000920943908 1048817968 /nfs/dbraw/zinc/81/79/68/1048817968.db2.gz LALXULLFXNRBIC-AREJXAQWSA-N 1 0 338.451 4.047 20 30 EIEDRO CC1CC[NH+]([C@@H](C/N=C\c2cccc(O)c2O)c2cccs2)CC1 ZINC000920944078 1048818024 /nfs/dbraw/zinc/81/80/24/1048818024.db2.gz ORYUMWBNRUICFP-DEFALTHMSA-N 1 0 344.480 4.051 20 30 EIEDRO CCOc1ccc(/C=N\C[C@H](c2ccc(CC)cc2)[NH+](C)C)c(O)c1 ZINC000920945297 1048818912 /nfs/dbraw/zinc/81/89/12/1048818912.db2.gz VEVJMXGWNHNRAN-IDCRMVTHSA-N 1 0 340.467 4.075 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000218034530 1048837124 /nfs/dbraw/zinc/83/71/24/1048837124.db2.gz ZSEZFNQRSCHRJM-WMLDXEAASA-N 1 0 347.890 4.112 20 30 EIEDRO Cc1nn(Cc2ccccc2)c(C)c1CN(C)Cc1cccc(C#N)c1 ZINC000130741790 1048865908 /nfs/dbraw/zinc/86/59/08/1048865908.db2.gz MKJSSTMRGYVVJO-UHFFFAOYSA-N 1 0 344.462 4.052 20 30 EIEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171230717 1048870091 /nfs/dbraw/zinc/87/00/91/1048870091.db2.gz XSDIQXUMSKBWTN-XMSQKQJNSA-N 1 0 348.490 4.453 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001171232448 1048878268 /nfs/dbraw/zinc/87/82/68/1048878268.db2.gz SKXJIXPQAPSSEX-WMZHIEFXSA-N 1 0 347.506 4.086 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(Cl)nc2)cc(OC)c1OC ZINC000772945606 1048883638 /nfs/dbraw/zinc/88/36/38/1048883638.db2.gz HUIANIPPAVLMBO-CYBMUJFWSA-N 1 0 346.858 4.332 20 30 EIEDRO O[C@H](C[C@H]1CCCCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660873 1048899470 /nfs/dbraw/zinc/89/94/70/1048899470.db2.gz WGISLZMUVFTUKR-WOJBJXKFSA-N 1 0 341.426 4.139 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1c[nH]c(=O)c2ccccc12)c1ccccc1 ZINC001170623308 1048929015 /nfs/dbraw/zinc/92/90/15/1048929015.db2.gz OUQZBMJRYZUAED-HXUWFJFHSA-N 1 0 331.419 4.465 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(CCCC)cc1)C(C)C ZINC001135877759 1048940658 /nfs/dbraw/zinc/94/06/58/1048940658.db2.gz PACMDUDNAJILSL-HXUWFJFHSA-N 1 0 330.516 4.350 20 30 EIEDRO CCCCCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC001171259107 1048965764 /nfs/dbraw/zinc/96/57/64/1048965764.db2.gz MUEPTXQGENOAIH-HXUWFJFHSA-N 1 0 328.500 4.006 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1ccc(OCC#N)cc1 ZINC000772959445 1048994396 /nfs/dbraw/zinc/99/43/96/1048994396.db2.gz NEHKWSADCQDYCP-SJKOYZFVSA-N 1 0 328.799 4.027 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOc3c(CC)cccc32)cc1 ZINC000772960044 1048996162 /nfs/dbraw/zinc/99/61/62/1048996162.db2.gz QFZVJKHFLDTZJX-HRAATJIYSA-N 1 0 335.447 4.435 20 30 EIEDRO C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(OCC#N)cc1 ZINC000772960211 1048996541 /nfs/dbraw/zinc/99/65/41/1048996541.db2.gz QHEQHHMHFVHPPM-ACJLOTCBSA-N 1 0 326.827 4.060 20 30 EIEDRO C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)c1ccc(OCC#N)cc1 ZINC000772960218 1048997291 /nfs/dbraw/zinc/99/72/91/1048997291.db2.gz QHEQHHMHFVHPPM-UGSOOPFHSA-N 1 0 326.827 4.060 20 30 EIEDRO COc1cc(Cl)ccc1[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817579346 1049009047 /nfs/dbraw/zinc/00/90/47/1049009047.db2.gz XHLYQUZBSXQABH-CYBMUJFWSA-N 1 0 330.815 4.102 20 30 EIEDRO N#CC1(Nc2ccc(CS)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001171276567 1049020314 /nfs/dbraw/zinc/02/03/14/1049020314.db2.gz BJSFAFUPCFNTFQ-UHFFFAOYSA-N 1 0 337.492 4.087 20 30 EIEDRO C=CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001146833926 1049063167 /nfs/dbraw/zinc/06/31/67/1049063167.db2.gz SOIZJLHJXWHENQ-JRGCBEDISA-N 1 0 340.511 4.006 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000135135926 1049074008 /nfs/dbraw/zinc/07/40/08/1049074008.db2.gz ILFMXQFXCBEQIR-UHFFFAOYSA-N 1 0 333.479 4.200 20 30 EIEDRO C#C[C@H]([NH2+]C1CCC(c2nc(CC)no2)CC1)c1ccc(Cl)cc1 ZINC000811517537 1049101037 /nfs/dbraw/zinc/10/10/37/1049101037.db2.gz VCPQJLJONFRVEJ-PREGVCBESA-N 1 0 343.858 4.276 20 30 EIEDRO C[NH+](C)CCOc1cc(F)ccc1Nc1ccc(C2(C#N)CC2)cc1 ZINC001212260057 1049105274 /nfs/dbraw/zinc/10/52/74/1049105274.db2.gz IZJQZAJASNTHLO-UHFFFAOYSA-N 1 0 339.414 4.065 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)c(Cl)c1 ZINC000818335711 1049130849 /nfs/dbraw/zinc/13/08/49/1049130849.db2.gz ZLSGVAQKWHQORH-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO N#Cc1ccc(OCC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000609541443 1049141878 /nfs/dbraw/zinc/14/18/78/1049141878.db2.gz PFIPOFJRCLUPMZ-QGZVFWFLSA-N 1 0 326.827 4.080 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000819065309 1049255619 /nfs/dbraw/zinc/25/56/19/1049255619.db2.gz HMDVLEZYHQYWPJ-IRXDYDNUSA-N 1 0 347.245 4.176 20 30 EIEDRO C=CC[NH+]1CCC(Nc2ccc3ccc(Br)cc3n2)CC1 ZINC000811802488 1049271573 /nfs/dbraw/zinc/27/15/73/1049271573.db2.gz BZXRBQIZECRMRX-UHFFFAOYSA-N 1 0 346.272 4.060 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000772987967 1049289775 /nfs/dbraw/zinc/28/97/75/1049289775.db2.gz NIEOEUMDOGYPBE-XJKSGUPXSA-N 1 0 329.490 4.475 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000819282069 1049298571 /nfs/dbraw/zinc/29/85/71/1049298571.db2.gz SUIBXZWVIJLHLI-BMGDILEWSA-N 1 0 347.245 4.044 20 30 EIEDRO COc1cccc([C@H](C)[NH+]2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609823560 1049343718 /nfs/dbraw/zinc/34/37/18/1049343718.db2.gz QHRYNNIMXMZNJB-ROUUACIJSA-N 1 0 349.478 4.007 20 30 EIEDRO COc1cccc([C@@H](C)[NH+]2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609823561 1049344917 /nfs/dbraw/zinc/34/49/17/1049344917.db2.gz QHRYNNIMXMZNJB-ZWKOTPCHSA-N 1 0 349.478 4.007 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252739 1049357986 /nfs/dbraw/zinc/35/79/86/1049357986.db2.gz ORZDGDAQQKCDAR-HDICACEKSA-N 1 0 342.527 4.383 20 30 EIEDRO C[C@@H](NN=C1CCC([N@H+](C)Cc2ccccc2)CC1)c1ccncc1 ZINC000819817216 1049374586 /nfs/dbraw/zinc/37/45/86/1049374586.db2.gz YIUQVFRUCIRXFS-OQHSHRKDSA-N 1 0 336.483 4.163 20 30 EIEDRO CC(C)OCCO[NH+]=Cc1cc2ccccc2nc1N1CCCCC1 ZINC000812238814 1049395082 /nfs/dbraw/zinc/39/50/82/1049395082.db2.gz HAZXHJBSIQGPEN-UHFFFAOYSA-N 1 0 341.455 4.001 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000773008356 1049520721 /nfs/dbraw/zinc/52/07/21/1049520721.db2.gz KOVZDUZAUGFPLH-IFXJQAMLSA-N 1 0 349.833 4.341 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2COc3c2cccc3Cl)cc1 ZINC000773039993 1049547639 /nfs/dbraw/zinc/54/76/39/1049547639.db2.gz HRCMPRFRALXOMT-UGSOOPFHSA-N 1 0 327.811 4.136 20 30 EIEDRO Cc1cc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)ccc1Cl ZINC000812738419 1049556649 /nfs/dbraw/zinc/55/66/49/1049556649.db2.gz RQEPTIOCLUCARX-OAHLLOKOSA-N 1 0 328.843 4.444 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)cc1C#N ZINC000773078327 1049568149 /nfs/dbraw/zinc/56/81/49/1049568149.db2.gz WAKFQJZTQDWIQI-SFHVURJKSA-N 1 0 326.827 4.387 20 30 EIEDRO CC(C)c1nccnc1N=NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000773077965 1049569167 /nfs/dbraw/zinc/56/91/67/1049569167.db2.gz KHSFQLIMVZJVJN-RDJZCZTQSA-N 1 0 329.492 4.042 20 30 EIEDRO CC(C)c1nccnc1N=NC1CCCC[C@@H]1[NH+]1CCCCCC1 ZINC000773091444 1049574733 /nfs/dbraw/zinc/57/47/33/1049574733.db2.gz OWKIHQNKGBFPPW-KRWDZBQOSA-N 1 0 329.492 4.187 20 30 EIEDRO C#CC[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000773117862 1049588408 /nfs/dbraw/zinc/58/84/08/1049588408.db2.gz XQCFRJCTTWELPM-HSZRJFAPSA-N 1 0 347.506 4.076 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000773116971 1049588610 /nfs/dbraw/zinc/58/86/10/1049588610.db2.gz SNDAIBUCEWEHNY-KXBFYZLASA-N 1 0 340.854 4.411 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000773116188 1049588625 /nfs/dbraw/zinc/58/86/25/1049588625.db2.gz QJIHSNWFTFSRKF-DYESRHJHSA-N 1 0 334.463 4.375 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000773116191 1049588851 /nfs/dbraw/zinc/58/88/51/1049588851.db2.gz QJIHSNWFTFSRKF-UTKZUKDTSA-N 1 0 334.463 4.375 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000821022987 1049589664 /nfs/dbraw/zinc/58/96/64/1049589664.db2.gz WWVXOQUXAWBYCY-CLFYSBASSA-N 1 0 344.798 4.206 20 30 EIEDRO C#CC[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1ccccc1 ZINC000773113865 1049590658 /nfs/dbraw/zinc/59/06/58/1049590658.db2.gz GGWKFODBAUBHOL-HXUWFJFHSA-N 1 0 340.417 4.288 20 30 EIEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cc(C#N)ccn1 ZINC001171399261 1049615667 /nfs/dbraw/zinc/61/56/67/1049615667.db2.gz CHRDSBDVVKCXAF-UHFFFAOYSA-N 1 0 333.357 4.037 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853862 1049617353 /nfs/dbraw/zinc/61/73/53/1049617353.db2.gz TWHLNGMQILVXHC-IFXJQAMLSA-N 1 0 328.843 4.156 20 30 EIEDRO C[C@H](C#N)OCC[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000812890733 1049620830 /nfs/dbraw/zinc/62/08/30/1049620830.db2.gz WTVHDIFMXAYIGQ-GFCCVEGCSA-N 1 0 327.255 4.101 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171423060 1049661424 /nfs/dbraw/zinc/66/14/24/1049661424.db2.gz XDINIZYHVZOZCJ-IBGZPJMESA-N 1 0 334.438 4.240 20 30 EIEDRO Cc1cc(C#N)ccc1Nc1ccc(Br)c2c1C[NH2+]CC2 ZINC001159942092 1049683634 /nfs/dbraw/zinc/68/36/34/1049683634.db2.gz UOQCRMSPNDXXJG-UHFFFAOYSA-N 1 0 342.240 4.019 20 30 EIEDRO N#CCc1ccc(N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000716731507 1049702891 /nfs/dbraw/zinc/70/28/91/1049702891.db2.gz KKBDTSMHLRUCGD-BVSLBCMMSA-N 1 0 331.463 4.218 20 30 EIEDRO C=C(Br)C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179691733 1049722260 /nfs/dbraw/zinc/72/22/60/1049722260.db2.gz WEHROHCMBFJBCI-CQSZACIVSA-N 1 0 347.256 4.220 20 30 EIEDRO N#Cc1cccc(OCC[NH+]2CCC(c3cccc(F)c3F)CC2)c1 ZINC001171533237 1049734872 /nfs/dbraw/zinc/73/48/72/1049734872.db2.gz RVKHXHHBKVRQHB-UHFFFAOYSA-N 1 0 342.389 4.095 20 30 EIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c4C3)CC2)cc1 ZINC001171517581 1049746481 /nfs/dbraw/zinc/74/64/81/1049746481.db2.gz OYFFPTFCEBNNKE-OAHLLOKOSA-N 1 0 342.364 4.112 20 30 EIEDRO C#CCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171592862 1049752439 /nfs/dbraw/zinc/75/24/39/1049752439.db2.gz GLOZQYSLASHLHO-SJORKVTESA-N 1 0 336.520 4.194 20 30 EIEDRO CC[N@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171602887 1049764794 /nfs/dbraw/zinc/76/47/94/1049764794.db2.gz AFIGXWIRBHOSJA-HOTGVXAUSA-N 1 0 337.508 4.036 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)C1 ZINC001171615491 1049766532 /nfs/dbraw/zinc/76/65/32/1049766532.db2.gz WTCDKXMODDDRCO-FGTMMUONSA-N 1 0 348.531 4.146 20 30 EIEDRO CCCCN(C(=O)c1cccc(C#N)c1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000068225409 1049784305 /nfs/dbraw/zinc/78/43/05/1049784305.db2.gz YWICXXBKCPEZFV-UHFFFAOYSA-N 1 0 341.499 4.110 20 30 EIEDRO CC(C)c1ccc2c(c1)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC001171820042 1049802836 /nfs/dbraw/zinc/80/28/36/1049802836.db2.gz KOPJONSUNPZCSY-UHFFFAOYSA-N 1 0 347.462 4.069 20 30 EIEDRO CC[C@@H]1C[C@H]([NH+]2CCC(C#N)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171821766 1049802883 /nfs/dbraw/zinc/80/28/83/1049802883.db2.gz YYIYAYUHKDLCLX-PIIMJCKOSA-N 1 0 349.519 4.179 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC001171847762 1049813695 /nfs/dbraw/zinc/81/36/95/1049813695.db2.gz RNSKKEBKZFDZTH-ZDUSSCGKSA-N 1 0 342.252 4.255 20 30 EIEDRO CC1(C)CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 ZINC001171882107 1049814906 /nfs/dbraw/zinc/81/49/06/1049814906.db2.gz IDOMCCMEAQEXHI-UHFFFAOYSA-N 1 0 327.472 4.035 20 30 EIEDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC001171917018 1049819274 /nfs/dbraw/zinc/81/92/74/1049819274.db2.gz SCGWQWWHUNQNML-CQSZACIVSA-N 1 0 344.503 4.151 20 30 EIEDRO CCC#C[C@@H](C)[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001171916378 1049819389 /nfs/dbraw/zinc/81/93/89/1049819389.db2.gz MEXZSCUPXOLBGS-IEBWSBKVSA-N 1 0 348.531 4.147 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000813884837 1049831375 /nfs/dbraw/zinc/83/13/75/1049831375.db2.gz LSTRWOKNYOONBX-AVYPCKFXSA-N 1 0 341.476 4.113 20 30 EIEDRO CC(C)C[C@](C)(C#N)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978881 1049838361 /nfs/dbraw/zinc/83/83/61/1049838361.db2.gz MNNCVAHNOBVRKJ-TZIWHRDSSA-N 1 0 327.516 4.348 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCCC#N)CC12CCCCC2 ZINC001172050834 1049843388 /nfs/dbraw/zinc/84/33/88/1049843388.db2.gz ZPZDXIZNSWOEFH-QGZVFWFLSA-N 1 0 349.519 4.372 20 30 EIEDRO CCC[C@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071515 1049845574 /nfs/dbraw/zinc/84/55/74/1049845574.db2.gz XGPCYWWDTDBPJF-MXEMCNAFSA-N 1 0 325.500 4.244 20 30 EIEDRO C#CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)CCCCC1 ZINC001172091833 1049849151 /nfs/dbraw/zinc/84/91/51/1049849151.db2.gz ZJECJHACGBJRNE-NNZMDNLPSA-N 1 0 346.515 4.233 20 30 EIEDRO N#CC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC001172064649 1049851405 /nfs/dbraw/zinc/85/14/05/1049851405.db2.gz IMKUTTXHWIXQPT-WKCHPHFGSA-N 1 0 337.511 4.388 20 30 EIEDRO N#Cc1ccccc1OCCC[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171022186 1049863335 /nfs/dbraw/zinc/86/33/35/1049863335.db2.gz JLOLOGVEUDMXTH-QGZVFWFLSA-N 1 0 340.854 4.128 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172195158 1049868572 /nfs/dbraw/zinc/86/85/72/1049868572.db2.gz ZLOMSRAVOZLGRM-IBGZPJMESA-N 1 0 334.488 4.261 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C(F)(F)F)cc1F ZINC001172302589 1049872930 /nfs/dbraw/zinc/87/29/30/1049872930.db2.gz MJYDJBBJOHLLDH-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO COc1ccccc1CC(C)(C)C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172300644 1049873328 /nfs/dbraw/zinc/87/33/28/1049873328.db2.gz ZIDDMRQXFHBCLU-QGZVFWFLSA-N 1 0 336.479 4.356 20 30 EIEDRO Cc1ccccc1OC1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172306904 1049873637 /nfs/dbraw/zinc/87/36/37/1049873637.db2.gz BISUFEHYTDRZNR-GOSISDBHSA-N 1 0 334.463 4.341 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(Br)s1 ZINC001172304358 1049873788 /nfs/dbraw/zinc/87/37/88/1049873788.db2.gz KHSJSHROZDMHBX-LBPRGKRZSA-N 1 0 349.297 4.146 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(CC2CCC2)CCOCC1 ZINC001172303908 1049874118 /nfs/dbraw/zinc/87/41/18/1049874118.db2.gz FVDQEUQTDKIJSF-KRWDZBQOSA-N 1 0 326.484 4.066 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCOc2ccc(Cl)cc21 ZINC001172307081 1049874877 /nfs/dbraw/zinc/87/48/77/1049874877.db2.gz BMJJAFSQADNZCY-UGSOOPFHSA-N 1 0 326.827 4.256 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001172318735 1049876485 /nfs/dbraw/zinc/87/64/85/1049876485.db2.gz HYMGMXXSUWZUMK-OXJNMPFZSA-N 1 0 337.492 4.141 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(n2cnc3ccccc32)CC1 ZINC001172317407 1049876705 /nfs/dbraw/zinc/87/67/05/1049876705.db2.gz RBDHQNLXRHRFTA-KRWDZBQOSA-N 1 0 344.462 4.176 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001172319367 1049877207 /nfs/dbraw/zinc/87/72/07/1049877207.db2.gz NLDIXOHZWCQAGZ-YZZKKUAISA-N 1 0 348.490 4.495 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(OCC#N)cc1 ZINC000823830882 1049878643 /nfs/dbraw/zinc/87/86/43/1049878643.db2.gz ICVAGYJNJLPUJU-MEDUHNTESA-N 1 0 346.352 4.344 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(C(F)(F)F)c1F ZINC001172289447 1049880825 /nfs/dbraw/zinc/88/08/25/1049880825.db2.gz CYQBDWURXIJISM-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001172290718 1049881074 /nfs/dbraw/zinc/88/10/74/1049881074.db2.gz RSQLMKWVTVUOAE-OAHLLOKOSA-N 1 0 333.460 4.403 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(Br)cc1 ZINC001172290720 1049881083 /nfs/dbraw/zinc/88/10/83/1049881083.db2.gz RUTSSYNYZFRGRC-CQSZACIVSA-N 1 0 343.268 4.084 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](CC)C2CCCC2)ccc1OC ZINC000823848058 1049881226 /nfs/dbraw/zinc/88/12/26/1049881226.db2.gz PQJXTRZNXZASKX-MSOLQXFVSA-N 1 0 330.472 4.435 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCC23CCC3)ccc1OC ZINC000823848362 1049881462 /nfs/dbraw/zinc/88/14/62/1049881462.db2.gz UTTNWHOZNXCFQA-APWZRJJASA-N 1 0 328.456 4.189 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001172295846 1049881852 /nfs/dbraw/zinc/88/18/52/1049881852.db2.gz UZQSEEIFPRXCIT-SFHVURJKSA-N 1 0 333.479 4.269 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001172294206 1049882002 /nfs/dbraw/zinc/88/20/02/1049882002.db2.gz GOFRHEKETQXTQY-PWHSHALESA-N 1 0 347.506 4.132 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC001172296946 1049883085 /nfs/dbraw/zinc/88/30/85/1049883085.db2.gz LIUYRPXHKMIQIW-LBPRGKRZSA-N 1 0 333.357 4.079 20 30 EIEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172378969 1049886191 /nfs/dbraw/zinc/88/61/91/1049886191.db2.gz MXVPUQDRKBEXID-SOLBZPMBSA-N 1 0 342.483 4.235 20 30 EIEDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000180372770 1049888377 /nfs/dbraw/zinc/88/83/77/1049888377.db2.gz FDUUKHYIGCIIRB-QSFXBCCZSA-N 1 0 330.472 4.051 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH+]1CCN(CCc2ccncc2)CC1 ZINC001172354869 1049893327 /nfs/dbraw/zinc/89/33/27/1049893327.db2.gz KZVVRDHXMWTJQG-OAQYLSRUSA-N 1 0 331.548 4.381 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001172357640 1049893925 /nfs/dbraw/zinc/89/39/25/1049893925.db2.gz LFCOTNMBJQOOCP-RBUKOAKNSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(NC(=O)C(F)(F)F)CC1 ZINC001172355078 1049894398 /nfs/dbraw/zinc/89/43/98/1049894398.db2.gz MOVYZZTVSRCXEI-OAHLLOKOSA-N 1 0 336.442 4.268 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001172358806 1049895472 /nfs/dbraw/zinc/89/54/72/1049895472.db2.gz SDIOHVFIZVCWOI-ROUUACIJSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(c2cc(C)ncn2)CC1 ZINC001172359353 1049895627 /nfs/dbraw/zinc/89/56/27/1049895627.db2.gz WBKUTZPEWHOMQZ-SFHVURJKSA-N 1 0 332.536 4.483 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccc(S(=O)(=O)CC)nc1 ZINC001172361546 1049895661 /nfs/dbraw/zinc/89/56/61/1049895661.db2.gz NXFHOSZUNNWLEB-QGZVFWFLSA-N 1 0 340.533 4.104 20 30 EIEDRO CCOCC[C@H](C)[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001172426963 1049901633 /nfs/dbraw/zinc/90/16/33/1049901633.db2.gz KCOVIIGKNZHIQB-SFHVURJKSA-N 1 0 347.462 4.247 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)cc1 ZINC000180445314 1049902079 /nfs/dbraw/zinc/90/20/79/1049902079.db2.gz BNOCBMYQKGLIJG-FQEVSTJZSA-N 1 0 339.410 4.231 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000824176106 1049903594 /nfs/dbraw/zinc/90/35/94/1049903594.db2.gz ITWGMVURRDONNB-ORFBVSJDSA-N 1 0 334.463 4.449 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172477060 1049909961 /nfs/dbraw/zinc/90/99/61/1049909961.db2.gz UKKULAPXIQZLFO-MRXNPFEDSA-N 1 0 337.508 4.086 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CSc2ccc(Br)cc2C1 ZINC001172490813 1049921065 /nfs/dbraw/zinc/92/10/65/1049921065.db2.gz LDHLUUNQEOHYHX-FZMZJTMJSA-N 1 0 339.302 4.138 20 30 EIEDRO C[C@H](CCCC#N)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001172491861 1049921423 /nfs/dbraw/zinc/92/14/23/1049921423.db2.gz KEGIOHABIQSAFK-CQSZACIVSA-N 1 0 339.405 4.038 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001172496316 1049921806 /nfs/dbraw/zinc/92/18/06/1049921806.db2.gz LYFDZOMGWDACOJ-YLJYHZDGSA-N 1 0 349.519 4.324 20 30 EIEDRO Cc1cccc(C)c1NC(=O)[C@H]1CCCC[N@H+]1[C@@H](C)CCCC#N ZINC001172491881 1049921814 /nfs/dbraw/zinc/92/18/14/1049921814.db2.gz HKHPQUSMZMXEDB-ZWKOTPCHSA-N 1 0 327.472 4.179 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001172496214 1049922027 /nfs/dbraw/zinc/92/20/27/1049922027.db2.gz KVWJJZLOUWANDZ-PXNSSMCTSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CCc1c(-c2ccccc2)nc2ccccn21 ZINC001172492822 1049922115 /nfs/dbraw/zinc/92/21/15/1049922115.db2.gz UVYWSCHLNFNGCY-KRWDZBQOSA-N 1 0 332.451 4.216 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172495496 1049922301 /nfs/dbraw/zinc/92/23/01/1049922301.db2.gz FILPZMAGUIVZSM-FXAWDEMLSA-N 1 0 349.519 4.182 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001172501511 1049923482 /nfs/dbraw/zinc/92/34/82/1049923482.db2.gz CYNAWQFESHTFJG-WOJBJXKFSA-N 1 0 345.531 4.415 20 30 EIEDRO C[C@H](CCCC#N)[N@H+](C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172504650 1049924219 /nfs/dbraw/zinc/92/42/19/1049924219.db2.gz HOGPHICPJVKGGN-SJLPKXTDSA-N 1 0 349.519 4.323 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCC(c2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001172506312 1049925318 /nfs/dbraw/zinc/92/53/18/1049925318.db2.gz RAPXSDKVGLGWGI-QGZVFWFLSA-N 1 0 336.483 4.349 20 30 EIEDRO CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001172510969 1049927111 /nfs/dbraw/zinc/92/71/11/1049927111.db2.gz KVYLDKGPZRFRTF-WSTZPKSXSA-N 1 0 349.519 4.107 20 30 EIEDRO N#Cc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001172563665 1049934820 /nfs/dbraw/zinc/93/48/20/1049934820.db2.gz MFWJWOVXCHLDHE-IFMALSPDSA-N 1 0 331.463 4.017 20 30 EIEDRO CCCCCCCCCCCC[C@H](C)[NH2+]C1(C(N)=O)CCOCC1 ZINC001172564523 1049935689 /nfs/dbraw/zinc/93/56/89/1049935689.db2.gz IBFYAIGQVVZGKD-SFHVURJKSA-N 1 0 340.552 4.310 20 30 EIEDRO CC(C)Oc1cc(F)ccc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001212290474 1049954244 /nfs/dbraw/zinc/95/42/44/1049954244.db2.gz VCNHCAGWGSRSRY-UHFFFAOYSA-N 1 0 345.443 4.278 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172718076 1049963826 /nfs/dbraw/zinc/96/38/26/1049963826.db2.gz FVOFGRRQLJMHEQ-HXUWFJFHSA-N 1 0 336.866 4.365 20 30 EIEDRO CC(C)Oc1cccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1F ZINC001212318132 1050030330 /nfs/dbraw/zinc/03/03/30/1050030330.db2.gz PPDSOOIUFMJDBO-UHFFFAOYSA-N 1 0 345.443 4.278 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000181287861 1050083290 /nfs/dbraw/zinc/08/32/90/1050083290.db2.gz FEYOUTSSMAZMTC-KRWDZBQOSA-N 1 0 343.430 4.350 20 30 EIEDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000181417243 1050120272 /nfs/dbraw/zinc/12/02/72/1050120272.db2.gz NWLBXGQMMJIVAJ-VFNWGFHPSA-N 1 0 336.435 4.377 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000181417173 1050120757 /nfs/dbraw/zinc/12/07/57/1050120757.db2.gz CLOTYXMBPGLZJO-QVKFZJNVSA-N 1 0 336.435 4.377 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC001127628511 1050123191 /nfs/dbraw/zinc/12/31/91/1050123191.db2.gz QBCWSJAYICWNAF-UHFFFAOYSA-N 1 0 347.462 4.064 20 30 EIEDRO N#Cc1cc(Cl)ccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000196600964 1050207247 /nfs/dbraw/zinc/20/72/47/1050207247.db2.gz WESISXVVISWEIW-UHFFFAOYSA-N 1 0 325.843 4.288 20 30 EIEDRO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909187 1050207653 /nfs/dbraw/zinc/20/76/53/1050207653.db2.gz PZZAQWVDFGBWIH-HXUWFJFHSA-N 1 0 349.434 4.258 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(OCC)cc3)CCOCC2)C1 ZINC001177459789 1050214866 /nfs/dbraw/zinc/21/48/66/1050214866.db2.gz YZQXSOWETWXWAT-QUCCMNQESA-N 1 0 343.511 4.468 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3ccc(C#N)c(F)c3F)cc2)CC1 ZINC001212691169 1050222310 /nfs/dbraw/zinc/22/23/10/1050222310.db2.gz CCDFJAXWIOWWRL-UHFFFAOYSA-N 1 0 327.378 4.389 20 30 EIEDRO C[C@@H](CC1CCCCC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981233 1050254758 /nfs/dbraw/zinc/25/47/58/1050254758.db2.gz KTFIQLXYTOJXMV-SZMVWBNQSA-N 1 0 349.519 4.227 20 30 EIEDRO N#Cc1ccc(Br)c(C[NH2+]CCCc2cccc(F)c2)c1 ZINC001177683319 1050276207 /nfs/dbraw/zinc/27/62/07/1050276207.db2.gz ADJIUMJAQWUXEH-UHFFFAOYSA-N 1 0 347.231 4.182 20 30 EIEDRO CCC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC001177657858 1050279149 /nfs/dbraw/zinc/27/91/49/1050279149.db2.gz QQYIATIQKXDVGB-GHTZIAJQSA-N 1 0 325.500 4.476 20 30 EIEDRO C#CCCC1(CC[NH2+][C@H](C)Cc2ccc(OC(F)(F)F)cc2)N=N1 ZINC001173091271 1050283472 /nfs/dbraw/zinc/28/34/72/1050283472.db2.gz RNGOXGRPDDKAHB-CYBMUJFWSA-N 1 0 339.361 4.071 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000775001858 1050288997 /nfs/dbraw/zinc/28/89/97/1050288997.db2.gz QLTGPAQDNZKUKI-ZDUSSCGKSA-N 1 0 329.241 4.480 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001173086183 1050299979 /nfs/dbraw/zinc/29/99/79/1050299979.db2.gz MRTJQXPQGLYVDL-AEGPPILISA-N 1 0 326.362 4.188 20 30 EIEDRO CC[NH+](CC)C1CCC(N[C@@](C)(C#N)c2ccccc2Cl)CC1 ZINC001173104279 1050304549 /nfs/dbraw/zinc/30/45/49/1050304549.db2.gz MAUXMMQLOWBIAY-RJYAGPCLSA-N 1 0 333.907 4.321 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC001177875776 1050311313 /nfs/dbraw/zinc/31/13/13/1050311313.db2.gz RJHLDGJGGWVFCI-KRWDZBQOSA-N 1 0 325.452 4.371 20 30 EIEDRO C=CC[C@H]([NH2+]Cc1cn(-c2ccc(C)cc2)nc1C)c1ccncc1 ZINC001177885380 1050318696 /nfs/dbraw/zinc/31/86/96/1050318696.db2.gz PVNSCFNJHRMHLY-NRFANRHFSA-N 1 0 332.451 4.291 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1cccc(OCc2ccccc2)c1 ZINC000618313843 1050337682 /nfs/dbraw/zinc/33/76/82/1050337682.db2.gz LTRGUZDDWKMKPT-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1cccc(OCc2ccccc2)c1 ZINC000618312209 1050338036 /nfs/dbraw/zinc/33/80/36/1050338036.db2.gz LTRGUZDDWKMKPT-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO COc1ccc([C@@H](C)CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181813260 1050342615 /nfs/dbraw/zinc/34/26/15/1050342615.db2.gz DWGMQPJUSACFAU-IRXDYDNUSA-N 1 0 338.451 4.442 20 30 EIEDRO [NH2+]=C(NC1CCC(Oc2ccccc2)CC1)c1ccc2ccccc2n1 ZINC001173200544 1050344251 /nfs/dbraw/zinc/34/42/51/1050344251.db2.gz OTTXFQBYRORESE-UHFFFAOYSA-N 1 0 345.446 4.330 20 30 EIEDRO C#CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC001173226563 1050357880 /nfs/dbraw/zinc/35/78/80/1050357880.db2.gz KKQVNLHGJZDHMQ-HRAATJIYSA-N 1 0 334.419 4.149 20 30 EIEDRO CCc1ccc(C[C@@H](C)n2cc(CC[NH3+])c3cc(C#N)ccc32)cc1 ZINC001173243069 1050395812 /nfs/dbraw/zinc/39/58/12/1050395812.db2.gz ZBIHKMJOYZDZDE-MRXNPFEDSA-N 1 0 331.463 4.380 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](Cc3ccc(OC)cc3)C2)CC1 ZINC001173323140 1050415223 /nfs/dbraw/zinc/41/52/23/1050415223.db2.gz QLWJWZZDQRMXJH-VRKFHHGPSA-N 1 0 343.511 4.464 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cncc(Br)c1C)c1ccccc1 ZINC001178223147 1050415295 /nfs/dbraw/zinc/41/52/95/1050415295.db2.gz PLPCDWINQTUZCL-QGZVFWFLSA-N 1 0 329.241 4.007 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCSC[C@H]2c2cccc(OC)c2)CC1 ZINC001173323369 1050416244 /nfs/dbraw/zinc/41/62/44/1050416244.db2.gz FAATYPKOMBMJDC-QLOJAFMTSA-N 1 0 347.524 4.299 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(Oc3cccc(C)c3)CC2)CC1 ZINC001173327025 1050417433 /nfs/dbraw/zinc/41/74/33/1050417433.db2.gz ZSCLWXVMIYASEZ-UHFFFAOYSA-N 1 0 329.484 4.352 20 30 EIEDRO CC[C@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1 ZINC000618569069 1050419090 /nfs/dbraw/zinc/41/90/90/1050419090.db2.gz CZNKROVZTAXGFQ-LEWJYISDSA-N 1 0 330.435 4.237 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001173329545 1050419494 /nfs/dbraw/zinc/41/94/94/1050419494.db2.gz GDSNSQQVCCNJTD-LNTUIOFPSA-N 1 0 327.255 4.089 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173329888 1050420013 /nfs/dbraw/zinc/42/00/13/1050420013.db2.gz OWLNYCIBTUIXQU-ADKAHSJRSA-N 1 0 349.519 4.086 20 30 EIEDRO N#CCC1CCC(n2c(CCC[NH3+])nc3ccc(Cl)cc32)CC1 ZINC001173330223 1050420832 /nfs/dbraw/zinc/42/08/32/1050420832.db2.gz YZOLDTXDJZAINV-UHFFFAOYSA-N 1 0 330.863 4.226 20 30 EIEDRO C[C@@H]1C[N@@H+](C2CCC(CC#N)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001173331337 1050422282 /nfs/dbraw/zinc/42/22/82/1050422282.db2.gz OLEVKKBBJTZNBL-JJYICEPISA-N 1 0 325.500 4.054 20 30 EIEDRO N#CCC1CCC([N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)CC1 ZINC001173332825 1050423187 /nfs/dbraw/zinc/42/31/87/1050423187.db2.gz GWCYOGIYWIIORZ-UHFFFAOYSA-N 1 0 346.478 4.017 20 30 EIEDRO COc1cc(Cl)cc([C@@H](C)[NH2+]C2CCC(CC#N)CC2)c1OC ZINC001173334264 1050424073 /nfs/dbraw/zinc/42/40/73/1050424073.db2.gz OTKRDWFPBCMYHC-DNOWBOINSA-N 1 0 336.863 4.480 20 30 EIEDRO C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@H+](C)C1CCC(CC#N)CC1 ZINC001173338161 1050424213 /nfs/dbraw/zinc/42/42/13/1050424213.db2.gz ACQGYOOJDAZDFI-PZKJRENSSA-N 1 0 339.527 4.301 20 30 EIEDRO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@H+](C)C1CCC(CC#N)CC1 ZINC001173336472 1050425047 /nfs/dbraw/zinc/42/50/47/1050425047.db2.gz ACQGYOOJDAZDFI-JBFBMEKISA-N 1 0 339.527 4.301 20 30 EIEDRO N#CCC1CCC([N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001173336846 1050425223 /nfs/dbraw/zinc/42/52/23/1050425223.db2.gz OLBKVYFCIUFFSL-KITAHSCOSA-N 1 0 337.511 4.199 20 30 EIEDRO N#CCC1CCC([NH2+][C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001173334327 1050425511 /nfs/dbraw/zinc/42/55/11/1050425511.db2.gz VKDSIEWYJVCJIZ-SYGMWZTRSA-N 1 0 347.300 4.368 20 30 EIEDRO Cc1cc2ccccc2nc1N1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337865 1050427498 /nfs/dbraw/zinc/42/74/98/1050427498.db2.gz UTPASZLHOKXAAW-UHFFFAOYSA-N 1 0 348.494 4.138 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3nc(C)sc32)cc1OC ZINC001178285178 1050428537 /nfs/dbraw/zinc/42/85/37/1050428537.db2.gz MHNQRHLFBVOXJO-OAHLLOKOSA-N 1 0 344.480 4.192 20 30 EIEDRO COc1ccccc1OC1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337523 1050428589 /nfs/dbraw/zinc/42/85/89/1050428589.db2.gz NEFRBQWBNYPJHE-UHFFFAOYSA-N 1 0 328.456 4.011 20 30 EIEDRO CCC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173340851 1050429881 /nfs/dbraw/zinc/42/98/81/1050429881.db2.gz MODZCENETTZVIV-DAWZGUTISA-N 1 0 349.519 4.180 20 30 EIEDRO C=CCOC1CCC(n2c3ccc(F)cc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001173316331 1050439565 /nfs/dbraw/zinc/43/95/65/1050439565.db2.gz GRMTUTYXWBIJSQ-KLAILNCOSA-N 1 0 342.458 4.283 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2c(Cl)ccc(C)c2F)CC1 ZINC001173315922 1050439813 /nfs/dbraw/zinc/43/98/13/1050439813.db2.gz BWQMZZCGDOCOPS-UHFFFAOYSA-N 1 0 325.855 4.433 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(COc3ccccc3)CC2)CC1 ZINC001173320045 1050441221 /nfs/dbraw/zinc/44/12/21/1050441221.db2.gz FXZRTGGWSDBXTQ-UHFFFAOYSA-N 1 0 329.484 4.291 20 30 EIEDRO C=CCOC1CCC(n2cc(CC[NH3+])c3c2cccc3Cl)CC1 ZINC001173318286 1050441329 /nfs/dbraw/zinc/44/13/29/1050441329.db2.gz YSYKOVIAJAKYGZ-UHFFFAOYSA-N 1 0 332.875 4.482 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC001173320404 1050441786 /nfs/dbraw/zinc/44/17/86/1050441786.db2.gz MZAJKVWSRRYZLA-UHFFFAOYSA-N 1 0 333.447 4.183 20 30 EIEDRO CC[N@@H+]1CC[C@@H](N(Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)C1 ZINC001173368413 1050442963 /nfs/dbraw/zinc/44/29/63/1050442963.db2.gz PKPQURJAUGAHFD-XMSQKQJNSA-N 1 0 333.479 4.216 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3cc(O)ccc3C2)CC1 ZINC000618615618 1050443645 /nfs/dbraw/zinc/44/36/45/1050443645.db2.gz GBQFMBHZJWKUAK-WQMHRJNTSA-N 1 0 346.474 4.243 20 30 EIEDRO C=C(C)CNC(=O)C[C@@H]1C[N@H+](C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC001186946134 1050450654 /nfs/dbraw/zinc/45/06/54/1050450654.db2.gz BVAMIDGAACYVFS-WIYYLYMNSA-N 1 0 348.490 4.179 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000182090462 1050460912 /nfs/dbraw/zinc/46/09/12/1050460912.db2.gz XQSVMXANVFGLCH-HOTGVXAUSA-N 1 0 338.451 4.105 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC000775071450 1050463291 /nfs/dbraw/zinc/46/32/91/1050463291.db2.gz AIOFZXIFYWKUIE-MRXNPFEDSA-N 1 0 340.414 4.086 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1ccc(-c2ccccc2Cl)s1)[C@@H]1CCCO1 ZINC001178527650 1050491649 /nfs/dbraw/zinc/49/16/49/1050491649.db2.gz DOGGQQWEJCAODP-SJORKVTESA-N 1 0 331.868 4.339 20 30 EIEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586503 1050493202 /nfs/dbraw/zinc/49/32/02/1050493202.db2.gz ACFVRBPERPTMQY-RPTYLJJZSA-N 1 0 349.519 4.084 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC1 ZINC001173589818 1050494653 /nfs/dbraw/zinc/49/46/53/1050494653.db2.gz LUTZXWHGQUOVHY-UHFFFAOYSA-N 1 0 330.325 4.286 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](Cc2ccccc2)c2nccs2)CC1 ZINC001173588984 1050495262 /nfs/dbraw/zinc/49/52/62/1050495262.db2.gz UAMKJEBVDHVADW-HFCFLWKCSA-N 1 0 325.481 4.489 20 30 EIEDRO CC1(C#N)CCC([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC001173591823 1050497203 /nfs/dbraw/zinc/49/72/03/1050497203.db2.gz ZNLADRQEUVIZJT-UHFFFAOYSA-N 1 0 332.875 4.408 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(F)ccc1N(C)C[C@@H](C)CC ZINC001178584660 1050499098 /nfs/dbraw/zinc/49/90/98/1050499098.db2.gz NLJKGMPYYMAEGF-FIKGOQFSSA-N 1 0 348.506 4.379 20 30 EIEDRO COc1cccc(OCC2CC[NH+](C3CCC(C)(C#N)CC3)CC2)c1 ZINC001173598276 1050499547 /nfs/dbraw/zinc/49/95/47/1050499547.db2.gz OMGCECOPJVERBW-UHFFFAOYSA-N 1 0 342.483 4.258 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000618741636 1050500030 /nfs/dbraw/zinc/50/00/30/1050500030.db2.gz IFOXOKGSIPFWSD-QFIPXVFZSA-N 1 0 325.415 4.397 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001173599441 1050500062 /nfs/dbraw/zinc/50/00/62/1050500062.db2.gz LOMFZMKWQBLOBL-UHFFFAOYSA-N 1 0 346.421 4.332 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCc3ccc(Br)cc3C2)CC1 ZINC001173596781 1050500227 /nfs/dbraw/zinc/50/02/27/1050500227.db2.gz CJQDKPHEMFNSEF-UHFFFAOYSA-N 1 0 333.273 4.280 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c(Cl)c1OC ZINC000618742460 1050500661 /nfs/dbraw/zinc/50/06/61/1050500661.db2.gz YYULFYAJZRDVIN-INIZCTEOSA-N 1 0 342.826 4.006 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000618741213 1050501478 /nfs/dbraw/zinc/50/14/78/1050501478.db2.gz BVFJZXBHOWOSHG-HXUWFJFHSA-N 1 0 348.446 4.299 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1sccc1Br ZINC000618741370 1050501569 /nfs/dbraw/zinc/50/15/69/1050501569.db2.gz FPSWKPGDAXCZJM-CQSZACIVSA-N 1 0 333.254 4.159 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000618743047 1050503317 /nfs/dbraw/zinc/50/33/17/1050503317.db2.gz VCGWBQNWLYWWON-QFIPXVFZSA-N 1 0 325.415 4.397 20 30 EIEDRO C=CCCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001178628760 1050521177 /nfs/dbraw/zinc/52/11/77/1050521177.db2.gz DLSPGDHVGZICRM-UHFFFAOYSA-N 1 0 325.412 4.419 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)CC3 ZINC000618802818 1050533353 /nfs/dbraw/zinc/53/33/53/1050533353.db2.gz FXLKPBDWMPPWCM-UWJYYQICSA-N 1 0 341.458 4.482 20 30 EIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805449 1050533691 /nfs/dbraw/zinc/53/36/91/1050533691.db2.gz OGZMQAOTVJDYGA-OYHNWAKOSA-N 1 0 342.446 4.391 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cnn(Cc2ccccc2)c1 ZINC000618807756 1050536051 /nfs/dbraw/zinc/53/60/51/1050536051.db2.gz WHWDLKQUPOHPRG-AOMKIAJQSA-N 1 0 342.446 4.141 20 30 EIEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618807156 1050537309 /nfs/dbraw/zinc/53/73/09/1050537309.db2.gz SUVVUELKMNYJFV-AUUYWEPGSA-N 1 0 335.407 4.065 20 30 EIEDRO CC[N@H+](CCC#N)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173708350 1050549987 /nfs/dbraw/zinc/54/99/87/1050549987.db2.gz IBKRXBIYUXXTHG-OAQYLSRUSA-N 1 0 334.463 4.358 20 30 EIEDRO CC[N@H+](CCC#N)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173708348 1050550793 /nfs/dbraw/zinc/55/07/93/1050550793.db2.gz IBKRXBIYUXXTHG-NRFANRHFSA-N 1 0 334.463 4.358 20 30 EIEDRO CC[C@H]1CCCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001178824377 1050563701 /nfs/dbraw/zinc/56/37/01/1050563701.db2.gz ZQEDMHZXPFZOPT-HKUYNNGSSA-N 1 0 336.483 4.265 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cccc(C(F)(F)F)c3)sc2C1 ZINC001173821317 1050565249 /nfs/dbraw/zinc/56/52/49/1050565249.db2.gz BVJVKPUYHNXATG-UHFFFAOYSA-N 1 0 337.370 4.370 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([N@@H+]3CCC[C@H](C#N)CC3)CC2)cc1 ZINC001173789570 1050572570 /nfs/dbraw/zinc/57/25/70/1050572570.db2.gz KPNQPAMAZQUOGN-ZJRDLVKKSA-N 1 0 340.467 4.264 20 30 EIEDRO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC001178945544 1050594862 /nfs/dbraw/zinc/59/48/62/1050594862.db2.gz VBXSNOOCJZOJRA-FQEVSTJZSA-N 1 0 331.463 4.476 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc1OC ZINC000093453427 1050606690 /nfs/dbraw/zinc/60/66/90/1050606690.db2.gz APSCXRJNOVPKEF-IBGZPJMESA-N 1 0 338.451 4.301 20 30 EIEDRO COc1ccc(O)c([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000182393705 1050640008 /nfs/dbraw/zinc/64/00/08/1050640008.db2.gz CHFNYSPNQJBRIO-CYBMUJFWSA-N 1 0 349.352 4.122 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(C#N)cc1OC(F)(F)F ZINC001173929942 1050650526 /nfs/dbraw/zinc/65/05/26/1050650526.db2.gz NAGXOJDXHCNCCP-UHFFFAOYSA-N 1 0 335.329 4.262 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001179216257 1050651229 /nfs/dbraw/zinc/65/12/29/1050651229.db2.gz JIVRRVQDVIIJFA-SFHVURJKSA-N 1 0 349.261 4.305 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1cc(C#N)c(F)cc1Br ZINC001173932060 1050651792 /nfs/dbraw/zinc/65/17/92/1050651792.db2.gz NCYHGCFSLWJCLC-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO C#CC[C@H](CCOC)[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001179291673 1050664315 /nfs/dbraw/zinc/66/43/15/1050664315.db2.gz UFWXNPOTMSEENW-GOSISDBHSA-N 1 0 327.399 4.136 20 30 EIEDRO C=CCCC(C)(C)C[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC001179325412 1050675802 /nfs/dbraw/zinc/67/58/02/1050675802.db2.gz YBVBMFSSXBJHCA-UHFFFAOYSA-N 1 0 333.426 4.447 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC001179343033 1050679526 /nfs/dbraw/zinc/67/95/26/1050679526.db2.gz AXKIQXXKVXZTTF-GOSISDBHSA-N 1 0 325.843 4.055 20 30 EIEDRO C#CCC[C@H](O)C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC001179488913 1050703959 /nfs/dbraw/zinc/70/39/59/1050703959.db2.gz ADRGWDGHDQMIER-ZDUSSCGKSA-N 1 0 338.234 4.117 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cccc(F)c2OC(F)(F)F)cc1C#N ZINC001179562557 1050715113 /nfs/dbraw/zinc/71/51/13/1050715113.db2.gz FMIOLYKXCXYCND-UHFFFAOYSA-N 1 0 338.304 4.194 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000619508333 1050794835 /nfs/dbraw/zinc/79/48/35/1050794835.db2.gz XLISGDYGMHGAKS-SCLBCKFNSA-N 1 0 346.434 4.258 20 30 EIEDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508420 1050797376 /nfs/dbraw/zinc/79/73/76/1050797376.db2.gz PXNVISQKOOVRCA-SFTDATJTSA-N 1 0 348.446 4.448 20 30 EIEDRO CC(C)[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccnn1C ZINC000619508723 1050797418 /nfs/dbraw/zinc/79/74/18/1050797418.db2.gz LYEBHFPTRRSKPK-PMACEKPBSA-N 1 0 336.483 4.089 20 30 EIEDRO N#Cc1ccc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000619511206 1050799629 /nfs/dbraw/zinc/79/96/29/1050799629.db2.gz ZUTKHQUTMVUSMB-IBGZPJMESA-N 1 0 325.843 4.461 20 30 EIEDRO C=CCOc1c(Cl)cc(C[N@@H+](C[C@H](C)OC)C(C)C)cc1OC ZINC001179899013 1050807110 /nfs/dbraw/zinc/80/71/10/1050807110.db2.gz XNSJAMDWDQXRSA-AWEZNQCLSA-N 1 0 341.879 4.159 20 30 EIEDRO CC1(c2cccc(Cl)c2)CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000619516697 1050808093 /nfs/dbraw/zinc/80/80/93/1050808093.db2.gz SEJLEJDYDMQNKD-UHFFFAOYSA-N 1 0 325.843 4.160 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CCCCC#N)cc1C[NH+]1CCCCC1 ZINC000182812724 1050840697 /nfs/dbraw/zinc/84/06/97/1050840697.db2.gz PEFIMDQHBNIOTG-KRWDZBQOSA-N 1 0 329.488 4.026 20 30 EIEDRO CC(C)C[N@H+](CCCC1(C#N)CCOCC1)CCc1ccc(F)cc1 ZINC000619620296 1050841824 /nfs/dbraw/zinc/84/18/24/1050841824.db2.gz KMZOFTMWMZNOKK-UHFFFAOYSA-N 1 0 346.490 4.427 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cnn(C2CCCC2)c1 ZINC000619755532 1050882830 /nfs/dbraw/zinc/88/28/30/1050882830.db2.gz KKUSNQJKGMCSIR-CYBMUJFWSA-N 1 0 328.847 4.374 20 30 EIEDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cnn1C(C)(C)C ZINC000619754557 1050883593 /nfs/dbraw/zinc/88/35/93/1050883593.db2.gz CXIWBOVEHBQGLX-LBPRGKRZSA-N 1 0 330.863 4.322 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1Cl ZINC000619749110 1050896715 /nfs/dbraw/zinc/89/67/15/1050896715.db2.gz KYNMPXHVACOLFA-MAUKXSAKSA-N 1 0 325.843 4.423 20 30 EIEDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000619785178 1050901728 /nfs/dbraw/zinc/90/17/28/1050901728.db2.gz MHLNCQGVMKLPNS-UHFFFAOYSA-N 1 0 337.423 4.070 20 30 EIEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@@](C)(c3ccccc3)C2)c1 ZINC001180161477 1050904111 /nfs/dbraw/zinc/90/41/11/1050904111.db2.gz FCLLYXHQVBCSDD-FYYLOGMGSA-N 1 0 346.474 4.049 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)Nc2c[nH+]ccc2N(C)C)c1 ZINC001189251660 1050937865 /nfs/dbraw/zinc/93/78/65/1050937865.db2.gz BLVWKYZMCMRGKO-UHFFFAOYSA-N 1 0 338.455 4.238 20 30 EIEDRO COc1cc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)ccc1C#N ZINC001180292951 1050960087 /nfs/dbraw/zinc/96/00/87/1050960087.db2.gz SBVJUZDCVJKPDX-KRWDZBQOSA-N 1 0 326.827 4.210 20 30 EIEDRO C=C(C)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC001190232216 1051134451 /nfs/dbraw/zinc/13/44/51/1051134451.db2.gz WEISNYLUWIYTQL-QFIPXVFZSA-N 1 0 348.490 4.372 20 30 EIEDRO COc1cccc(C2([NH2+]CCCOc3cccc(C#N)c3)CCC2)c1 ZINC001174818892 1051186031 /nfs/dbraw/zinc/18/60/31/1051186031.db2.gz RYNVEZQBHVEBGQ-UHFFFAOYSA-N 1 0 336.435 4.005 20 30 EIEDRO CC[C@](C)([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000775389501 1051191415 /nfs/dbraw/zinc/19/14/15/1051191415.db2.gz GAXAUIFUKHPPLX-IBGZPJMESA-N 1 0 341.480 4.090 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccccc1 ZINC000775399493 1051223335 /nfs/dbraw/zinc/22/33/35/1051223335.db2.gz HWEBWHMZHAQFLS-HXUWFJFHSA-N 1 0 328.415 4.133 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000775400466 1051227664 /nfs/dbraw/zinc/22/76/64/1051227664.db2.gz JKISGNMTJBPLEQ-QGZVFWFLSA-N 1 0 326.346 4.014 20 30 EIEDRO COCC[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@H](C)c1ccccc1 ZINC001190635282 1051241725 /nfs/dbraw/zinc/24/17/25/1051241725.db2.gz HHXYYNKLEYNTFM-OAHLLOKOSA-N 1 0 328.843 4.421 20 30 EIEDRO CC1CC[NH+](C[C@@H]2CCCN(CC#Cc3cccc(Cl)c3)C2)CC1 ZINC001190651865 1051245304 /nfs/dbraw/zinc/24/53/04/1051245304.db2.gz RRQPGRFGNNCUTK-HXUWFJFHSA-N 1 0 344.930 4.135 20 30 EIEDRO CCCOC1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCCCC1 ZINC001181514269 1051245546 /nfs/dbraw/zinc/24/55/46/1051245546.db2.gz CPNBYQPSIOUJMP-UHFFFAOYSA-N 1 0 326.484 4.461 20 30 EIEDRO C#CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000775404515 1051258216 /nfs/dbraw/zinc/25/82/16/1051258216.db2.gz PFWAIVHXDDCFPF-MSOLQXFVSA-N 1 0 334.246 4.381 20 30 EIEDRO C#CCC1([NH2+]Cc2ccc(OCCCCCC)cc2)CCOCC1 ZINC001203727449 1051274919 /nfs/dbraw/zinc/27/49/19/1051274919.db2.gz KRWDSFBIFKOOBR-UHFFFAOYSA-N 1 0 329.484 4.308 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000775411897 1051276764 /nfs/dbraw/zinc/27/67/64/1051276764.db2.gz YCGZRACCJJJDSD-SFHVURJKSA-N 1 0 341.838 4.356 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(C2(C(=O)OC)CC2)cc1)CC1CCCCC1 ZINC001190984122 1051317771 /nfs/dbraw/zinc/31/77/71/1051317771.db2.gz IEKXZUFBROIODP-UHFFFAOYSA-N 1 0 341.495 4.460 20 30 EIEDRO C=CC[C@@H](C)[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001190993805 1051321550 /nfs/dbraw/zinc/32/15/50/1051321550.db2.gz DBAJEAYZTUVRJV-CABCVRRESA-N 1 0 337.305 4.092 20 30 EIEDRO C#CCCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000773954611 1051329290 /nfs/dbraw/zinc/32/92/90/1051329290.db2.gz JTLNGUIRYYSECQ-MRXNPFEDSA-N 1 0 340.492 4.412 20 30 EIEDRO N#Cc1ccc(OCCC[NH2+]C2(c3c(F)cccc3F)CCC2)cc1 ZINC001175103192 1051351878 /nfs/dbraw/zinc/35/18/78/1051351878.db2.gz HGIQQSMRQSFFMV-UHFFFAOYSA-N 1 0 342.389 4.274 20 30 EIEDRO CCCCCCCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001191095947 1051362650 /nfs/dbraw/zinc/36/26/50/1051362650.db2.gz MIIZBKNWSIVUKT-HXUWFJFHSA-N 1 0 345.531 4.120 20 30 EIEDRO CCCCCCCNC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001191091550 1051363341 /nfs/dbraw/zinc/36/33/41/1051363341.db2.gz OTXCATBQUARKEO-UHFFFAOYSA-N 1 0 335.536 4.007 20 30 EIEDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001181999129 1051369337 /nfs/dbraw/zinc/36/93/37/1051369337.db2.gz TYAJCTLQJLZWRJ-FQEVSTJZSA-N 1 0 333.435 4.038 20 30 EIEDRO CC(C)[C@H](CO)[N@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC001191307079 1051421338 /nfs/dbraw/zinc/42/13/38/1051421338.db2.gz UNNNERTUKFBADB-FQEVSTJZSA-N 1 0 328.500 4.370 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000155633556 1051439335 /nfs/dbraw/zinc/43/93/35/1051439335.db2.gz IZWADGLHYZDIMZ-OKZBNKHCSA-N 1 0 343.515 4.194 20 30 EIEDRO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC001191426596 1051455561 /nfs/dbraw/zinc/45/55/61/1051455561.db2.gz HTUBCPABRXBMQP-FQEVSTJZSA-N 1 0 325.500 4.057 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000774139193 1051461177 /nfs/dbraw/zinc/46/11/77/1051461177.db2.gz OZJAVGYMRDIMBY-VGSWGCGISA-N 1 0 349.478 4.197 20 30 EIEDRO CO[C@H]1CC[C@H](C)[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001175301314 1051484000 /nfs/dbraw/zinc/48/40/00/1051484000.db2.gz QWNWHFFWFMCOKD-UGKGYDQZSA-N 1 0 348.490 4.386 20 30 EIEDRO CC[C@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000774169583 1051490700 /nfs/dbraw/zinc/49/07/00/1051490700.db2.gz SJWLMRXUZQQTSW-ZWKOTPCHSA-N 1 0 348.368 4.049 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000774240193 1051513540 /nfs/dbraw/zinc/51/35/40/1051513540.db2.gz IZIJNJCGBMZHMF-MSOLQXFVSA-N 1 0 348.368 4.351 20 30 EIEDRO N#Cc1cnc(Nc2ccc(C[NH+]3CCCCC3)cc2)c(Cl)c1 ZINC001175361857 1051550980 /nfs/dbraw/zinc/55/09/80/1051550980.db2.gz ZLXONGKHBBKWHE-UHFFFAOYSA-N 1 0 326.831 4.336 20 30 EIEDRO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001182442426 1051564810 /nfs/dbraw/zinc/56/48/10/1051564810.db2.gz VLDTTXPGWDWUHT-QZTJIDSGSA-N 1 0 331.504 4.021 20 30 EIEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC001191838845 1051566875 /nfs/dbraw/zinc/56/68/75/1051566875.db2.gz MGCMOYMBICVCEM-VIQWUECVSA-N 1 0 337.511 4.232 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC001191927735 1051587433 /nfs/dbraw/zinc/58/74/33/1051587433.db2.gz DECDRVNCXVWSIM-HXUWFJFHSA-N 1 0 329.447 4.462 20 30 EIEDRO N#Cc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2CC2CC2)cc1 ZINC001182557184 1051628814 /nfs/dbraw/zinc/62/88/14/1051628814.db2.gz DGWMSJUKUAJJCG-NRFANRHFSA-N 1 0 345.446 4.038 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001182532564 1051633491 /nfs/dbraw/zinc/63/34/91/1051633491.db2.gz FWAYMGUPNWTFCQ-HKUYNNGSSA-N 1 0 325.500 4.272 20 30 EIEDRO C=CCC[C@H](O)CNC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000542630643 1051645676 /nfs/dbraw/zinc/64/56/76/1051645676.db2.gz HVAYZJHXUHJEEA-KRWDZBQOSA-N 1 0 347.503 4.193 20 30 EIEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001182603941 1051656873 /nfs/dbraw/zinc/65/68/73/1051656873.db2.gz BUMFILOFUQZLEH-DLBZAZTESA-N 1 0 336.520 4.051 20 30 EIEDRO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001192213413 1051657907 /nfs/dbraw/zinc/65/79/07/1051657907.db2.gz IZMKJTOCYDVQQD-LJQANCHMSA-N 1 0 349.434 4.454 20 30 EIEDRO CCc1cccc2cc(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)oc21 ZINC001182763346 1051685651 /nfs/dbraw/zinc/68/56/51/1051685651.db2.gz CYNHYJWTFGVVOX-FQEVSTJZSA-N 1 0 334.419 4.032 20 30 EIEDRO C=CC[C@@H](C)[NH+]1CCC([C@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 ZINC001175651898 1051693938 /nfs/dbraw/zinc/69/39/38/1051693938.db2.gz PVWQVSBSQGETEA-SJLPKXTDSA-N 1 0 348.531 4.453 20 30 EIEDRO C[N@@H+](Cc1ccc(F)c2ccccc12)C[C@H](O)c1cccc(C#N)c1 ZINC001182765832 1051704908 /nfs/dbraw/zinc/70/49/08/1051704908.db2.gz XCBWEWACMXJVMD-NRFANRHFSA-N 1 0 334.394 4.016 20 30 EIEDRO Cn1cc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001182772554 1051709149 /nfs/dbraw/zinc/70/91/49/1051709149.db2.gz IAAZPUXHOVZGOW-FQEVSTJZSA-N 1 0 348.494 4.361 20 30 EIEDRO C[NH+]1CCC(COc2ccc(Nc3cc(F)cc(C#N)c3)cc2)CC1 ZINC001175689591 1051730496 /nfs/dbraw/zinc/73/04/96/1051730496.db2.gz PJRLWAOMHLIYAI-UHFFFAOYSA-N 1 0 339.414 4.162 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(C#N)c1F ZINC000774559464 1051732088 /nfs/dbraw/zinc/73/20/88/1051732088.db2.gz SGJRPBUKCSVTNT-UHFFFAOYSA-N 1 0 325.431 4.174 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCOc2ccc(F)cc2Cl)C2CC2)cc1 ZINC001192489134 1051756566 /nfs/dbraw/zinc/75/65/66/1051756566.db2.gz BKYRMLZFYJPRLT-UHFFFAOYSA-N 1 0 344.817 4.394 20 30 EIEDRO N#Cc1ccsc1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175796552 1051760793 /nfs/dbraw/zinc/76/07/93/1051760793.db2.gz LGJNUONNCAAFJO-UHFFFAOYSA-N 1 0 327.453 4.228 20 30 EIEDRO Cc1coc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1C#N ZINC001175798910 1051764131 /nfs/dbraw/zinc/76/41/31/1051764131.db2.gz ACADKYXIOAXDLF-UHFFFAOYSA-N 1 0 325.412 4.068 20 30 EIEDRO N#Cc1sccc1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175797034 1051764429 /nfs/dbraw/zinc/76/44/29/1051764429.db2.gz ZGLFMKMDTYLAMA-UHFFFAOYSA-N 1 0 327.453 4.228 20 30 EIEDRO C=CCN1CC[C@@H]([NH2+]C2(c3ccc(C(C)(C)C)cc3)CCCC2)C1=O ZINC001192585574 1051770447 /nfs/dbraw/zinc/77/04/47/1051770447.db2.gz WTGXUZNHKPCZEC-LJQANCHMSA-N 1 0 340.511 4.130 20 30 EIEDRO C=C[C@H](CC(=O)NCc1cccc(C[N@@H+](C)CC)c1)c1ccccc1 ZINC000158800545 1051788802 /nfs/dbraw/zinc/78/88/02/1051788802.db2.gz KTUZQGJLBATITI-HXUWFJFHSA-N 1 0 336.479 4.114 20 30 EIEDRO N#Cc1cncc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)c1 ZINC001192698658 1051795765 /nfs/dbraw/zinc/79/57/65/1051795765.db2.gz ITFWWQYYWMLVDB-NRFANRHFSA-N 1 0 331.394 4.166 20 30 EIEDRO C=CC[C@H]1CC[C@H](Nc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC001183463718 1051847127 /nfs/dbraw/zinc/84/71/27/1051847127.db2.gz JKJOQCQXORPGLQ-IRXDYDNUSA-N 1 0 331.479 4.124 20 30 EIEDRO C=CCC1(CNC(=O)c2cccc([C@@H]3CCC[N@@H+](C)C3)c2)CCCC1 ZINC001183460077 1051847197 /nfs/dbraw/zinc/84/71/97/1051847197.db2.gz JRVSSAMWXZLXKJ-HXUWFJFHSA-N 1 0 340.511 4.362 20 30 EIEDRO CSc1ccc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)cc1C#N ZINC001183798987 1051900029 /nfs/dbraw/zinc/90/00/29/1051900029.db2.gz HVSMXTURJSLBFY-QZTJIDSGSA-N 1 0 344.524 4.496 20 30 EIEDRO Cc1ccc(C[N@H+](CCCC(C)C)C[C@H](O)CC2(C#N)CCC2)o1 ZINC001176135714 1051905535 /nfs/dbraw/zinc/90/55/35/1051905535.db2.gz CIUCDNFGERDCQT-GOSISDBHSA-N 1 0 332.488 4.271 20 30 EIEDRO C=CCC1(O)CC[NH+](Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC001183898985 1051919057 /nfs/dbraw/zinc/91/90/57/1051919057.db2.gz SHOHBAZZVMVBDJ-UHFFFAOYSA-N 1 0 337.463 4.265 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2ccc(C#N)c3ccccc23)cc1 ZINC001176229872 1051966820 /nfs/dbraw/zinc/96/68/20/1051966820.db2.gz SYXQPMDGQWNGHI-UHFFFAOYSA-N 1 0 331.419 4.395 20 30 EIEDRO C#CC[N@@H+](CCCc1ccc(Br)cc1OC)C(C)(C)C ZINC001176280461 1051975126 /nfs/dbraw/zinc/97/51/26/1051975126.db2.gz BXUDWQYEWQUWTN-UHFFFAOYSA-N 1 0 338.289 4.124 20 30 EIEDRO CCCOc1ccc(C(C)(C)[NH2+]CCOc2ccccc2C#N)cc1 ZINC001193753446 1051991738 /nfs/dbraw/zinc/99/17/38/1051991738.db2.gz FZTVMVZSRIXJHQ-UHFFFAOYSA-N 1 0 338.451 4.251 20 30 EIEDRO C=CCCC[NH+]1CCC(c2c[nH]c3ccc(C(=O)OC)cc32)CC1 ZINC001176334358 1051994718 /nfs/dbraw/zinc/99/47/18/1051994718.db2.gz JARRDWKUORBXQO-UHFFFAOYSA-N 1 0 326.440 4.100 20 30 EIEDRO CC1(c2cccc(Cl)c2)CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001193807621 1052003041 /nfs/dbraw/zinc/00/30/41/1052003041.db2.gz LVEKOLNTYLDVBJ-UHFFFAOYSA-N 1 0 325.843 4.160 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000158851066 1052014537 /nfs/dbraw/zinc/01/45/37/1052014537.db2.gz WPRCYRPFVIGIRL-KRWDZBQOSA-N 1 0 326.396 4.401 20 30 EIEDRO CC(C)(C)OC(=O)NCCC[N@H+](CCCCC#N)Cc1ccccc1 ZINC001194007732 1052045946 /nfs/dbraw/zinc/04/59/46/1052045946.db2.gz FDUDXBKPOTZPHI-UHFFFAOYSA-N 1 0 345.487 4.097 20 30 EIEDRO CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC001194116694 1052077401 /nfs/dbraw/zinc/07/74/01/1052077401.db2.gz VBXBBUJALGZCNU-KRWDZBQOSA-N 1 0 337.508 4.039 20 30 EIEDRO N#Cc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001184750162 1052099468 /nfs/dbraw/zinc/09/94/68/1052099468.db2.gz YWUFQYGQULLVJA-UHFFFAOYSA-N 1 0 334.423 4.188 20 30 EIEDRO C[NH+](C)[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)C1CCCCC1 ZINC001184784470 1052104308 /nfs/dbraw/zinc/10/43/08/1052104308.db2.gz GJAOXRSZLUTVQJ-KRWDZBQOSA-N 1 0 328.504 4.173 20 30 EIEDRO Cc1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(F)cc1Cl ZINC001176523885 1052111017 /nfs/dbraw/zinc/11/10/17/1052111017.db2.gz XSERTSOXEZMIQQ-UHFFFAOYSA-N 1 0 335.835 4.452 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc(C#N)c3ccsc32)C1 ZINC001184928074 1052132425 /nfs/dbraw/zinc/13/24/25/1052132425.db2.gz SHDOBPULHWTULQ-LZWOXQAQSA-N 1 0 340.496 4.010 20 30 EIEDRO COc1cccc(CC[NH+]2CCCC2)c1Nc1ccc(F)c(C#N)c1 ZINC001176615215 1052140234 /nfs/dbraw/zinc/14/02/34/1052140234.db2.gz ADRRVCZFCBFAJO-UHFFFAOYSA-N 1 0 339.414 4.088 20 30 EIEDRO C[C@]12C[N@H+](Cc3cc(C#N)ccc3Br)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001176618077 1052142216 /nfs/dbraw/zinc/14/22/16/1052142216.db2.gz BVXIYTGRCZTZPQ-JXSMBQFASA-N 1 0 345.284 4.189 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCOC2CCCCC2)ccc1OC ZINC000622267267 1052168932 /nfs/dbraw/zinc/16/89/32/1052168932.db2.gz WKHLOBLWGKGYDJ-UHFFFAOYSA-N 1 0 333.472 4.089 20 30 EIEDRO C=CCC[C@H]1CCC[N@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001176771612 1052194874 /nfs/dbraw/zinc/19/48/74/1052194874.db2.gz NZPVXDPFKGSLIR-KRWDZBQOSA-N 1 0 339.458 4.431 20 30 EIEDRO CCCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C1CCC1 ZINC000184883277 1052272447 /nfs/dbraw/zinc/27/24/47/1052272447.db2.gz LDKXKAXDZMCRRW-SUMWQHHRSA-N 1 0 331.460 4.044 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1OC ZINC000623512587 1052667311 /nfs/dbraw/zinc/66/73/11/1052667311.db2.gz NOPZYBYAPNFYKK-GFCCVEGCSA-N 1 0 345.817 4.438 20 30 EIEDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763961149 1052683432 /nfs/dbraw/zinc/68/34/32/1052683432.db2.gz CGZMKHVAPQAYNJ-NZQKXSOJSA-N 1 0 348.490 4.280 20 30 EIEDRO CCc1ccc(C(C)(C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1 ZINC000180097771 1052780967 /nfs/dbraw/zinc/78/09/67/1052780967.db2.gz GIRGRRDGHAHKAV-UHFFFAOYSA-N 1 0 341.480 4.036 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000180139283 1052782595 /nfs/dbraw/zinc/78/25/95/1052782595.db2.gz YBAUNJLCAPXAQM-CQSZACIVSA-N 1 0 328.337 4.279 20 30 EIEDRO FC(F)(F)c1ccc(C#CCN[C@@H]2CCCc3scnc32)cc1 ZINC000623917932 1052837593 /nfs/dbraw/zinc/83/75/93/1052837593.db2.gz CJHCQGPWXYFUNM-CQSZACIVSA-N 1 0 336.382 4.181 20 30 EIEDRO CO[C@@H](CC[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000623967694 1052844379 /nfs/dbraw/zinc/84/43/79/1052844379.db2.gz GEWSXNJYQKWSDC-PELKAZGASA-N 1 0 347.274 4.463 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000181087783 1052875819 /nfs/dbraw/zinc/87/58/19/1052875819.db2.gz FQWDTHRADIDRGC-SFHVURJKSA-N 1 0 343.515 4.037 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000764011801 1052876777 /nfs/dbraw/zinc/87/67/77/1052876777.db2.gz KZBXPDWIRJEHDB-UHFFFAOYSA-N 1 0 330.815 4.189 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000182183196 1052918297 /nfs/dbraw/zinc/91/82/97/1052918297.db2.gz HPBODEIGQZKJMD-IAGOWNOFSA-N 1 0 327.472 4.395 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)c2ccccc2F)cc1OC ZINC000624219688 1052919631 /nfs/dbraw/zinc/91/96/31/1052919631.db2.gz HKVHWTKHRIYRQA-UHFFFAOYSA-N 1 0 343.442 4.467 20 30 EIEDRO N#CCCCOc1cccc(N[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000194403422 1053040527 /nfs/dbraw/zinc/04/05/27/1053040527.db2.gz SUQACOGSZIIVDI-NRFANRHFSA-N 1 0 349.478 4.098 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc([NH+]2CCCCCC2)cc1 ZINC000863850945 1053085037 /nfs/dbraw/zinc/08/50/37/1053085037.db2.gz OXVDUWURWKELBY-GOSISDBHSA-N 1 0 341.499 4.068 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@H](C)Nc1ccc([NH+]2CCCCCC2)cc1 ZINC000863850946 1053085607 /nfs/dbraw/zinc/08/56/07/1053085607.db2.gz OXVDUWURWKELBY-SFHVURJKSA-N 1 0 341.499 4.068 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C2(c3cccc(OC)c3)CCC2)cc1 ZINC000850405600 1053175007 /nfs/dbraw/zinc/17/50/07/1053175007.db2.gz WNFYHQHBYSXLGV-UHFFFAOYSA-N 1 0 335.447 4.266 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850413976 1053186075 /nfs/dbraw/zinc/18/60/75/1053186075.db2.gz WIGIZJSGCGKKDM-OALUTQOASA-N 1 0 328.843 4.059 20 30 EIEDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C12CCC2 ZINC001194982560 1053217071 /nfs/dbraw/zinc/21/70/71/1053217071.db2.gz ABDDHSWGJJAUTL-RTWAWAEBSA-N 1 0 332.447 4.272 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)C(C)(C)C(F)F)cc(OC)c1OC ZINC000850444304 1053218329 /nfs/dbraw/zinc/21/83/29/1053218329.db2.gz XRIPSPCUSZRXSR-LBPRGKRZSA-N 1 0 327.415 4.202 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)C(C)(C)C(F)F)ccc1OC ZINC000850444223 1053220100 /nfs/dbraw/zinc/22/01/00/1053220100.db2.gz VQQUEMOQFCYKSE-GXTWGEPZSA-N 1 0 340.414 4.146 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2Cl)nc1 ZINC000850463765 1053242204 /nfs/dbraw/zinc/24/22/04/1053242204.db2.gz YAVXLXGTMSKTFE-PKOBYXMFSA-N 1 0 325.843 4.423 20 30 EIEDRO O[C@@H](c1ccccc1)[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000794669425 1053243214 /nfs/dbraw/zinc/24/32/14/1053243214.db2.gz RZTAAKZUUWNGQE-PKTZIBPZSA-N 1 0 345.417 4.242 20 30 EIEDRO CN(CCC[N@H+](C)CCC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC001195181501 1053299826 /nfs/dbraw/zinc/29/98/26/1053299826.db2.gz XZHKDKVNSSEALN-UHFFFAOYSA-N 1 0 337.508 4.039 20 30 EIEDRO CCC[N@H+](CCOCCC#N)[C@H](C)c1ccccc1Br ZINC000338929585 1053339333 /nfs/dbraw/zinc/33/93/33/1053339333.db2.gz QBXRGCNMXPZJKX-CQSZACIVSA-N 1 0 339.277 4.152 20 30 EIEDRO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC001195249952 1053345465 /nfs/dbraw/zinc/34/54/65/1053345465.db2.gz HYRSTVLDCPCOPA-HNNXBMFYSA-N 1 0 336.435 4.301 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000776499964 1053385129 /nfs/dbraw/zinc/38/51/29/1053385129.db2.gz ZOWGGIZVTHBZIX-IBGZPJMESA-N 1 0 341.838 4.356 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC001195393245 1053399987 /nfs/dbraw/zinc/39/99/87/1053399987.db2.gz CAHXJNVSWTXQSY-LJQANCHMSA-N 1 0 342.483 4.343 20 30 EIEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)c1ccccc1 ZINC000794828060 1053439677 /nfs/dbraw/zinc/43/96/77/1053439677.db2.gz BAJULBUJXDVEJM-GKCIPKSASA-N 1 0 326.415 4.250 20 30 EIEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000794834139 1053452559 /nfs/dbraw/zinc/45/25/59/1053452559.db2.gz XMNDVHLNNQEDEK-VOBQZIQPSA-N 1 0 326.415 4.250 20 30 EIEDRO CC[C@@H]1c2ccc(OC)c(OC)c2CC[N@H+]1CC1CCC(C#N)CC1 ZINC001195789624 1053488472 /nfs/dbraw/zinc/48/84/72/1053488472.db2.gz MWFSBGZNYQXLTN-LADRWXRNSA-N 1 0 342.483 4.343 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000765281813 1053490658 /nfs/dbraw/zinc/49/06/58/1053490658.db2.gz SSOFKWZVTCFTIR-GOSISDBHSA-N 1 0 339.410 4.230 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2sc(C)c(C)c2c(N)n1 ZINC001196056505 1053563163 /nfs/dbraw/zinc/56/31/63/1053563163.db2.gz KUDGSCPPGUUJRO-ZIAGYGMSSA-N 1 0 330.501 4.115 20 30 EIEDRO CC[N@H+](CCC(=O)OCc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000776578740 1053564102 /nfs/dbraw/zinc/56/41/02/1053564102.db2.gz IHXOBQFHGMWZKW-QGZVFWFLSA-N 1 0 336.435 4.075 20 30 EIEDRO COc1ccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)cc1OC(F)F ZINC000921518648 1053571930 /nfs/dbraw/zinc/57/19/30/1053571930.db2.gz JRNWGIFZIOMRTG-UHFFFAOYSA-N 1 0 346.377 4.075 20 30 EIEDRO CCC(CC)(C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C(F)(F)F ZINC000865756482 1053585699 /nfs/dbraw/zinc/58/56/99/1053585699.db2.gz PKYCNDYZGLTAOC-ZDUSSCGKSA-N 1 0 328.378 4.436 20 30 EIEDRO C=C(C)[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1C)c1ccc(F)c(F)c1 ZINC000775726239 1053694156 /nfs/dbraw/zinc/69/41/56/1053694156.db2.gz ZSFDYCUQMGMZBY-OALUTQOASA-N 1 0 335.369 4.353 20 30 EIEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1C)c1ccc(F)c(F)c1 ZINC000775726240 1053694173 /nfs/dbraw/zinc/69/41/73/1053694173.db2.gz ZSFDYCUQMGMZBY-RBUKOAKNSA-N 1 0 335.369 4.353 20 30 EIEDRO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001196535362 1053696307 /nfs/dbraw/zinc/69/63/07/1053696307.db2.gz KVDNGJTZOIGLTR-UWJYYQICSA-N 1 0 341.499 4.030 20 30 EIEDRO N#Cc1c(-c2ccccc2)ccnc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168544248 1053700198 /nfs/dbraw/zinc/70/01/98/1053700198.db2.gz UIJVYVKAGDGLNM-QGZVFWFLSA-N 1 0 340.430 4.204 20 30 EIEDRO CCCCOc1ccc(C[NH2+]Cc2csc(C#N)c2)cc1OC ZINC000921529658 1053706806 /nfs/dbraw/zinc/70/68/06/1053706806.db2.gz NEZSRCNSGVPQAC-UHFFFAOYSA-N 1 0 330.453 4.097 20 30 EIEDRO COc1ccc([C@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)cc1F ZINC001196615739 1053713959 /nfs/dbraw/zinc/71/39/59/1053713959.db2.gz XTJZNJDVUUDDML-HNNXBMFYSA-N 1 0 344.817 4.349 20 30 EIEDRO Cc1ccsc1[C@@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866445328 1053733345 /nfs/dbraw/zinc/73/33/45/1053733345.db2.gz JDNQXPVAYJDCSL-OAHLLOKOSA-N 1 0 325.481 4.248 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000866449659 1053733770 /nfs/dbraw/zinc/73/37/70/1053733770.db2.gz YXRSNPQVPMXZLN-LPHOPBHVSA-N 1 0 329.463 4.035 20 30 EIEDRO C[C@H](CCC#N)[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854109465 1053756229 /nfs/dbraw/zinc/75/62/29/1053756229.db2.gz XWPVQDCHYBOIOC-OAHLLOKOSA-N 1 0 338.430 4.154 20 30 EIEDRO C[C@@H](CCC#N)[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854109464 1053756925 /nfs/dbraw/zinc/75/69/25/1053756925.db2.gz XWPVQDCHYBOIOC-HNNXBMFYSA-N 1 0 338.430 4.154 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@](C)(CC)c2ccc(F)cc2)cc1 ZINC001196818184 1053781036 /nfs/dbraw/zinc/78/10/36/1053781036.db2.gz HOAUMFDLJGAPTG-OAQYLSRUSA-N 1 0 338.426 4.051 20 30 EIEDRO CCOCC[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC001196886903 1053788674 /nfs/dbraw/zinc/78/86/74/1053788674.db2.gz DCUOYUZBBCKXAW-QFIPXVFZSA-N 1 0 337.438 4.203 20 30 EIEDRO N#Cc1ccc(-c2ccc(N3C[C@@H](CC[NH3+])c4ccccc43)cc2)o1 ZINC001168548191 1053795123 /nfs/dbraw/zinc/79/51/23/1053795123.db2.gz FDHWVJOGJDZUGY-MRXNPFEDSA-N 1 0 329.403 4.402 20 30 EIEDRO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000121216092 1053824073 /nfs/dbraw/zinc/82/40/73/1053824073.db2.gz VUKBZVGNMHNKMR-AWEZNQCLSA-N 1 0 344.842 4.271 20 30 EIEDRO CC(C)CCOC1CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000121610573 1053827664 /nfs/dbraw/zinc/82/76/64/1053827664.db2.gz ILEJIYFWFFBLPO-KRWDZBQOSA-N 1 0 330.472 4.005 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000121835874 1053850517 /nfs/dbraw/zinc/85/05/17/1053850517.db2.gz AXHFOKYSCBACOZ-ROUUACIJSA-N 1 0 345.446 4.296 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000868152132 1053878421 /nfs/dbraw/zinc/87/84/21/1053878421.db2.gz OSJTTWBYHWPLBP-UHFFFAOYSA-N 1 0 327.472 4.026 20 30 EIEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c1 ZINC000921569493 1053893890 /nfs/dbraw/zinc/89/38/90/1053893890.db2.gz DSYQGYZZROGHBD-HNNXBMFYSA-N 1 0 349.478 4.450 20 30 EIEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000921596299 1053913392 /nfs/dbraw/zinc/91/33/92/1053913392.db2.gz MQKSRMQQTIKIIY-LLVKDONJSA-N 1 0 340.370 4.412 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000113315386 1053918204 /nfs/dbraw/zinc/91/82/04/1053918204.db2.gz BHCXELWMTONJGS-OAHLLOKOSA-N 1 0 327.399 4.087 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)cs1 ZINC000921612720 1053918178 /nfs/dbraw/zinc/91/81/78/1053918178.db2.gz DRJPTFURLOSDKZ-OAHLLOKOSA-N 1 0 333.254 4.159 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C)c(C)c2)ccc1OC ZINC000113348053 1053923559 /nfs/dbraw/zinc/92/35/59/1053923559.db2.gz IBVCRDAVTNIMKR-LJQANCHMSA-N 1 0 338.451 4.283 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OC ZINC000113348244 1053926496 /nfs/dbraw/zinc/92/64/96/1053926496.db2.gz XBYAWSCFGDGAFW-INIZCTEOSA-N 1 0 344.842 4.319 20 30 EIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)ccc1F ZINC001197882873 1054013347 /nfs/dbraw/zinc/01/33/47/1054013347.db2.gz ZYPRSUQWPTXWCL-AWEZNQCLSA-N 1 0 341.455 4.022 20 30 EIEDRO N#CCCOCC[N@@H+]1CCC[C@H](Cc2csc3ccccc23)C1 ZINC000339098804 1054065736 /nfs/dbraw/zinc/06/57/36/1054065736.db2.gz SPQVETDVOVMJGA-MRXNPFEDSA-N 1 0 328.481 4.086 20 30 EIEDRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CCC2(C#N)CCCCC2)[C@@H]1C ZINC001198666906 1054227305 /nfs/dbraw/zinc/22/73/05/1054227305.db2.gz GWYVIFWAAAEJNN-BRSBDYLESA-N 1 0 334.504 4.149 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001198705814 1054240949 /nfs/dbraw/zinc/24/09/49/1054240949.db2.gz MFNWXCODJAPNAV-NRFANRHFSA-N 1 0 334.463 4.451 20 30 EIEDRO Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000871873025 1054315234 /nfs/dbraw/zinc/31/52/34/1054315234.db2.gz XRSCVPXNJSVKNA-KBPBESRZSA-N 1 0 341.842 4.198 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC001198981105 1054318724 /nfs/dbraw/zinc/31/87/24/1054318724.db2.gz WDJRMNPYTQRYHD-UHFFFAOYSA-N 1 0 338.838 4.166 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccc(C#N)cc1)CCCC2 ZINC000872026270 1054340241 /nfs/dbraw/zinc/34/02/41/1054340241.db2.gz ZYYICZBKQXNMGZ-LJQANCHMSA-N 1 0 336.435 4.133 20 30 EIEDRO CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]CC1CCC(C#N)CC1 ZINC000872070294 1054377321 /nfs/dbraw/zinc/37/73/21/1054377321.db2.gz YUKJSVYSHCCRGI-AFMYVXGZSA-N 1 0 332.463 4.081 20 30 EIEDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000872082533 1054382901 /nfs/dbraw/zinc/38/29/01/1054382901.db2.gz XRVIFLJPGSBDNY-CYBMUJFWSA-N 1 0 341.436 4.234 20 30 EIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858023560 1054403141 /nfs/dbraw/zinc/40/31/41/1054403141.db2.gz OZDYLVRYCYNYBN-NRFANRHFSA-N 1 0 347.462 4.068 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1C#N ZINC000858025742 1054403810 /nfs/dbraw/zinc/40/38/10/1054403810.db2.gz LIEONQDYJXYZGB-NRFANRHFSA-N 1 0 347.462 4.183 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(OCC#N)cc1 ZINC000872130158 1054406199 /nfs/dbraw/zinc/40/61/99/1054406199.db2.gz FNDNKFZRNMYBAF-STQMWFEESA-N 1 0 349.356 4.415 20 30 EIEDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1F ZINC000858179201 1054431475 /nfs/dbraw/zinc/43/14/75/1054431475.db2.gz IEIJZGXFKXSLPL-LJQANCHMSA-N 1 0 341.405 4.070 20 30 EIEDRO C[NH+]1CCC(CN=Nc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000872353780 1054440381 /nfs/dbraw/zinc/44/03/81/1054440381.db2.gz PBAIPPOWNSQWPR-UHFFFAOYSA-N 1 0 342.390 4.055 20 30 EIEDRO C[N@H+](Cc1ccccc1)C1CCC(=NNC[C@H]2CCCC2(F)F)CC1 ZINC000872405820 1054442017 /nfs/dbraw/zinc/44/20/17/1054442017.db2.gz DMPPIBLSQDUWDV-DUSLRRAJSA-N 1 0 349.469 4.442 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)C1 ZINC001199743022 1054459591 /nfs/dbraw/zinc/45/95/91/1054459591.db2.gz QALQBLFLUKSUNH-MOPGFXCFSA-N 1 0 343.511 4.386 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000858320837 1054464311 /nfs/dbraw/zinc/46/43/11/1054464311.db2.gz KBCIWOUGUIGHGH-ORAYPTAESA-N 1 0 326.827 4.408 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC001199769144 1054465845 /nfs/dbraw/zinc/46/58/45/1054465845.db2.gz JJPFMICPMVNJMG-UHFFFAOYSA-N 1 0 347.380 4.440 20 30 EIEDRO N#Cc1cccc(C2CC[NH+](Cc3ccc(N4CCCC4)o3)CC2)c1 ZINC001137067800 1054481197 /nfs/dbraw/zinc/48/11/97/1054481197.db2.gz JDDKXTJLINNMFV-UHFFFAOYSA-N 1 0 335.451 4.131 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2Cl)cc1 ZINC001199874487 1054489563 /nfs/dbraw/zinc/48/95/63/1054489563.db2.gz JQWMVFWGIGMQNL-UHFFFAOYSA-N 1 0 334.644 4.374 20 30 EIEDRO C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1ccc(OCC#N)cc1 ZINC000858457282 1054495268 /nfs/dbraw/zinc/49/52/68/1054495268.db2.gz HXUCMLXCYGSIKP-KEHCIXGTSA-N 1 0 338.838 4.231 20 30 EIEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)c(C)c2)cc1Cl ZINC001202537200 1054529960 /nfs/dbraw/zinc/52/99/60/1054529960.db2.gz PLNMFNFYDVAZMA-HNNXBMFYSA-N 1 0 347.817 4.054 20 30 EIEDRO CSc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000776162254 1054771580 /nfs/dbraw/zinc/77/15/80/1054771580.db2.gz DOSMDEKRPNMROZ-CYBMUJFWSA-N 1 0 330.428 4.301 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C1(CC)CC ZINC000776162871 1054788785 /nfs/dbraw/zinc/78/87/85/1054788785.db2.gz NDHIGDHWFHWAMD-AYOQOUSVSA-N 1 0 330.472 4.223 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H](O)c1c(F)cccc1Cl ZINC000776167834 1054798808 /nfs/dbraw/zinc/79/88/08/1054798808.db2.gz HMQOYJWEOHEISH-VNBZBWLYSA-N 1 0 332.806 4.123 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000776167830 1054799090 /nfs/dbraw/zinc/79/90/90/1054799090.db2.gz HMQOYJWEOHEISH-PZROIBLQSA-N 1 0 332.806 4.123 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000776169391 1054799806 /nfs/dbraw/zinc/79/98/06/1054799806.db2.gz NHHKDQYJXHKHDD-SXGZJXTBSA-N 1 0 342.414 4.155 20 30 EIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000776168009 1054800714 /nfs/dbraw/zinc/80/07/14/1054800714.db2.gz IWJZWDLWNDPVQI-IRXDYDNUSA-N 1 0 327.472 4.335 20 30 EIEDRO CN(C/C(Br)=C/c1ccccc1)Cc1ccc(C#N)cc1 ZINC001201455551 1054805488 /nfs/dbraw/zinc/80/54/88/1054805488.db2.gz LLARQONGKBKTEA-WQRHYEAKSA-N 1 0 341.252 4.426 20 30 EIEDRO C=CCOC(=O)N1CCC2(C[NH+](C[C@H](C)CCC=C(C)C)C2)CC1 ZINC001201487675 1054816563 /nfs/dbraw/zinc/81/65/63/1054816563.db2.gz VFOCZCJZGUHNSU-GOSISDBHSA-N 1 0 334.504 4.089 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001201644622 1054876319 /nfs/dbraw/zinc/87/63/19/1054876319.db2.gz IEGVAGLZCDHOAV-SJORKVTESA-N 1 0 336.520 4.358 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC001201762460 1054899992 /nfs/dbraw/zinc/89/99/92/1054899992.db2.gz LTZLGLZQEXULRH-LEWJYISDSA-N 1 0 346.515 4.192 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001201813593 1054912197 /nfs/dbraw/zinc/91/21/97/1054912197.db2.gz GWLLNNHUWHZQNS-GOSISDBHSA-N 1 0 331.504 4.176 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC001201777546 1054917755 /nfs/dbraw/zinc/91/77/55/1054917755.db2.gz YRZOFJBIIWGOME-UHFFFAOYSA-N 1 0 342.527 4.254 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CN(c3ccccc3)C(=O)O2)CC1 ZINC001201788100 1054919641 /nfs/dbraw/zinc/91/96/41/1054919641.db2.gz WYIUICARRQJQAM-UHFFFAOYSA-N 1 0 330.472 4.448 20 30 EIEDRO CCCCCCCCCC[N@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001201853032 1054923350 /nfs/dbraw/zinc/92/33/50/1054923350.db2.gz YTCDJZJHCXNMLD-GOSISDBHSA-N 1 0 335.536 4.497 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)OC(=O)Nc1ncccc12 ZINC001201825859 1054926108 /nfs/dbraw/zinc/92/61/08/1054926108.db2.gz GFGACNONDHYCMW-UHFFFAOYSA-N 1 0 331.460 4.295 20 30 EIEDRO CCCCCCCCC[N@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001201839625 1054931125 /nfs/dbraw/zinc/93/11/25/1054931125.db2.gz OMXVXUFVUHYUMI-HXUWFJFHSA-N 1 0 347.547 4.492 20 30 EIEDRO CCCCCCCCC[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001201838709 1054931168 /nfs/dbraw/zinc/93/11/68/1054931168.db2.gz DPCRZGIVZHTKBN-OYRHEFFESA-N 1 0 329.532 4.196 20 30 EIEDRO C[C@@H](CCC#N)C[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000876586826 1054931289 /nfs/dbraw/zinc/93/12/89/1054931289.db2.gz LHRDEQCTACPMME-FUHWJXTLSA-N 1 0 349.519 4.038 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001201838659 1054931769 /nfs/dbraw/zinc/93/17/69/1054931769.db2.gz BHWMYWOXUSUVFQ-IRLDBZIGSA-N 1 0 342.527 4.343 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000876562356 1054932237 /nfs/dbraw/zinc/93/22/37/1054932237.db2.gz OCWXXKLGAPKSSW-SQNIBIBYSA-N 1 0 349.519 4.038 20 30 EIEDRO CCCCCCCCC[NH+]1C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001201846843 1054935152 /nfs/dbraw/zinc/93/51/52/1054935152.db2.gz NGNIDZRISDDKCZ-QZTJIDSGSA-N 1 0 332.488 4.034 20 30 EIEDRO CCCCCCCCCC[NH+]1CCC(NC(=O)C(F)(F)F)CC1 ZINC001201875355 1054939857 /nfs/dbraw/zinc/93/98/57/1054939857.db2.gz WMKZYGPCHZPZFD-UHFFFAOYSA-N 1 0 336.442 4.270 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCC1CCC(OC)CC1 ZINC001201919581 1054950994 /nfs/dbraw/zinc/95/09/94/1054950994.db2.gz GSYAWVPFGXRMMU-UHFFFAOYSA-N 1 0 335.875 4.037 20 30 EIEDRO C=CCN1C(=O)CCC12CC[NH+](CC[C@@H](C)CCC=C(C)C)CC2 ZINC001201977619 1054954932 /nfs/dbraw/zinc/95/49/32/1054954932.db2.gz UPAFVLCVBPBXEX-IBGZPJMESA-N 1 0 332.532 4.402 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000876807527 1054958784 /nfs/dbraw/zinc/95/87/84/1054958784.db2.gz GCMPNQJGYGWEJS-VQIMIIECSA-N 1 0 328.481 4.224 20 30 EIEDRO CCOc1ccccc1[C@@H](CC)NCc1cc(C#N)cnc1Cl ZINC000876995082 1054994627 /nfs/dbraw/zinc/99/46/27/1054994627.db2.gz VXQPZGYIEDGAOT-MRXNPFEDSA-N 1 0 329.831 4.246 20 30 EIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C(C)(C)c3ccc(C#N)cc3)ccc21 ZINC000861906115 1055001519 /nfs/dbraw/zinc/00/15/19/1055001519.db2.gz GVLOJOCXHSARLN-FQEVSTJZSA-N 1 0 347.462 4.023 20 30 EIEDRO CC(C)(CF)[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC001202066144 1055007104 /nfs/dbraw/zinc/00/71/04/1055007104.db2.gz MRGKMBDEEFSOMA-NSHDSACASA-N 1 0 347.274 4.396 20 30 EIEDRO C#CCCCCCC[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000877056408 1055008609 /nfs/dbraw/zinc/00/86/09/1055008609.db2.gz XWPMYSNWXZGFJL-UHFFFAOYSA-N 1 0 349.478 4.032 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)nc2)cc1 ZINC000126481904 1055042622 /nfs/dbraw/zinc/04/26/22/1055042622.db2.gz WIANLGHLMDKZFF-AWEZNQCLSA-N 1 0 332.831 4.072 20 30 EIEDRO CCCN(Cc1cc(C#N)cnc1Cl)[C@@H]1CCCc2cccnc21 ZINC000877412731 1055049658 /nfs/dbraw/zinc/04/96/58/1055049658.db2.gz WXSDTWUZRGNJLI-QGZVFWFLSA-N 1 0 340.858 4.291 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(n3ccc4ccccc43)CC2)cc1 ZINC001137121280 1055065314 /nfs/dbraw/zinc/06/53/14/1055065314.db2.gz ASXFXWPRWNYAKI-UHFFFAOYSA-N 1 0 345.446 4.381 20 30 EIEDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000877503400 1055065617 /nfs/dbraw/zinc/06/56/17/1055065617.db2.gz LBCZLZQGTDHFOD-XUSGNXJCSA-N 1 0 328.780 4.024 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)c(I)cc1C ZINC001202184729 1055072191 /nfs/dbraw/zinc/07/21/91/1055072191.db2.gz VXHQKLPZRANEDB-AWEZNQCLSA-N 1 0 343.252 4.352 20 30 EIEDRO C#CCCCCCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000877582829 1055086461 /nfs/dbraw/zinc/08/64/61/1055086461.db2.gz AITHRZWAUVGQDH-INIZCTEOSA-N 1 0 331.422 4.251 20 30 EIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@H](CCc3ccccc3)C2)cc1 ZINC001137124224 1055090728 /nfs/dbraw/zinc/09/07/28/1055090728.db2.gz WZWBNQBVCBDESB-HXUWFJFHSA-N 1 0 334.463 4.434 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)CCOCC1 ZINC000877628404 1055095587 /nfs/dbraw/zinc/09/55/87/1055095587.db2.gz HPXRATNXMOFRID-UHFFFAOYSA-N 1 0 346.471 4.249 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2cccc(Cl)c2)CCC1 ZINC000877727331 1055112192 /nfs/dbraw/zinc/11/21/92/1055112192.db2.gz BKLOTNFUKABMHU-MRXNPFEDSA-N 1 0 346.902 4.450 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H](C)c1ccc(C)cc1)c1ccccc1 ZINC000877968088 1055164836 /nfs/dbraw/zinc/16/48/36/1055164836.db2.gz IJXNLQRTNMPHKK-XMSQKQJNSA-N 1 0 334.463 4.429 20 30 EIEDRO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccc(C)cc1 ZINC000878005448 1055173154 /nfs/dbraw/zinc/17/31/54/1055173154.db2.gz NZJVCSKKJIMIOV-JOCHJYFZSA-N 1 0 334.463 4.258 20 30 EIEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151402 1055195730 /nfs/dbraw/zinc/19/57/30/1055195730.db2.gz QHCJYSNRFIZWDF-AQNXPRMDSA-N 1 0 344.524 4.033 20 30 EIEDRO C=CC[N@H+](CCCc1nc(-c2ccccc2)no1)CCc1ccccc1 ZINC000112691420 1055240934 /nfs/dbraw/zinc/24/09/34/1055240934.db2.gz FELJZAUYHCSJFA-UHFFFAOYSA-N 1 0 347.462 4.400 20 30 EIEDRO COc1cc(Cl)ccc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000107719256 1055262301 /nfs/dbraw/zinc/26/23/01/1055262301.db2.gz KLSVRLXGCCBPLQ-UHFFFAOYSA-N 1 0 344.842 4.321 20 30 EIEDRO C=CC(C)(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000624465216 1055308116 /nfs/dbraw/zinc/30/81/16/1055308116.db2.gz IDPDZEXMLBBXCI-DOTOQJQBSA-N 1 0 349.544 4.033 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000765801951 1055376684 /nfs/dbraw/zinc/37/66/84/1055376684.db2.gz LNPQOLWVPUCKBO-NEWSRXKRSA-N 1 0 330.472 4.049 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2ccccc2[C@H](C)C1)c1ccccc1 ZINC000878807437 1055400603 /nfs/dbraw/zinc/40/06/03/1055400603.db2.gz BJORPAUXSYZRHX-JPYJTQIMSA-N 1 0 346.474 4.089 20 30 EIEDRO Cc1nc(-c2ccc(NC(=O)CC3(C#N)CCCCC3)cc2)[nH]c1C ZINC000921653275 1055491550 /nfs/dbraw/zinc/49/15/50/1055491550.db2.gz KSFYUWKUFZMVBP-UHFFFAOYSA-N 1 0 336.439 4.496 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(C#N)cc4)C3)nc2c1 ZINC000130811334 1055642961 /nfs/dbraw/zinc/64/29/61/1055642961.db2.gz DFHKCWGMBBUHAX-SFHVURJKSA-N 1 0 330.435 4.123 20 30 EIEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)[C@H](C)C1 ZINC000542704837 1055848809 /nfs/dbraw/zinc/84/88/09/1055848809.db2.gz KARCVODKUIRFBJ-ZBPHDNMCSA-N 1 0 327.472 4.058 20 30 EIEDRO N#Cc1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000301159158 1055901670 /nfs/dbraw/zinc/90/16/70/1055901670.db2.gz SMTAIHUEWKLOGI-HNNXBMFYSA-N 1 0 329.444 4.083 20 30 EIEDRO N#Cc1cnc2ccccc2c1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000301330478 1055920851 /nfs/dbraw/zinc/92/08/51/1055920851.db2.gz DIURJJGIWALIGS-LJQANCHMSA-N 1 0 346.434 4.339 20 30 EIEDRO N#Cc1cc(F)c(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(F)c1 ZINC000301340598 1055924580 /nfs/dbraw/zinc/92/45/80/1055924580.db2.gz IFHPYYJNZOJHES-SFHVURJKSA-N 1 0 327.378 4.085 20 30 EIEDRO CC(C)(C)[NH+]1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301373488 1055929014 /nfs/dbraw/zinc/92/90/14/1055929014.db2.gz QJILUQQOGVTFOK-UHFFFAOYSA-N 1 0 342.874 4.435 20 30 EIEDRO N#Cc1cnc2ccccc2c1NC1CC[NH+](CC2CCCC2)CC1 ZINC000301409842 1055933763 /nfs/dbraw/zinc/93/37/63/1055933763.db2.gz OJDPFFFJUJKEEN-UHFFFAOYSA-N 1 0 334.467 4.173 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301806410 1055987787 /nfs/dbraw/zinc/98/77/87/1055987787.db2.gz XWTRLTQJZWPBKM-UGSOOPFHSA-N 1 0 349.400 4.030 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)nc1 ZINC000554077506 1055996827 /nfs/dbraw/zinc/99/68/27/1055996827.db2.gz OCGUKNNPHDQINO-WMZOPIPTSA-N 1 0 345.368 4.398 20 30 EIEDRO CC[N@H+](C)Cc1cccc(CNc2c(C#N)cnc3ccccc32)c1 ZINC000302003029 1056006625 /nfs/dbraw/zinc/00/66/25/1056006625.db2.gz XQUHWSKQAYFAFR-UHFFFAOYSA-N 1 0 330.435 4.170 20 30 EIEDRO C[C@H](CNc1ccc2cc(C#N)ccc2n1)[N@@H+]1CCc2sccc2C1 ZINC000301991774 1056006670 /nfs/dbraw/zinc/00/66/70/1056006670.db2.gz YMZDHXOXRIESNE-CQSZACIVSA-N 1 0 348.475 4.027 20 30 EIEDRO Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302064481 1056013764 /nfs/dbraw/zinc/01/37/64/1056013764.db2.gz ALIMUUBHEFCWKP-ZDUSSCGKSA-N 1 0 332.363 4.496 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000302135771 1056022244 /nfs/dbraw/zinc/02/22/44/1056022244.db2.gz ZYYSKDHKJXYLRW-KKSFZXQISA-N 1 0 347.462 4.083 20 30 EIEDRO N#CCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000302817813 1056074754 /nfs/dbraw/zinc/07/47/54/1056074754.db2.gz YYCOEQQKPOATKO-UHFFFAOYSA-N 1 0 333.479 4.087 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000619508479 1056159978 /nfs/dbraw/zinc/15/99/78/1056159978.db2.gz ZRVLCPYLOIMSKI-VXKWHMMOSA-N 1 0 332.447 4.229 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)ccc1OC ZINC000921737398 1056256056 /nfs/dbraw/zinc/25/60/56/1056256056.db2.gz GVGHYSLAGQFXTG-BRWVUGGUSA-N 1 0 348.512 4.140 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000304224028 1056391454 /nfs/dbraw/zinc/39/14/54/1056391454.db2.gz FVQWDLLPWFFFKD-QVKFZJNVSA-N 1 0 338.426 4.204 20 30 EIEDRO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934032 1056799968 /nfs/dbraw/zinc/79/99/68/1056799968.db2.gz GSULRMJXVNDFQF-IAGOWNOFSA-N 1 0 349.478 4.181 20 30 EIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075766206 1056812443 /nfs/dbraw/zinc/81/24/43/1056812443.db2.gz NBOZNUVBQXLBSB-SFHVURJKSA-N 1 0 338.455 4.399 20 30 EIEDRO CCCCCCCC[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000741780627 1058367067 /nfs/dbraw/zinc/36/70/67/1058367067.db2.gz YJWIJOCQLBJLFS-UHFFFAOYSA-N 1 0 332.488 4.403 20 30 EIEDRO CCCCOc1ccc(CC[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000742367343 1058577054 /nfs/dbraw/zinc/57/70/54/1058577054.db2.gz PWGMIWYWGAKLLZ-UHFFFAOYSA-N 1 0 338.451 4.078 20 30 EIEDRO Cc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)o1 ZINC000742381027 1058579808 /nfs/dbraw/zinc/57/98/08/1058579808.db2.gz URCPQHBCYMYBKG-MRXNPFEDSA-N 1 0 325.456 4.049 20 30 EIEDRO C#CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1C ZINC000742384976 1058588955 /nfs/dbraw/zinc/58/89/55/1058588955.db2.gz AEAFTXIRISSNRG-UHFFFAOYSA-N 1 0 329.447 4.351 20 30 EIEDRO Cc1cccc(F)c1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000742379941 1058604603 /nfs/dbraw/zinc/60/46/03/1058604603.db2.gz DFDPULAZEZMWPE-UHFFFAOYSA-N 1 0 348.425 4.201 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1 ZINC000742710024 1058718458 /nfs/dbraw/zinc/71/84/58/1058718458.db2.gz AQISHBNBKJKJHS-FYYLOGMGSA-N 1 0 349.474 4.265 20 30 EIEDRO CCCCCCCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000743989458 1059201249 /nfs/dbraw/zinc/20/12/49/1059201249.db2.gz QZOVYEYOUGKQAP-UHFFFAOYSA-N 1 0 342.527 4.396 20 30 EIEDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000744426221 1059484503 /nfs/dbraw/zinc/48/45/03/1059484503.db2.gz ILXAYXVAHYPZDA-CYBMUJFWSA-N 1 0 326.893 4.206 20 30 EIEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1c(O)ccc2ccncc21 ZINC000745154891 1059755846 /nfs/dbraw/zinc/75/58/46/1059755846.db2.gz AABLURUKQDALCY-UHFFFAOYSA-N 1 0 349.390 4.037 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000746046864 1059981271 /nfs/dbraw/zinc/98/12/71/1059981271.db2.gz FCZGOVFFOXHYCW-RDTXWAMCSA-N 1 0 339.395 4.127 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2SC)cc1 ZINC000766367598 1060309945 /nfs/dbraw/zinc/30/99/45/1060309945.db2.gz UEHOFPGOPDGTMY-CQSZACIVSA-N 1 0 329.440 4.410 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)cc1 ZINC000766457845 1060365002 /nfs/dbraw/zinc/36/50/02/1060365002.db2.gz PCVBAKFOWMDXAZ-UHFFFAOYSA-N 1 0 342.442 4.441 20 30 EIEDRO C=C(CC)C[NH2+][C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001169270663 1060755806 /nfs/dbraw/zinc/75/58/06/1060755806.db2.gz JCJRJRUCRXASPV-WMZOPIPTSA-N 1 0 338.854 4.085 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC2(C(=O)OCC)CCC2)cc1 ZINC001169561277 1060858321 /nfs/dbraw/zinc/85/83/21/1060858321.db2.gz IWXAHJXZXJVHAJ-LJQANCHMSA-N 1 0 342.483 4.155 20 30 EIEDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000103346935 1060900723 /nfs/dbraw/zinc/90/07/23/1060900723.db2.gz TXQHADLNFRIPPT-HNNXBMFYSA-N 1 0 326.465 4.085 20 30 EIEDRO C=CC[N@H+](C1CCCCC1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169787170 1060968487 /nfs/dbraw/zinc/96/84/87/1060968487.db2.gz DDTAUEXLVWWFSO-HXUWFJFHSA-N 1 0 326.484 4.112 20 30 EIEDRO C=C[C@@H]1CCCC[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001169862505 1061012284 /nfs/dbraw/zinc/01/22/84/1061012284.db2.gz GMXGMDUHZFRRNJ-HXUWFJFHSA-N 1 0 342.483 4.076 20 30 EIEDRO C[C@H]1CN(c2ccccc2F)CCN1CC#Cc1ccc(Cl)cc1 ZINC001169928277 1061036057 /nfs/dbraw/zinc/03/60/57/1061036057.db2.gz LLBHWLGYAJUYEO-INIZCTEOSA-N 1 0 342.845 4.041 20 30 EIEDRO C#CCCC[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000766934249 1061063030 /nfs/dbraw/zinc/06/30/30/1061063030.db2.gz DZGAWIPSZMZZBK-KRWDZBQOSA-N 1 0 329.488 4.175 20 30 EIEDRO C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)c1cccc(Br)c1 ZINC000767373204 1061217881 /nfs/dbraw/zinc/21/78/81/1061217881.db2.gz LMKQYHSKEVWNSJ-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000532195103 1032079567 /nfs/dbraw/zinc/07/95/67/1032079567.db2.gz LBFJKPWZXNDGST-MRXNPFEDSA-N 1 0 335.451 4.189 20 30 EIEDRO N#Cc1csc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000536633331 1032100632 /nfs/dbraw/zinc/10/06/32/1032100632.db2.gz VXBLINOAYDEFER-UHFFFAOYSA-N 1 0 326.465 4.170 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ccccc2)c2ccncc2)cc1 ZINC000172115963 1032278184 /nfs/dbraw/zinc/27/81/84/1032278184.db2.gz KKSWNFBCSKGRKM-HSZRJFAPSA-N 1 0 342.442 4.363 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ccccc2)c2cccnc2)cc1 ZINC000172118574 1032278862 /nfs/dbraw/zinc/27/88/62/1032278862.db2.gz KODOATJDRDZAOB-HSZRJFAPSA-N 1 0 342.442 4.363 20 30 EIEDRO CC(C)C[N@H+](CCc1nc2ccccc2n1C)Cc1ccc(C#N)cc1 ZINC000532933682 1032401126 /nfs/dbraw/zinc/40/11/26/1032401126.db2.gz AOAARWJBLASJNN-UHFFFAOYSA-N 1 0 346.478 4.146 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000610250188 1032420461 /nfs/dbraw/zinc/42/04/61/1032420461.db2.gz IVJPONMQWNIEDO-GHTZIAJQSA-N 1 0 349.478 4.309 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282049409 1032446311 /nfs/dbraw/zinc/44/63/11/1032446311.db2.gz VFSNZXQZJGMFFE-UHFFFAOYSA-N 1 0 343.515 4.488 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](CCCC(=O)c3ccccc3)CC2)cc1 ZINC000450354024 1032450674 /nfs/dbraw/zinc/45/06/74/1032450674.db2.gz ISUPBJIOGHMRDY-UHFFFAOYSA-N 1 0 348.446 4.065 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](CCCC(=O)c3ccccc3)CC2)c1 ZINC000450357779 1032452387 /nfs/dbraw/zinc/45/23/87/1032452387.db2.gz NOBAHRGZWNHGOA-UHFFFAOYSA-N 1 0 348.446 4.065 20 30 EIEDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000475730716 1032534855 /nfs/dbraw/zinc/53/48/55/1032534855.db2.gz LPVAJWNILSLJPV-HXUWFJFHSA-N 1 0 336.479 4.177 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2cccc(O)c2)cc1OC ZINC000623403946 1032542770 /nfs/dbraw/zinc/54/27/70/1032542770.db2.gz LSFLCHRAMMQUSX-CYBMUJFWSA-N 1 0 347.842 4.470 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H](C)C(C)C ZINC000533256566 1032567962 /nfs/dbraw/zinc/56/79/62/1032567962.db2.gz SDRYIXQZKZJBOC-CVEARBPZSA-N 1 0 347.528 4.243 20 30 EIEDRO CCc1nc2cc(CNC(=[NH2+])Nc3cccc(C)c3)ccc2n1C1CC1 ZINC000261654319 1032614038 /nfs/dbraw/zinc/61/40/38/1032614038.db2.gz NAUCLCFXNITCHS-UHFFFAOYSA-N 1 0 347.466 4.169 20 30 EIEDRO C=CCCC[N@@H+](C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000533437175 1032764215 /nfs/dbraw/zinc/76/42/15/1032764215.db2.gz XJCPMOBZVZCYIP-HXUWFJFHSA-N 1 0 342.508 4.242 20 30 EIEDRO Cc1cc(-c2noc([C@@H](C)[NH+]3CCC(CCC#N)CC3)n2)ccc1F ZINC000579705986 1018804044 /nfs/dbraw/zinc/80/40/44/1018804044.db2.gz VHLIZWBURCEUCV-CQSZACIVSA-N 1 0 342.418 4.261 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000126842224 1018855150 /nfs/dbraw/zinc/85/51/50/1018855150.db2.gz BFLOWDSCYBDVJT-GFCCVEGCSA-N 1 0 347.871 4.295 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000577580169 1018861267 /nfs/dbraw/zinc/86/12/67/1018861267.db2.gz LXLRCTMUXSQVFZ-ILWGZMRPSA-N 1 0 347.462 4.231 20 30 EIEDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000430211320 1019366252 /nfs/dbraw/zinc/36/62/52/1019366252.db2.gz XRSUNNWVYVZCPX-AWEZNQCLSA-N 1 0 339.395 4.058 20 30 EIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236713204 1032828427 /nfs/dbraw/zinc/82/84/27/1032828427.db2.gz CUZGCIABKITQBT-HRAATJIYSA-N 1 0 340.442 4.473 20 30 EIEDRO N#CC1(c2ccc(Br)cc2)CC[NH+](CCC2CC2)CC1 ZINC001208685091 1019586100 /nfs/dbraw/zinc/58/61/00/1019586100.db2.gz RQLUBMHTRNLFFL-UHFFFAOYSA-N 1 0 333.273 4.106 20 30 EIEDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000237183107 1032849800 /nfs/dbraw/zinc/84/98/00/1032849800.db2.gz LNOUJZOKZKYJJQ-HNNXBMFYSA-N 1 0 341.430 4.035 20 30 EIEDRO CC1(C)C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]2CCC[C@@H]21 ZINC000339709583 1019838453 /nfs/dbraw/zinc/83/84/53/1019838453.db2.gz DWEPXUOUIWAXAI-ICSRJNTNSA-N 1 0 349.478 4.248 20 30 EIEDRO N#CC1(CCC[N@H+]2CC=C(c3ccccc3F)CC2)CCOCC1 ZINC000375600048 1019861143 /nfs/dbraw/zinc/86/11/43/1019861143.db2.gz WRLPKFZKGMBPGF-UHFFFAOYSA-N 1 0 328.431 4.015 20 30 EIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000535626369 1019984017 /nfs/dbraw/zinc/98/40/17/1019984017.db2.gz MRYREYUBERLYRK-HNNXBMFYSA-N 1 0 326.415 4.017 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000237580678 1032871947 /nfs/dbraw/zinc/87/19/47/1032871947.db2.gz LSKBBYAKVTUAFQ-KGLIPLIRSA-N 1 0 346.377 4.430 20 30 EIEDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000180248382 1020085496 /nfs/dbraw/zinc/08/54/96/1020085496.db2.gz FWXQGKRQZIYEKJ-AOMKIAJQSA-N 1 0 342.446 4.152 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001167115498 1020212152 /nfs/dbraw/zinc/21/21/52/1020212152.db2.gz CQDYZCFNBVHXRZ-SFHVURJKSA-N 1 0 325.500 4.207 20 30 EIEDRO C[NH2+]Cc1cn(-c2nc(Cl)c(Cl)cc2C#N)c2ccc(C)cc12 ZINC001167123694 1020272988 /nfs/dbraw/zinc/27/29/88/1020272988.db2.gz OPRHQXNFGFUZCF-UHFFFAOYSA-N 1 0 345.233 4.232 20 30 EIEDRO C=CCCCCCCC[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001209439658 1020345671 /nfs/dbraw/zinc/34/56/71/1020345671.db2.gz UVJHWLZIUVBKGP-LDLYASANSA-N 1 0 332.532 4.140 20 30 EIEDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000579900553 1020592440 /nfs/dbraw/zinc/59/24/40/1020592440.db2.gz LECWOABYQBOONQ-CYBMUJFWSA-N 1 0 348.368 4.394 20 30 EIEDRO C=CCCCCC[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001167226963 1020602924 /nfs/dbraw/zinc/60/29/24/1020602924.db2.gz FCQSWNASPPBTGE-UHFFFAOYSA-N 1 0 335.561 4.305 20 30 EIEDRO CC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000510252377 1020668416 /nfs/dbraw/zinc/66/84/16/1020668416.db2.gz JIESDWDCBIVVNF-SFHVURJKSA-N 1 0 343.854 4.450 20 30 EIEDRO CC[N@H+](CCCCOc1ccc(Br)cc1)C[C@@H](C)C#N ZINC001167251807 1020673211 /nfs/dbraw/zinc/67/32/11/1020673211.db2.gz KUIMGRNXSSWJQJ-AWEZNQCLSA-N 1 0 339.277 4.090 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccncc1F ZINC000340298035 1020744490 /nfs/dbraw/zinc/74/44/90/1020744490.db2.gz VQCUCFAZCMKYFY-OOHWJJMZSA-N 1 0 339.414 4.133 20 30 EIEDRO C=CC[C@H]1[N@H+](Cc2csc(-c3cnn(C)c3)n2)CCCC1(C)C ZINC000683528198 1020863676 /nfs/dbraw/zinc/86/36/76/1020863676.db2.gz XXXMTQWWFGJRNN-MRXNPFEDSA-N 1 0 330.501 4.110 20 30 EIEDRO CC1CCN([C@@H](C[NH2+]Cc2ccc(C#N)s2)c2cccs2)CC1 ZINC000176941251 1020936338 /nfs/dbraw/zinc/93/63/38/1020936338.db2.gz SCWMOGGMJAHHRD-KRWDZBQOSA-N 1 0 345.537 4.244 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000177112471 1020954393 /nfs/dbraw/zinc/95/43/93/1020954393.db2.gz HBHTUWOCWIOHGP-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000340446030 1021041277 /nfs/dbraw/zinc/04/12/77/1021041277.db2.gz NDXRQNZYKKGWRL-UTKZUKDTSA-N 1 0 349.478 4.474 20 30 EIEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[C@H]1C ZINC000340458106 1021052469 /nfs/dbraw/zinc/05/24/69/1021052469.db2.gz XYUCMFXIGBIYAH-GSEOLPGOSA-N 1 0 342.483 4.379 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000090451358 1021089697 /nfs/dbraw/zinc/08/96/97/1021089697.db2.gz JRVADLOKWDBCKM-AWEZNQCLSA-N 1 0 346.496 4.370 20 30 EIEDRO CCCCN(C)C[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000580004405 1021095325 /nfs/dbraw/zinc/09/53/25/1021095325.db2.gz PDDXSHCCEPLPAG-PELRDEGISA-N 1 0 327.516 4.101 20 30 EIEDRO O[C@H](C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1)c1cccs1 ZINC000175837425 1021129493 /nfs/dbraw/zinc/12/94/93/1021129493.db2.gz QPJFKYLJZSSELL-ZWKOTPCHSA-N 1 0 345.895 4.341 20 30 EIEDRO C[C@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO[C@@H]1C1CC1 ZINC000468045133 1021158673 /nfs/dbraw/zinc/15/86/73/1021158673.db2.gz QEISPBZWPQOALT-PWAJEDTMSA-N 1 0 338.495 4.185 20 30 EIEDRO C=C(C)CC[NH2+][C@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639225922 1021238910 /nfs/dbraw/zinc/23/89/10/1021238910.db2.gz BAYWGEDTVLEOEV-IRXDYDNUSA-N 1 0 337.305 4.140 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000340535372 1021303479 /nfs/dbraw/zinc/30/34/79/1021303479.db2.gz MPBIDISLUQSWOV-FQEVSTJZSA-N 1 0 338.476 4.164 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000610343461 1021337933 /nfs/dbraw/zinc/33/79/33/1021337933.db2.gz HOMYDFJTYAADOW-RYUDHWBXSA-N 1 0 345.805 4.029 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)c1cccc(C#N)c1 ZINC000610343411 1021338360 /nfs/dbraw/zinc/33/83/60/1021338360.db2.gz FZFJGHBKCJVIER-CVEARBPZSA-N 1 0 343.430 4.389 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000610343476 1021338699 /nfs/dbraw/zinc/33/86/99/1021338699.db2.gz IRNNCZMASILOCU-NWDGAFQWSA-N 1 0 345.805 4.029 20 30 EIEDRO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000610343573 1021338980 /nfs/dbraw/zinc/33/89/80/1021338980.db2.gz LSUFASZRMYZISG-FIKGOQFSSA-N 1 0 349.478 4.255 20 30 EIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610345876 1021343269 /nfs/dbraw/zinc/34/32/69/1021343269.db2.gz BCVQXTWKISGXIC-ZWKOTPCHSA-N 1 0 349.478 4.035 20 30 EIEDRO Cc1ccccc1C([NH2+]Cc1ccnc(C#N)c1)c1ccccc1C ZINC000612789712 1021374361 /nfs/dbraw/zinc/37/43/61/1021374361.db2.gz UPUIUQNFDYIXOV-UHFFFAOYSA-N 1 0 327.431 4.449 20 30 EIEDRO Cc1c(C[NH+]2CCSCC2)cccc1N[C@H](C)CC(C)(C)C#N ZINC000926077930 1021399526 /nfs/dbraw/zinc/39/95/26/1021399526.db2.gz SERCCCJXVABOCZ-OAHLLOKOSA-N 1 0 331.529 4.284 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000177683339 1021434284 /nfs/dbraw/zinc/43/42/84/1021434284.db2.gz UUYHABQXLWNMHX-JTQLQIEISA-N 1 0 326.343 4.369 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCc2ccccc2C)cc1 ZINC000545272620 1021463626 /nfs/dbraw/zinc/46/36/26/1021463626.db2.gz LRBQMAVXDRQFKW-PXNSSMCTSA-N 1 0 325.452 4.162 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177743863 1021632389 /nfs/dbraw/zinc/63/23/89/1021632389.db2.gz DGCXZWCTGNKNPP-FGZHOGPDSA-N 1 0 346.405 4.110 20 30 EIEDRO COc1ccccc1[C@@H](CNc1cccc(C(F)F)c1C#N)[NH+](C)C ZINC000579977903 1021666529 /nfs/dbraw/zinc/66/65/29/1021666529.db2.gz LKWQAVBKMZVEFD-QGZVFWFLSA-N 1 0 345.393 4.219 20 30 EIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)s1 ZINC000376177501 1021670134 /nfs/dbraw/zinc/67/01/34/1021670134.db2.gz IINYRVLYUXYQLL-AUUYWEPGSA-N 1 0 326.465 4.438 20 30 EIEDRO N#Cc1ccc(CN(CCc2ccccc2)Cc2ccncc2)c(F)c1 ZINC000580364014 1021777066 /nfs/dbraw/zinc/77/70/66/1021777066.db2.gz ZIHRSNYTYBTRTQ-UHFFFAOYSA-N 1 0 345.421 4.337 20 30 EIEDRO C[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000580422889 1021778798 /nfs/dbraw/zinc/77/87/98/1021778798.db2.gz TXEOSNJLHUYMGF-AWEZNQCLSA-N 1 0 341.842 4.233 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000580493929 1021790131 /nfs/dbraw/zinc/79/01/31/1021790131.db2.gz UOSYQBMKADJZBY-AWEZNQCLSA-N 1 0 338.411 4.008 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(Br)c2Cl)cc1 ZINC000706558368 1021897228 /nfs/dbraw/zinc/89/72/28/1021897228.db2.gz XLOPJVUBUUROCT-UHFFFAOYSA-N 1 0 335.632 4.264 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282359865 1021943636 /nfs/dbraw/zinc/94/36/36/1021943636.db2.gz BGIMQNOAYHQOFP-IBGZPJMESA-N 1 0 327.516 4.207 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282359870 1021945061 /nfs/dbraw/zinc/94/50/61/1021945061.db2.gz BGIMQNOAYHQOFP-LJQANCHMSA-N 1 0 327.516 4.207 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Br)s1)c1ccc(C#N)cc1 ZINC000173854654 1021979287 /nfs/dbraw/zinc/97/92/87/1021979287.db2.gz KDPZQWTVACYYPJ-LLVKDONJSA-N 1 0 335.270 4.276 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1C ZINC000376278928 1021982205 /nfs/dbraw/zinc/98/22/05/1021982205.db2.gz BOXMCRCLFCHBSW-QGZVFWFLSA-N 1 0 344.462 4.426 20 30 EIEDRO C[N@@H+]1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@@H]1c1ccccc1 ZINC000613430905 1022013152 /nfs/dbraw/zinc/01/31/52/1022013152.db2.gz HXOBHTQIGOWVSS-MJGOQNOKSA-N 1 0 334.467 4.108 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)CC#N)cnn1-c1cccc(Cl)c1 ZINC000414168109 1022015578 /nfs/dbraw/zinc/01/55/78/1022015578.db2.gz QGVMUSMKXKOMFN-CYBMUJFWSA-N 1 0 330.863 4.425 20 30 EIEDRO COc1cncc(/C=C/CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000580427659 1022020800 /nfs/dbraw/zinc/02/08/00/1022020800.db2.gz IYJAOFWEAWPJFX-DUXPYHPUSA-N 1 0 345.446 4.154 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000377833418 1022038766 /nfs/dbraw/zinc/03/87/66/1022038766.db2.gz DOQZXTNNPOQXPX-QUCCMNQESA-N 1 0 342.483 4.008 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)CC2 ZINC000579652164 1022057354 /nfs/dbraw/zinc/05/73/54/1022057354.db2.gz QEHJNFJLSWOMBO-HKBOAZHASA-N 1 0 336.410 4.195 20 30 EIEDRO C=CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC001167406766 1022066878 /nfs/dbraw/zinc/06/68/78/1022066878.db2.gz VSXNIEXHTKYPKH-IAGOWNOFSA-N 1 0 336.479 4.304 20 30 EIEDRO C=CC1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC001167406987 1022069620 /nfs/dbraw/zinc/06/96/20/1022069620.db2.gz ZJZIKJCYGLCKBV-UHFFFAOYSA-N 1 0 326.415 4.198 20 30 EIEDRO C=CCN1CCC([NH2+]C/C(C)=C/c2cccc(C(F)(F)F)c2)CC1 ZINC000580477069 1022071611 /nfs/dbraw/zinc/07/16/11/1022071611.db2.gz VOEWKEMKQWJIPC-NTCAYCPXSA-N 1 0 338.417 4.349 20 30 EIEDRO COc1ccc(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)c(Cl)c1 ZINC000582575962 1022086094 /nfs/dbraw/zinc/08/60/94/1022086094.db2.gz OGZHYQSSBFRNQC-IBGZPJMESA-N 1 0 326.827 4.040 20 30 EIEDRO CC(C)c1nnc([C@H]2CC23CC[NH+](CCCC(C)(C)C#N)CC3)o1 ZINC000377933329 1022111681 /nfs/dbraw/zinc/11/16/81/1022111681.db2.gz UIJQVOHSOHSKTB-OAHLLOKOSA-N 1 0 330.476 4.092 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000549035587 1022188502 /nfs/dbraw/zinc/18/85/02/1022188502.db2.gz CIOFAMJTFUMWPD-UHFFFAOYSA-N 1 0 340.511 4.491 20 30 EIEDRO CO[C@](C)([C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CC1 ZINC000414236710 1022253487 /nfs/dbraw/zinc/25/34/87/1022253487.db2.gz LBXOWSPEKBNMJX-FZQMEJGWSA-N 1 0 326.484 4.184 20 30 EIEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415938072 1022254887 /nfs/dbraw/zinc/25/48/87/1022254887.db2.gz XNRYVSLWFPXSCB-UHFFFAOYSA-N 1 0 341.430 4.155 20 30 EIEDRO C=CC[C@@H]1N(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCCC1(C)C ZINC000415969473 1022317212 /nfs/dbraw/zinc/31/72/12/1022317212.db2.gz GYWIEXSOUIGDLK-KRWDZBQOSA-N 1 0 345.462 4.070 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000341290118 1022369207 /nfs/dbraw/zinc/36/92/07/1022369207.db2.gz NOGXXQPJETZFGQ-GOSISDBHSA-N 1 0 341.842 4.281 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341294308 1022377198 /nfs/dbraw/zinc/37/71/98/1022377198.db2.gz RSEUAHUJINWJBH-SCLBCKFNSA-N 1 0 341.842 4.280 20 30 EIEDRO C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000378106789 1022379541 /nfs/dbraw/zinc/37/95/41/1022379541.db2.gz ZKQZMXVWICRYAX-PKOBYXMFSA-N 1 0 346.902 4.217 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000414294777 1022425263 /nfs/dbraw/zinc/42/52/63/1022425263.db2.gz DUXWWYVHWAGIPP-LPHOPBHVSA-N 1 0 334.467 4.184 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000414300922 1022441295 /nfs/dbraw/zinc/44/12/95/1022441295.db2.gz MLDZCFICVVBZFO-UWJYYQICSA-N 1 0 336.479 4.226 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000414307748 1022469398 /nfs/dbraw/zinc/46/93/98/1022469398.db2.gz RYKPESSAVPKEKI-QUZZAMIASA-N 1 0 327.493 4.262 20 30 EIEDRO CC1(c2nc3ccccc3s2)CC[NH+](CCCSCC#N)CC1 ZINC000375633536 1022506473 /nfs/dbraw/zinc/50/64/73/1022506473.db2.gz ZSTBNNNLMGSZRS-UHFFFAOYSA-N 1 0 345.537 4.297 20 30 EIEDRO N#Cc1cc(F)c(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000310863669 1022516489 /nfs/dbraw/zinc/51/64/89/1022516489.db2.gz DEPPLCVPNIXLQL-INIZCTEOSA-N 1 0 341.405 4.161 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCC[C@@H]2CCCCO2)ccc1OC ZINC000186286675 1022556867 /nfs/dbraw/zinc/55/68/67/1022556867.db2.gz MJZUVCQFEOCJHI-SFHVURJKSA-N 1 0 333.472 4.089 20 30 EIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449081504 1022564303 /nfs/dbraw/zinc/56/43/03/1022564303.db2.gz FVXIAECBQSCDCD-IGEOTXOUSA-N 1 0 335.289 4.442 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)s1 ZINC000180620759 1022752671 /nfs/dbraw/zinc/75/26/71/1022752671.db2.gz SRXYCCRLAWDOIW-RHSMWYFYSA-N 1 0 330.453 4.081 20 30 EIEDRO C=C[C@@](C)(CC)c1nc(-c2ccccc2OCC[NH+](CC)CC)no1 ZINC000580976766 1022772200 /nfs/dbraw/zinc/77/22/00/1022772200.db2.gz IFYMDDBGYGZTJE-FQEVSTJZSA-N 1 0 343.471 4.311 20 30 EIEDRO COc1cc(CN(Cc2ccc(Cl)cc2C#N)C2CC2)ccc1O ZINC000187364902 1022832907 /nfs/dbraw/zinc/83/29/07/1022832907.db2.gz XFFFKTICPYXXLM-UHFFFAOYSA-N 1 0 342.826 4.090 20 30 EIEDRO C=CCc1cc(C[NH2+]CCc2ccc(CC)cc2)cc(OC)c1O ZINC000605592321 1022922038 /nfs/dbraw/zinc/92/20/38/1022922038.db2.gz NUMJJYCWDKLSJW-UHFFFAOYSA-N 1 0 325.452 4.024 20 30 EIEDRO N#Cc1c(N)sc(C[NH+]2CCC(c3ccccc3)CC2)c1Cl ZINC001141109855 1022924902 /nfs/dbraw/zinc/92/49/02/1022924902.db2.gz VPXSUGOZUSGNIF-UHFFFAOYSA-N 1 0 331.872 4.235 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000162278445 1022970240 /nfs/dbraw/zinc/97/02/40/1022970240.db2.gz DEIGHYAJHUXESQ-LSDHHAIUSA-N 1 0 327.399 4.258 20 30 EIEDRO COc1cc(C#N)ccc1OCCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000511597823 1023117834 /nfs/dbraw/zinc/11/78/34/1023117834.db2.gz VWRNZAQYTSUBOQ-KRWDZBQOSA-N 1 0 342.826 4.046 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000328776161 1023179526 /nfs/dbraw/zinc/17/95/26/1023179526.db2.gz KWIUJFRBNPBIJE-NSHDSACASA-N 1 0 336.386 4.353 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cccc2cnccc21 ZINC000181502615 1023231562 /nfs/dbraw/zinc/23/15/62/1023231562.db2.gz HVRZLKBBLHQOSY-UHFFFAOYSA-N 1 0 333.460 4.129 20 30 EIEDRO CC(C)C[C@@H]([NH3+])c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 ZINC000414619418 1023295834 /nfs/dbraw/zinc/29/58/34/1023295834.db2.gz OAUXYFHGHVZSOF-KBOKABMXSA-N 1 0 349.438 4.154 20 30 EIEDRO CC(C)OCCC[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376843206 1023322134 /nfs/dbraw/zinc/32/21/34/1023322134.db2.gz OWWWKTNIMSVEOI-AWEZNQCLSA-N 1 0 329.469 4.147 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000376954656 1023340131 /nfs/dbraw/zinc/34/01/31/1023340131.db2.gz LUMULYGJYQZMHA-OKCRPCIYSA-N 1 0 340.511 4.243 20 30 EIEDRO N#CC[C@@H](CC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccccc1 ZINC000377088171 1023366842 /nfs/dbraw/zinc/36/68/42/1023366842.db2.gz APSZDTUMYJJSRX-KRWDZBQOSA-N 1 0 345.446 4.191 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCc2cccc(Br)c2)s1 ZINC000610511393 1023381798 /nfs/dbraw/zinc/38/17/98/1023381798.db2.gz FQFSUFIBXFXIJF-UHFFFAOYSA-N 1 0 335.270 4.105 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415024135 1023395656 /nfs/dbraw/zinc/39/56/56/1023395656.db2.gz MXINNFARFMHOAW-GOSISDBHSA-N 1 0 338.451 4.226 20 30 EIEDRO CC(C)(C)N1CC[C@H]([NH2+]CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549476602 1023401932 /nfs/dbraw/zinc/40/19/32/1023401932.db2.gz FYXWLVXFMPWASO-DLBZAZTESA-N 1 0 349.881 4.286 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC1CC[NH+](CC)CC1 ZINC000276383762 1023410347 /nfs/dbraw/zinc/41/03/47/1023410347.db2.gz HAVRSZRFKFOHFN-UHFFFAOYSA-N 1 0 329.488 4.144 20 30 EIEDRO Cc1ccc(C2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cn1 ZINC000377248991 1023427875 /nfs/dbraw/zinc/42/78/75/1023427875.db2.gz IMMWJMNJRRQNSZ-UHFFFAOYSA-N 1 0 348.494 4.120 20 30 EIEDRO CN(C)[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000500001258 1023443644 /nfs/dbraw/zinc/44/36/44/1023443644.db2.gz JKGLMBRNCILANB-KOENEWCDSA-N 1 0 347.506 4.283 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC001167746488 1023491658 /nfs/dbraw/zinc/49/16/58/1023491658.db2.gz WWISRZNJKKMLGF-QFIPXVFZSA-N 1 0 327.431 4.007 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000341278611 1023497847 /nfs/dbraw/zinc/49/78/47/1023497847.db2.gz FVXCKVYIDIVYSL-KRWDZBQOSA-N 1 0 347.890 4.066 20 30 EIEDRO CN(Cc1ccc(C#N)cc1)Cc1cc(OC(F)(F)F)ccc1F ZINC001143543071 1033138362 /nfs/dbraw/zinc/13/83/62/1033138362.db2.gz NIROQPJQFLPIIH-UHFFFAOYSA-N 1 0 338.304 4.228 20 30 EIEDRO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]CCCCC#N)n2c1 ZINC000892929362 1023509946 /nfs/dbraw/zinc/50/99/46/1023509946.db2.gz IDDHTLMXEWDOJY-UHFFFAOYSA-N 1 0 336.414 4.232 20 30 EIEDRO CSc1ccc(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)cc1C#N ZINC000926868060 1023531432 /nfs/dbraw/zinc/53/14/32/1023531432.db2.gz GZDGDMTYYGGEQM-INIZCTEOSA-N 1 0 343.883 4.496 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000418129986 1023547414 /nfs/dbraw/zinc/54/74/14/1023547414.db2.gz TZKITSQNIMTCPT-IBGZPJMESA-N 1 0 330.497 4.087 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccco1 ZINC000276462159 1023562251 /nfs/dbraw/zinc/56/22/51/1023562251.db2.gz OEAPSRWTVASTFQ-GOSISDBHSA-N 1 0 325.456 4.462 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1ccc(OCC#N)cc1 ZINC000276474395 1023572779 /nfs/dbraw/zinc/57/27/79/1023572779.db2.gz RYHJABRATAGVPQ-LPHOPBHVSA-N 1 0 328.456 4.121 20 30 EIEDRO C[C@@]1([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCOc2ccccc21 ZINC000933372994 1023605475 /nfs/dbraw/zinc/60/54/75/1023605475.db2.gz ZMBBRVUZLBCCNW-GOSISDBHSA-N 1 0 346.352 4.365 20 30 EIEDRO Cc1ccc(C(=O)C2CC[NH+](CCc3ccc(C#N)cc3)CC2)cc1 ZINC000659848353 1023614829 /nfs/dbraw/zinc/61/48/29/1023614829.db2.gz CHZUZTJRCDBOCH-UHFFFAOYSA-N 1 0 332.447 4.004 20 30 EIEDRO CN1CC[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1c1ccc(Cl)cc1 ZINC000377667466 1023668262 /nfs/dbraw/zinc/66/82/62/1023668262.db2.gz KCDNAKBOQAJZOC-ZWKOTPCHSA-N 1 0 333.907 4.395 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(C#N)s4)C3)nc2c1 ZINC000584299258 1023686591 /nfs/dbraw/zinc/68/65/91/1023686591.db2.gz DRIMHUGIIWYTLI-AWEZNQCLSA-N 1 0 336.464 4.184 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000511658563 1023688597 /nfs/dbraw/zinc/68/85/97/1023688597.db2.gz ZFMWDVJYSRZLBO-UHFFFAOYSA-N 1 0 349.261 4.250 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000429801141 1023704048 /nfs/dbraw/zinc/70/40/48/1023704048.db2.gz GNZNRHTWOUKWLJ-UHFFFAOYSA-N 1 0 328.500 4.281 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000415583431 1023708797 /nfs/dbraw/zinc/70/87/97/1023708797.db2.gz QXTNLDODGOHXEF-FQEVSTJZSA-N 1 0 331.504 4.424 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000415584452 1023709246 /nfs/dbraw/zinc/70/92/46/1023709246.db2.gz SMBFVHXWGCXZSC-WBVHZDCISA-N 1 0 329.488 4.130 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cc4ccccc4o3)CC2)cc1 ZINC000181554797 1023754857 /nfs/dbraw/zinc/75/48/57/1023754857.db2.gz JATUXWJPXVJVBN-UHFFFAOYSA-N 1 0 345.446 4.059 20 30 EIEDRO Cc1[nH]c2ccc(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)cc2c1C ZINC000728712190 1023758731 /nfs/dbraw/zinc/75/87/31/1023758731.db2.gz YHKQVNDKWAPKTL-AWEZNQCLSA-N 1 0 333.435 4.365 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(C#N)c1 ZINC000178177937 1023780874 /nfs/dbraw/zinc/78/08/74/1023780874.db2.gz WGBXYXVSHRPQFY-CVEARBPZSA-N 1 0 333.435 4.097 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660447136 1023809444 /nfs/dbraw/zinc/80/94/44/1023809444.db2.gz OVZAQOIBSJFFOJ-FQEVSTJZSA-N 1 0 342.527 4.349 20 30 EIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C)c(C#N)c1)CCC2 ZINC001167767596 1023885424 /nfs/dbraw/zinc/88/54/24/1023885424.db2.gz YBMOZHWWMTWMBE-KRWDZBQOSA-N 1 0 325.481 4.395 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](C3CC(OCc4ccccc4)C3)CC2)cc1 ZINC000933608293 1023894976 /nfs/dbraw/zinc/89/49/76/1023894976.db2.gz XONHMITVKYAKJM-UHFFFAOYSA-N 1 0 346.474 4.485 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000581973114 1023961357 /nfs/dbraw/zinc/96/13/57/1023961357.db2.gz YAOYOGDAMKNPHI-SJKOYZFVSA-N 1 0 343.298 4.130 20 30 EIEDRO Fc1cc(F)c(C[NH2+]C2CCC(C(F)(F)F)CC2)c(F)c1F ZINC000430725702 1023989048 /nfs/dbraw/zinc/98/90/48/1023989048.db2.gz RUKSCOVGWDUKQI-UHFFFAOYSA-N 1 0 329.259 4.454 20 30 EIEDRO C=CC[C@]1(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)CCC[NH2+]1 ZINC000662749770 1024000355 /nfs/dbraw/zinc/00/03/55/1024000355.db2.gz QFNMBONVSCZIHF-LAUBAEHRSA-N 1 0 341.499 4.011 20 30 EIEDRO C=CC[C@]1(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)CCC[NH2+]1 ZINC000662749769 1024000659 /nfs/dbraw/zinc/00/06/59/1024000659.db2.gz QFNMBONVSCZIHF-DYESRHJHSA-N 1 0 341.499 4.011 20 30 EIEDRO Cc1c([C@H](C)[NH2+]CC2(CC#N)CC2)cnn1-c1cccc(Cl)c1 ZINC000430759654 1024016866 /nfs/dbraw/zinc/01/68/66/1024016866.db2.gz HATUUDVBDCCZRG-ZDUSSCGKSA-N 1 0 328.847 4.179 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nc(-c3ccccc3OC)no2)C1 ZINC000651784514 1024019421 /nfs/dbraw/zinc/01/94/21/1024019421.db2.gz SOBJIZFCFDQEIW-RBSFLKMASA-N 1 0 327.428 4.141 20 30 EIEDRO C[NH+](C)CCc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)cc1 ZINC000593954851 1024034656 /nfs/dbraw/zinc/03/46/56/1024034656.db2.gz SDPFMHGYQZTXRI-UHFFFAOYSA-N 1 0 334.463 4.029 20 30 EIEDRO Cc1cccc(NC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c1 ZINC000477761446 1024154569 /nfs/dbraw/zinc/15/45/69/1024154569.db2.gz FOXVPGQMQNIHJJ-UHFFFAOYSA-N 1 0 349.478 4.212 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000651700197 1024232174 /nfs/dbraw/zinc/23/21/74/1024232174.db2.gz XFZJFFRTYAJLRI-FXAWDEMLSA-N 1 0 329.484 4.217 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000651710704 1024241868 /nfs/dbraw/zinc/24/18/68/1024241868.db2.gz LAHBDAOEXKZHSQ-WBVHZDCISA-N 1 0 327.497 4.472 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]3CCCF)C2)c(F)c1 ZINC000510698218 1024247811 /nfs/dbraw/zinc/24/78/11/1024247811.db2.gz FNMJIARVYMFCIH-LNLFQRSKSA-N 1 0 347.453 4.174 20 30 EIEDRO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH+]3CCC(C#N)CC3)n2c1 ZINC000891852919 1024354498 /nfs/dbraw/zinc/35/44/98/1024354498.db2.gz WKCIPDJBQJMSCL-UHFFFAOYSA-N 1 0 348.425 4.184 20 30 EIEDRO CC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CCCCC1 ZINC000610660791 1024425931 /nfs/dbraw/zinc/42/59/31/1024425931.db2.gz SZHUEUNHZHSVIN-UHFFFAOYSA-N 1 0 347.890 4.241 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341758856 1024616225 /nfs/dbraw/zinc/61/62/25/1024616225.db2.gz DTUVMFIDNVOONG-AUUYWEPGSA-N 1 0 336.435 4.304 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000341758505 1024616488 /nfs/dbraw/zinc/61/64/88/1024616488.db2.gz QFVIOWJATWPCFP-GOSISDBHSA-N 1 0 336.826 4.027 20 30 EIEDRO CCN(Cc1cc(OC)c(OC)cc1-c1ccccc1)C[C@H](C)C#N ZINC000091982929 1024708786 /nfs/dbraw/zinc/70/87/86/1024708786.db2.gz VVJYRJRMGDYRPC-MRXNPFEDSA-N 1 0 338.451 4.352 20 30 EIEDRO CC(C)c1ccc([C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)C(C)C)cc1 ZINC000510923211 1024824161 /nfs/dbraw/zinc/82/41/61/1024824161.db2.gz XAALQDHTKBUWEX-NHCUHLMSSA-N 1 0 343.515 4.151 20 30 EIEDRO N#CCCn1cc(C[NH2+][C@H]2CC23CCCCC3)c(-c2ccccc2)n1 ZINC000598983560 1024848415 /nfs/dbraw/zinc/84/84/15/1024848415.db2.gz PNFQOPSSYSOAAB-IBGZPJMESA-N 1 0 334.467 4.276 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000662079706 1024849684 /nfs/dbraw/zinc/84/96/84/1024849684.db2.gz LOTBVYGRJKVCOT-CWRNSKLLSA-N 1 0 327.403 4.428 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCC(F)(F)C2)c1 ZINC000610787776 1024850582 /nfs/dbraw/zinc/85/05/82/1024850582.db2.gz NWAMVPLDLWHVCS-SFHVURJKSA-N 1 0 342.389 4.415 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCC(F)(F)C3)c2)c1 ZINC000610787778 1024852262 /nfs/dbraw/zinc/85/22/62/1024852262.db2.gz ONISSAIGKBKBFM-GOSISDBHSA-N 1 0 342.389 4.415 20 30 EIEDRO CC(C)Oc1ccc2ccccc2c1C[NH+]1CCC(F)(C#N)CC1 ZINC000510938700 1024854678 /nfs/dbraw/zinc/85/46/78/1024854678.db2.gz TWGQFAHMWODGCM-UHFFFAOYSA-N 1 0 326.415 4.455 20 30 EIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000510962767 1024867850 /nfs/dbraw/zinc/86/78/50/1024867850.db2.gz SNJDXMOMYHWMCR-VOJFVSQTSA-N 1 0 328.362 4.183 20 30 EIEDRO N#CCc1ccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000248851631 1024872271 /nfs/dbraw/zinc/87/22/71/1024872271.db2.gz BIPXFMNUOQYFDZ-BAGYTPMASA-N 1 0 331.463 4.075 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000926309381 1024951144 /nfs/dbraw/zinc/95/11/44/1024951144.db2.gz ATSKXSGPMPFPJW-AWEZNQCLSA-N 1 0 327.403 4.431 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341922902 1024994612 /nfs/dbraw/zinc/99/46/12/1024994612.db2.gz BAYXEFUYKXLQHP-NRFANRHFSA-N 1 0 347.462 4.230 20 30 EIEDRO CC[C@H]([NH2+]CCCCC#N)c1ccc(I)cc1 ZINC000610810324 1024995032 /nfs/dbraw/zinc/99/50/32/1024995032.db2.gz JLCDTLWFWZSQGV-AWEZNQCLSA-N 1 0 342.224 4.026 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N(CC(F)(F)F)C(C)C)c1ccccc1 ZINC000341930373 1024998772 /nfs/dbraw/zinc/99/87/72/1024998772.db2.gz LOUGVRNCBZLBGB-INIZCTEOSA-N 1 0 342.405 4.083 20 30 EIEDRO CC(C)CC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000610813562 1025019130 /nfs/dbraw/zinc/01/91/30/1025019130.db2.gz KWCDQMLYJLKGOS-LJQANCHMSA-N 1 0 333.907 4.395 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(C2CCCCC2)cc1 ZINC000610813642 1025020733 /nfs/dbraw/zinc/02/07/33/1025020733.db2.gz NJMILHOKWFFTPL-QGZVFWFLSA-N 1 0 325.500 4.373 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000610813025 1025032483 /nfs/dbraw/zinc/03/24/83/1025032483.db2.gz VNOACMXVHDWVFN-INIZCTEOSA-N 1 0 326.271 4.022 20 30 EIEDRO C[N@H+](Cc1csc(C#N)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000893567051 1025063326 /nfs/dbraw/zinc/06/33/26/1025063326.db2.gz JJGDVPSGLBLUMX-SJLPKXTDSA-N 1 0 330.428 4.111 20 30 EIEDRO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001126244197 1025181279 /nfs/dbraw/zinc/18/12/79/1025181279.db2.gz UDIYHASCPUKXGM-QWFCFKBJSA-N 1 0 328.500 4.100 20 30 EIEDRO COc1ccccc1CN(Cc1cccs1)Cc1ccnc(C#N)c1 ZINC000610991683 1025214331 /nfs/dbraw/zinc/21/43/31/1025214331.db2.gz MBAXYZMVTDMJOM-UHFFFAOYSA-N 1 0 349.459 4.226 20 30 EIEDRO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000150852603 1025219900 /nfs/dbraw/zinc/21/99/00/1025219900.db2.gz RETYONIMDPHWBN-SJLPKXTDSA-N 1 0 332.513 4.016 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000067690261 1025239422 /nfs/dbraw/zinc/23/94/22/1025239422.db2.gz CVXWIBHCJXEDED-MRXNPFEDSA-N 1 0 341.451 4.428 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)cc1 ZINC000067690262 1025240138 /nfs/dbraw/zinc/24/01/38/1025240138.db2.gz CVXWIBHCJXEDED-INIZCTEOSA-N 1 0 341.451 4.428 20 30 EIEDRO N#Cc1cc(CN2CCC[C@H]2c2ccccc2Br)ccn1 ZINC000610994630 1025240845 /nfs/dbraw/zinc/24/08/45/1025240845.db2.gz LEEZRQKVJTVLPG-KRWDZBQOSA-N 1 0 342.240 4.053 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000582011173 1025251484 /nfs/dbraw/zinc/25/14/84/1025251484.db2.gz RURPRQMNPTZEHS-MRXNPFEDSA-N 1 0 342.405 4.171 20 30 EIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998934 1025253037 /nfs/dbraw/zinc/25/30/37/1025253037.db2.gz VXWTUECUSDAQRE-AVRDEDQJSA-N 1 0 344.462 4.464 20 30 EIEDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC001167499326 1025336448 /nfs/dbraw/zinc/33/64/48/1025336448.db2.gz GMIPXAYMWMAASO-LAUBAEHRSA-N 1 0 347.462 4.012 20 30 EIEDRO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000181916444 1025355184 /nfs/dbraw/zinc/35/51/84/1025355184.db2.gz AYBZNOVZSPAPNC-AWEZNQCLSA-N 1 0 335.382 4.246 20 30 EIEDRO COc1ccc(Oc2cc(C[NH2+]Cc3cccc(C#N)c3)ccn2)cc1 ZINC000048745409 1025439785 /nfs/dbraw/zinc/43/97/85/1025439785.db2.gz CLFQOUNPNZLCIS-UHFFFAOYSA-N 1 0 345.402 4.044 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)o1 ZINC000091891864 1025610943 /nfs/dbraw/zinc/61/09/43/1025610943.db2.gz RGMZACNUTIETBS-WMLDXEAASA-N 1 0 330.453 4.081 20 30 EIEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](c1cccc(Cl)c1)C(C)C ZINC001626750723 1025804997 /nfs/dbraw/zinc/80/49/97/1025804997.db2.gz DVTOLLHHXDMMGH-SFHVURJKSA-N 1 0 336.907 4.046 20 30 EIEDRO C[C@@H]1CSc2ccccc2C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000369193057 1025848192 /nfs/dbraw/zinc/84/81/92/1025848192.db2.gz JGAFGTNMYWIJIF-MRXNPFEDSA-N 1 0 330.497 4.083 20 30 EIEDRO C[C@@](C#N)(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1Cl ZINC001167967866 1025883588 /nfs/dbraw/zinc/88/35/88/1025883588.db2.gz JXEHFTIKVRWCTL-KRXYWNSISA-N 1 0 343.902 4.074 20 30 EIEDRO Cc1ccccc1[C@H](NCc1ncc(C#N)cn1)[C@@H]1CCC[C@H](C)C1 ZINC000582052785 1026034671 /nfs/dbraw/zinc/03/46/71/1026034671.db2.gz SJCPXQCBXIEEHK-RRMPHLOHSA-N 1 0 334.467 4.314 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC000072015433 1026075289 /nfs/dbraw/zinc/07/52/89/1026075289.db2.gz QODZUZYUEUXPRN-UHFFFAOYSA-N 1 0 348.446 4.071 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H]1CCCc2ccc(F)cc21 ZINC000512147735 1026140634 /nfs/dbraw/zinc/14/06/34/1026140634.db2.gz LRENAMJIHWHCGP-HXUWFJFHSA-N 1 0 329.415 4.367 20 30 EIEDRO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000344222227 1026155282 /nfs/dbraw/zinc/15/52/82/1026155282.db2.gz SPULLCCSTXXDHA-MRXNPFEDSA-N 1 0 337.467 4.106 20 30 EIEDRO COc1ccc(C[NH2+]C(C)(C)c2cccs2)cc1OCCCC#N ZINC000344337637 1026257980 /nfs/dbraw/zinc/25/79/80/1026257980.db2.gz DEWYZNUPWUVFDE-UHFFFAOYSA-N 1 0 344.480 4.464 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000512188302 1026293203 /nfs/dbraw/zinc/29/32/03/1026293203.db2.gz YBWNPILLYOCCPA-SFHVURJKSA-N 1 0 333.472 4.032 20 30 EIEDRO COc1ccc2ccc(O)c(C[N@H+](CCC#N)CCC(C)C)c2c1 ZINC000728901320 1026327466 /nfs/dbraw/zinc/32/74/66/1026327466.db2.gz DCEHVMMPKUFBDW-UHFFFAOYSA-N 1 0 326.440 4.316 20 30 EIEDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000582212840 1026335444 /nfs/dbraw/zinc/33/54/44/1026335444.db2.gz CBZVFSUUJICPCU-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000894692022 1026336905 /nfs/dbraw/zinc/33/69/05/1026336905.db2.gz NQZHEROLGDJAEB-STQMWFEESA-N 1 0 335.473 4.267 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000540708433 1026466499 /nfs/dbraw/zinc/46/64/99/1026466499.db2.gz UHAAPTRWMQFPLD-ORAYPTAESA-N 1 0 326.440 4.379 20 30 EIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccccc1Cl ZINC000611589142 1026486148 /nfs/dbraw/zinc/48/61/48/1026486148.db2.gz RIQSWMKMDAVYFW-XIKOKIGWSA-N 1 0 332.806 4.389 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512245169 1026572743 /nfs/dbraw/zinc/57/27/43/1026572743.db2.gz QAGZEZASGDWXTN-CVDCTZTESA-N 1 0 345.490 4.217 20 30 EIEDRO CCCCCCCNC(=O)C1(c2ccccc2)CC[NH+](CC)CC1 ZINC001167577888 1026687810 /nfs/dbraw/zinc/68/78/10/1026687810.db2.gz XABIERAENQYRTE-UHFFFAOYSA-N 1 0 330.516 4.127 20 30 EIEDRO CCCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1OCC ZINC000507221482 1026707470 /nfs/dbraw/zinc/70/74/70/1026707470.db2.gz KIKKAWVECXFXDL-UHFFFAOYSA-N 1 0 338.451 4.378 20 30 EIEDRO C=C(C)COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1OC ZINC000507252725 1026718133 /nfs/dbraw/zinc/71/81/33/1026718133.db2.gz NNRKJQCVJILRRK-UHFFFAOYSA-N 1 0 336.435 4.154 20 30 EIEDRO C=CC[C@H]1N(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CCCC1(C)C ZINC000418673770 1026792297 /nfs/dbraw/zinc/79/22/97/1026792297.db2.gz OFCHFKZJMVPQAR-RTBURBONSA-N 1 0 343.515 4.243 20 30 EIEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000512360122 1026803773 /nfs/dbraw/zinc/80/37/73/1026803773.db2.gz SIAPEVLQJQJPAU-SFTDATJTSA-N 1 0 344.462 4.364 20 30 EIEDRO Cc1ccccc1N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487382360 1026840099 /nfs/dbraw/zinc/84/00/99/1026840099.db2.gz WKVAXQPIYUGNPP-UHFFFAOYSA-N 1 0 333.479 4.118 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(CCO)CCCCC2)CC1 ZINC000507647317 1026860332 /nfs/dbraw/zinc/86/03/32/1026860332.db2.gz AAFHWNGXYISPIG-UHFFFAOYSA-N 1 0 340.511 4.313 20 30 EIEDRO CC1(C)[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000507649514 1026861035 /nfs/dbraw/zinc/86/10/35/1026861035.db2.gz LXJPXCPKRXJGQL-CTDXPQEHSA-N 1 0 338.495 4.184 20 30 EIEDRO CN(CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)Cc1ccccc1 ZINC000507658615 1026868427 /nfs/dbraw/zinc/86/84/27/1026868427.db2.gz HLPMLTACTYHNHY-UHFFFAOYSA-N 1 0 347.506 4.112 20 30 EIEDRO CCCCOc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1OCC ZINC000507704417 1026881829 /nfs/dbraw/zinc/88/18/29/1026881829.db2.gz CFHPRAMAWLJWCM-UHFFFAOYSA-N 1 0 330.472 4.390 20 30 EIEDRO CCCCCOc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1OC ZINC000507712446 1026884639 /nfs/dbraw/zinc/88/46/39/1026884639.db2.gz CIXIQLMWVDQLQC-UHFFFAOYSA-N 1 0 330.472 4.390 20 30 EIEDRO CC(C)(C)c1ccc(CC[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000582638195 1026888164 /nfs/dbraw/zinc/88/81/64/1026888164.db2.gz SMOSSRGZAFNOQX-UHFFFAOYSA-N 1 0 347.506 4.479 20 30 EIEDRO C=C1CCC(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000889015284 1026901383 /nfs/dbraw/zinc/90/13/83/1026901383.db2.gz DOKWJSSHYALGFR-QGZVFWFLSA-N 1 0 326.484 4.075 20 30 EIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342768754 1026971153 /nfs/dbraw/zinc/97/11/53/1026971153.db2.gz NCEHXAWTXORLJW-IBGZPJMESA-N 1 0 348.450 4.092 20 30 EIEDRO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000472247372 1026998285 /nfs/dbraw/zinc/99/82/85/1026998285.db2.gz QEXCLGFDTZXLQG-INIZCTEOSA-N 1 0 333.907 4.349 20 30 EIEDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245768 1026998944 /nfs/dbraw/zinc/99/89/44/1026998944.db2.gz ZYJTYMIJLFAQIX-MBOZVWFJSA-N 1 0 349.478 4.391 20 30 EIEDRO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](CC)c1ccccc1 ZINC000519907018 1027040144 /nfs/dbraw/zinc/04/01/44/1027040144.db2.gz GBCPCYYIUDHFQR-IBGZPJMESA-N 1 0 341.499 4.192 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)c(Cl)c1 ZINC000384318021 1027170559 /nfs/dbraw/zinc/17/05/59/1027170559.db2.gz YRUIIKYWXQCMLR-UHFFFAOYSA-N 1 0 340.854 4.393 20 30 EIEDRO C[C@@H]1CC(NCc2cc(C#N)cs2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168039301 1027314141 /nfs/dbraw/zinc/31/41/41/1027314141.db2.gz CURXZBNPGLHZKU-HZPDHXFCSA-N 1 0 339.508 4.151 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000441198408 1027341314 /nfs/dbraw/zinc/34/13/14/1027341314.db2.gz OWJLSZDHLKKCMY-UHFFFAOYSA-N 1 0 333.435 4.183 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(OC)c(OCCCC)c2)CCOCC1 ZINC000657632833 1027345440 /nfs/dbraw/zinc/34/54/40/1027345440.db2.gz NRPJZKKHBAVHLE-UHFFFAOYSA-N 1 0 333.472 4.089 20 30 EIEDRO C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441243456 1027390952 /nfs/dbraw/zinc/39/09/52/1027390952.db2.gz JAYLCONTVDCQPK-HZPDHXFCSA-N 1 0 342.870 4.026 20 30 EIEDRO Clc1ccccc1C#CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000441268438 1027410318 /nfs/dbraw/zinc/41/03/18/1027410318.db2.gz QKYLUJKNNMFOQY-UHFFFAOYSA-N 1 0 349.865 4.447 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1 ZINC000302984538 1027446814 /nfs/dbraw/zinc/44/68/14/1027446814.db2.gz KEHGETDPSRCLEZ-UHFFFAOYSA-N 1 0 348.446 4.071 20 30 EIEDRO C=CCSCC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000237675714 1027454915 /nfs/dbraw/zinc/45/49/15/1027454915.db2.gz JVPCNTFKRLRPFT-UHFFFAOYSA-N 1 0 349.931 4.210 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2coc3ccccc23)cc(OC)c1OC ZINC000121307619 1027468611 /nfs/dbraw/zinc/46/86/11/1027468611.db2.gz YGJWXYBWMZTTQQ-UHFFFAOYSA-N 1 0 337.419 4.468 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000121387091 1027577266 /nfs/dbraw/zinc/57/72/66/1027577266.db2.gz MYBNKKNDYNKYEW-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO CC[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000329249040 1027671966 /nfs/dbraw/zinc/67/19/66/1027671966.db2.gz SUOSQYARNYBMGN-SJORKVTESA-N 1 0 346.471 4.130 20 30 EIEDRO C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1nc(C2CCCCC2)no1 ZINC000329308352 1027714643 /nfs/dbraw/zinc/71/46/43/1027714643.db2.gz ZRTYLHBXOBNRNE-HOCLYGCPSA-N 1 0 348.491 4.399 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000280800576 1027738325 /nfs/dbraw/zinc/73/83/25/1027738325.db2.gz KPGKZSXVWKAYJA-GDLVEWKHSA-N 1 0 329.271 4.207 20 30 EIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000282011687 1027760606 /nfs/dbraw/zinc/76/06/06/1027760606.db2.gz ONXZAHFOQRBYIX-RTBURBONSA-N 1 0 326.484 4.273 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000582957001 1027767654 /nfs/dbraw/zinc/76/76/54/1027767654.db2.gz KZMJJVFKTHRJIJ-QFIPXVFZSA-N 1 0 333.479 4.177 20 30 EIEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000305082586 1027769611 /nfs/dbraw/zinc/76/96/11/1027769611.db2.gz XRUQKIPZDSALKI-APWZRJJASA-N 1 0 339.483 4.091 20 30 EIEDRO NC(=O)[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000328721808 1027792140 /nfs/dbraw/zinc/79/21/40/1027792140.db2.gz RMCLNBQJVQVHNH-SJORKVTESA-N 1 0 349.519 4.331 20 30 EIEDRO CC(C)n1ncc2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc21 ZINC000329463180 1027798275 /nfs/dbraw/zinc/79/82/75/1027798275.db2.gz UFWUVQRRTUDCIP-KRWDZBQOSA-N 1 0 328.460 4.470 20 30 EIEDRO CCN(CC)C(=[NH2+])NCC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000305747406 1027807008 /nfs/dbraw/zinc/80/70/08/1027807008.db2.gz SAZREVORVBOBEB-UHFFFAOYSA-N 1 0 328.287 4.072 20 30 EIEDRO CCn1cc(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(C)c3)CC2)cn1 ZINC000329498755 1027817316 /nfs/dbraw/zinc/81/73/16/1027817316.db2.gz JTKUVAXRXYCBEC-MRXNPFEDSA-N 1 0 340.471 4.068 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1snc(Cl)c1C#N)c1ccsc1 ZINC000052045234 1027825562 /nfs/dbraw/zinc/82/55/62/1027825562.db2.gz BFUYCMJLWWBDHD-GFCCVEGCSA-N 1 0 340.905 4.225 20 30 EIEDRO Cc1cc(C)nc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000329622146 1027889389 /nfs/dbraw/zinc/88/93/89/1027889389.db2.gz NGYUUAHWIXDCAR-UHFFFAOYSA-N 1 0 344.503 4.067 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc2ccccc2n1C(F)F ZINC000444663787 1027946623 /nfs/dbraw/zinc/94/66/23/1027946623.db2.gz LHQQZRUGVFBNDX-ZDUSSCGKSA-N 1 0 340.377 4.348 20 30 EIEDRO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCC[C@H]1C ZINC000444668373 1027950658 /nfs/dbraw/zinc/95/06/58/1027950658.db2.gz CDSZCWMINDDFHB-CXAGYDPISA-N 1 0 333.863 4.051 20 30 EIEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668368 1027953486 /nfs/dbraw/zinc/95/34/86/1027953486.db2.gz USMDUWAZKDZHON-GDBMZVCRSA-N 1 0 333.501 4.076 20 30 EIEDRO CC[C@@]1(CO)CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444673257 1027957015 /nfs/dbraw/zinc/95/70/15/1027957015.db2.gz HMEHAAFLMUAYMH-QFIPXVFZSA-N 1 0 348.490 4.123 20 30 EIEDRO C[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCOC1 ZINC000444671605 1027958204 /nfs/dbraw/zinc/95/82/04/1027958204.db2.gz CQUZRLLMYSGJOO-VQTJNVASSA-N 1 0 348.490 4.291 20 30 EIEDRO CC(C)[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000444753681 1028039334 /nfs/dbraw/zinc/03/93/34/1028039334.db2.gz PPTQWPFOYMTYTF-KRWDZBQOSA-N 1 0 337.467 4.106 20 30 EIEDRO CSc1nc(C[N@@H+]2CC[C@H](c3ccccc3Cl)C2)ccc1C#N ZINC001141941817 1028086030 /nfs/dbraw/zinc/08/60/30/1028086030.db2.gz ZIGAHAWMZMYLOZ-AWEZNQCLSA-N 1 0 343.883 4.318 20 30 EIEDRO C[C@@H](C(=O)Nc1csc(-c2ccccn2)n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000329764325 1028117807 /nfs/dbraw/zinc/11/78/07/1028117807.db2.gz VOWAOTDDXGTUKB-UPJWGTAASA-N 1 0 330.457 4.054 20 30 EIEDRO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000329933514 1028160105 /nfs/dbraw/zinc/16/01/05/1028160105.db2.gz BMORQVSILMNARJ-UHFFFAOYSA-N 1 0 332.492 4.061 20 30 EIEDRO CCc1ccc2c(c1)[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)C(=O)N2 ZINC000329945734 1028161185 /nfs/dbraw/zinc/16/11/85/1028161185.db2.gz FZVVFNGHLQJNFQ-INIZCTEOSA-N 1 0 343.471 4.013 20 30 EIEDRO C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1nc(C2CCCCC2)no1 ZINC000329955575 1028167339 /nfs/dbraw/zinc/16/73/39/1028167339.db2.gz OLTCKZUMQBQTQW-MJBXVCDLSA-N 1 0 334.464 4.008 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(F)cc3Cl)CCCC2)n1 ZINC000583173776 1028178203 /nfs/dbraw/zinc/17/82/03/1028178203.db2.gz LFTRQCPKAQGFPJ-UHFFFAOYSA-N 1 0 349.862 4.409 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1nc2ccccc2nc1C ZINC000047726396 1028181755 /nfs/dbraw/zinc/18/17/55/1028181755.db2.gz AWCDJBLNCYNPQM-UHFFFAOYSA-N 1 0 330.435 4.222 20 30 EIEDRO N#CC1(CCC[NH2+]C(c2ccccc2)c2ccccc2)CCOCC1 ZINC000280882016 1028257127 /nfs/dbraw/zinc/25/71/27/1028257127.db2.gz AISRVQUJGNQGMD-UHFFFAOYSA-N 1 0 334.463 4.466 20 30 EIEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000330291652 1028269963 /nfs/dbraw/zinc/26/99/63/1028269963.db2.gz GQZCXYIMRYQDAD-QGZVFWFLSA-N 1 0 340.471 4.342 20 30 EIEDRO COc1ccc2nc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)sc2c1 ZINC000330296268 1028282799 /nfs/dbraw/zinc/28/27/99/1028282799.db2.gz KAWNYTXYHAKJFN-GFCCVEGCSA-N 1 0 333.457 4.157 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)cc1 ZINC000124673781 1028285911 /nfs/dbraw/zinc/28/59/11/1028285911.db2.gz QFVZYVATLKZOIH-UHFFFAOYSA-N 1 0 325.431 4.200 20 30 EIEDRO CCC(CC)[N@H+](CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000583286542 1028424736 /nfs/dbraw/zinc/42/47/36/1028424736.db2.gz UPLHTFTWHMJGCU-OAHLLOKOSA-N 1 0 347.528 4.387 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000523927535 1028470484 /nfs/dbraw/zinc/47/04/84/1028470484.db2.gz DRFDSFNBTCMRHG-SFHVURJKSA-N 1 0 347.503 4.129 20 30 EIEDRO N#CC1(CCC[NH2+]C2(Cc3ccccc3)CCCC2)CCOCC1 ZINC000281263691 1028477083 /nfs/dbraw/zinc/47/70/83/1028477083.db2.gz HPFQUVMEAHSQDS-UHFFFAOYSA-N 1 0 326.484 4.232 20 30 EIEDRO CCc1nn(C)cc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611764646 1028492789 /nfs/dbraw/zinc/49/27/89/1028492789.db2.gz SEIJKBUKWBDDFP-MRXNPFEDSA-N 1 0 344.462 4.372 20 30 EIEDRO N#CC1(CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)CCOCC1 ZINC000281294691 1028511476 /nfs/dbraw/zinc/51/14/76/1028511476.db2.gz JMMVLMGAAHEBQM-WOJBJXKFSA-N 1 0 326.484 4.088 20 30 EIEDRO C=CCC(CC=C)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000150918750 1028533845 /nfs/dbraw/zinc/53/38/45/1028533845.db2.gz UGQWTKNHMQQFDE-ROUUACIJSA-N 1 0 340.511 4.028 20 30 EIEDRO C=CCC(CC=C)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000150918789 1028535906 /nfs/dbraw/zinc/53/59/06/1028535906.db2.gz UGQWTKNHMQQFDE-QZTJIDSGSA-N 1 0 340.511 4.028 20 30 EIEDRO COc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc(OC)c1 ZINC000330345005 1028607217 /nfs/dbraw/zinc/60/72/17/1028607217.db2.gz DPOZQWSGFGZEGX-SFHVURJKSA-N 1 0 332.444 4.089 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000281442421 1028619021 /nfs/dbraw/zinc/61/90/21/1028619021.db2.gz SHACFBOBFWTFSX-GOSISDBHSA-N 1 0 326.440 4.114 20 30 EIEDRO Cc1c([C@H](C)[NH2+]CCCC#N)cnn1-c1ccc(Cl)cc1Cl ZINC000346806044 1028665376 /nfs/dbraw/zinc/66/53/76/1028665376.db2.gz AJSDXZALEJDLME-NSHDSACASA-N 1 0 337.254 4.442 20 30 EIEDRO C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000281513283 1028669758 /nfs/dbraw/zinc/66/97/58/1028669758.db2.gz XMUQCJYBAPFEPO-HOJAQTOUSA-N 1 0 343.515 4.036 20 30 EIEDRO COc1cc(CNc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1C#N ZINC000440806123 1028735781 /nfs/dbraw/zinc/73/57/81/1028735781.db2.gz HGOAMFNDCWNNHC-QGZVFWFLSA-N 1 0 349.478 4.411 20 30 EIEDRO COc1cc(C[NH2+]CC2(c3ccc(Cl)cc3)CC2)ccc1C#N ZINC000440806306 1028735827 /nfs/dbraw/zinc/73/58/27/1028735827.db2.gz KXFJETBXWIITNZ-UHFFFAOYSA-N 1 0 326.827 4.042 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)CC2 ZINC000569630235 1028788774 /nfs/dbraw/zinc/78/87/74/1028788774.db2.gz WPRUFOTVANJWBH-INIZCTEOSA-N 1 0 332.325 4.234 20 30 EIEDRO COc1cc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)ccc1C#N ZINC000440818453 1028803565 /nfs/dbraw/zinc/80/35/65/1028803565.db2.gz AAGWOWWMATYULL-UHFFFAOYSA-N 1 0 346.352 4.365 20 30 EIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc2c(c1)CCCC2 ZINC000281888583 1028930280 /nfs/dbraw/zinc/93/02/80/1028930280.db2.gz DPHJFBQUIIUSLN-QGZVFWFLSA-N 1 0 326.484 4.317 20 30 EIEDRO N#CC1(CCC[NH+]2CCC(OCC3CCCCC3)CC2)CCOCC1 ZINC000524459282 1028969233 /nfs/dbraw/zinc/96/92/33/1028969233.db2.gz PBJSWJBOEFMGAF-UHFFFAOYSA-N 1 0 348.531 4.148 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000281972540 1029029758 /nfs/dbraw/zinc/02/97/58/1029029758.db2.gz OBZLJXWJFWXXSF-UHFFFAOYSA-N 1 0 329.488 4.144 20 30 EIEDRO C=CC(C)(C)C[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926519940 1029030681 /nfs/dbraw/zinc/03/06/81/1029030681.db2.gz IKDDCNBSQJNGMR-INIZCTEOSA-N 1 0 349.519 4.108 20 30 EIEDRO Cc1ccc(C(C)(C)C[N@H+](C)CCC(=O)Nc2ccccc2C#N)cc1 ZINC000444170601 1029037872 /nfs/dbraw/zinc/03/78/72/1029037872.db2.gz SRRXSVGAAITQDC-UHFFFAOYSA-N 1 0 349.478 4.105 20 30 EIEDRO C[NH+](C)[C@@H](CNc1ccc(Br)cc1C#N)c1ccccc1 ZINC000522900743 1029077646 /nfs/dbraw/zinc/07/76/46/1029077646.db2.gz ZDWZPIZQIMPFSK-KRWDZBQOSA-N 1 0 344.256 4.036 20 30 EIEDRO CCC(CC)C[N@H+](CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000444224700 1029092634 /nfs/dbraw/zinc/09/26/34/1029092634.db2.gz KWDFOPYVAVREAL-UHFFFAOYSA-N 1 0 335.879 4.320 20 30 EIEDRO Cc1ccc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000444228976 1029100919 /nfs/dbraw/zinc/10/09/19/1029100919.db2.gz VEPYVDAOXMQJNE-OAQYLSRUSA-N 1 0 347.462 4.423 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000524668547 1029157108 /nfs/dbraw/zinc/15/71/08/1029157108.db2.gz LKPXASADGDGKHC-UHFFFAOYSA-N 1 0 329.488 4.146 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2cc3ccccc3[nH]2)c(C(F)(F)F)c1 ZINC000583781946 1029170887 /nfs/dbraw/zinc/17/08/87/1029170887.db2.gz KSLCYKABJHIKER-UHFFFAOYSA-N 1 0 343.352 4.391 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000246964534 1029213042 /nfs/dbraw/zinc/21/30/42/1029213042.db2.gz IZWADGLHYZDIMZ-RCCFBDPRSA-N 1 0 343.515 4.194 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000052662218 1029331243 /nfs/dbraw/zinc/33/12/43/1029331243.db2.gz NTSLVOUBBFKAME-JOCHJYFZSA-N 1 0 328.415 4.446 20 30 EIEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000247640981 1029382503 /nfs/dbraw/zinc/38/25/03/1029382503.db2.gz VQFSTVZXIGDVMJ-MSOLQXFVSA-N 1 0 341.499 4.124 20 30 EIEDRO N#Cc1ccc(OC2CCN(c3cc[nH+]c4ccccc43)CC2)c(F)c1 ZINC000343506691 1029394382 /nfs/dbraw/zinc/39/43/82/1029394382.db2.gz MHTDLNFEEWYBCD-UHFFFAOYSA-N 1 0 347.393 4.293 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000926540361 1029412438 /nfs/dbraw/zinc/41/24/38/1029412438.db2.gz IHLAEZAQFHSONC-HOTGVXAUSA-N 1 0 337.508 4.084 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3(C(F)F)CC3)c2)c1 ZINC000475209991 1029442819 /nfs/dbraw/zinc/44/28/19/1029442819.db2.gz FXOJAJJHSAOUSF-UHFFFAOYSA-N 1 0 342.389 4.272 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)C)c1C ZINC000525274443 1029562228 /nfs/dbraw/zinc/56/22/28/1029562228.db2.gz KRSGQLFLDDCSOZ-LJQANCHMSA-N 1 0 341.499 4.061 20 30 EIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](C3CC3)C1)CCC2 ZINC000329649152 1029584370 /nfs/dbraw/zinc/58/43/70/1029584370.db2.gz KDDOWTWJYPDSSI-CQSZACIVSA-N 1 0 343.496 4.209 20 30 EIEDRO C=C(C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1)c1ccccc1 ZINC000446826118 1029592240 /nfs/dbraw/zinc/59/22/40/1029592240.db2.gz HLBXBKDLONYYIK-OAQYLSRUSA-N 1 0 332.451 4.021 20 30 EIEDRO C=CCCC1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CC1 ZINC000475383781 1029600719 /nfs/dbraw/zinc/60/07/19/1029600719.db2.gz OHKXYJFKVWOEGR-UHFFFAOYSA-N 1 0 344.524 4.229 20 30 EIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193343097 1029611319 /nfs/dbraw/zinc/61/13/19/1029611319.db2.gz NBJVWDJRUFMXPE-SGMGOOAPSA-N 1 0 337.261 4.191 20 30 EIEDRO CC1CCN([C@@H](C[NH2+]CC(C)(C)CCC#N)c2ccccc2)CC1 ZINC000343631890 1029620613 /nfs/dbraw/zinc/62/06/13/1029620613.db2.gz BQTRGOOZZKNVMC-FQEVSTJZSA-N 1 0 327.516 4.379 20 30 EIEDRO C[C@@H]1CC([N@@H+]2CCC[C@H](C#N)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168063950 1029621738 /nfs/dbraw/zinc/62/17/38/1029621738.db2.gz OPYIDOYNYBYBID-QRVBRYPASA-N 1 0 325.500 4.054 20 30 EIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000129746730 1029645296 /nfs/dbraw/zinc/64/52/96/1029645296.db2.gz NNERYMQZMGLDMQ-UWVAXJGDSA-N 1 0 347.462 4.011 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000584235083 1029688994 /nfs/dbraw/zinc/68/89/94/1029688994.db2.gz GMNFRPGJDKGRSU-GOSISDBHSA-N 1 0 327.359 4.092 20 30 EIEDRO CCC(CC)(CC)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278685363 1029689055 /nfs/dbraw/zinc/68/90/55/1029689055.db2.gz PISNEBDAZQORGF-UHFFFAOYSA-N 1 0 339.487 4.165 20 30 EIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1cccc(C#N)c1 ZINC000467455096 1029697872 /nfs/dbraw/zinc/69/78/72/1029697872.db2.gz RCKUEGUTVIFOCX-AWEZNQCLSA-N 1 0 332.369 4.340 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc(C#N)s4)C3)nc2c1 ZINC000584299259 1029726365 /nfs/dbraw/zinc/72/63/65/1029726365.db2.gz DRIMHUGIIWYTLI-CQSZACIVSA-N 1 0 336.464 4.184 20 30 EIEDRO C[NH+](C)[C@H](CNc1cc(C#N)ccc1C(F)(F)F)c1ccsc1 ZINC000475450809 1029780018 /nfs/dbraw/zinc/78/00/18/1029780018.db2.gz DGNTZZRXFUSRSS-OAHLLOKOSA-N 1 0 339.386 4.353 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000182183109 1029952081 /nfs/dbraw/zinc/95/20/81/1029952081.db2.gz AKGNINCGXAAFPH-OAHLLOKOSA-N 1 0 334.891 4.279 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccc(C#N)cc1 ZINC000447528132 1030125047 /nfs/dbraw/zinc/12/50/47/1030125047.db2.gz HADZTRZGACHUOK-OAQYLSRUSA-N 1 0 330.435 4.044 20 30 EIEDRO CC[C@@H]([NH2+]CCCc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000447531726 1030132192 /nfs/dbraw/zinc/13/21/92/1030132192.db2.gz QQFIXARBNJJCPN-LJQANCHMSA-N 1 0 338.451 4.249 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447562123 1030172110 /nfs/dbraw/zinc/17/21/10/1030172110.db2.gz KRTHMAVTPMUBMG-WTOYTKOKSA-N 1 0 333.479 4.434 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC000447564199 1030175128 /nfs/dbraw/zinc/17/51/28/1030175128.db2.gz VURFAJMHXFJVBB-BEFAXECRSA-N 1 0 339.508 4.107 20 30 EIEDRO N#Cc1ccc(CCNc2cc(OCc3ccccc3)cc[nH+]2)cc1 ZINC001167677330 1030178739 /nfs/dbraw/zinc/17/87/39/1030178739.db2.gz XKCJCUSGPXTKIE-UHFFFAOYSA-N 1 0 329.403 4.187 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](C)COc1ccccc1OC)c1ccc(C#N)cc1 ZINC000447585498 1030186040 /nfs/dbraw/zinc/18/60/40/1030186040.db2.gz JKKCVKLQKFTZJQ-LPHOPBHVSA-N 1 0 338.451 4.323 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447586122 1030188370 /nfs/dbraw/zinc/18/83/70/1030188370.db2.gz LPYKTNXYIFOJDA-YHYVQYDKSA-N 1 0 333.479 4.262 20 30 EIEDRO CC[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(C#N)cc1 ZINC000447591102 1030197065 /nfs/dbraw/zinc/19/70/65/1030197065.db2.gz GZHMONFDJKXSRZ-MRXNPFEDSA-N 1 0 338.842 4.339 20 30 EIEDRO CC[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(C#N)cc1 ZINC000447597847 1030198852 /nfs/dbraw/zinc/19/88/52/1030198852.db2.gz TYJWTTAZGRUPKM-SFHVURJKSA-N 1 0 326.827 4.387 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cccc(C#N)c4)C3)nc2c1 ZINC000179187220 1030325764 /nfs/dbraw/zinc/32/57/64/1030325764.db2.gz QLWVKICJEZOAHH-GOSISDBHSA-N 1 0 330.435 4.123 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000526942317 1030357842 /nfs/dbraw/zinc/35/78/42/1030357842.db2.gz JCSVHEBTFJEMMI-WBVHZDCISA-N 1 0 328.456 4.063 20 30 EIEDRO N#Cc1cccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000022803524 1030376440 /nfs/dbraw/zinc/37/64/40/1030376440.db2.gz JNNLKUOFRBNWHH-UHFFFAOYSA-N 1 0 341.458 4.029 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451299901 1030385584 /nfs/dbraw/zinc/38/55/84/1030385584.db2.gz UCSRSEVDGLGICA-ZFWWWQNUSA-N 1 0 326.362 4.168 20 30 EIEDRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000127517504 1030385832 /nfs/dbraw/zinc/38/58/32/1030385832.db2.gz PQESQQWBNMELEY-HOTGVXAUSA-N 1 0 335.451 4.359 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451333023 1030412414 /nfs/dbraw/zinc/41/24/14/1030412414.db2.gz AKDLZRXFGZKJBD-MISYRCLQSA-N 1 0 326.484 4.003 20 30 EIEDRO N#Cc1cc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)ccc1F ZINC000611938748 1030415248 /nfs/dbraw/zinc/41/52/48/1030415248.db2.gz VCUXKKODEVOIRJ-NRFANRHFSA-N 1 0 337.442 4.014 20 30 EIEDRO C=CCCC[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000448032880 1030530176 /nfs/dbraw/zinc/53/01/76/1030530176.db2.gz XMXQEXKSULIAMV-INIZCTEOSA-N 1 0 326.278 4.473 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OCC(C)C ZINC000610344693 1030532274 /nfs/dbraw/zinc/53/22/74/1030532274.db2.gz GBCKLPDIPBPGAS-INIZCTEOSA-N 1 0 338.451 4.452 20 30 EIEDRO CCOc1ccccc1[C@@H](CC)[NH2+]CCCC1(C#N)CCOCC1 ZINC000282031520 1030549266 /nfs/dbraw/zinc/54/92/66/1030549266.db2.gz QCRGSVBJLKTFCH-GOSISDBHSA-N 1 0 330.472 4.227 20 30 EIEDRO CO[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000451563156 1030579627 /nfs/dbraw/zinc/57/96/27/1030579627.db2.gz JSPZVXHFBZLSGV-SIKLNZKXSA-N 1 0 348.490 4.243 20 30 EIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCCC1(C#N)CCOCC1 ZINC000530616786 1030587701 /nfs/dbraw/zinc/58/77/01/1030587701.db2.gz VZBDHESBNPHGRS-KRWDZBQOSA-N 1 0 330.472 4.225 20 30 EIEDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190961075 1030590294 /nfs/dbraw/zinc/59/02/94/1030590294.db2.gz VDHRCZCWBKYVAQ-UTKZUKDTSA-N 1 0 335.451 4.347 20 30 EIEDRO Fc1cc(F)c(F)c(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1F ZINC000782531098 1030608674 /nfs/dbraw/zinc/60/86/74/1030608674.db2.gz NWYHUVWRBSAMMF-YUMQZZPRSA-N 1 0 329.259 4.454 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000191445723 1030625836 /nfs/dbraw/zinc/62/58/36/1030625836.db2.gz LIWNCSXCOIDIQB-AEFFLSMTSA-N 1 0 343.515 4.485 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc(OC)c1O ZINC000191656451 1030632494 /nfs/dbraw/zinc/63/24/94/1030632494.db2.gz LIQUURIBVXJDRY-SFHVURJKSA-N 1 0 339.435 4.002 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000191514096 1030637318 /nfs/dbraw/zinc/63/73/18/1030637318.db2.gz LMKJXAAJBXKIIT-UHFFFAOYSA-N 1 0 329.488 4.096 20 30 EIEDRO C[N@H+](Cc1csc(Br)c1)Cc1ccc(CC#N)cc1 ZINC000399130530 1030748413 /nfs/dbraw/zinc/74/84/13/1030748413.db2.gz WTVDVHDGCSGSMD-UHFFFAOYSA-N 1 0 335.270 4.209 20 30 EIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2OC)cc1 ZINC000448379542 1030765310 /nfs/dbraw/zinc/76/53/10/1030765310.db2.gz YXNGGVSBSXHIFF-HXUWFJFHSA-N 1 0 336.435 4.303 20 30 EIEDRO N#Cc1cccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000530865502 1030768362 /nfs/dbraw/zinc/76/83/62/1030768362.db2.gz ZAGZNOALWWBMCB-HSZRJFAPSA-N 1 0 345.490 4.046 20 30 EIEDRO Cc1nc(-c2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)cs1 ZINC000530879648 1030781098 /nfs/dbraw/zinc/78/10/98/1030781098.db2.gz VHBGPJPTSXVJNL-UHFFFAOYSA-N 1 0 325.462 4.342 20 30 EIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168180305 1030808674 /nfs/dbraw/zinc/80/86/74/1030808674.db2.gz QIZUTNMVSBHBHY-LSTHTHJFSA-N 1 0 349.902 4.097 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F)c1ccc(C#N)cc1 ZINC000127605224 1030836883 /nfs/dbraw/zinc/83/68/83/1030836883.db2.gz WTKSXLRCSCJERV-NEPJUHHUSA-N 1 0 345.805 4.029 20 30 EIEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000612065132 1030844742 /nfs/dbraw/zinc/84/47/42/1030844742.db2.gz HKDISAWOLXLFLT-FGZHOGPDSA-N 1 0 334.463 4.352 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000527771815 1030852547 /nfs/dbraw/zinc/85/25/47/1030852547.db2.gz KBSIHUVJTWSVRA-NRFANRHFSA-N 1 0 335.451 4.395 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(F)c(Br)cc1F ZINC000527899665 1030907679 /nfs/dbraw/zinc/90/76/79/1030907679.db2.gz AJFXRVIHHCLLEQ-VWYCJHECSA-N 1 0 343.215 4.460 20 30 EIEDRO N#CCc1ccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000612120860 1030937349 /nfs/dbraw/zinc/93/73/49/1030937349.db2.gz YUUYEIZBFWJJID-QFIPXVFZSA-N 1 0 333.479 4.069 20 30 EIEDRO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)C#N ZINC000310043388 1030991598 /nfs/dbraw/zinc/99/15/98/1030991598.db2.gz GAKITVGDYHXVHE-CVEARBPZSA-N 1 0 337.508 4.084 20 30 EIEDRO Cn1cc2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cc2n1 ZINC000527961519 1031000726 /nfs/dbraw/zinc/00/07/26/1031000726.db2.gz IWANFKDXEPBTKS-FQEVSTJZSA-N 1 0 330.435 4.002 20 30 EIEDRO C[C@]1(C#N)CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000612163652 1031078745 /nfs/dbraw/zinc/07/87/45/1031078745.db2.gz VQZFJSXAQJXCCI-OMUXJLDVSA-N 1 0 333.273 4.478 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000532505651 1031228840 /nfs/dbraw/zinc/22/88/40/1031228840.db2.gz OPQIJMOIWQOMQJ-GOEBONIOSA-N 1 0 343.471 4.387 20 30 EIEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cnc3ccc(C#N)cn13)CCC2 ZINC000136245037 1031245560 /nfs/dbraw/zinc/24/55/60/1031245560.db2.gz OVFVYTYWUNQLIQ-OAQYLSRUSA-N 1 0 344.462 4.497 20 30 EIEDRO C=CCc1cc(C[NH2+]C2(c3ccc(F)cc3)CC2)cc(OC)c1O ZINC000531444626 1031259128 /nfs/dbraw/zinc/25/91/28/1031259128.db2.gz IYYVAKFHEAVGNQ-UHFFFAOYSA-N 1 0 327.399 4.047 20 30 EIEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C3CCC(C)CC3)cc(C#N)c21 ZINC001168203381 1031268270 /nfs/dbraw/zinc/26/82/70/1031268270.db2.gz NDJDINPGUGRZNE-CHWWFWEZSA-N 1 0 337.467 4.272 20 30 EIEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000532567074 1031300731 /nfs/dbraw/zinc/30/07/31/1031300731.db2.gz FOXJZKZNPWUWPT-TZIWHRDSSA-N 1 0 338.426 4.263 20 30 EIEDRO Cn1cc(C[NH2+]Cc2ccc(C3CC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000191682138 1031333022 /nfs/dbraw/zinc/33/30/22/1031333022.db2.gz QXAYRHWRDRFCLY-UHFFFAOYSA-N 1 0 342.446 4.126 20 30 EIEDRO C[C@@H](CN1CCO[C@@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039437 1031375303 /nfs/dbraw/zinc/37/53/03/1031375303.db2.gz CEHAVMZCZDDQLD-VBKZILBWSA-N 1 0 342.389 4.013 20 30 EIEDRO C[C@H](CN1CCO[C@@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039436 1031376982 /nfs/dbraw/zinc/37/69/82/1031376982.db2.gz CEHAVMZCZDDQLD-JLTOFOAXSA-N 1 0 342.389 4.013 20 30 EIEDRO N#CCCCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449132486 1031466774 /nfs/dbraw/zinc/46/67/74/1031466774.db2.gz UPPFHVDCYVJYNN-UHFFFAOYSA-N 1 0 325.225 4.118 20 30 EIEDRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000531702439 1031485814 /nfs/dbraw/zinc/48/58/14/1031485814.db2.gz VJIRQTXOPCSDGZ-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)C2 ZINC000612419688 1031500165 /nfs/dbraw/zinc/50/01/65/1031500165.db2.gz HLUGKBYNWOIZEQ-SIKLNZKXSA-N 1 0 332.447 4.091 20 30 EIEDRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531715195 1031502473 /nfs/dbraw/zinc/50/24/73/1031502473.db2.gz XQQJWBOOMPDDHQ-GDBMZVCRSA-N 1 0 343.471 4.387 20 30 EIEDRO Cc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)c(OC[C@H]2CCCO2)c1 ZINC000449197767 1031543033 /nfs/dbraw/zinc/54/30/33/1031543033.db2.gz XNKXQTDBEWLVEE-OBXNSHGQSA-N 1 0 342.483 4.115 20 30 EIEDRO CC[N@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179888543 1031553531 /nfs/dbraw/zinc/55/35/31/1031553531.db2.gz RQKMNKZYOYNOTK-UHFFFAOYSA-N 1 0 336.464 4.042 20 30 EIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449225693 1031558879 /nfs/dbraw/zinc/55/88/79/1031558879.db2.gz LBPLFOMFTCNJHC-OLQXHTCTSA-N 1 0 342.409 4.185 20 30 EIEDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449249687 1031564113 /nfs/dbraw/zinc/56/41/13/1031564113.db2.gz MQGMTNXPYGHYSF-KBWCOIMZSA-N 1 0 327.516 4.205 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179897806 1031571741 /nfs/dbraw/zinc/57/17/41/1031571741.db2.gz SAMGOYCVDKIBSL-OAQYLSRUSA-N 1 0 342.446 4.296 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449298130 1031605068 /nfs/dbraw/zinc/60/50/68/1031605068.db2.gz FZXIPUYQQQMMIC-GUYCJALGSA-N 1 0 332.444 4.020 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000449310343 1031610370 /nfs/dbraw/zinc/61/03/70/1031610370.db2.gz GSVBWQNNERRZTH-CGZBRXJRSA-N 1 0 348.288 4.357 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000449289113 1031618221 /nfs/dbraw/zinc/61/82/21/1031618221.db2.gz QNBGMOIVTGMMSJ-UHFFFAOYSA-N 1 0 341.333 4.176 20 30 EIEDRO C=CCN(CCc1ccccc1)Cc1nccn1Cc1ccccc1 ZINC000065959528 1031621614 /nfs/dbraw/zinc/62/16/14/1031621614.db2.gz NBQREOWIADRRAV-UHFFFAOYSA-N 1 0 331.463 4.162 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000449322566 1031634906 /nfs/dbraw/zinc/63/49/06/1031634906.db2.gz XVCKCFUJTGDDJZ-LSDHHAIUSA-N 1 0 334.426 4.044 20 30 EIEDRO CCOC(=O)c1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)[nH]c1C ZINC000449340913 1031638079 /nfs/dbraw/zinc/63/80/79/1031638079.db2.gz RDAHJDUHJBWLLB-IBGZPJMESA-N 1 0 339.439 4.025 20 30 EIEDRO CSc1ccc([C@@H](C[NH2+]C2CCC(C)(C#N)CC2)N(C)C)cc1 ZINC000449342286 1031638983 /nfs/dbraw/zinc/63/89/83/1031638983.db2.gz AKSRVRBGHSMCGA-CUYAVPTFSA-N 1 0 331.529 4.073 20 30 EIEDRO C=CCC(CC=C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531823001 1031661324 /nfs/dbraw/zinc/66/13/24/1031661324.db2.gz YPELXMXIXHXIGU-IBGZPJMESA-N 1 0 346.902 4.362 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc(C3CC3)ccc2F)cc(OC)c1O ZINC000449374403 1031671498 /nfs/dbraw/zinc/67/14/98/1031671498.db2.gz ZBALWCCDZXVRFS-UHFFFAOYSA-N 1 0 341.426 4.436 20 30 EIEDRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cccc(C#N)c1 ZINC000531848491 1031704523 /nfs/dbraw/zinc/70/45/23/1031704523.db2.gz MDZVQEMDRPRQGU-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446627 1031741233 /nfs/dbraw/zinc/74/12/33/1031741233.db2.gz SITMUOUTDZZSOO-XUJVJEKNSA-N 1 0 339.252 4.191 20 30 EIEDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)CO2 ZINC000453232141 1031749817 /nfs/dbraw/zinc/74/98/17/1031749817.db2.gz GYWCOFUTVYTIBR-QUCCMNQESA-N 1 0 336.435 4.023 20 30 EIEDRO Cc1cc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000449438289 1031758821 /nfs/dbraw/zinc/75/88/21/1031758821.db2.gz PKEGSXYADFSYTK-GOSISDBHSA-N 1 0 348.368 4.099 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1Cl ZINC000449471009 1031767097 /nfs/dbraw/zinc/76/70/97/1031767097.db2.gz BYDVTAGHIVDJMV-INIZCTEOSA-N 1 0 335.875 4.344 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000453285659 1031806267 /nfs/dbraw/zinc/80/62/67/1031806267.db2.gz CITNQQMEXCSORB-AXHNFQJDSA-N 1 0 327.378 4.121 20 30 EIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000129711382 1031811188 /nfs/dbraw/zinc/81/11/88/1031811188.db2.gz GXXFBBLWBKJZKH-XZFTYKLISA-N 1 0 332.447 4.120 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c(-c2ccccc2)n1 ZINC000449532829 1031829030 /nfs/dbraw/zinc/82/90/30/1031829030.db2.gz DRISPLFWXWTGFP-IRLDBZIGSA-N 1 0 346.478 4.084 20 30 EIEDRO Cc1cccc(Cl)c1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528782948 1031851659 /nfs/dbraw/zinc/85/16/59/1031851659.db2.gz LADCZNSGFZSFJO-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000453335387 1031859279 /nfs/dbraw/zinc/85/92/79/1031859279.db2.gz ACWHKTATWMKRHQ-HUUCEWRRSA-N 1 0 333.419 4.026 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](CC3CCC(F)(F)CC3)CC2)cc1 ZINC000459341683 1031859657 /nfs/dbraw/zinc/85/96/57/1031859657.db2.gz QLRASDYTUJAJLE-UHFFFAOYSA-N 1 0 334.410 4.227 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C2(C)CC2)ccc1Cl ZINC000347373597 1031863174 /nfs/dbraw/zinc/86/31/74/1031863174.db2.gz LZLUSNLUEBLPMF-OAHLLOKOSA-N 1 0 347.890 4.016 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000453340757 1031866260 /nfs/dbraw/zinc/86/62/60/1031866260.db2.gz CJUGLBNFLKILFZ-XKQJLSEDSA-N 1 0 328.481 4.036 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)cc1F ZINC000453384585 1031895362 /nfs/dbraw/zinc/89/53/62/1031895362.db2.gz NLQOGQKNMMVXMN-QGZVFWFLSA-N 1 0 330.790 4.354 20 30 EIEDRO C=CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000359977313 1031903546 /nfs/dbraw/zinc/90/35/46/1031903546.db2.gz KHVYRZOZIYFGGT-LJQANCHMSA-N 1 0 338.451 4.181 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)ccc1SC ZINC000453363816 1031907039 /nfs/dbraw/zinc/90/70/39/1031907039.db2.gz CATMEIPMBFOPCU-GFCCVEGCSA-N 1 0 330.428 4.279 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000453377716 1031928180 /nfs/dbraw/zinc/92/81/80/1031928180.db2.gz YLGARJVWPKSHGJ-VYDXJSESSA-N 1 0 344.455 4.260 20 30 EIEDRO N#CCc1cccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000449697235 1031936478 /nfs/dbraw/zinc/93/64/78/1031936478.db2.gz LDDUJAHJDMBALN-ILWGZMRPSA-N 1 0 331.463 4.075 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)c1ccc(F)cc1 ZINC000053088178 1032015620 /nfs/dbraw/zinc/01/56/20/1032015620.db2.gz FBXAXYMEBPLDKL-CYBMUJFWSA-N 1 0 345.443 4.171 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C1(CO)CCCC1 ZINC000453609595 1032041104 /nfs/dbraw/zinc/04/11/04/1032041104.db2.gz GHNAXDYHBOWEIY-FQEVSTJZSA-N 1 0 344.499 4.036 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000453611487 1032046066 /nfs/dbraw/zinc/04/60/66/1032046066.db2.gz ITNWFMDVLIHUQM-SFHVURJKSA-N 1 0 326.465 4.003 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)cc1 ZINC000512572991 1033423957 /nfs/dbraw/zinc/42/39/57/1033423957.db2.gz JTDNQMNWERKEOG-UHFFFAOYSA-N 1 0 345.483 4.242 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)COc1ccc(F)cc1F)c1ccc(C#N)cc1F ZINC000512616845 1033519896 /nfs/dbraw/zinc/51/98/96/1033519896.db2.gz CZMITGYABRHJPH-NWDGAFQWSA-N 1 0 334.341 4.094 20 30 EIEDRO C[C@@H]([NH2+]CCCCOc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512632164 1033555121 /nfs/dbraw/zinc/55/51/21/1033555121.db2.gz XREBWNQONCRSSE-CQSZACIVSA-N 1 0 330.378 4.346 20 30 EIEDRO C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000614168843 1033555532 /nfs/dbraw/zinc/55/55/32/1033555532.db2.gz XLAPPNNNVDASPX-UTKZUKDTSA-N 1 0 334.463 4.450 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000614174050 1033566385 /nfs/dbraw/zinc/56/63/85/1033566385.db2.gz GLNXOTMEXYLMAP-JOCHJYFZSA-N 1 0 348.490 4.360 20 30 EIEDRO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171252 1033576151 /nfs/dbraw/zinc/57/61/51/1033576151.db2.gz HAEDJOYFOXWCCJ-UHFFFAOYSA-N 1 0 326.440 4.038 20 30 EIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512637605 1033582075 /nfs/dbraw/zinc/58/20/75/1033582075.db2.gz XPGSEKHBMPAQED-JTDSTZFVSA-N 1 0 337.442 4.011 20 30 EIEDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512637606 1033582551 /nfs/dbraw/zinc/58/25/51/1033582551.db2.gz XPGSEKHBMPAQED-TXPKVOOTSA-N 1 0 337.442 4.011 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512637194 1033582696 /nfs/dbraw/zinc/58/26/96/1033582696.db2.gz SMJPMMBYUTWENW-HNAYVOBHSA-N 1 0 341.430 4.168 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1OCc1ccccc1)c1ccc(C#N)cc1F ZINC000512649983 1033610169 /nfs/dbraw/zinc/61/01/69/1033610169.db2.gz WBSNCVHDXHLEGD-ONGXBYRLSA-N 1 0 338.426 4.486 20 30 EIEDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2F)c(Cl)c1 ZINC000512655543 1033624679 /nfs/dbraw/zinc/62/46/79/1033624679.db2.gz VGOIHSQHHQSIAC-GFCCVEGCSA-N 1 0 332.806 4.253 20 30 EIEDRO Cc1ccnc(OC2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000614182428 1033627270 /nfs/dbraw/zinc/62/72/70/1033627270.db2.gz RIRDXZDSBYRYAI-UHFFFAOYSA-N 1 0 349.478 4.235 20 30 EIEDRO COC(=O)c1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000433029566 1033697539 /nfs/dbraw/zinc/69/75/39/1033697539.db2.gz BXNVKSQFBPWMPL-MRXNPFEDSA-N 1 0 328.437 4.059 20 30 EIEDRO Cc1cc(C)cc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433038328 1033701864 /nfs/dbraw/zinc/70/18/64/1033701864.db2.gz JFBYNYLXUMECKS-HXUWFJFHSA-N 1 0 335.451 4.267 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(c3ncc(C)s3)CC2)cc1 ZINC000433032848 1033702962 /nfs/dbraw/zinc/70/29/62/1033702962.db2.gz SORLFOVVDBPNLU-UHFFFAOYSA-N 1 0 328.481 4.396 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000433083074 1033811189 /nfs/dbraw/zinc/81/11/89/1033811189.db2.gz NOILQSNBHOWIHZ-IRXDYDNUSA-N 1 0 337.442 4.265 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000433083072 1033811792 /nfs/dbraw/zinc/81/17/92/1033811792.db2.gz NOILQSNBHOWIHZ-DLBZAZTESA-N 1 0 337.442 4.265 20 30 EIEDRO C[C@H](c1nc2ccccc2s1)N(C)CCOc1cccc(C#N)c1 ZINC000051878271 1033899234 /nfs/dbraw/zinc/89/92/34/1033899234.db2.gz NJHDFIPZTOKIMV-CQSZACIVSA-N 1 0 337.448 4.240 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C/C=C\c3ccccc3)CC2)c(F)c1 ZINC000512802569 1033975235 /nfs/dbraw/zinc/97/52/35/1033975235.db2.gz VFNJCIRTCMFONB-DAXSKMNVSA-N 1 0 336.410 4.254 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c(Cl)c1 ZINC000433299915 1034195463 /nfs/dbraw/zinc/19/54/63/1034195463.db2.gz CNCXAPHKRVIKGM-LJQANCHMSA-N 1 0 340.854 4.205 20 30 EIEDRO C[N@H+](CCCCOc1ccccc1C(F)(F)F)CC(C)(C)C#N ZINC000433304027 1034198679 /nfs/dbraw/zinc/19/86/79/1034198679.db2.gz MELQAPZXQPJOMS-UHFFFAOYSA-N 1 0 328.378 4.346 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000513040795 1034350149 /nfs/dbraw/zinc/35/01/49/1034350149.db2.gz LCDGRPLCONPYPL-ZYSHUDEJSA-N 1 0 326.465 4.061 20 30 EIEDRO Cn1cc(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)c2ccc(F)cc21 ZINC000571368135 1034462001 /nfs/dbraw/zinc/46/20/01/1034462001.db2.gz KHBJQTNAXLUDEP-HXUWFJFHSA-N 1 0 333.410 4.009 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(Br)s1 ZINC000614396030 1034532540 /nfs/dbraw/zinc/53/25/40/1034532540.db2.gz QLBPVVSEODOZJW-UHFFFAOYSA-N 1 0 335.270 4.323 20 30 EIEDRO C=CCCC(C)(C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000664149847 1034542565 /nfs/dbraw/zinc/54/25/65/1034542565.db2.gz ZCOXUBJQYZPMOG-QGZVFWFLSA-N 1 0 343.515 4.256 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000614403362 1034549482 /nfs/dbraw/zinc/54/94/82/1034549482.db2.gz UQEVNUQFJGOHOQ-QGZVFWFLSA-N 1 0 326.827 4.173 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000614402644 1034551687 /nfs/dbraw/zinc/55/16/87/1034551687.db2.gz OBCNKDCABQPDRK-QFIPXVFZSA-N 1 0 334.463 4.129 20 30 EIEDRO Cc1cc(C#N)ccc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000614405741 1034553805 /nfs/dbraw/zinc/55/38/05/1034553805.db2.gz GDIKFTKMZDAVFT-QFIPXVFZSA-N 1 0 333.479 4.184 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000542678657 1034621453 /nfs/dbraw/zinc/62/14/53/1034621453.db2.gz AYEFEIZYPYOTSN-WSXQUGQNSA-N 1 0 342.389 4.407 20 30 EIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1C(F)(F)F ZINC000729267377 1034768018 /nfs/dbraw/zinc/76/80/18/1034768018.db2.gz TURNGETYTIZGFS-UHFFFAOYSA-N 1 0 334.341 4.240 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)ccc1SC ZINC000151155198 1034824816 /nfs/dbraw/zinc/82/48/16/1034824816.db2.gz XCZLFOVWEUPCKV-GFCCVEGCSA-N 1 0 330.428 4.279 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513257051 1034860906 /nfs/dbraw/zinc/86/09/06/1034860906.db2.gz OZIQFSPFMXRBMJ-LPHOPBHVSA-N 1 0 336.435 4.029 20 30 EIEDRO C=CCN(CC=C)C(=O)C[N@@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000513402201 1034917689 /nfs/dbraw/zinc/91/76/89/1034917689.db2.gz SZAQJVRSOPRKEP-INIZCTEOSA-N 1 0 326.440 4.016 20 30 EIEDRO C=C1CC[NH+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000513443398 1034950113 /nfs/dbraw/zinc/95/01/13/1034950113.db2.gz MXMCGEACJUTLNP-UHFFFAOYSA-N 1 0 329.875 4.354 20 30 EIEDRO N#Cc1cnc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000513618494 1035060484 /nfs/dbraw/zinc/06/04/84/1035060484.db2.gz GSXMPRBKXFJJQM-UHFFFAOYSA-N 1 0 340.858 4.379 20 30 EIEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000513672808 1035090223 /nfs/dbraw/zinc/09/02/23/1035090223.db2.gz MFEVKXDWQZHKTH-NRFANRHFSA-N 1 0 334.463 4.177 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccco1 ZINC000513662684 1035096608 /nfs/dbraw/zinc/09/66/08/1035096608.db2.gz YRIDDMWZWTVOPR-HOCLYGCPSA-N 1 0 331.847 4.204 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1cccc(C#N)c1 ZINC000279999726 1035125676 /nfs/dbraw/zinc/12/56/76/1035125676.db2.gz FWCVCGOVLNWHOT-VXGBXAGGSA-N 1 0 330.229 4.128 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000280536038 1035290016 /nfs/dbraw/zinc/29/00/16/1035290016.db2.gz AKHLWLPAOZBIGJ-HSMVNMDESA-N 1 0 329.362 4.059 20 30 EIEDRO COc1cc(C[NH2+]CC2(CC#N)CC2)ccc1OCc1ccccc1 ZINC000430032663 1035330813 /nfs/dbraw/zinc/33/08/13/1035330813.db2.gz CWCHMECZAKMODK-UHFFFAOYSA-N 1 0 336.435 4.058 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000501211177 1035400406 /nfs/dbraw/zinc/40/04/06/1035400406.db2.gz QMTDVWWKTGMKRV-QGZVFWFLSA-N 1 0 338.476 4.181 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc3ccsc32)CC1 ZINC000501217705 1035401957 /nfs/dbraw/zinc/40/19/57/1035401957.db2.gz MNMQXTGHYBYBGI-UHFFFAOYSA-N 1 0 329.469 4.063 20 30 EIEDRO Cc1nccc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000366473277 1035423858 /nfs/dbraw/zinc/42/38/58/1035423858.db2.gz WNUUBNBWELSTGD-OAHLLOKOSA-N 1 0 328.419 4.175 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc4occc4c3)CCOCC2)c1 ZINC000594980323 1035515788 /nfs/dbraw/zinc/51/57/88/1035515788.db2.gz PHVILPVEQLPXRU-UHFFFAOYSA-N 1 0 332.403 4.100 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C3CCC4(CC4(F)F)CC3)CC2)cc1 ZINC000594984316 1035516696 /nfs/dbraw/zinc/51/66/96/1035516696.db2.gz RQFYHEDSJNHREK-UHFFFAOYSA-N 1 0 345.437 4.085 20 30 EIEDRO CC(C)[C@H](O)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594990403 1035521084 /nfs/dbraw/zinc/52/10/84/1035521084.db2.gz PYTJPXZBCNYBJX-RTWAWAEBSA-N 1 0 334.463 4.090 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000595061162 1035541589 /nfs/dbraw/zinc/54/15/89/1035541589.db2.gz QKKJUNHVZFBAAF-NVXWUHKLSA-N 1 0 339.870 4.389 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)CC2 ZINC000595074373 1035589419 /nfs/dbraw/zinc/58/94/19/1035589419.db2.gz RGJVOKRWFAYCOX-DLBZAZTESA-N 1 0 338.373 4.025 20 30 EIEDRO Cc1cc(Br)c(C[NH2+][C@H]2CCc3ccc(C#N)cc32)s1 ZINC000595079873 1035592393 /nfs/dbraw/zinc/59/23/93/1035592393.db2.gz HFZNJPREVNBMPN-HNNXBMFYSA-N 1 0 347.281 4.468 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccnc2ccccc12 ZINC000595075051 1035595090 /nfs/dbraw/zinc/59/50/90/1035595090.db2.gz VKBFSCOTJLMCJK-QFIPXVFZSA-N 1 0 327.431 4.316 20 30 EIEDRO CC(C)[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000595092211 1035599656 /nfs/dbraw/zinc/59/96/56/1035599656.db2.gz ZHJSWLQTBHNMOM-QGZVFWFLSA-N 1 0 327.428 4.294 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)CCc1ccc(C#N)cc1 ZINC000595302107 1035640183 /nfs/dbraw/zinc/64/01/83/1035640183.db2.gz RMRKZJLNKNOJRU-UHFFFAOYSA-N 1 0 345.446 4.320 20 30 EIEDRO COCOc1ccc(C#N)cc1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000904881241 1035642856 /nfs/dbraw/zinc/64/28/56/1035642856.db2.gz JNJYZRWEXXRZPX-INIZCTEOSA-N 1 0 336.435 4.365 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595428825 1035676428 /nfs/dbraw/zinc/67/64/28/1035676428.db2.gz NYADGEGVFZJOAL-LIRRHRJNSA-N 1 0 328.843 4.120 20 30 EIEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000595433934 1035679466 /nfs/dbraw/zinc/67/94/66/1035679466.db2.gz XBKSQHVCFUREON-NHCUHLMSSA-N 1 0 338.426 4.092 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c(C(F)(F)F)c1 ZINC000595487106 1035681857 /nfs/dbraw/zinc/68/18/57/1035681857.db2.gz DTLASWDNLCRYMV-MRXNPFEDSA-N 1 0 345.368 4.352 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc(F)c3OC(F)F)CCC2)cc1 ZINC000595562480 1035692683 /nfs/dbraw/zinc/69/26/83/1035692683.db2.gz OLQSDSGMGWEAMB-UHFFFAOYSA-N 1 0 346.352 4.468 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(F)ccc3OC(F)F)CCC2)cc1 ZINC000595561401 1035693682 /nfs/dbraw/zinc/69/36/82/1035693682.db2.gz INDSSASRXTWTAX-UHFFFAOYSA-N 1 0 346.352 4.468 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)ccc1F ZINC000595551587 1035703914 /nfs/dbraw/zinc/70/39/14/1035703914.db2.gz ISTVHAWPBJAORJ-UHFFFAOYSA-N 1 0 348.425 4.028 20 30 EIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(/N=C/c2cc(Cl)ccc2O)CC1 ZINC000158275684 1035724017 /nfs/dbraw/zinc/72/40/17/1035724017.db2.gz RFXIDEHIOIAYTK-KOUDTOEKSA-N 1 0 343.858 4.085 20 30 EIEDRO CC(C)([NH2+]CCCc1nc(-c2ccccc2)no1)c1cccc(C#N)c1 ZINC000595635409 1035740970 /nfs/dbraw/zinc/74/09/70/1035740970.db2.gz KFJICQDIZSYTFM-UHFFFAOYSA-N 1 0 346.434 4.066 20 30 EIEDRO Cc1cc(C)n(-c2ccc(C[NH2+]C(C)(C)c3cccc(C#N)c3)cc2)n1 ZINC000595639037 1035742821 /nfs/dbraw/zinc/74/28/21/1035742821.db2.gz FGCVOALHSYZBIN-UHFFFAOYSA-N 1 0 344.462 4.386 20 30 EIEDRO CC(C)([NH2+]Cc1cc2c(cc1Cl)OCCO2)c1cccc(C#N)c1 ZINC000595633485 1035743089 /nfs/dbraw/zinc/74/30/89/1035743089.db2.gz STJODXIGFZBRKG-UHFFFAOYSA-N 1 0 342.826 4.008 20 30 EIEDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000595643306 1035757617 /nfs/dbraw/zinc/75/76/17/1035757617.db2.gz XHNUYQZSCTVXGO-HUUCEWRRSA-N 1 0 347.528 4.291 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1F ZINC000595688784 1035763726 /nfs/dbraw/zinc/76/37/26/1035763726.db2.gz ARILZRMMQHLQBQ-LIRRHRJNSA-N 1 0 339.414 4.011 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1F ZINC000595688781 1035767767 /nfs/dbraw/zinc/76/77/67/1035767767.db2.gz ARILZRMMQHLQBQ-AUUYWEPGSA-N 1 0 339.414 4.011 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CC[C@H]3CCc4ccccc43)CCOCC2)c1 ZINC000595768935 1035778629 /nfs/dbraw/zinc/77/86/29/1035778629.db2.gz MRTXKHNGKJPYKL-HXUWFJFHSA-N 1 0 346.474 4.274 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](C4CCCCC4)C3)o2)cc1 ZINC000595742204 1035783299 /nfs/dbraw/zinc/78/32/99/1035783299.db2.gz XPIZSVGLZDQOLE-SFHVURJKSA-N 1 0 336.439 4.010 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000595785583 1035791137 /nfs/dbraw/zinc/79/11/37/1035791137.db2.gz YIEOMXMLLQTAKB-FQEVSTJZSA-N 1 0 326.484 4.269 20 30 EIEDRO CC(C)CC1([NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000595831683 1035801140 /nfs/dbraw/zinc/80/11/40/1035801140.db2.gz PHLBBSSHHZYEIT-HNNXBMFYSA-N 1 0 345.512 4.188 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)c1F ZINC000595828761 1035801217 /nfs/dbraw/zinc/80/12/17/1035801217.db2.gz LMTXFAFIMSLAJP-UHFFFAOYSA-N 1 0 336.410 4.057 20 30 EIEDRO C[C@H]1[C@H](C)[N@H+](CCCC(C)(C)C#N)CCN1CCCC(C)(C)C#N ZINC000595887853 1035803193 /nfs/dbraw/zinc/80/31/93/1035803193.db2.gz UXZCJDJBIJBAIJ-ROUUACIJSA-N 1 0 332.536 4.041 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000586794630 1035849268 /nfs/dbraw/zinc/84/92/68/1035849268.db2.gz ZXDINIIITCCQGQ-ATZDWAIDSA-N 1 0 332.875 4.480 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000613242568 1035873890 /nfs/dbraw/zinc/87/38/90/1035873890.db2.gz DQVDQUDEFUAUPB-BVSLBCMMSA-N 1 0 332.447 4.446 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000054990618 1035877141 /nfs/dbraw/zinc/87/71/41/1035877141.db2.gz VVGQFFAFQUUXPQ-OAQYLSRUSA-N 1 0 349.478 4.310 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000485455752 1035885417 /nfs/dbraw/zinc/88/54/17/1035885417.db2.gz PAHWZLYNAQDVFH-KRWDZBQOSA-N 1 0 346.540 4.207 20 30 EIEDRO C[C@@H](CCc1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593183562 1035891427 /nfs/dbraw/zinc/89/14/27/1035891427.db2.gz BNUFCTNBBKNCQN-IBGZPJMESA-N 1 0 347.506 4.134 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)c1 ZINC000593184125 1035894769 /nfs/dbraw/zinc/89/47/69/1035894769.db2.gz WPVDXZWSPRYXGY-HSZRJFAPSA-N 1 0 345.490 4.190 20 30 EIEDRO C=CCSc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000485460432 1035895551 /nfs/dbraw/zinc/89/55/51/1035895551.db2.gz IDHZRVKVCMSHPS-OAHLLOKOSA-N 1 0 346.521 4.059 20 30 EIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](CO)c2ccccc21)c1ccc(C#N)cc1Cl ZINC000366743030 1035909310 /nfs/dbraw/zinc/90/93/10/1035909310.db2.gz JOZMESBEDCKADP-PTAUBWNISA-N 1 0 326.827 4.083 20 30 EIEDRO C[NH+](C)Cc1ccc(F)c(-c2ccc(C3(C#N)CCOCC3)cc2)c1 ZINC000596640633 1035960907 /nfs/dbraw/zinc/96/09/07/1035960907.db2.gz NFZBGZFKRFJPNY-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO Cc1ccc(C#N)cc1C(=O)N(C[C@H](C)[NH+](C)C)c1c(C)cccc1C ZINC000905934708 1035987794 /nfs/dbraw/zinc/98/77/94/1035987794.db2.gz UIAOCUKNLIOZBV-SFHVURJKSA-N 1 0 349.478 4.080 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1OC ZINC000571350882 1036029034 /nfs/dbraw/zinc/02/90/34/1036029034.db2.gz YJGUIHOPOHJJCA-UAPYVXQJSA-N 1 0 341.426 4.435 20 30 EIEDRO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596998301 1036071398 /nfs/dbraw/zinc/07/13/98/1036071398.db2.gz LTXMESKOSCLFFJ-LAUBAEHRSA-N 1 0 332.447 4.204 20 30 EIEDRO CC(C)CCOC1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596988910 1036073176 /nfs/dbraw/zinc/07/31/76/1036073176.db2.gz MFUGRYBIGGOLMR-UHFFFAOYSA-N 1 0 326.484 4.269 20 30 EIEDRO N#Cc1cc(-c2ccc([C@H]3[NH2+]CCc4nc[nH]c43)cc2)ccc1C1CC1 ZINC000906199302 1036141003 /nfs/dbraw/zinc/14/10/03/1036141003.db2.gz NYAFQRXNLHKQKT-OAQYLSRUSA-N 1 0 340.430 4.061 20 30 EIEDRO Cc1cc[nH+]c(NC2CCN(c3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000597193848 1036144223 /nfs/dbraw/zinc/14/42/23/1036144223.db2.gz YIOFESDGRMTZKN-UHFFFAOYSA-N 1 0 332.451 4.220 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCCCC#N)cc1 ZINC000588150877 1036248666 /nfs/dbraw/zinc/24/86/66/1036248666.db2.gz IZWIXRSHCRNUJT-SFHVURJKSA-N 1 0 341.499 4.151 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCCCC#N)C1 ZINC000588151761 1036248836 /nfs/dbraw/zinc/24/88/36/1036248836.db2.gz UCPVHQAUOGKLNG-GOSISDBHSA-N 1 0 341.499 4.009 20 30 EIEDRO C=CCC1([NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000668550486 1036286685 /nfs/dbraw/zinc/28/66/85/1036286685.db2.gz ADCKAWGBLHSZFC-AWEZNQCLSA-N 1 0 327.390 4.351 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000421349811 1036292938 /nfs/dbraw/zinc/29/29/38/1036292938.db2.gz JOINDUFJZNNEHM-GUYCJALGSA-N 1 0 341.436 4.029 20 30 EIEDRO CCN(C(=O)CCCCCC#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000588648175 1036389484 /nfs/dbraw/zinc/38/94/84/1036389484.db2.gz CJQGHXHOCHDZNX-QUCCMNQESA-N 1 0 341.499 4.144 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC(F)F)c(OC)c1 ZINC000502615804 1036406382 /nfs/dbraw/zinc/40/63/82/1036406382.db2.gz CJUZYKUKPIYDRG-UHFFFAOYSA-N 1 0 333.378 4.485 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1N[C@@H](C)CC1(C#N)CCOCC1 ZINC000602498386 1036472068 /nfs/dbraw/zinc/47/20/68/1036472068.db2.gz YUSMZEMATSXIJE-SFHVURJKSA-N 1 0 341.499 4.102 20 30 EIEDRO COc1cc(C[NH2+]C[C@@H](C)CCC#N)ccc1OCc1ccccc1 ZINC000602508913 1036483245 /nfs/dbraw/zinc/48/32/45/1036483245.db2.gz NSGVKRMLHXENOB-KRWDZBQOSA-N 1 0 338.451 4.304 20 30 EIEDRO COc1ccc([C@@H]([NH2+]C[C@H](C)CCC#N)c2ccc(F)cc2)cc1 ZINC000602536604 1036490597 /nfs/dbraw/zinc/49/05/97/1036490597.db2.gz UUISKWQRIQKPAQ-QRWLVFNGSA-N 1 0 326.415 4.453 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000602595571 1036503411 /nfs/dbraw/zinc/50/34/11/1036503411.db2.gz YYJBODQOUMUWAX-QGZVFWFLSA-N 1 0 342.483 4.197 20 30 EIEDRO CCN1CC[C@H]([NH2+]C[C@@H](C)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000602583350 1036510508 /nfs/dbraw/zinc/51/05/08/1036510508.db2.gz QRUVVXCXPPRBTO-KKXDTOCCSA-N 1 0 337.870 4.144 20 30 EIEDRO CCN1CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000602583347 1036511447 /nfs/dbraw/zinc/51/14/47/1036511447.db2.gz QRUVVXCXPPRBTO-BVGQSLNGSA-N 1 0 337.870 4.144 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000602586323 1036514656 /nfs/dbraw/zinc/51/46/56/1036514656.db2.gz PUGIWCRTKUDNKE-UZLBHIALSA-N 1 0 332.451 4.192 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000602610239 1036528920 /nfs/dbraw/zinc/52/89/20/1036528920.db2.gz HMMAOJMRTNECGL-WBVHZDCISA-N 1 0 339.508 4.445 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000602648156 1036540517 /nfs/dbraw/zinc/54/05/17/1036540517.db2.gz MCEZNGYWDDZENE-SUMDDJOVSA-N 1 0 330.447 4.150 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000602632615 1036546132 /nfs/dbraw/zinc/54/61/32/1036546132.db2.gz CVKHVJUOQMXESC-YZGWKJHDSA-N 1 0 326.484 4.401 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000602699969 1036577893 /nfs/dbraw/zinc/57/78/93/1036577893.db2.gz PTHIXTXXZSRFLS-RHSMWYFYSA-N 1 0 346.446 4.116 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+]C(C)(C)c1cccc(C#N)c1)CC2 ZINC000602706171 1036582946 /nfs/dbraw/zinc/58/29/46/1036582946.db2.gz IRDDAIUYXOEPIL-GOSISDBHSA-N 1 0 336.435 4.088 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000602719747 1036593090 /nfs/dbraw/zinc/59/30/90/1036593090.db2.gz GGCDYEKOGJFMNR-UWVGGRQHSA-N 1 0 331.204 4.318 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1c[nH]c2c1cccc2Cl ZINC000602730054 1036598731 /nfs/dbraw/zinc/59/87/31/1036598731.db2.gz OFZKTXDVNLUBHT-AWEZNQCLSA-N 1 0 345.874 4.052 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000602733914 1036600970 /nfs/dbraw/zinc/60/09/70/1036600970.db2.gz ZRCPSLMTVQHDPF-LEWJYISDSA-N 1 0 334.463 4.186 20 30 EIEDRO N#CCC1(C[NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000602801491 1036626371 /nfs/dbraw/zinc/62/63/71/1036626371.db2.gz DWQJILWXMHWBAH-LJQANCHMSA-N 1 0 348.425 4.200 20 30 EIEDRO N#CCC1(C[NH+]2CCC(c3nc(C(F)(F)F)cs3)CC2)CC1 ZINC000602837726 1036637388 /nfs/dbraw/zinc/63/73/88/1036637388.db2.gz ZHWSZDHFIZEAEC-UHFFFAOYSA-N 1 0 329.391 4.035 20 30 EIEDRO CC1=Nc2ccccc2C12CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC000602864778 1036645811 /nfs/dbraw/zinc/64/58/11/1036645811.db2.gz PTUFCMDYYJQZKD-UHFFFAOYSA-N 1 0 333.410 4.337 20 30 EIEDRO CC1=Nc2ccccc2C12CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000602864913 1036649594 /nfs/dbraw/zinc/64/95/94/1036649594.db2.gz RHKMLQHWPNTFBH-UHFFFAOYSA-N 1 0 333.410 4.337 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602884079 1036661022 /nfs/dbraw/zinc/66/10/22/1036661022.db2.gz BJDOVPUVTQYXAU-HNAYVOBHSA-N 1 0 328.419 4.052 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000602924945 1036669535 /nfs/dbraw/zinc/66/95/35/1036669535.db2.gz KYADNTWNOQMNQI-MRXNPFEDSA-N 1 0 326.843 4.212 20 30 EIEDRO CC(C)(C#N)CCCCN1C[C@@H]2C[C@H]1C[N@@H+]2CCCCC(C)(C)C#N ZINC000602988403 1036689654 /nfs/dbraw/zinc/68/96/54/1036689654.db2.gz JHUUNVFKCBEKFS-OALUTQOASA-N 1 0 344.547 4.185 20 30 EIEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)cs1 ZINC000598603641 1036706524 /nfs/dbraw/zinc/70/65/24/1036706524.db2.gz XQPUASWPFWVBGO-DYVFJYSZSA-N 1 0 343.496 4.070 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000598592004 1036709579 /nfs/dbraw/zinc/70/95/79/1036709579.db2.gz DOCFSPWYHSZMSV-RTWAWAEBSA-N 1 0 334.463 4.087 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000593587801 1036725005 /nfs/dbraw/zinc/72/50/05/1036725005.db2.gz YEBKNQNAMNRKEX-JKSUJKDBSA-N 1 0 330.472 4.357 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000598649965 1036739238 /nfs/dbraw/zinc/73/92/38/1036739238.db2.gz VWIFBHCNIPHGCA-GOSISDBHSA-N 1 0 342.389 4.272 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(C(F)(F)F)cc1)CC2 ZINC000589337160 1036739432 /nfs/dbraw/zinc/73/94/32/1036739432.db2.gz MCJYKLCVINICFN-GOSISDBHSA-N 1 0 330.353 4.397 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cccc(-n2cccn2)c1 ZINC000589340461 1036739758 /nfs/dbraw/zinc/73/97/58/1036739758.db2.gz FEZFZPNOZCAQKA-QVKFZJNVSA-N 1 0 328.419 4.082 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CN[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000589341706 1036739889 /nfs/dbraw/zinc/73/98/89/1036739889.db2.gz HMPWBZGYAJCWGA-KKSFZXQISA-N 1 0 333.479 4.265 20 30 EIEDRO COC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc(Cl)c1 ZINC000589344178 1036742647 /nfs/dbraw/zinc/74/26/47/1036742647.db2.gz DWDKZLYAMMJWOR-QGZVFWFLSA-N 1 0 335.234 4.342 20 30 EIEDRO COc1cc(C[NH2+]Cc2c(Cl)ccc3cccnc32)ccc1C#N ZINC000589322884 1036746891 /nfs/dbraw/zinc/74/68/91/1036746891.db2.gz WCTFRPBQZCVWQT-UHFFFAOYSA-N 1 0 337.810 4.058 20 30 EIEDRO C[C@]1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)OCCc2sccc21 ZINC000589348801 1036760080 /nfs/dbraw/zinc/76/00/80/1036760080.db2.gz DMSDDAAKFDXAJU-AZUAARDMSA-N 1 0 338.476 4.075 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000593602968 1036762058 /nfs/dbraw/zinc/76/20/58/1036762058.db2.gz RCICDAGDHKBOCR-JKSUJKDBSA-N 1 0 330.472 4.357 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000589506743 1036799074 /nfs/dbraw/zinc/79/90/74/1036799074.db2.gz RVSQFJZWHRVEIX-GFCCVEGCSA-N 1 0 329.325 4.300 20 30 EIEDRO CC(C)c1[nH+]c(CNCc2ccc(C#N)c(Cl)c2)c2ccccn21 ZINC000593625371 1036800404 /nfs/dbraw/zinc/80/04/04/1036800404.db2.gz ZDMOONZLSRYQLU-UHFFFAOYSA-N 1 0 338.842 4.273 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1OC(F)(F)F ZINC000421880766 1036831541 /nfs/dbraw/zinc/83/15/41/1036831541.db2.gz OPDRDLQPOIZUTR-SNVBAGLBSA-N 1 0 326.343 4.369 20 30 EIEDRO COc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1OC1CC1 ZINC000598982765 1036840401 /nfs/dbraw/zinc/84/04/01/1036840401.db2.gz ZLXQTTICJBCWRA-UHFFFAOYSA-N 1 0 348.446 4.277 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000502992967 1036853908 /nfs/dbraw/zinc/85/39/08/1036853908.db2.gz VJWUVWMYGGUHHF-ZDUSSCGKSA-N 1 0 329.241 4.214 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280766074 1036855169 /nfs/dbraw/zinc/85/51/69/1036855169.db2.gz OOICSCJCSBIYIS-AWEZNQCLSA-N 1 0 348.796 4.312 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000589743008 1036869262 /nfs/dbraw/zinc/86/92/62/1036869262.db2.gz WSJIQCNGGHRYKI-JWOSDPRPSA-N 1 0 326.484 4.018 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)ccc1C#N ZINC000593674184 1036873007 /nfs/dbraw/zinc/87/30/07/1036873007.db2.gz PEQSZRPWLOGYSC-KRWDZBQOSA-N 1 0 340.398 4.098 20 30 EIEDRO C[NH+]1CCC(CC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000589848126 1036883182 /nfs/dbraw/zinc/88/31/82/1036883182.db2.gz WCZOZWULGSZXOZ-UHFFFAOYSA-N 1 0 349.434 4.021 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1CCCC1 ZINC000593694860 1036898640 /nfs/dbraw/zinc/89/86/40/1036898640.db2.gz CNGDIMPOWRUYIM-NRFANRHFSA-N 1 0 325.500 4.081 20 30 EIEDRO CC(C)=CCC[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593702732 1036908642 /nfs/dbraw/zinc/90/86/42/1036908642.db2.gz NLAXTJATZSNYTJ-SFHVURJKSA-N 1 0 325.500 4.247 20 30 EIEDRO CCOc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1F ZINC000486962978 1036924997 /nfs/dbraw/zinc/92/49/97/1036924997.db2.gz DKLXOIBBGNNALY-UHFFFAOYSA-N 1 0 344.455 4.119 20 30 EIEDRO Cc1cccc2c1CC[C@H]2[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593723341 1036937336 /nfs/dbraw/zinc/93/73/36/1036937336.db2.gz UQFSQHCGGPKPNS-HSZRJFAPSA-N 1 0 345.490 4.108 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)oc1C ZINC000593725631 1036944655 /nfs/dbraw/zinc/94/46/55/1036944655.db2.gz ODHWCVGBWPDRIW-INIZCTEOSA-N 1 0 337.467 4.083 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccsc1 ZINC000593726347 1036955302 /nfs/dbraw/zinc/95/53/02/1036955302.db2.gz YMZAZKKLGQICIJ-FQEVSTJZSA-N 1 0 339.508 4.325 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000599348208 1036962057 /nfs/dbraw/zinc/96/20/57/1036962057.db2.gz DEVDLMCTBDHVHM-AEFFLSMTSA-N 1 0 336.435 4.184 20 30 EIEDRO CCC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000599348514 1036962765 /nfs/dbraw/zinc/96/27/65/1036962765.db2.gz FLFJXIMUFMTONN-CZUORRHYSA-N 1 0 341.282 4.479 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccccc1Oc1ccccc1 ZINC000599350751 1036963729 /nfs/dbraw/zinc/96/37/29/1036963729.db2.gz ZBJIJOATUABBMD-SJORKVTESA-N 1 0 336.435 4.184 20 30 EIEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)CC1 ZINC000599353563 1036966644 /nfs/dbraw/zinc/96/66/44/1036966644.db2.gz ISOBXLRAELRUIQ-ZWKOTPCHSA-N 1 0 332.875 4.216 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000599414929 1037005896 /nfs/dbraw/zinc/00/58/96/1037005896.db2.gz KODCFWRNCBCXSO-GOSISDBHSA-N 1 0 349.261 4.387 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000590259685 1037024470 /nfs/dbraw/zinc/02/44/70/1037024470.db2.gz LZPBYCMVDULLJQ-KRWDZBQOSA-N 1 0 345.368 4.182 20 30 EIEDRO C#CCCCC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000165936206 1037025057 /nfs/dbraw/zinc/02/50/57/1037025057.db2.gz PFJLLFZEOZMFOV-UHFFFAOYSA-N 1 0 345.078 4.105 20 30 EIEDRO CC(C)C[NH+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC(C)C ZINC000603845317 1037038797 /nfs/dbraw/zinc/03/87/97/1037038797.db2.gz YMTJSZCBRHDMRE-UHFFFAOYSA-N 1 0 349.906 4.201 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000603894803 1037079836 /nfs/dbraw/zinc/07/98/36/1037079836.db2.gz PBKMSRKELJVNDO-UHFFFAOYSA-N 1 0 348.368 4.226 20 30 EIEDRO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583584 1037084835 /nfs/dbraw/zinc/08/48/35/1037084835.db2.gz SHBLEUPFCVCVAT-IRXDYDNUSA-N 1 0 334.504 4.150 20 30 EIEDRO C=CCC1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCCC1 ZINC000599611932 1037098534 /nfs/dbraw/zinc/09/85/34/1037098534.db2.gz DBWDWUIWIWDWRI-UHFFFAOYSA-N 1 0 342.399 4.013 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3sccc3Cl)C2)c(F)c1 ZINC000487285770 1037100897 /nfs/dbraw/zinc/10/08/97/1037100897.db2.gz CRFGWFSJRPBMCJ-ZDUSSCGKSA-N 1 0 349.862 4.171 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000599660080 1037121370 /nfs/dbraw/zinc/12/13/70/1037121370.db2.gz MXCZXEQJQYWYSE-UHFFFAOYSA-N 1 0 338.499 4.006 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000590644598 1037131576 /nfs/dbraw/zinc/13/15/76/1037131576.db2.gz PIUXWVHKCYZACC-KBWCOIMZSA-N 1 0 325.500 4.276 20 30 EIEDRO CN1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000590780184 1037163188 /nfs/dbraw/zinc/16/31/88/1037163188.db2.gz XMTFWHRBQXCDNU-NHCUHLMSSA-N 1 0 331.463 4.497 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000604046891 1037164509 /nfs/dbraw/zinc/16/45/09/1037164509.db2.gz CNWNHJHRNYQJIR-UONOGXRCSA-N 1 0 341.842 4.198 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CC3(CC(F)C3)C2)c1 ZINC000590969300 1037218457 /nfs/dbraw/zinc/21/84/57/1037218457.db2.gz OWZBOTQZGIFQLZ-UHFFFAOYSA-N 1 0 336.410 4.071 20 30 EIEDRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000591016933 1037258310 /nfs/dbraw/zinc/25/83/10/1037258310.db2.gz AEECWXNRHQFRLD-FXAWDEMLSA-N 1 0 342.483 4.128 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2OCC)ccc1OC ZINC000057966191 1037362394 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EIEDRO N#Cc1cnc2c(Cl)cccc2c1NCC1CC[NH+](C2CC2)CC1 ZINC000591936103 1037662009 /nfs/dbraw/zinc/66/20/09/1037662009.db2.gz SKLSZSGGDFYDHD-UHFFFAOYSA-N 1 0 340.858 4.046 20 30 EIEDRO N#Cc1cnccc1C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000592113696 1037735725 /nfs/dbraw/zinc/73/57/25/1037735725.db2.gz HCJKEKTVIPZUGH-WMZOPIPTSA-N 1 0 345.368 4.398 20 30 EIEDRO CCCC[N@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCc2ncsc2C1 ZINC000592188875 1037742540 /nfs/dbraw/zinc/74/25/40/1037742540.db2.gz QYEFGYUXCFJMII-GOSISDBHSA-N 1 0 339.508 4.369 20 30 EIEDRO C[C@H]1C[C@]1([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000503434249 1037755044 /nfs/dbraw/zinc/75/50/44/1037755044.db2.gz RHYIGVFONFTLGD-HNAYVOBHSA-N 1 0 332.875 4.265 20 30 EIEDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000592380301 1037793996 /nfs/dbraw/zinc/79/39/96/1037793996.db2.gz QMHJQGPWYFKHQN-YWZLYKJASA-N 1 0 338.476 4.121 20 30 EIEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1ccc(C#N)cc1 ZINC000489072857 1037850317 /nfs/dbraw/zinc/85/03/17/1037850317.db2.gz UHTUVQVHYNLBCH-IBGZPJMESA-N 1 0 326.415 4.281 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ccc(OC)cc2)C2CC2)cc1 ZINC000172112701 1037857130 /nfs/dbraw/zinc/85/71/30/1037857130.db2.gz BUTBFCZCDMKXRF-JOCHJYFZSA-N 1 0 335.447 4.338 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000172116978 1037857983 /nfs/dbraw/zinc/85/79/83/1037857983.db2.gz RPJYASUYQOVEHU-FGZHOGPDSA-N 1 0 335.447 4.099 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249410886 1037895777 /nfs/dbraw/zinc/89/57/77/1037895777.db2.gz XWVKRELKYONVKC-WSTZPKSXSA-N 1 0 325.500 4.206 20 30 EIEDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(C[C@H](C#N)CO)c2)cc1 ZINC000592987359 1037897454 /nfs/dbraw/zinc/89/74/54/1037897454.db2.gz YVJGZIGXSGWNQE-YLJYHZDGSA-N 1 0 334.463 4.012 20 30 EIEDRO CC(C)c1ccc([C@H](N)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423250831 1038081606 /nfs/dbraw/zinc/08/16/06/1038081606.db2.gz VPVHPJVEJYXFCN-VBKZILBWSA-N 1 0 325.431 4.171 20 30 EIEDRO COc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000570490264 1038083456 /nfs/dbraw/zinc/08/34/56/1038083456.db2.gz BVZLBDJUGZZSBI-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000593660982 1038120784 /nfs/dbraw/zinc/12/07/84/1038120784.db2.gz UXOMYRBIKNCMNX-PKOBYXMFSA-N 1 0 336.483 4.378 20 30 EIEDRO Cc1cc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)ccc1C#N ZINC000594019503 1038211819 /nfs/dbraw/zinc/21/18/19/1038211819.db2.gz NGCUPPDJLDZKKD-UHFFFAOYSA-N 1 0 342.446 4.190 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1F ZINC000423425205 1038212393 /nfs/dbraw/zinc/21/23/93/1038212393.db2.gz DDHJONCNYNHDNJ-XIKOKIGWSA-N 1 0 339.414 4.233 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc2c1CCCN2 ZINC000423416028 1038221096 /nfs/dbraw/zinc/22/10/96/1038221096.db2.gz PXEWFWGODQTJKG-JOCHJYFZSA-N 1 0 331.463 4.474 20 30 EIEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)CCCCC#N)ccc21 ZINC000593971235 1038233461 /nfs/dbraw/zinc/23/34/61/1038233461.db2.gz VRWRVIUHUOWOEJ-UHFFFAOYSA-N 1 0 340.471 4.006 20 30 EIEDRO COc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(Cl)c1 ZINC000594033577 1038246965 /nfs/dbraw/zinc/24/69/65/1038246965.db2.gz UPBZWZBULCORQP-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO CCc1ccccc1[C@@H](N)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423510937 1038268016 /nfs/dbraw/zinc/26/80/16/1038268016.db2.gz SXRVPCQTJRLTFO-APKLWFBNSA-N 1 0 347.506 4.243 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000489913463 1038283359 /nfs/dbraw/zinc/28/33/59/1038283359.db2.gz YNKRGXHTQXFAIP-CKJXQJPGSA-N 1 0 337.442 4.011 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000489913469 1038283411 /nfs/dbraw/zinc/28/34/11/1038283411.db2.gz YNKRGXHTQXFAIP-QYWGDWMGSA-N 1 0 337.442 4.011 20 30 EIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000490046440 1038320896 /nfs/dbraw/zinc/32/08/96/1038320896.db2.gz CPQWSGHXCSAIAI-SFHVURJKSA-N 1 0 344.842 4.040 20 30 EIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000490046435 1038321241 /nfs/dbraw/zinc/32/12/41/1038321241.db2.gz CPQWSGHXCSAIAI-GOSISDBHSA-N 1 0 344.842 4.040 20 30 EIEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000594432836 1038333501 /nfs/dbraw/zinc/33/35/01/1038333501.db2.gz GXDNRWUJOZAHEJ-GOSISDBHSA-N 1 0 345.512 4.212 20 30 EIEDRO C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)c2ccccc21 ZINC000594442055 1038336142 /nfs/dbraw/zinc/33/61/42/1038336142.db2.gz BMIMDWGCWVMIGB-FZKQIMNGSA-N 1 0 343.858 4.082 20 30 EIEDRO Cc1cccc(Oc2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594424968 1038339751 /nfs/dbraw/zinc/33/97/51/1038339751.db2.gz FHIDBGWKGBQDHQ-QGZVFWFLSA-N 1 0 337.423 4.137 20 30 EIEDRO CCC(=O)Nc1cccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594494827 1038346255 /nfs/dbraw/zinc/34/62/55/1038346255.db2.gz IHQYRNZNMSTXIY-UHFFFAOYSA-N 1 0 335.451 4.126 20 30 EIEDRO Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000594494617 1038346369 /nfs/dbraw/zinc/34/63/69/1038346369.db2.gz ZVVWQSMVEDGJCV-UHFFFAOYSA-N 1 0 349.478 4.141 20 30 EIEDRO C[NH+](C)CCOc1cccc(NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594504775 1038351668 /nfs/dbraw/zinc/35/16/68/1038351668.db2.gz KKXDPENFEACFGW-UHFFFAOYSA-N 1 0 337.467 4.040 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000594504565 1038351788 /nfs/dbraw/zinc/35/17/88/1038351788.db2.gz PISAJPMWOXXSBT-VLIAUNLRSA-N 1 0 334.419 4.073 20 30 EIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594514620 1038357203 /nfs/dbraw/zinc/35/72/03/1038357203.db2.gz JTHIACHLGAENMP-HNNXBMFYSA-N 1 0 333.435 4.247 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cnc(-c4ccco4)s3)CCC2)cc1 ZINC000594518002 1038357779 /nfs/dbraw/zinc/35/77/79/1038357779.db2.gz GGGBMDZZZSTTOU-UHFFFAOYSA-N 1 0 335.432 4.444 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc4c(c3)OCCCCO4)CCC2)cc1 ZINC000594516074 1038357874 /nfs/dbraw/zinc/35/78/74/1038357874.db2.gz AUOYFLFLIVPVBC-UHFFFAOYSA-N 1 0 348.446 4.279 20 30 EIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc([S@](C)=O)cc1 ZINC000594519573 1038360441 /nfs/dbraw/zinc/36/04/41/1038360441.db2.gz WDMCLBBQDQDODM-OWJWWREXSA-N 1 0 338.476 4.026 20 30 EIEDRO CC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000594520342 1038361866 /nfs/dbraw/zinc/36/18/66/1038361866.db2.gz NEBSIXFZIKRBEZ-JWFWCLOMSA-N 1 0 326.484 4.328 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2cccc(C(F)(F)F)n2)cc1 ZINC000594522184 1038362858 /nfs/dbraw/zinc/36/28/58/1038362858.db2.gz YWZJBODYJYYVDI-UHFFFAOYSA-N 1 0 347.384 4.234 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@]2(C)OCCc3sccc32)cc1 ZINC000594521476 1038363075 /nfs/dbraw/zinc/36/30/75/1038363075.db2.gz RZPLUOMAEFEUFP-FQEVSTJZSA-N 1 0 340.492 4.127 20 30 EIEDRO N#CCC1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000594605349 1038379945 /nfs/dbraw/zinc/37/99/45/1038379945.db2.gz KJYQSWBCVXGBHV-UHFFFAOYSA-N 1 0 333.229 4.321 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3csc(Br)c3)cc2)CC1 ZINC000594926864 1038428511 /nfs/dbraw/zinc/42/85/11/1038428511.db2.gz WQVCPHRVDDXZNA-UHFFFAOYSA-N 1 0 347.281 4.356 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(-n2cccn2)c1 ZINC000594929622 1038428675 /nfs/dbraw/zinc/42/86/75/1038428675.db2.gz LEWWAHPVFGXHSO-QGZVFWFLSA-N 1 0 342.446 4.278 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C3(c4ccccc4)CCOCC3)cc2)CC1 ZINC000594924416 1038429497 /nfs/dbraw/zinc/42/94/97/1038429497.db2.gz YFRVEPQYFJHYMK-UHFFFAOYSA-N 1 0 332.447 4.037 20 30 EIEDRO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594940489 1038495346 /nfs/dbraw/zinc/49/53/46/1038495346.db2.gz ZDBSBGAUJMQONE-JOCHJYFZSA-N 1 0 348.490 4.369 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CCCN(c4ccccc4)C3)cc2)CC1 ZINC000594939132 1038499923 /nfs/dbraw/zinc/49/99/23/1038499923.db2.gz PPHQMVNCJLBCRN-FQEVSTJZSA-N 1 0 345.490 4.248 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCOc3ccccc3Cl)cc2)CC1 ZINC000594938795 1038501184 /nfs/dbraw/zinc/50/11/84/1038501184.db2.gz RXYUHGJNMGUEMJ-UHFFFAOYSA-N 1 0 326.827 4.064 20 30 EIEDRO CN1CCC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2ccccc21 ZINC000594952229 1038510775 /nfs/dbraw/zinc/51/07/75/1038510775.db2.gz DSOLTDQNMUEZSV-FQEVSTJZSA-N 1 0 331.463 4.303 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H](CCO)c3ccc(Cl)cc3)cc2)CC1 ZINC000594950120 1038514408 /nfs/dbraw/zinc/51/44/08/1038514408.db2.gz AAYFNGFEUUBELF-LJQANCHMSA-N 1 0 340.854 4.108 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000594950406 1038526036 /nfs/dbraw/zinc/52/60/36/1038526036.db2.gz JXIWULQCNCHOHD-KRWDZBQOSA-N 1 0 346.352 4.466 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000594964962 1038558432 /nfs/dbraw/zinc/55/84/32/1038558432.db2.gz HCTSBUAOIYFNLU-UHFFFAOYSA-N 1 0 334.341 4.482 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000424207777 1038739493 /nfs/dbraw/zinc/73/94/93/1038739493.db2.gz YLZUTMCMCFFVJI-JOYOIKCWSA-N 1 0 347.178 4.250 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000615224311 1038748579 /nfs/dbraw/zinc/74/85/79/1038748579.db2.gz BTLDIJCNEPHABY-LJQANCHMSA-N 1 0 326.827 4.175 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(OC(F)(F)F)cc1 ZINC000424299658 1038774502 /nfs/dbraw/zinc/77/45/02/1038774502.db2.gz VUZOBEOWSRSRJG-IMJJTQAJSA-N 1 0 329.362 4.217 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000424295953 1038774721 /nfs/dbraw/zinc/77/47/21/1038774721.db2.gz NVSSXVCKDDEGSN-XIRDDKMYSA-N 1 0 325.374 4.337 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000424299692 1038774878 /nfs/dbraw/zinc/77/48/78/1038774878.db2.gz VZIAAWCMBYRCOW-MJVIPROJSA-N 1 0 331.790 4.183 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000424295950 1038775237 /nfs/dbraw/zinc/77/52/37/1038775237.db2.gz NVSSXVCKDDEGSN-BHYGNILZSA-N 1 0 325.374 4.337 20 30 EIEDRO CC[C@](C)([NH2+]CCCOc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000173943652 1038795962 /nfs/dbraw/zinc/79/59/62/1038795962.db2.gz BOQBKOSNSOZYJT-SFHVURJKSA-N 1 0 329.469 4.007 20 30 EIEDRO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751142 1038813486 /nfs/dbraw/zinc/81/34/86/1038813486.db2.gz JFGFWAHGXQEVLR-UHFFFAOYSA-N 1 0 345.446 4.441 20 30 EIEDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000539087717 1038817083 /nfs/dbraw/zinc/81/70/83/1038817083.db2.gz KTIJGTZNFDKNNS-CQSZACIVSA-N 1 0 346.377 4.198 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1OC(F)F ZINC000554998157 1038822858 /nfs/dbraw/zinc/82/28/58/1038822858.db2.gz VIRUERNZXDYAQS-SJCJKPOMSA-N 1 0 328.362 4.498 20 30 EIEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424337067 1038827623 /nfs/dbraw/zinc/82/76/23/1038827623.db2.gz YSEFKELOXFSLMG-LDQXTDLNSA-N 1 0 338.426 4.400 20 30 EIEDRO Cc1nc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(Cl)cc1C#N ZINC000461944860 1038829974 /nfs/dbraw/zinc/82/99/74/1038829974.db2.gz CEONEJIXDRXUKT-GDBMZVCRSA-N 1 0 346.906 4.006 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cccc(-n2cccn2)c1 ZINC000174131901 1038847171 /nfs/dbraw/zinc/84/71/71/1038847171.db2.gz CQAYQEBBAMANOG-DLBZAZTESA-N 1 0 346.434 4.014 20 30 EIEDRO CC[C@H](CC#N)[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000462054219 1038886279 /nfs/dbraw/zinc/88/62/79/1038886279.db2.gz AGENGIYPFNNIKA-QGZVFWFLSA-N 1 0 328.406 4.400 20 30 EIEDRO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](CCCCC#N)CC1 ZINC000608832342 1038919717 /nfs/dbraw/zinc/91/97/17/1038919717.db2.gz GDXCUUHFFIBKBU-HXUWFJFHSA-N 1 0 342.483 4.129 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000505056424 1038927052 /nfs/dbraw/zinc/92/70/52/1038927052.db2.gz BHFJSIWHIVNJKE-NHCUHLMSSA-N 1 0 349.478 4.372 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000539296229 1038941788 /nfs/dbraw/zinc/94/17/88/1038941788.db2.gz ZVLIRIOTONZAAL-GDBMZVCRSA-N 1 0 330.497 4.262 20 30 EIEDRO Cc1cccc2c(CC[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)c[nH]c21 ZINC000174447654 1038946394 /nfs/dbraw/zinc/94/63/94/1038946394.db2.gz ZNJJGNQSQRSONK-INIZCTEOSA-N 1 0 333.435 4.100 20 30 EIEDRO CC(C)C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000539297600 1038948153 /nfs/dbraw/zinc/94/81/53/1038948153.db2.gz LTZRZIAMCGLMPJ-HKUYNNGSSA-N 1 0 349.906 4.071 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000424653191 1038996311 /nfs/dbraw/zinc/99/63/11/1038996311.db2.gz SCEHCCOLYDDDRO-UHFFFAOYSA-N 1 0 348.918 4.271 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000539341609 1038998320 /nfs/dbraw/zinc/99/83/20/1038998320.db2.gz BIIHCCZVQAEJAE-INIZCTEOSA-N 1 0 335.838 4.228 20 30 EIEDRO CC[N@H+](Cc1cc(Br)ccc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000555334212 1039065963 /nfs/dbraw/zinc/06/59/63/1039065963.db2.gz PZWVNAQRFQZPPX-SMDDNHRTSA-N 1 0 325.225 4.102 20 30 EIEDRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000537628509 1039067485 /nfs/dbraw/zinc/06/74/85/1039067485.db2.gz LAYKQMLFWANOAY-OAQYLSRUSA-N 1 0 332.451 4.344 20 30 EIEDRO Cc1cc(C)c(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000552048858 1039070220 /nfs/dbraw/zinc/07/02/20/1039070220.db2.gz AOZIFEGEANRFAA-UHFFFAOYSA-N 1 0 347.506 4.285 20 30 EIEDRO C=CCC[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ccco1 ZINC000552063148 1039085078 /nfs/dbraw/zinc/08/50/78/1039085078.db2.gz QGFPXAKIYADPRI-AWEZNQCLSA-N 1 0 340.345 4.369 20 30 EIEDRO C=CCC[C@@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)C1CC1 ZINC000120330526 1039087150 /nfs/dbraw/zinc/08/71/50/1039087150.db2.gz GIOSOHDJUBDNBH-HXUWFJFHSA-N 1 0 334.454 4.264 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2)cc1 ZINC000552088020 1039111156 /nfs/dbraw/zinc/11/11/56/1039111156.db2.gz YXJMPOOVZXKKRG-KRWDZBQOSA-N 1 0 338.451 4.067 20 30 EIEDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000537632670 1039272482 /nfs/dbraw/zinc/27/24/82/1039272482.db2.gz JSBMGIMEGFJXGV-RTWAWAEBSA-N 1 0 344.462 4.283 20 30 EIEDRO Cc1ccc([C@@H](C)C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000600175951 1039341874 /nfs/dbraw/zinc/34/18/74/1039341874.db2.gz KSPWGNBNRPBHOJ-IBGZPJMESA-N 1 0 347.506 4.224 20 30 EIEDRO C=CCC[C@H]([NH2+]CC1(N[C@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000121283215 1039347672 /nfs/dbraw/zinc/34/76/72/1039347672.db2.gz DEKWFRQSWUKSPN-NQIIRXRSSA-N 1 0 342.527 4.221 20 30 EIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC(C)(C)C)sc2C1 ZINC000555549842 1039364444 /nfs/dbraw/zinc/36/44/44/1039364444.db2.gz IJQASRFAPCETOA-CYBMUJFWSA-N 1 0 347.528 4.051 20 30 EIEDRO COc1c(C)cccc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000594515428 1039505392 /nfs/dbraw/zinc/50/53/92/1039505392.db2.gz QBHMOQBICQCPHZ-UHFFFAOYSA-N 1 0 334.341 4.184 20 30 EIEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(C)(C)CCC#N ZINC000092403110 1039539881 /nfs/dbraw/zinc/53/98/81/1039539881.db2.gz NCRCOMJQDJXHCT-UHFFFAOYSA-N 1 0 342.462 4.410 20 30 EIEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093324678 1039662656 /nfs/dbraw/zinc/66/26/56/1039662656.db2.gz LZBWUEKEBBOCQG-KRWDZBQOSA-N 1 0 338.451 4.138 20 30 EIEDRO COc1ccc(Oc2cc(C[NH2+][C@@H](C)CC(C)(C)C#N)ccn2)cc1 ZINC000924705945 1039743670 /nfs/dbraw/zinc/74/36/70/1039743670.db2.gz CUSWYGDKVBYQMI-HNNXBMFYSA-N 1 0 339.439 4.300 20 30 EIEDRO CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425120931 1039757548 /nfs/dbraw/zinc/75/75/48/1039757548.db2.gz BLNGWRDVAPYWEK-QGZVFWFLSA-N 1 0 349.478 4.233 20 30 EIEDRO N#CCC1CCN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)CC1 ZINC000899876825 1039765517 /nfs/dbraw/zinc/76/55/17/1039765517.db2.gz PLSNCNRABMKKRH-UHFFFAOYSA-N 1 0 335.329 4.263 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC2(c3ccccc3)CC2)ccc1OC ZINC000060947076 1039779537 /nfs/dbraw/zinc/77/95/37/1039779537.db2.gz GOAHOGWPGRRTAV-UHFFFAOYSA-N 1 0 337.463 4.472 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2OC)cc1 ZINC000061030088 1039784332 /nfs/dbraw/zinc/78/43/32/1039784332.db2.gz DDRRBLBPQJDUBS-HNNXBMFYSA-N 1 0 327.424 4.119 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1C)Cc1ccccc1F ZINC000434710016 1039818971 /nfs/dbraw/zinc/81/89/71/1039818971.db2.gz YXPVKGLFBSQCDH-UHFFFAOYSA-N 1 0 326.415 4.151 20 30 EIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000434711218 1039820028 /nfs/dbraw/zinc/82/00/28/1039820028.db2.gz MYNSHGGEJORWGS-FQEVSTJZSA-N 1 0 333.435 4.032 20 30 EIEDRO C=CCc1cc(C(=O)Nc2c(C)cc(C)nc2C)cc(OC)c1OC ZINC000097040360 1039861409 /nfs/dbraw/zinc/86/14/09/1039861409.db2.gz IYOWWYDWOYSONK-UHFFFAOYSA-N 1 0 340.423 4.005 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000481920892 1039894992 /nfs/dbraw/zinc/89/49/92/1039894992.db2.gz WCTRIGOCANXTSD-XXBNENTESA-N 1 0 345.490 4.442 20 30 EIEDRO C=CCOc1ccccc1CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000551050071 1039915604 /nfs/dbraw/zinc/91/56/04/1039915604.db2.gz DGPFSUUOJHTRCP-SFTDATJTSA-N 1 0 336.479 4.177 20 30 EIEDRO COc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1OCCCC#N ZINC000434983018 1039959408 /nfs/dbraw/zinc/95/94/08/1039959408.db2.gz OSMCFYWKRIPQBX-LJQANCHMSA-N 1 0 336.435 4.325 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000434986189 1039982840 /nfs/dbraw/zinc/98/28/40/1039982840.db2.gz NDYUBXWLBJBMOL-OAQYLSRUSA-N 1 0 342.446 4.411 20 30 EIEDRO C=C(C)[C@H](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)OCC ZINC000535124550 1039982905 /nfs/dbraw/zinc/98/29/05/1039982905.db2.gz DAOUHLZTZXGPRY-FQEVSTJZSA-N 1 0 344.499 4.025 20 30 EIEDRO C=CCC(C)(C)c1noc([C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000551136085 1039999772 /nfs/dbraw/zinc/99/97/72/1039999772.db2.gz IMOGUPOAJPZLGE-VXGBXAGGSA-N 1 0 345.409 4.300 20 30 EIEDRO C=CCC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000435105382 1040071715 /nfs/dbraw/zinc/07/17/15/1040071715.db2.gz KMAYEHGUWGIYRP-UYAOXDASSA-N 1 0 341.499 4.010 20 30 EIEDRO C=CCC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000435105381 1040072070 /nfs/dbraw/zinc/07/20/70/1040072070.db2.gz KMAYEHGUWGIYRP-QUCCMNQESA-N 1 0 341.499 4.010 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3C[C@@H]([NH+]4CCCC4)C[C@H]3C)c2c1 ZINC000553337777 1040146992 /nfs/dbraw/zinc/14/69/92/1040146992.db2.gz VAXYOVBDNHQFPY-APWZRJJASA-N 1 0 348.494 4.293 20 30 EIEDRO C=C[C@@H](CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000535365048 1040221029 /nfs/dbraw/zinc/22/10/29/1040221029.db2.gz ZWAHHOWGJSUHEO-OALUTQOASA-N 1 0 328.500 4.117 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(C)ccc1C)C(C)C ZINC000503437565 1040248141 /nfs/dbraw/zinc/24/81/41/1040248141.db2.gz MSUJBRHIWKAIAG-LJQANCHMSA-N 1 0 329.488 4.124 20 30 EIEDRO COc1ccc(C[NH2+]CCc2cccc(C)c2)cc1OCCCC#N ZINC000159904716 1040253302 /nfs/dbraw/zinc/25/33/02/1040253302.db2.gz RHCUBVDJPHKELE-UHFFFAOYSA-N 1 0 338.451 4.019 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000482508153 1040307408 /nfs/dbraw/zinc/30/74/08/1040307408.db2.gz LFPMXVQCDXZXPQ-DZGCQCFKSA-N 1 0 343.389 4.423 20 30 EIEDRO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000425368996 1040355516 /nfs/dbraw/zinc/35/55/16/1040355516.db2.gz YVGLPXFMWBGUSL-INIZCTEOSA-N 1 0 336.435 4.325 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000442899010 1040394646 /nfs/dbraw/zinc/39/46/46/1040394646.db2.gz MLUSNJXUEFKKJR-MRXNPFEDSA-N 1 0 346.430 4.180 20 30 EIEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000539494542 1040471709 /nfs/dbraw/zinc/47/17/09/1040471709.db2.gz JMISTLFTTUPHHA-JXFKEZNVSA-N 1 0 337.442 4.325 20 30 EIEDRO Cc1ccc(CNCc2nc(C#N)cs2)c(Oc2ccccc2)c1 ZINC000515096318 1040479324 /nfs/dbraw/zinc/47/93/24/1040479324.db2.gz ICMZMJSNZCSAJJ-UHFFFAOYSA-N 1 0 335.432 4.405 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)cc1 ZINC000539497712 1040488050 /nfs/dbraw/zinc/48/80/50/1040488050.db2.gz RXADZRSCFJJAAL-JAXLGGSGSA-N 1 0 337.511 4.081 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000553770429 1040499470 /nfs/dbraw/zinc/49/94/70/1040499470.db2.gz RWUZKIIARQHILZ-AWEZNQCLSA-N 1 0 326.415 4.334 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CCOc3ccc(F)cc3Cl)CC2)c1 ZINC000551711344 1040527536 /nfs/dbraw/zinc/52/75/36/1040527536.db2.gz SSONIYFWXKLAKT-UHFFFAOYSA-N 1 0 330.790 4.008 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160479585 1040546809 /nfs/dbraw/zinc/54/68/09/1040546809.db2.gz SATFCRQOPXDUAN-SJPCQFCGSA-N 1 0 349.519 4.179 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000435732743 1040587902 /nfs/dbraw/zinc/58/79/02/1040587902.db2.gz RJMIELSMZHGUOM-DOMZBBRYSA-N 1 0 333.781 4.430 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)c1 ZINC000539587405 1040591128 /nfs/dbraw/zinc/59/11/28/1040591128.db2.gz CUKVAKYVIFPXRL-QRWLVFNGSA-N 1 0 329.415 4.256 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)cc(OC)c1O ZINC000435746940 1040601199 /nfs/dbraw/zinc/60/11/99/1040601199.db2.gz CBSGXDYQTZPINE-UAPYVXQJSA-N 1 0 341.426 4.304 20 30 EIEDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000539608610 1040605302 /nfs/dbraw/zinc/60/53/02/1040605302.db2.gz UMNDSYZLWMJPJB-CQSZACIVSA-N 1 0 339.414 4.287 20 30 EIEDRO C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc(C#N)c1 ZINC000539689236 1040700860 /nfs/dbraw/zinc/70/08/60/1040700860.db2.gz NGYUXZLHKGRICK-KSZLIROESA-N 1 0 349.478 4.341 20 30 EIEDRO Cc1cc(C)c(C[NH+]2CCC(CC#N)CC2)c(OCc2ccccc2)n1 ZINC000515393843 1040715015 /nfs/dbraw/zinc/71/50/15/1040715015.db2.gz KULJXYPTELTNEQ-UHFFFAOYSA-N 1 0 349.478 4.403 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667566491 1040723945 /nfs/dbraw/zinc/72/39/45/1040723945.db2.gz HUAXOTBDNPJLHM-OALUTQOASA-N 1 0 341.499 4.049 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2cc(C)nc(C)c2)cc1OC ZINC000623552684 1040772884 /nfs/dbraw/zinc/77/28/84/1040772884.db2.gz QKNUMYJJARWLJG-UHFFFAOYSA-N 1 0 346.858 4.215 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1Cl ZINC000554085511 1040790015 /nfs/dbraw/zinc/79/00/15/1040790015.db2.gz KSROHSMLHVMJRP-TZMCWYRMSA-N 1 0 349.261 4.292 20 30 EIEDRO Cn1cc(C[NH+]2CCC(c3cccc4ccccc43)CC2)cc1C#N ZINC000483255081 1040795888 /nfs/dbraw/zinc/79/58/88/1040795888.db2.gz JQRNPLYKNPGKHS-UHFFFAOYSA-N 1 0 329.447 4.430 20 30 EIEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000483293224 1040801683 /nfs/dbraw/zinc/80/16/83/1040801683.db2.gz IBVSEVPKTYFVJN-FZKQIMNGSA-N 1 0 347.384 4.499 20 30 EIEDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000554113520 1040808589 /nfs/dbraw/zinc/80/85/89/1040808589.db2.gz PYOOJBQARUTLII-MRXNPFEDSA-N 1 0 348.425 4.351 20 30 EIEDRO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1Cl ZINC000539817151 1040812225 /nfs/dbraw/zinc/81/22/25/1040812225.db2.gz BERGQBFFBRBOIN-DOTOQJQBSA-N 1 0 336.907 4.209 20 30 EIEDRO C=CCOc1ccc(CN2CC[C@H](C[N@@H+](C)CCC)C2)cc1Cl ZINC000539821368 1040814844 /nfs/dbraw/zinc/81/48/44/1040814844.db2.gz CDBHFVNYEVCJNQ-QGZVFWFLSA-N 1 0 336.907 4.069 20 30 EIEDRO Cc1cc(C)c(C#N)c(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000515551782 1040851119 /nfs/dbraw/zinc/85/11/19/1040851119.db2.gz SAOJPANFHVWJEC-INIZCTEOSA-N 1 0 348.494 4.414 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+](C)Cc2ccc(OC)cc2)ccc1OC ZINC000505756468 1040871492 /nfs/dbraw/zinc/87/14/92/1040871492.db2.gz LVQUKGXOQVQMLC-UHFFFAOYSA-N 1 0 341.451 4.291 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CCc2cccn2C)cc1Cl ZINC000462734031 1040875922 /nfs/dbraw/zinc/87/59/22/1040875922.db2.gz MHPPSEUYYDODDY-HNNXBMFYSA-N 1 0 332.875 4.354 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436238718 1040988095 /nfs/dbraw/zinc/98/80/95/1040988095.db2.gz GKTXPQSKFKYYDU-UHFFFAOYSA-N 1 0 346.824 4.489 20 30 EIEDRO Cc1ccc([C@H](CNc2c(Cl)cccc2C#N)[NH+]2CCCC2)o1 ZINC000462817152 1040989781 /nfs/dbraw/zinc/98/97/81/1040989781.db2.gz OASNIMKNNVIMKY-INIZCTEOSA-N 1 0 329.831 4.362 20 30 EIEDRO CC[C@@H]([NH2+]C[C@](O)(CC)CCC(F)(F)F)c1cccc(C#N)c1 ZINC000903255932 1040990421 /nfs/dbraw/zinc/99/04/21/1040990421.db2.gz DQIHVZXSEAIBJY-CVEARBPZSA-N 1 0 328.378 4.083 20 30 EIEDRO C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000436280464 1041025568 /nfs/dbraw/zinc/02/55/68/1041025568.db2.gz DTQFNGGYTLGFLM-BEFAXECRSA-N 1 0 329.463 4.145 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000436283058 1041026635 /nfs/dbraw/zinc/02/66/35/1041026635.db2.gz IZKVLAORTMRMGY-LJHODMEESA-N 1 0 333.497 4.193 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000436288906 1041053901 /nfs/dbraw/zinc/05/39/01/1041053901.db2.gz LOIQUDAHPRTODV-ZVZYQTTQSA-N 1 0 328.481 4.442 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000436292614 1041056830 /nfs/dbraw/zinc/05/68/30/1041056830.db2.gz SZGUFPSQTPJWAI-WQGACYEGSA-N 1 0 342.252 4.220 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC000436295805 1041064147 /nfs/dbraw/zinc/06/41/47/1041064147.db2.gz HQBZEAFFWUYAEV-NPKLKCOWSA-N 1 0 329.484 4.292 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000436308462 1041065160 /nfs/dbraw/zinc/06/51/60/1041065160.db2.gz PTOTYIKNOFKBRA-MDKPJZGXSA-N 1 0 344.499 4.098 20 30 EIEDRO Cc1ccc2c(C)cc(N3CCO[C@H](c4cccc(C#N)c4)C3)nc2c1 ZINC000460962612 1041070455 /nfs/dbraw/zinc/07/04/55/1041070455.db2.gz ZMOYKHJXDJGXPC-NRFANRHFSA-N 1 0 343.430 4.301 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000436306407 1041074965 /nfs/dbraw/zinc/07/49/65/1041074965.db2.gz IBIJQGFWTGCZOB-GHJWDPDVSA-N 1 0 342.252 4.220 20 30 EIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000483987404 1041084090 /nfs/dbraw/zinc/08/40/90/1041084090.db2.gz YMSQTNHMLORLMZ-AWEZNQCLSA-N 1 0 344.252 4.160 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000538194307 1041161705 /nfs/dbraw/zinc/16/17/05/1041161705.db2.gz JUGFIPJBRNTNAS-KGLIPLIRSA-N 1 0 346.452 4.159 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000538195251 1041163791 /nfs/dbraw/zinc/16/37/91/1041163791.db2.gz OGMKDFNCWWFLRE-XJKSGUPXSA-N 1 0 346.471 4.101 20 30 EIEDRO COC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000538211415 1041171119 /nfs/dbraw/zinc/17/11/19/1041171119.db2.gz SKELZBXNWDLEBP-SFHVURJKSA-N 1 0 333.353 4.034 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540167474 1041209299 /nfs/dbraw/zinc/20/92/99/1041209299.db2.gz ZMOVNBXJRHPALD-UWVGGRQHSA-N 1 0 346.784 4.092 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc2c(c1)COC2 ZINC000540171415 1041217836 /nfs/dbraw/zinc/21/78/36/1041217836.db2.gz VOWHMMWMYCQLPQ-HNNXBMFYSA-N 1 0 338.476 4.172 20 30 EIEDRO COc1ccccc1[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000540177112 1041221856 /nfs/dbraw/zinc/22/18/56/1041221856.db2.gz XWJDDNKHUCSCJU-OAHLLOKOSA-N 1 0 326.465 4.151 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000538287237 1041222988 /nfs/dbraw/zinc/22/29/88/1041222988.db2.gz WJXYBJJSFUOJTD-IRXDYDNUSA-N 1 0 349.544 4.004 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000538287236 1041223829 /nfs/dbraw/zinc/22/38/29/1041223829.db2.gz WJXYBJJSFUOJTD-IAGOWNOFSA-N 1 0 349.544 4.004 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000538288849 1041224662 /nfs/dbraw/zinc/22/46/62/1041224662.db2.gz QZHAEZIJTPYGAN-KRWDZBQOSA-N 1 0 331.504 4.071 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000538288926 1041225721 /nfs/dbraw/zinc/22/57/21/1041225721.db2.gz ULEIEGLTNAGLCK-QZTJIDSGSA-N 1 0 343.515 4.256 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000484363266 1041226122 /nfs/dbraw/zinc/22/61/22/1041226122.db2.gz ULPRWBWHCIRNEA-HZPDHXFCSA-N 1 0 328.456 4.205 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000540179019 1041239999 /nfs/dbraw/zinc/23/99/99/1041239999.db2.gz RYKFZNFEOZTKKI-CYBMUJFWSA-N 1 0 342.277 4.301 20 30 EIEDRO COc1cccc2cc([C@@H](C)[NH2+]CCOc3ccc(C#N)cc3)oc21 ZINC000538407192 1041303011 /nfs/dbraw/zinc/30/30/11/1041303011.db2.gz NZBHYUJNCILHAG-CQSZACIVSA-N 1 0 336.391 4.043 20 30 EIEDRO COc1cccc2cc([C@H](C)[NH2+]CCOc3ccc(C#N)cc3)oc21 ZINC000538407191 1041303626 /nfs/dbraw/zinc/30/36/26/1041303626.db2.gz NZBHYUJNCILHAG-AWEZNQCLSA-N 1 0 336.391 4.043 20 30 EIEDRO Cc1cc(Br)c(C[NH2+]Cc2ccc(CC#N)cc2)s1 ZINC000516063463 1041374924 /nfs/dbraw/zinc/37/49/24/1041374924.db2.gz VEJWYWMPBXNKBG-UHFFFAOYSA-N 1 0 335.270 4.175 20 30 EIEDRO CCOC(=O)c1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC001142604331 1041413713 /nfs/dbraw/zinc/41/37/13/1041413713.db2.gz YZHISYOHHRWOSO-UHFFFAOYSA-N 1 0 348.446 4.115 20 30 EIEDRO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)ccc1C#N ZINC000463209493 1041421756 /nfs/dbraw/zinc/42/17/56/1041421756.db2.gz JOCNQOBLXKHKMW-JWOSDPRPSA-N 1 0 326.484 4.018 20 30 EIEDRO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)ccc1C#N ZINC000463209492 1041422607 /nfs/dbraw/zinc/42/26/07/1041422607.db2.gz JOCNQOBLXKHKMW-CGRMTHRGSA-N 1 0 326.484 4.018 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000540393128 1041426435 /nfs/dbraw/zinc/42/64/35/1041426435.db2.gz FAHKXWQVMQLEID-KGLIPLIRSA-N 1 0 335.394 4.276 20 30 EIEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2C#N)C1 ZINC000463201565 1041428453 /nfs/dbraw/zinc/42/84/53/1041428453.db2.gz MACQGMYIZCHNAN-DMSXTEQDSA-N 1 0 346.902 4.363 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](C)C3(CCCCC3)C2)CC1 ZINC000463202651 1041430290 /nfs/dbraw/zinc/43/02/90/1041430290.db2.gz MOLLBVXAFFYISV-GOSISDBHSA-N 1 0 347.547 4.029 20 30 EIEDRO CC[C@H](C)[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000540415076 1041441401 /nfs/dbraw/zinc/44/14/01/1041441401.db2.gz KYMAJFAAUWXKHG-GDIGMMSISA-N 1 0 349.906 4.071 20 30 EIEDRO CC[C@H](C)[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000540415079 1041442250 /nfs/dbraw/zinc/44/22/50/1041442250.db2.gz KYMAJFAAUWXKHG-KYNGSXCRSA-N 1 0 349.906 4.071 20 30 EIEDRO N#Cc1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc2ccccc12 ZINC000461445331 1041444988 /nfs/dbraw/zinc/44/49/88/1041444988.db2.gz NIQKDQMBXKXATL-NRFANRHFSA-N 1 0 342.446 4.355 20 30 EIEDRO CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463237182 1041445354 /nfs/dbraw/zinc/44/53/54/1041445354.db2.gz UAXJULMYLVWYOC-FVQBIDKESA-N 1 0 335.289 4.442 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000463240106 1041447977 /nfs/dbraw/zinc/44/79/77/1041447977.db2.gz JDUBTCZCDWAXPK-NLCWTHGUSA-N 1 0 347.453 4.161 20 30 EIEDRO C=C[C@@H]1CCCCN1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000436739895 1041448291 /nfs/dbraw/zinc/44/82/91/1041448291.db2.gz QUZBYWZWZYLNHW-OAHLLOKOSA-N 1 0 330.453 4.065 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000463243230 1041450080 /nfs/dbraw/zinc/45/00/80/1041450080.db2.gz BBENRCKLALYUBM-UXPWSPDFSA-N 1 0 333.435 4.038 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000516185990 1041453460 /nfs/dbraw/zinc/45/34/60/1041453460.db2.gz UDJQSRXGEPPQFR-AWEZNQCLSA-N 1 0 335.407 4.196 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(C)(C)c1ccccc1 ZINC000516186073 1041453908 /nfs/dbraw/zinc/45/39/08/1041453908.db2.gz BLAAQXWBIQHWEW-GOSISDBHSA-N 1 0 347.506 4.483 20 30 EIEDRO C=CCN1CCC([NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000554854437 1041455755 /nfs/dbraw/zinc/45/57/55/1041455755.db2.gz PFZQMOWUOPNDAZ-AWEZNQCLSA-N 1 0 326.406 4.049 20 30 EIEDRO CCCC1CCC([N@H+](C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000484858330 1041470370 /nfs/dbraw/zinc/47/03/70/1041470370.db2.gz DUOVYBHPEULRHG-UHFFFAOYSA-N 1 0 333.501 4.239 20 30 EIEDRO C=CCOc1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1Cl ZINC000554879203 1041476310 /nfs/dbraw/zinc/47/63/10/1041476310.db2.gz MXNXPDODHPKRJB-UHFFFAOYSA-N 1 0 328.843 4.464 20 30 EIEDRO C#CCCCCCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000904433658 1041479268 /nfs/dbraw/zinc/47/92/68/1041479268.db2.gz VGOOHRFUSQERRX-UHFFFAOYSA-N 1 0 337.467 4.459 20 30 EIEDRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463294187 1041480447 /nfs/dbraw/zinc/48/04/47/1041480447.db2.gz CBDLKLIKZMYWMO-MGPQQGTHSA-N 1 0 326.362 4.145 20 30 EIEDRO C[C@H]1CSCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000538732228 1041503913 /nfs/dbraw/zinc/50/39/13/1041503913.db2.gz VVAWPFGPSNAZKX-INIZCTEOSA-N 1 0 338.476 4.075 20 30 EIEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000538751762 1041528544 /nfs/dbraw/zinc/52/85/44/1041528544.db2.gz LYHDWGVWTNYDIM-HXUWFJFHSA-N 1 0 337.463 4.290 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1-n1cccn1 ZINC000516352780 1041542665 /nfs/dbraw/zinc/54/26/65/1041542665.db2.gz DNNZTOZVRUQPIO-QRWLVFNGSA-N 1 0 328.419 4.082 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000128069486 1041592452 /nfs/dbraw/zinc/59/24/52/1041592452.db2.gz CASSGTIBMHTPSY-DLBZAZTESA-N 1 0 335.451 4.243 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@@H](C)C1 ZINC000437097190 1041642864 /nfs/dbraw/zinc/64/28/64/1041642864.db2.gz NOQMSQPYEUCMOW-NWAGQXKTSA-N 1 0 327.472 4.058 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000437084857 1041648047 /nfs/dbraw/zinc/64/80/47/1041648047.db2.gz DBAPDLDGYBYZLG-XVAXZDLZSA-N 1 0 347.462 4.384 20 30 EIEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@H]1C ZINC000437101917 1041660079 /nfs/dbraw/zinc/66/00/79/1041660079.db2.gz FETSBIGGJAQYSE-CTFRIIQPSA-N 1 0 327.472 4.058 20 30 EIEDRO CC1(C)CCC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437103421 1041661015 /nfs/dbraw/zinc/66/10/15/1041661015.db2.gz JXJYOSNHVZRBKJ-LXPRWKDFSA-N 1 0 327.472 4.202 20 30 EIEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C[C@@H]1C ZINC000463743963 1041733296 /nfs/dbraw/zinc/73/32/96/1041733296.db2.gz JCZOGDYVNMBVBM-CNCYXEHGSA-N 1 0 327.472 4.058 20 30 EIEDRO CCCC[C@@H](CC)CN1CCO[C@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001280183635 1041777724 /nfs/dbraw/zinc/77/77/24/1041777724.db2.gz ADTBZSDUBKGULW-RTWAWAEBSA-N 1 0 349.563 4.063 20 30 EIEDRO N#CCC1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000541024620 1041779730 /nfs/dbraw/zinc/77/97/30/1041779730.db2.gz PCEFZTOAJURGRH-UHFFFAOYSA-N 1 0 326.362 4.100 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(OC(F)F)c1 ZINC000437407630 1041791142 /nfs/dbraw/zinc/79/11/42/1041791142.db2.gz HLJMPPHSOQNADW-QGZVFWFLSA-N 1 0 328.362 4.497 20 30 EIEDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000437639657 1041868617 /nfs/dbraw/zinc/86/86/17/1041868617.db2.gz JOLBEYBWACJKAM-SFHVURJKSA-N 1 0 348.368 4.112 20 30 EIEDRO N#CCc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000541328106 1041893823 /nfs/dbraw/zinc/89/38/23/1041893823.db2.gz XYSYIEBLUAEJBG-LJQANCHMSA-N 1 0 326.827 4.059 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1OC ZINC000414916557 1041947591 /nfs/dbraw/zinc/94/75/91/1041947591.db2.gz OTVWIUAPIMHDAP-LJQANCHMSA-N 1 0 338.451 4.009 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](CCCOCc3ccccc3)CC2)cc1 ZINC000541583668 1042021643 /nfs/dbraw/zinc/02/16/43/1042021643.db2.gz WDMHMCOPUDJMJS-UHFFFAOYSA-N 1 0 332.447 4.254 20 30 EIEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000517519708 1042059349 /nfs/dbraw/zinc/05/93/49/1042059349.db2.gz LLWLPKWXDFDHNZ-HXUWFJFHSA-N 1 0 349.434 4.163 20 30 EIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000517534510 1042068934 /nfs/dbraw/zinc/06/89/34/1042068934.db2.gz WDZQLWCRSIRUOA-CQSZACIVSA-N 1 0 343.268 4.432 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000464645797 1042095156 /nfs/dbraw/zinc/09/51/56/1042095156.db2.gz FQNUKTJUGIKFCU-SFHVURJKSA-N 1 0 328.500 4.137 20 30 EIEDRO Cc1ccc(CC[N@@H+](Cc2ccccc2C#N)C[C@H]2CCCO2)cc1 ZINC000464769592 1042149121 /nfs/dbraw/zinc/14/91/21/1042149121.db2.gz CUCJCOWLOUUJRZ-JOCHJYFZSA-N 1 0 334.463 4.090 20 30 EIEDRO Cc1cnn(CCCCC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000464810874 1042173532 /nfs/dbraw/zinc/17/35/32/1042173532.db2.gz GSFRGPPJWCYUEH-RTWAWAEBSA-N 1 0 336.483 4.134 20 30 EIEDRO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438478159 1042200393 /nfs/dbraw/zinc/20/03/93/1042200393.db2.gz VNKNLDTVXCMGLH-XMZVIZOASA-N 1 0 327.472 4.059 20 30 EIEDRO C=C(C)COCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426033505 1042212041 /nfs/dbraw/zinc/21/20/41/1042212041.db2.gz CHZAWYGHLLYBGW-LJQANCHMSA-N 1 0 330.859 4.201 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cnnn1Cc1ccccc1)c1ccccc1 ZINC000491331506 1042231053 /nfs/dbraw/zinc/23/10/53/1042231053.db2.gz DBIQXGNTKJYUOY-OAQYLSRUSA-N 1 0 332.451 4.124 20 30 EIEDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517878923 1042246188 /nfs/dbraw/zinc/24/61/88/1042246188.db2.gz GQFYVDYYQPYYTG-FQEVSTJZSA-N 1 0 349.434 4.163 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)Cc1ccccc1F ZINC000438834095 1042375437 /nfs/dbraw/zinc/37/54/37/1042375437.db2.gz RCXXXQRLWVBPCX-UHFFFAOYSA-N 1 0 344.405 4.290 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000439010341 1042459249 /nfs/dbraw/zinc/45/92/49/1042459249.db2.gz NFSMVIFGPASCBZ-NRSPTQNISA-N 1 0 340.511 4.393 20 30 EIEDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000506469043 1042473009 /nfs/dbraw/zinc/47/30/09/1042473009.db2.gz GTXLRVAMHGPGHT-IBGZPJMESA-N 1 0 334.463 4.474 20 30 EIEDRO CC(C)[C@@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000030149046 1042492244 /nfs/dbraw/zinc/49/22/44/1042492244.db2.gz ODYYHMWWQJWAKH-CQSZACIVSA-N 1 0 347.528 4.194 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccn2)c1)C1CC1 ZINC000439083370 1042493056 /nfs/dbraw/zinc/49/30/56/1042493056.db2.gz CGLKUFWYKLVDIT-IBGZPJMESA-N 1 0 335.451 4.168 20 30 EIEDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000030270598 1042499599 /nfs/dbraw/zinc/49/95/99/1042499599.db2.gz NOLXJZJQILDXAV-CQSZACIVSA-N 1 0 344.503 4.151 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271906960 1042505003 /nfs/dbraw/zinc/50/50/03/1042505003.db2.gz CKNAKYIPJPOKNG-INIZCTEOSA-N 1 0 337.442 4.013 20 30 EIEDRO C=CCSCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000439142597 1042517611 /nfs/dbraw/zinc/51/76/11/1042517611.db2.gz RCDZHRKGWGSRMR-CYBMUJFWSA-N 1 0 332.332 4.471 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(F)c3cccnc23)c1 ZINC000151984327 1042572286 /nfs/dbraw/zinc/57/22/86/1042572286.db2.gz ZEZJUMHVJMWWRP-KRWDZBQOSA-N 1 0 349.409 4.345 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000296617352 1042603598 /nfs/dbraw/zinc/60/35/98/1042603598.db2.gz WQXWHHSCLFPWDL-PKWAYOAASA-N 1 0 337.236 4.247 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1OC ZINC000439443812 1042627201 /nfs/dbraw/zinc/62/72/01/1042627201.db2.gz WSGHXLHSTCPCOJ-CYBMUJFWSA-N 1 0 344.842 4.470 20 30 EIEDRO N#Cc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000439461637 1042646909 /nfs/dbraw/zinc/64/69/09/1042646909.db2.gz LOBPSBNTYRECPH-UYAOXDASSA-N 1 0 335.838 4.483 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000518769230 1042683744 /nfs/dbraw/zinc/68/37/44/1042683744.db2.gz HWTBLPJOXDAWCY-RXVVDRJESA-N 1 0 338.426 4.149 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)ccc1C#N ZINC000443955144 1042693729 /nfs/dbraw/zinc/69/37/29/1042693729.db2.gz CCUPTDAWYZXHJF-GOSISDBHSA-N 1 0 341.252 4.406 20 30 EIEDRO CCOc1cc(C[N@H+](C)CCCC(C)(C)C#N)ccc1OC(F)F ZINC000174818759 1042714946 /nfs/dbraw/zinc/71/49/46/1042714946.db2.gz NAZCZEFJLAWRKI-UHFFFAOYSA-N 1 0 340.414 4.448 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+](CC)[C@H]2CCOC(C)(C)C2)ccc1OC ZINC000518848484 1042716168 /nfs/dbraw/zinc/71/61/68/1042716168.db2.gz IOPCGWFMSKCCKM-SFHVURJKSA-N 1 0 347.499 4.430 20 30 EIEDRO CC(C)(C#N)CCC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000174857785 1042716532 /nfs/dbraw/zinc/71/65/32/1042716532.db2.gz NMKDMIAENDPXFZ-UHFFFAOYSA-N 1 0 325.500 4.091 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)ccc1C#N ZINC000443975573 1042716816 /nfs/dbraw/zinc/71/68/16/1042716816.db2.gz AGTNSKRSTDJUBB-UHFFFAOYSA-N 1 0 347.393 4.483 20 30 EIEDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443977737 1042719076 /nfs/dbraw/zinc/71/90/76/1042719076.db2.gz HXNGYVBGEAVGPS-HNNXBMFYSA-N 1 0 340.492 4.393 20 30 EIEDRO Cc1cc(C[NH2+]C2CCN([C@H](C)c3ccccc3)CC2)ccc1C#N ZINC000443996976 1042740783 /nfs/dbraw/zinc/74/07/83/1042740783.db2.gz PTENJQWDGVXKQD-GOSISDBHSA-N 1 0 333.479 4.182 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2cccc(COCc3ccco3)c2)c1 ZINC000030913276 1042741698 /nfs/dbraw/zinc/74/16/98/1042741698.db2.gz VVDYKROUAAGEIM-UHFFFAOYSA-N 1 0 332.403 4.158 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000518977730 1042779337 /nfs/dbraw/zinc/77/93/37/1042779337.db2.gz AQCOEWFUQLFEIW-UHFFFAOYSA-N 1 0 342.389 4.316 20 30 EIEDRO CC(C)C[C@H](CNC(=O)c1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000518985752 1042781454 /nfs/dbraw/zinc/78/14/54/1042781454.db2.gz WTIXHXOTRGYQRH-LAUBAEHRSA-N 1 0 349.478 4.054 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC(c3ccnc4ccccc43)CC2)c1 ZINC000518995977 1042783047 /nfs/dbraw/zinc/78/30/47/1042783047.db2.gz PQGIBUCEIRNHHZ-UHFFFAOYSA-N 1 0 327.431 4.486 20 30 EIEDRO CC(C)(C#N)CCCN1CC[N@H+](CCCC(C)(C)C#N)CC1(C)C ZINC000176268346 1042803616 /nfs/dbraw/zinc/80/36/16/1042803616.db2.gz SVRABMFYVHDKKF-UHFFFAOYSA-N 1 0 332.536 4.043 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000189897900 1042816202 /nfs/dbraw/zinc/81/62/02/1042816202.db2.gz IISSRSYXMKCQTF-PZJWPPBQSA-N 1 0 340.511 4.071 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@H]3CCc4cc(F)ccc4C3)CC2)cc1 ZINC001168447582 1042818226 /nfs/dbraw/zinc/81/82/26/1042818226.db2.gz XZYFSIDMVJRWSW-QFIPXVFZSA-N 1 0 334.438 4.434 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000322985577 1042839344 /nfs/dbraw/zinc/83/93/44/1042839344.db2.gz XFZPTLQBVRVUMU-QRQLOZEOSA-N 1 0 332.875 4.117 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)C(c2ccccc2)c2ccccc2)CC1 ZINC000177910236 1042853999 /nfs/dbraw/zinc/85/39/99/1042853999.db2.gz JSYQZAHPGWEEER-IBGZPJMESA-N 1 0 334.507 4.447 20 30 EIEDRO C[C@@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000311384584 1042858945 /nfs/dbraw/zinc/85/89/45/1042858945.db2.gz WGXXYCBVARLARB-WIYYLYMNSA-N 1 0 349.478 4.444 20 30 EIEDRO C=CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000441582849 1042895495 /nfs/dbraw/zinc/89/54/95/1042895495.db2.gz ZHJQUPGCLXKOBS-INIZCTEOSA-N 1 0 342.405 4.169 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441656893 1042962386 /nfs/dbraw/zinc/96/23/86/1042962386.db2.gz IAHNFPIJEUENME-RTWAWAEBSA-N 1 0 332.447 4.084 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182852995 1043034706 /nfs/dbraw/zinc/03/47/06/1043034706.db2.gz VZFLAUAVHNOAGJ-ZWKOTPCHSA-N 1 0 335.536 4.027 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182853016 1043034787 /nfs/dbraw/zinc/03/47/87/1043034787.db2.gz VZFLAUAVHNOAGJ-QZTJIDSGSA-N 1 0 335.536 4.027 20 30 EIEDRO N#CCN1CCC([NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000611519350 1043047195 /nfs/dbraw/zinc/04/71/95/1043047195.db2.gz YVMABYGXWLRVCC-FQEVSTJZSA-N 1 0 339.870 4.007 20 30 EIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000075644232 1043071097 /nfs/dbraw/zinc/07/10/97/1043071097.db2.gz CMTDQNBWDNVMKA-IBGZPJMESA-N 1 0 344.418 4.254 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc2ccccc21 ZINC000008269612 1043080252 /nfs/dbraw/zinc/08/02/52/1043080252.db2.gz IVWKYNDHZLXYSL-CYBMUJFWSA-N 1 0 335.432 4.062 20 30 EIEDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599550 1043118566 /nfs/dbraw/zinc/11/85/66/1043118566.db2.gz LVVNPXFEUPQXQO-OLZOCXBDSA-N 1 0 333.863 4.049 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(C(F)F)cc2)cc(OC)c1O ZINC000185184611 1043162295 /nfs/dbraw/zinc/16/22/95/1043162295.db2.gz NEJLBHPXURLMLO-UHFFFAOYSA-N 1 0 333.378 4.357 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C(C)(C)c1cccs1 ZINC000543506421 1043172734 /nfs/dbraw/zinc/17/27/34/1043172734.db2.gz RRNLKUVGWPWSSM-AWEZNQCLSA-N 1 0 348.537 4.238 20 30 EIEDRO Cc1ccc(N=NC2CC[NH+](Cc3ccccc3Cl)CC2)nc1 ZINC000727259935 1043176414 /nfs/dbraw/zinc/17/64/14/1043176414.db2.gz OXUFMROXXJLVKT-UHFFFAOYSA-N 1 0 328.847 4.107 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000282474898 1043201365 /nfs/dbraw/zinc/20/13/65/1043201365.db2.gz UYAKXWWPKQOAQY-UHFFFAOYSA-N 1 0 325.225 4.008 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000282487645 1043241833 /nfs/dbraw/zinc/24/18/33/1043241833.db2.gz XHNIIMCAOKPEFY-AKSNENBUSA-N 1 0 341.455 4.226 20 30 EIEDRO Cc1nc2ccccc2nc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000058397211 1043252950 /nfs/dbraw/zinc/25/29/50/1043252950.db2.gz XGHACMCMMXDSCG-UHFFFAOYSA-N 1 0 330.435 4.221 20 30 EIEDRO CC(C)(C[NH2+]Cc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000508046770 1043253869 /nfs/dbraw/zinc/25/38/69/1043253869.db2.gz LWAQAABSBWHKFO-UHFFFAOYSA-N 1 0 343.268 4.388 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000733902300 1043364521 /nfs/dbraw/zinc/36/45/21/1043364521.db2.gz PFRWHVRGOPGWPQ-KDOFPFPSSA-N 1 0 330.432 4.037 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=S)Nc2ccc(CCCC)cc2)CC1 ZINC000729941765 1043409165 /nfs/dbraw/zinc/40/91/65/1043409165.db2.gz BRKZWKOSQLFMSC-UHFFFAOYSA-N 1 0 345.556 4.356 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)ccc1OC ZINC000520906144 1043432494 /nfs/dbraw/zinc/43/24/94/1043432494.db2.gz HSPSZLBYRZRPMH-CQSZACIVSA-N 1 0 325.399 4.127 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(F)ccc2OC)cc1Cl ZINC000494395775 1043461735 /nfs/dbraw/zinc/46/17/35/1043461735.db2.gz VRPZFJQIPUALEN-UHFFFAOYSA-N 1 0 335.806 4.342 20 30 EIEDRO CC(C)N(CCC[NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000700566424 1043506466 /nfs/dbraw/zinc/50/64/66/1043506466.db2.gz BHILLCNXSFUWQF-MRXNPFEDSA-N 1 0 345.487 4.244 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494483041 1043512074 /nfs/dbraw/zinc/51/20/74/1043512074.db2.gz HIUYTBRUINATDR-ZWKOTPCHSA-N 1 0 347.245 4.485 20 30 EIEDRO Clc1ccc([C@H]2OCC[C@@H]2[NH2+]CC#Cc2ccccc2Cl)cc1 ZINC000494495359 1043519670 /nfs/dbraw/zinc/51/96/70/1043519670.db2.gz NQOBBZVYJPLMHM-RBUKOAKNSA-N 1 0 346.257 4.465 20 30 EIEDRO COc1cc(C)cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000494517414 1043539541 /nfs/dbraw/zinc/53/95/41/1043539541.db2.gz YXHIGOJNXPYXSG-UHFFFAOYSA-N 1 0 349.478 4.260 20 30 EIEDRO Cc1cc(F)ccc1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000521173094 1043610401 /nfs/dbraw/zinc/61/04/01/1043610401.db2.gz QNROUSIMYPSQOR-UHFFFAOYSA-N 1 0 338.426 4.486 20 30 EIEDRO COc1ccc2[nH]cc(C3CC[NH+](Cc4cccc(C#N)c4)CC3)c2c1 ZINC000142113342 1043710859 /nfs/dbraw/zinc/71/08/59/1043710859.db2.gz OWIRDCGZMXRHNL-UHFFFAOYSA-N 1 0 345.446 4.428 20 30 EIEDRO CC(C)C[N@H+](CCc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC000731211891 1043716302 /nfs/dbraw/zinc/71/63/02/1043716302.db2.gz HBMGLKYGOVLZKV-UHFFFAOYSA-N 1 0 340.442 4.429 20 30 EIEDRO C[C@H]1CC(NC2(C#N)CCCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168014080 1043730479 /nfs/dbraw/zinc/73/04/79/1043730479.db2.gz JMRKXXWYEXVNCF-ROUUACIJSA-N 1 0 325.500 4.244 20 30 EIEDRO [NH2+]=C(N[C@@H]1Cc2cccc(Cl)c2C1)c1ccc2cc(O)ccc2c1 ZINC001168703372 1043792952 /nfs/dbraw/zinc/79/29/52/1043792952.db2.gz FARRYXKAKOXYCH-MRXNPFEDSA-N 1 0 336.822 4.072 20 30 EIEDRO CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000078878160 1043804719 /nfs/dbraw/zinc/80/47/19/1043804719.db2.gz CYYSJHIPCYZAFJ-ZDUSSCGKSA-N 1 0 344.842 4.470 20 30 EIEDRO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000442719566 1043822202 /nfs/dbraw/zinc/82/22/02/1043822202.db2.gz QISCUCKPEFRQBE-DOTOQJQBSA-N 1 0 337.423 4.054 20 30 EIEDRO CC(C)Oc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442792467 1043841538 /nfs/dbraw/zinc/84/15/38/1043841538.db2.gz QDBCFJDMKPRESS-OCCSQVGLSA-N 1 0 326.362 4.274 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)C1 ZINC000442827948 1043850504 /nfs/dbraw/zinc/85/05/04/1043850504.db2.gz QKYNQNKRCVZSIF-HHXXYDBFSA-N 1 0 325.843 4.301 20 30 EIEDRO COc1cc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)ccc1C#N ZINC000442809574 1043851860 /nfs/dbraw/zinc/85/18/60/1043851860.db2.gz LFCBJLAKGBWSSV-UHFFFAOYSA-N 1 0 345.446 4.428 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000521595661 1043853880 /nfs/dbraw/zinc/85/38/80/1043853880.db2.gz BYSGIOSKGYGEOF-GXTWGEPZSA-N 1 0 334.460 4.093 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000494621586 1043855248 /nfs/dbraw/zinc/85/52/48/1043855248.db2.gz PWZNIBBFSWMHGS-BHIFYINESA-N 1 0 344.458 4.272 20 30 EIEDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(C#N)CC1 ZINC000442861869 1043866440 /nfs/dbraw/zinc/86/64/40/1043866440.db2.gz ZBKRBNVLSSTMPM-GPANFISMSA-N 1 0 347.484 4.385 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000442865105 1043867120 /nfs/dbraw/zinc/86/71/20/1043867120.db2.gz HNQPOJPQOARLLK-WTNGLUPJSA-N 1 0 347.300 4.226 20 30 EIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1CCC(C#N)CC1 ZINC000442871310 1043871726 /nfs/dbraw/zinc/87/17/26/1043871726.db2.gz FKKZAXGPASHSIA-IUDNXUCKSA-N 1 0 335.289 4.300 20 30 EIEDRO COC[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000442872636 1043871995 /nfs/dbraw/zinc/87/19/95/1043871995.db2.gz IJGQAYXBULWQBW-KVULBXGLSA-N 1 0 340.389 4.312 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000442891756 1043885819 /nfs/dbraw/zinc/88/58/19/1043885819.db2.gz CWYUNKRBQPTASX-HNNXBMFYSA-N 1 0 338.476 4.245 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000732989077 1044063366 /nfs/dbraw/zinc/06/33/66/1044063366.db2.gz NXUGLFUIYQGYGD-FQEVSTJZSA-N 1 0 342.389 4.442 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C#N)cc1 ZINC000173856670 1044183899 /nfs/dbraw/zinc/18/38/99/1044183899.db2.gz ILJLLHSOIXWFBM-OAHLLOKOSA-N 1 0 345.402 4.254 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466278839 1044197033 /nfs/dbraw/zinc/19/70/33/1044197033.db2.gz YXWGKWQTGYFJKP-BJLQDIEVSA-N 1 0 328.500 4.006 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)C1CCOCC1 ZINC000766112220 1044206692 /nfs/dbraw/zinc/20/66/92/1044206692.db2.gz HYOWZDXYGDEKLC-AWEZNQCLSA-N 1 0 326.465 4.191 20 30 EIEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000766114413 1044210426 /nfs/dbraw/zinc/21/04/26/1044210426.db2.gz UUEADAIZHNYEIW-GOEBONIOSA-N 1 0 326.465 4.191 20 30 EIEDRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174104128 1044220135 /nfs/dbraw/zinc/22/01/35/1044220135.db2.gz GTLPRCMKKQVHHK-QZTJIDSGSA-N 1 0 333.479 4.434 20 30 EIEDRO CSC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000430748154 1044280124 /nfs/dbraw/zinc/28/01/24/1044280124.db2.gz CEWJXQUUXCALJG-CQSZACIVSA-N 1 0 328.403 4.393 20 30 EIEDRO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)Oc1cccc(F)c1 ZINC000174581038 1044293344 /nfs/dbraw/zinc/29/33/44/1044293344.db2.gz QUBOXAKCVRTEGC-MRXNPFEDSA-N 1 0 342.414 4.065 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000733745802 1044297814 /nfs/dbraw/zinc/29/78/14/1044297814.db2.gz VBIVHZGBPFELME-RHSMWYFYSA-N 1 0 330.432 4.037 20 30 EIEDRO CC[N@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CC1 ZINC000116877170 1044312013 /nfs/dbraw/zinc/31/20/13/1044312013.db2.gz XYYZFZAKQOGSMK-UHFFFAOYSA-N 1 0 336.435 4.130 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(OC)cc2Cl)c1 ZINC000733800236 1044316705 /nfs/dbraw/zinc/31/67/05/1044316705.db2.gz JAGVDQPQRHJMOF-INIZCTEOSA-N 1 0 344.842 4.319 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000069067396 1044378679 /nfs/dbraw/zinc/37/86/79/1044378679.db2.gz UTBZYOLIXRUSHU-UHFFFAOYSA-N 1 0 347.462 4.367 20 30 EIEDRO CSc1ccc([C@H](CNc2ncc(C#N)cc2Cl)[NH+](C)C)cc1 ZINC000338839288 1044392746 /nfs/dbraw/zinc/39/27/46/1044392746.db2.gz YHAPHFVSLDBRKZ-INIZCTEOSA-N 1 0 346.887 4.043 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000466406842 1044397987 /nfs/dbraw/zinc/39/79/87/1044397987.db2.gz ZGELOGMPYYAAAK-ZDUSSCGKSA-N 1 0 342.277 4.301 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2C[C@H](c3ccccc3C)C2)cc(OC)c1O ZINC000466408142 1044409321 /nfs/dbraw/zinc/40/93/21/1044409321.db2.gz RZXLLPRDURFZAJ-WGSAOQKQSA-N 1 0 337.463 4.474 20 30 EIEDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)OC(C)C ZINC000185014342 1044413321 /nfs/dbraw/zinc/41/33/21/1044413321.db2.gz VZRCVCHUJJRBMK-HRAATJIYSA-N 1 0 338.451 4.384 20 30 EIEDRO N#Cc1cccc([C@H]2C[N@H+](CCc3ccc4ccccc4c3)CCO2)c1 ZINC000761756958 1044441716 /nfs/dbraw/zinc/44/17/16/1044441716.db2.gz DRVXFYPEBIVVPC-HSZRJFAPSA-N 1 0 342.442 4.327 20 30 EIEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@@]4(CC=CCC4)C3)n2)cc1 ZINC000733992743 1044449859 /nfs/dbraw/zinc/44/98/59/1044449859.db2.gz UHQWNIHNDRWKGS-NRFANRHFSA-N 1 0 332.451 4.202 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)N(CCCC)[C@@H](CC)c2ccccc2)CC1 ZINC000734106019 1044486238 /nfs/dbraw/zinc/48/62/38/1044486238.db2.gz LFGQUTOBUTZZOD-NRFANRHFSA-N 1 0 340.511 4.112 20 30 EIEDRO C=C(C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccccc1 ZINC000675782483 1044496723 /nfs/dbraw/zinc/49/67/23/1044496723.db2.gz UNQUICSZYRLKRL-HNNXBMFYSA-N 1 0 338.842 4.285 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000543394998 1044501866 /nfs/dbraw/zinc/50/18/66/1044501866.db2.gz TUGUAEORTHCEDI-UXHICEINSA-N 1 0 348.475 4.206 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2C)C(C)C)cc1 ZINC001168722552 1044515491 /nfs/dbraw/zinc/51/54/91/1044515491.db2.gz FTIHORZMKQNBBJ-QFIPXVFZSA-N 1 0 334.463 4.292 20 30 EIEDRO C[C@H]1CC(N=Nc2cnc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000734295620 1044526466 /nfs/dbraw/zinc/52/64/66/1044526466.db2.gz FQRPQJRHOIYIJD-INIZCTEOSA-N 1 0 345.450 4.082 20 30 EIEDRO C=CCOCC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000675925142 1044567444 /nfs/dbraw/zinc/56/74/44/1044567444.db2.gz NVMJWMNWNRIIBV-INIZCTEOSA-N 1 0 349.272 4.100 20 30 EIEDRO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)C1CCCCC1 ZINC000542531286 1044575181 /nfs/dbraw/zinc/57/51/81/1044575181.db2.gz LKZQAXKJHVNFGB-LSDHHAIUSA-N 1 0 338.455 4.303 20 30 EIEDRO C=C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000675934132 1044578413 /nfs/dbraw/zinc/57/84/13/1044578413.db2.gz JDBLGUSJZHKPDL-NXEZZACHSA-N 1 0 334.769 4.240 20 30 EIEDRO C=CCC[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000495014618 1044594308 /nfs/dbraw/zinc/59/43/08/1044594308.db2.gz DINHUKFWBYSWEF-NRFANRHFSA-N 1 0 342.527 4.365 20 30 EIEDRO COc1cccc(O)c1/C=N/C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000734749695 1044661733 /nfs/dbraw/zinc/66/17/33/1044661733.db2.gz LXMKJWIXYJUNLU-QFNCUCFLSA-N 1 0 338.451 4.045 20 30 EIEDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000118455439 1044672453 /nfs/dbraw/zinc/67/24/53/1044672453.db2.gz COTMCSZMXKZGDX-AZUAARDMSA-N 1 0 344.499 4.300 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)c1ccccc1 ZINC000543472147 1044674526 /nfs/dbraw/zinc/67/45/26/1044674526.db2.gz BOXPEZIEZDFIHZ-ZIAGYGMSSA-N 1 0 330.378 4.441 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000118532756 1044679490 /nfs/dbraw/zinc/67/94/90/1044679490.db2.gz BXFICCDEXYYJSG-AZUAARDMSA-N 1 0 325.500 4.063 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCC(C)C)C(C)(C)C)CC1 ZINC000522400686 1044707181 /nfs/dbraw/zinc/70/71/81/1044707181.db2.gz GCHQTTVCAUJIQN-SFHVURJKSA-N 1 0 337.552 4.177 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1coc2ccccc21 ZINC000826785409 1044805171 /nfs/dbraw/zinc/80/51/71/1044805171.db2.gz VLYOZHCCELPILY-HNNXBMFYSA-N 1 0 346.434 4.019 20 30 EIEDRO C[C@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000124063575 1044821201 /nfs/dbraw/zinc/82/12/01/1044821201.db2.gz NFNZIEQYHMRTMZ-WMZOPIPTSA-N 1 0 339.508 4.105 20 30 EIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000922600004 1044837343 /nfs/dbraw/zinc/83/73/43/1044837343.db2.gz LJPZWLZKHAAPEG-UHFFFAOYSA-N 1 0 339.386 4.144 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]C1CCC(C#N)CC1)CCCC2 ZINC000895657034 1044839901 /nfs/dbraw/zinc/83/99/01/1044839901.db2.gz ZVYHEKGSBBTZLB-PVARCSIZSA-N 1 0 328.456 4.143 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\CCOC2CCCCCC2)c(O)c1 ZINC000735618921 1044843236 /nfs/dbraw/zinc/84/32/36/1044843236.db2.gz HHDSXCVBIBMIPB-PGMHBOJBSA-N 1 0 332.488 4.397 20 30 EIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000922603962 1044844242 /nfs/dbraw/zinc/84/42/42/1044844242.db2.gz PYQQEHOYIIHXJK-UHFFFAOYSA-N 1 0 348.475 4.188 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000922691371 1044888249 /nfs/dbraw/zinc/88/82/49/1044888249.db2.gz ISFTUFHBHRSHCZ-HOTGVXAUSA-N 1 0 340.389 4.077 20 30 EIEDRO C=CCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000543600162 1044890618 /nfs/dbraw/zinc/89/06/18/1044890618.db2.gz MQLGOFRFCJFUCK-RXVVDRJESA-N 1 0 336.479 4.205 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000466654050 1044897094 /nfs/dbraw/zinc/89/70/94/1044897094.db2.gz FUVDFUIHLHHPIW-QGZVFWFLSA-N 1 0 330.472 4.092 20 30 EIEDRO N#Cc1ccc(OCCC[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC000736310980 1044923776 /nfs/dbraw/zinc/92/37/76/1044923776.db2.gz APDHOJDOKQVYSB-UHFFFAOYSA-N 1 0 338.426 4.346 20 30 EIEDRO CSC[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000429315372 1044933405 /nfs/dbraw/zinc/93/34/05/1044933405.db2.gz ZRPGFSAKTHJUBO-OAHLLOKOSA-N 1 0 327.415 4.132 20 30 EIEDRO N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000125174499 1044956061 /nfs/dbraw/zinc/95/60/61/1044956061.db2.gz RFBHISLOADKQGW-OAHLLOKOSA-N 1 0 337.389 4.032 20 30 EIEDRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCCC(C)(C)C#N ZINC000429007571 1045002810 /nfs/dbraw/zinc/00/28/10/1045002810.db2.gz VSSYPAUXMJULSB-CQSZACIVSA-N 1 0 337.870 4.320 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NCc3cc(C#N)cs3)cc2)C1 ZINC000156108148 1045003622 /nfs/dbraw/zinc/00/36/22/1045003622.db2.gz QTAZWJWDIBWAFG-HNNXBMFYSA-N 1 0 325.481 4.464 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NCc3ccc(C#N)s3)cc2)C1 ZINC000156105644 1045004991 /nfs/dbraw/zinc/00/49/91/1045004991.db2.gz ULMWWDLROJLWLN-OAHLLOKOSA-N 1 0 325.481 4.464 20 30 EIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000474479319 1045020582 /nfs/dbraw/zinc/02/05/82/1045020582.db2.gz NWTSXJNSNUJNDQ-OAGGEKHMSA-N 1 0 338.451 4.418 20 30 EIEDRO C=CCC1([NH2+]CC[C@@H]2Sc3ccccc3NC2=O)CCCCC1 ZINC000625934355 1045039813 /nfs/dbraw/zinc/03/98/13/1045039813.db2.gz LAVWCKNDJGSIEL-KRWDZBQOSA-N 1 0 330.497 4.358 20 30 EIEDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125753917 1045044947 /nfs/dbraw/zinc/04/49/47/1045044947.db2.gz WOKXKJKHSIFYSF-AWEZNQCLSA-N 1 0 339.395 4.058 20 30 EIEDRO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](CC)c1ccccc1 ZINC000303657020 1045047827 /nfs/dbraw/zinc/04/78/27/1045047827.db2.gz VOTAIRGRXQBICO-PZJWPPBQSA-N 1 0 343.515 4.294 20 30 EIEDRO CCOCC(C)(C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000555606768 1045051036 /nfs/dbraw/zinc/05/10/36/1045051036.db2.gz PXAUYRZGZOVXIS-UHFFFAOYSA-N 1 0 338.451 4.042 20 30 EIEDRO COc1ccc(CNc2cccc(C[NH+]3CCCCC3)c2)cc1C#N ZINC000156490644 1045061905 /nfs/dbraw/zinc/06/19/05/1045061905.db2.gz UMUGCBOUBCDUNV-UHFFFAOYSA-N 1 0 335.451 4.165 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2cccc(Cl)c2)c(O)c1 ZINC000915115056 1045114372 /nfs/dbraw/zinc/11/43/72/1045114372.db2.gz UOGZLJQNVACBKK-MRUVXERFSA-N 1 0 346.858 4.044 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc(C#N)cc1 ZINC000131139743 1045164167 /nfs/dbraw/zinc/16/41/67/1045164167.db2.gz KTEUAELONJRFCS-LSDHHAIUSA-N 1 0 332.407 4.063 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc2ccccc2o1 ZINC000161782127 1045168556 /nfs/dbraw/zinc/16/85/56/1045168556.db2.gz LUVBRFCRPLHITP-HNNXBMFYSA-N 1 0 346.434 4.019 20 30 EIEDRO CC[C@@H]1CCCCCN1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000739926328 1045175578 /nfs/dbraw/zinc/17/55/78/1045175578.db2.gz DEWOJOIDEKACDY-CABCVRRESA-N 1 0 341.480 4.127 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccncc1 ZINC000766017713 1045179609 /nfs/dbraw/zinc/17/96/09/1045179609.db2.gz CFTRGMNOAKVBQK-BEFAXECRSA-N 1 0 337.423 4.006 20 30 EIEDRO N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000161895484 1045180197 /nfs/dbraw/zinc/18/01/97/1045180197.db2.gz ADQLIHUPVFYCBG-RDTXWAMCSA-N 1 0 349.400 4.030 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(OCCOC)cc1)c1ccncc1 ZINC000766018213 1045192777 /nfs/dbraw/zinc/19/27/77/1045192777.db2.gz GPBSMTFYHYYKQE-OXJNMPFZSA-N 1 0 326.440 4.075 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1C)c1ccncc1 ZINC000766019130 1045211639 /nfs/dbraw/zinc/21/16/39/1045211639.db2.gz KDVWRPNEUKWOTH-MAUKXSAKSA-N 1 0 326.440 4.375 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1C)c1ccncc1 ZINC000766019134 1045212178 /nfs/dbraw/zinc/21/21/78/1045212178.db2.gz KDVWRPNEUKWOTH-YJBOKZPZSA-N 1 0 326.440 4.375 20 30 EIEDRO C=CC[C@@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccncc1 ZINC000766021605 1045227796 /nfs/dbraw/zinc/22/77/96/1045227796.db2.gz UTEAPDWBEPVFLE-IMYXXEESSA-N 1 0 347.462 4.121 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1Cl ZINC000611132107 1045255556 /nfs/dbraw/zinc/25/55/56/1045255556.db2.gz QCUZULSRMKQXCD-KRWDZBQOSA-N 1 0 340.298 4.412 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccccc3C3CC3)CC2)nc1 ZINC000611257834 1045269483 /nfs/dbraw/zinc/26/94/83/1045269483.db2.gz ABWKFDYMQVOZQX-UHFFFAOYSA-N 1 0 347.462 4.310 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000611376401 1045289673 /nfs/dbraw/zinc/28/96/73/1045289673.db2.gz ZXXIWICZOODTOK-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO C[N@@H+](Cc1cccc(C#N)c1F)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611371289 1045290291 /nfs/dbraw/zinc/29/02/91/1045290291.db2.gz JEUCGCKNZYSTIX-PZJWPPBQSA-N 1 0 338.426 4.297 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1cccc(C#N)c1 ZINC000611388362 1045294495 /nfs/dbraw/zinc/29/44/95/1045294495.db2.gz GIDPBMYMDCCYSW-KRWDZBQOSA-N 1 0 347.462 4.035 20 30 EIEDRO CC(C)C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000611388305 1045294965 /nfs/dbraw/zinc/29/49/65/1045294965.db2.gz NKMSZJNYTVVSED-UWJYYQICSA-N 1 0 349.478 4.112 20 30 EIEDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393042 1045298692 /nfs/dbraw/zinc/29/86/92/1045298692.db2.gz DYQJSGZLRWNYFP-HNAYVOBHSA-N 1 0 336.435 4.001 20 30 EIEDRO CC(C)(CO)[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611394271 1045299368 /nfs/dbraw/zinc/29/93/68/1045299368.db2.gz ANAPJBDZDQTGCV-FCHUYYIVSA-N 1 0 348.490 4.328 20 30 EIEDRO COc1cc(Cl)ccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392752 1045299434 /nfs/dbraw/zinc/29/94/34/1045299434.db2.gz IVMAEMSWMIIMKW-SFHVURJKSA-N 1 0 326.827 4.387 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000611392998 1045299748 /nfs/dbraw/zinc/29/97/48/1045299748.db2.gz CBECOLFPGWHPTB-FQEVSTJZSA-N 1 0 333.410 4.388 20 30 EIEDRO COc1ccc(OCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611391277 1045301706 /nfs/dbraw/zinc/30/17/06/1045301706.db2.gz OSIYMALVYMGPNM-NRFANRHFSA-N 1 0 336.435 4.003 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000611390181 1045302896 /nfs/dbraw/zinc/30/28/96/1045302896.db2.gz HZZUMBMTHIDDIA-XZOQPEGZSA-N 1 0 345.490 4.362 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611439459 1045307586 /nfs/dbraw/zinc/30/75/86/1045307586.db2.gz OXKAKXHFXOZQIN-WVFSVQOHSA-N 1 0 338.426 4.441 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237401287 1045384524 /nfs/dbraw/zinc/38/45/24/1045384524.db2.gz RTDZQYOZCXKYQX-SUMWQHHRSA-N 1 0 348.899 4.252 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000915681711 1045446972 /nfs/dbraw/zinc/44/69/72/1045446972.db2.gz DIYDMMYBQBJVRR-AWEZNQCLSA-N 1 0 341.842 4.027 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(SC)ccc1C)C(C)C ZINC000496014692 1045459292 /nfs/dbraw/zinc/45/92/92/1045459292.db2.gz PXYNOFCXPJSKRP-IBGZPJMESA-N 1 0 346.540 4.145 20 30 EIEDRO C=CCCCCC[N@@H+](CCO)Cc1ccc(Br)s1 ZINC001169969733 1045546166 /nfs/dbraw/zinc/54/61/66/1045546166.db2.gz ADRRJWMGTWVMHO-UHFFFAOYSA-N 1 0 332.307 4.051 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000347452727 1045646221 /nfs/dbraw/zinc/64/62/21/1045646221.db2.gz RHWCAZQKOFRQDE-MRXNPFEDSA-N 1 0 335.451 4.083 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](OC)c2cccc(Cl)c2)cc1 ZINC000742387071 1045657424 /nfs/dbraw/zinc/65/74/24/1045657424.db2.gz DIIGCVRTWCRNGG-FQEVSTJZSA-N 1 0 343.854 4.219 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](OC)c2cccc(Cl)c2)cc1 ZINC000742387072 1045658161 /nfs/dbraw/zinc/65/81/61/1045658161.db2.gz DIIGCVRTWCRNGG-HXUWFJFHSA-N 1 0 343.854 4.219 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3c(O)ccc4ccncc43)CC2)cc1 ZINC000767987320 1045693296 /nfs/dbraw/zinc/69/32/96/1045693296.db2.gz PRIONRFVZGRASZ-UHFFFAOYSA-N 1 0 341.414 4.101 20 30 EIEDRO Cc1cc(-c2noc([C@@H]3CC[C@@H](c4ccccc4)[NH2+]C3)n2)ccc1C#N ZINC001212212558 1045697395 /nfs/dbraw/zinc/69/73/95/1045697395.db2.gz UCZNEHCIEHUOKI-MOPGFXCFSA-N 1 0 344.418 4.125 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccncc1 ZINC000768102738 1045715584 /nfs/dbraw/zinc/71/55/84/1045715584.db2.gz BONXUGRCONQOQK-YOEHRIQHSA-N 1 0 341.411 4.357 20 30 EIEDRO C#CCC(C)(C)C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000768146849 1045720207 /nfs/dbraw/zinc/72/02/07/1045720207.db2.gz RTIMHZARVVVCCE-QGZVFWFLSA-N 1 0 328.500 4.062 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000768136693 1045724831 /nfs/dbraw/zinc/72/48/31/1045724831.db2.gz BIHBHTFVBRHWCK-SFHVURJKSA-N 1 0 334.463 4.432 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000791569626 1045758509 /nfs/dbraw/zinc/75/85/09/1045758509.db2.gz WNIYXFJWUYHWJH-UHFFFAOYSA-N 1 0 334.463 4.174 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000768258939 1045766473 /nfs/dbraw/zinc/76/64/73/1045766473.db2.gz ZAHYSWZOUURXOX-KRWDZBQOSA-N 1 0 349.478 4.208 20 30 EIEDRO CC(C)c1ccc(C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000763232781 1045787397 /nfs/dbraw/zinc/78/73/97/1045787397.db2.gz HXJWTXVXMIQSDN-QFIPXVFZSA-N 1 0 334.463 4.380 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCN2CCc3ccccc32)CC1 ZINC000768402092 1045803221 /nfs/dbraw/zinc/80/32/21/1045803221.db2.gz NQQUXTGHRDVVRY-UHFFFAOYSA-N 1 0 345.490 4.043 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000246485382 1045817233 /nfs/dbraw/zinc/81/72/33/1045817233.db2.gz ROEHAZHKFRGEIW-BVYCBKJFSA-N 1 0 333.479 4.142 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\CCO[C@@H]2CCCC[C@@H]2C)c(O)c1 ZINC000915978514 1045849224 /nfs/dbraw/zinc/84/92/24/1045849224.db2.gz HOPNUVQQEXYLAV-AWKYKOFISA-N 1 0 332.488 4.253 20 30 EIEDRO CC[NH+](CC)Cc1cccc(CN=Cc2cc3ccccc3[nH]c2=O)c1 ZINC000915980755 1045853616 /nfs/dbraw/zinc/85/36/16/1045853616.db2.gz BULUHNZVTOGPKZ-HZHRSRAPSA-N 1 0 347.462 4.401 20 30 EIEDRO Cc1ccccc1OCCC[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768919735 1045860191 /nfs/dbraw/zinc/86/01/91/1045860191.db2.gz BPGFFJHOSYDXQZ-GOSISDBHSA-N 1 0 338.451 4.187 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000768930145 1045860931 /nfs/dbraw/zinc/86/09/31/1045860931.db2.gz LMXJYPDQSBDCQL-SFHVURJKSA-N 1 0 337.552 4.253 20 30 EIEDRO O[C@H](C[C@H]1CCCCC[N@@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000792239648 1045880481 /nfs/dbraw/zinc/88/04/81/1045880481.db2.gz CYBOKXMQNOEXSX-WOJBJXKFSA-N 1 0 339.504 4.468 20 30 EIEDRO O[C@@H](C[C@H]1CCCCC[N@@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000792239646 1045880886 /nfs/dbraw/zinc/88/08/86/1045880886.db2.gz CYBOKXMQNOEXSX-UXHICEINSA-N 1 0 339.504 4.468 20 30 EIEDRO C#CCOc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000769210713 1045893159 /nfs/dbraw/zinc/89/31/59/1045893159.db2.gz IJKSQIKWXOSMQG-JTHBVZDNSA-N 1 0 349.474 4.298 20 30 EIEDRO Cc1nc([C@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)cs1 ZINC000250096609 1045910784 /nfs/dbraw/zinc/91/07/84/1045910784.db2.gz QUQXIDJDVLPUOD-FZKQIMNGSA-N 1 0 327.453 4.080 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3cncc4ccccc43)CC2)cc1 ZINC000769325940 1045923129 /nfs/dbraw/zinc/92/31/29/1045923129.db2.gz DNVYTALYVHEFQK-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO C=C(C)C[N@@H+](CCOCc1ccccc1)Cc1cnn(C(C)C)c1 ZINC001170206173 1045926349 /nfs/dbraw/zinc/92/63/49/1045926349.db2.gz RMHDKWVGWWICAK-UHFFFAOYSA-N 1 0 327.472 4.059 20 30 EIEDRO N#Cc1ccc2ncc(CN3CCC[C@@H]3c3ccccc3Cl)n2c1 ZINC000153400795 1045938188 /nfs/dbraw/zinc/93/81/88/1045938188.db2.gz GIXVSZRUEWUQJR-GOSISDBHSA-N 1 0 336.826 4.196 20 30 EIEDRO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614925358 1045946413 /nfs/dbraw/zinc/94/64/13/1045946413.db2.gz ZLAPDFFKCDLGNG-QGZVFWFLSA-N 1 0 340.389 4.031 20 30 EIEDRO CCCCCCCCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000916194262 1045949500 /nfs/dbraw/zinc/94/95/00/1045949500.db2.gz QDKRZEVPJCCOEC-UHFFFAOYSA-N 1 0 337.552 4.397 20 30 EIEDRO C[C@H](Cc1ccccc1Cl)[NH2+]CCCOc1cccc(C#N)c1 ZINC001170256293 1045956326 /nfs/dbraw/zinc/95/63/26/1045956326.db2.gz KDLYMWAGXUWADV-OAHLLOKOSA-N 1 0 328.843 4.201 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000237825304 1045984034 /nfs/dbraw/zinc/98/40/34/1045984034.db2.gz JZIYZKQXMOOPNI-QFIPXVFZSA-N 1 0 334.463 4.480 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2cc3ccccc3o2)cc1 ZINC000769498607 1045998634 /nfs/dbraw/zinc/99/86/34/1045998634.db2.gz MSVFMKPFUVVKOY-UHFFFAOYSA-N 1 0 333.435 4.415 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC001170355611 1046010298 /nfs/dbraw/zinc/01/02/98/1046010298.db2.gz MEELBGUEZNBRJK-UHFFFAOYSA-N 1 0 331.419 4.322 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC001170362204 1046015795 /nfs/dbraw/zinc/01/57/95/1046015795.db2.gz PJWCRXOZMJUDSB-UHFFFAOYSA-N 1 0 326.390 4.459 20 30 EIEDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000769549312 1046016616 /nfs/dbraw/zinc/01/66/16/1046016616.db2.gz PAKXOHUXBREXEM-WOJBJXKFSA-N 1 0 336.435 4.063 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2c(C[NH3+])cc3ccncc32)CC1 ZINC001170371912 1046016854 /nfs/dbraw/zinc/01/68/54/1046016854.db2.gz NPMZBROTNOKJFV-UHFFFAOYSA-N 1 0 330.435 4.072 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc3ncoc32)CC1 ZINC001170365261 1046017892 /nfs/dbraw/zinc/01/78/92/1046017892.db2.gz SKOCZJATPMUSMX-UHFFFAOYSA-N 1 0 331.419 4.322 20 30 EIEDRO C[N@H+](CCOc1ccccc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170386426 1046026109 /nfs/dbraw/zinc/02/61/09/1046026109.db2.gz GEQYSPQNZPXJCI-UHFFFAOYSA-N 1 0 334.463 4.401 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@H](COCC3CC3)C2)CC1 ZINC001170395742 1046029059 /nfs/dbraw/zinc/02/90/59/1046029059.db2.gz OJBGPWHNYDEJIP-JSRJAPPDSA-N 1 0 338.495 4.139 20 30 EIEDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC001170419544 1046062464 /nfs/dbraw/zinc/06/24/64/1046062464.db2.gz FOMMPWQZCBBRND-RTBURBONSA-N 1 0 336.435 4.349 20 30 EIEDRO C[C@H]1CC2(C[N@@H+]1CCC(C)(C)C#N)CCN(C(=O)OC(C)(C)C)CC2 ZINC000496802495 1046067971 /nfs/dbraw/zinc/06/79/71/1046067971.db2.gz ITLJCDUIOUQRHY-INIZCTEOSA-N 1 0 349.519 4.038 20 30 EIEDRO C[C@@H]1CC2(C[N@@H+]1CCC(C)(C)C#N)CCN(C(=O)OC(C)(C)C)CC2 ZINC000496802496 1046068552 /nfs/dbraw/zinc/06/85/52/1046068552.db2.gz ITLJCDUIOUQRHY-MRXNPFEDSA-N 1 0 349.519 4.038 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2sccc2OC)cc(OC)c1OC ZINC000769962408 1046109817 /nfs/dbraw/zinc/10/98/17/1046109817.db2.gz HUDDBPRTUDYIMV-CYBMUJFWSA-N 1 0 347.480 4.353 20 30 EIEDRO CCCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(C)o1 ZINC000763407068 1046133408 /nfs/dbraw/zinc/13/34/08/1046133408.db2.gz MIEBYOPHNQRLNR-VQIMIIECSA-N 1 0 326.440 4.356 20 30 EIEDRO C[C@H](c1ccccc1)[N@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CCC1 ZINC000763411707 1046144475 /nfs/dbraw/zinc/14/44/75/1046144475.db2.gz ULDKNPQUHGAWAP-VGSWGCGISA-N 1 0 334.463 4.455 20 30 EIEDRO CCCC1(C[NH2+]CCCCC#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000497032789 1046175652 /nfs/dbraw/zinc/17/56/52/1046175652.db2.gz GZLUHOVGIXPUOX-UHFFFAOYSA-N 1 0 337.508 4.087 20 30 EIEDRO COc1ccc([C@@H](NCc2ccccc2C#N)c2ccccc2)cc1 ZINC000611565617 1046186099 /nfs/dbraw/zinc/18/60/99/1046186099.db2.gz SZLSJASHUJGEQO-QFIPXVFZSA-N 1 0 328.415 4.446 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000611578979 1046192814 /nfs/dbraw/zinc/19/28/14/1046192814.db2.gz GPZWIFUBJLRLPS-SFHVURJKSA-N 1 0 342.389 4.429 20 30 EIEDRO COC(=O)C1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000192446335 1046247871 /nfs/dbraw/zinc/24/78/71/1046247871.db2.gz QUYDTYQCTIPPEE-UHFFFAOYSA-N 1 0 348.446 4.047 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000793522912 1046263103 /nfs/dbraw/zinc/26/31/03/1046263103.db2.gz CKSCOKQCRCPCNP-GOSISDBHSA-N 1 0 328.500 4.406 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000793620892 1046315653 /nfs/dbraw/zinc/31/56/53/1046315653.db2.gz SMMBMBRUPZOFBZ-UHFFFAOYSA-N 1 0 339.405 4.201 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)c1ccco1 ZINC000476011001 1046408946 /nfs/dbraw/zinc/40/89/46/1046408946.db2.gz VNOVGKBQHRWUTL-LJQANCHMSA-N 1 0 335.451 4.364 20 30 EIEDRO C[NH+]1C(C)(C)CC(Nc2ncc(C#N)c3ccsc32)CC1(C)C ZINC001170449909 1046474772 /nfs/dbraw/zinc/47/47/72/1046474772.db2.gz ASXXXCKACOAWJU-UHFFFAOYSA-N 1 0 328.485 4.231 20 30 EIEDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000497269482 1046539156 /nfs/dbraw/zinc/53/91/56/1046539156.db2.gz PISUNFVGGHYLBH-KBPBESRZSA-N 1 0 349.450 4.041 20 30 EIEDRO N#Cc1ccc2ncc(C[N@H+](CCc3ccccc3)C3CCCC3)n2c1 ZINC000508775876 1046568787 /nfs/dbraw/zinc/56/87/87/1046568787.db2.gz VDENPCQLHDMDAV-UHFFFAOYSA-N 1 0 344.462 4.193 20 30 EIEDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000772136811 1046572017 /nfs/dbraw/zinc/57/20/17/1046572017.db2.gz LFJVEZHKLOKQPS-KRWDZBQOSA-N 1 0 331.341 4.176 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC(OC(C)C)CC2)ccc1OC ZINC000536647716 1046610977 /nfs/dbraw/zinc/61/09/77/1046610977.db2.gz NKVDKIILDFERBD-UHFFFAOYSA-N 1 0 333.472 4.040 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000917063780 1046615300 /nfs/dbraw/zinc/61/53/00/1046615300.db2.gz JILWEJBSZAUODA-HXUWFJFHSA-N 1 0 338.426 4.173 20 30 EIEDRO C=CCOc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1Cl ZINC000536662361 1046630197 /nfs/dbraw/zinc/63/01/97/1046630197.db2.gz SMKBNCKMXADGSB-SFHVURJKSA-N 1 0 348.918 4.355 20 30 EIEDRO COc1ccccc1/C=C\CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000536668530 1046642254 /nfs/dbraw/zinc/64/22/54/1046642254.db2.gz IQWPUBVYGIBIKX-WLEBJDBUSA-N 1 0 332.447 4.480 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](SCC)C2)cc1OC ZINC000536667309 1046643770 /nfs/dbraw/zinc/64/37/70/1046643770.db2.gz WVCJMZWMLJHMHZ-SJORKVTESA-N 1 0 335.513 4.366 20 30 EIEDRO C[N@H+](CCc1ccc(Br)cc1)Cc1cc(C#N)cs1 ZINC000536683420 1046684179 /nfs/dbraw/zinc/68/41/79/1046684179.db2.gz PXBBLEPCHRWUPU-UHFFFAOYSA-N 1 0 335.270 4.057 20 30 EIEDRO N#C[C@H]1CCC[C@@H]1[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000459456584 1046689424 /nfs/dbraw/zinc/68/94/24/1046689424.db2.gz CBXCJWLXUDJSCN-CJNGLKHVSA-N 1 0 326.362 4.146 20 30 EIEDRO CCCCCN(CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C)C ZINC000917099936 1046709581 /nfs/dbraw/zinc/70/95/81/1046709581.db2.gz GKZOEWMMQZWBCL-OAHLLOKOSA-N 1 0 343.496 4.373 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459516670 1046741701 /nfs/dbraw/zinc/74/17/01/1046741701.db2.gz CHFBWIHAXSDKOW-KRWDZBQOSA-N 1 0 343.515 4.392 20 30 EIEDRO C[C@H](OC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000785714018 1046743032 /nfs/dbraw/zinc/74/30/32/1046743032.db2.gz PWWFSDVLFPGKPX-INIZCTEOSA-N 1 0 334.419 4.072 20 30 EIEDRO C[C@H](OC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccc(C#N)c1 ZINC000785713668 1046744263 /nfs/dbraw/zinc/74/42/63/1046744263.db2.gz IPMOWHCIRODMHH-INIZCTEOSA-N 1 0 334.419 4.072 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000154330320 1046821197 /nfs/dbraw/zinc/82/11/97/1046821197.db2.gz YVUUJOHROUJZFL-LLGFUMIMSA-N 1 0 325.500 4.252 20 30 EIEDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000459646523 1046833898 /nfs/dbraw/zinc/83/38/98/1046833898.db2.gz ITDLXOQQHYZPQW-AWEZNQCLSA-N 1 0 347.384 4.473 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cn(CCCC)nc2C)cc1Cl ZINC000536892072 1046852100 /nfs/dbraw/zinc/85/21/00/1046852100.db2.gz AXBLSZBSUNHMCK-UHFFFAOYSA-N 1 0 347.890 4.500 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000459690075 1046857764 /nfs/dbraw/zinc/85/77/64/1046857764.db2.gz JIPSOPSEPVZNMH-UHFFFAOYSA-N 1 0 329.425 4.353 20 30 EIEDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCC1 ZINC000459801990 1046893590 /nfs/dbraw/zinc/89/35/90/1046893590.db2.gz LTGUQAHXSWXIIP-HNAYVOBHSA-N 1 0 345.462 4.019 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000537027872 1046904778 /nfs/dbraw/zinc/90/47/78/1046904778.db2.gz SMGAOPPLFSUGPR-LJQANCHMSA-N 1 0 349.478 4.209 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc3ccccc32)c1C#N ZINC000537041751 1046913031 /nfs/dbraw/zinc/91/30/31/1046913031.db2.gz BDQCELNDHSFPAE-HNNXBMFYSA-N 1 0 344.414 4.349 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000537097205 1046928455 /nfs/dbraw/zinc/92/84/55/1046928455.db2.gz DKZXDKMJNPCNHL-IAGOWNOFSA-N 1 0 325.452 4.197 20 30 EIEDRO CC[C@H]1CC([NH+]2CCC(C#N)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170485788 1046961937 /nfs/dbraw/zinc/96/19/37/1046961937.db2.gz YYIYAYUHKDLCLX-IRXDYDNUSA-N 1 0 349.519 4.179 20 30 EIEDRO CC(C)CCC[C@H](C)[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001170071290 1046975457 /nfs/dbraw/zinc/97/54/57/1046975457.db2.gz MUMAHFJADRBQAL-SFHVURJKSA-N 1 0 327.516 4.327 20 30 EIEDRO COc1ccc(O)c(C=Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000917557630 1046995423 /nfs/dbraw/zinc/99/54/23/1046995423.db2.gz DCJOSZHNDRQBJB-UHFFFAOYSA-N 1 0 338.451 4.180 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420473 1047004399 /nfs/dbraw/zinc/00/43/99/1047004399.db2.gz HQFWLIYABNZAME-SWLSCSKDSA-N 1 0 326.362 4.140 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000537213206 1047033082 /nfs/dbraw/zinc/03/30/82/1047033082.db2.gz ZQTUVDHECYGFGT-GOSISDBHSA-N 1 0 345.899 4.200 20 30 EIEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537292262 1047075820 /nfs/dbraw/zinc/07/58/20/1047075820.db2.gz HHZJJYBZEUGQDK-DYESRHJHSA-N 1 0 339.527 4.327 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000537296634 1047081885 /nfs/dbraw/zinc/08/18/85/1047081885.db2.gz WAQZNSRRRBFGLE-QGZVFWFLSA-N 1 0 333.479 4.046 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000537305462 1047089756 /nfs/dbraw/zinc/08/97/56/1047089756.db2.gz UMRUFPYXMVDGPV-KPOBHBOGSA-N 1 0 339.870 4.308 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000537305463 1047091118 /nfs/dbraw/zinc/09/11/18/1047091118.db2.gz UMRUFPYXMVDGPV-PNHOKKKMSA-N 1 0 339.870 4.308 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)cc1C#N ZINC000746739976 1047154632 /nfs/dbraw/zinc/15/46/32/1047154632.db2.gz BOLIMKRVTMJFBV-UHFFFAOYSA-N 1 0 346.377 4.075 20 30 EIEDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000537405708 1047197092 /nfs/dbraw/zinc/19/70/92/1047197092.db2.gz QYROOSSPUUBAJP-LRDNONRASA-N 1 0 342.414 4.133 20 30 EIEDRO C=CCCC1(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000476066943 1047270082 /nfs/dbraw/zinc/27/00/82/1047270082.db2.gz ZFDDHEPVGJXLJC-KRWDZBQOSA-N 1 0 326.484 4.075 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000154695032 1047407437 /nfs/dbraw/zinc/40/74/37/1047407437.db2.gz SNYPAZNEXIWWRP-MGPUTAFESA-N 1 0 342.389 4.423 20 30 EIEDRO CCOc1ccc(O)c(/C=N/C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000746815001 1047426118 /nfs/dbraw/zinc/42/61/18/1047426118.db2.gz DKYFYVPPUBSNHQ-RCCKNPSSSA-N 1 0 330.472 4.007 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000556094348 1047446247 /nfs/dbraw/zinc/44/62/47/1047446247.db2.gz SDZLRLIJMYKWMG-LJQANCHMSA-N 1 0 339.435 4.279 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCc1ccc(-c2nc(CC)no2)cc1)C1CC1 ZINC000536873180 1047455317 /nfs/dbraw/zinc/45/53/17/1047455317.db2.gz XJROHQMOEWONKZ-GOSISDBHSA-N 1 0 325.456 4.176 20 30 EIEDRO FC(F)(F)C1(C(F)(F)F)CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000556124901 1047466226 /nfs/dbraw/zinc/46/62/26/1047466226.db2.gz DIELKQMRYLHEPK-MRVPVSSYSA-N 1 0 325.243 4.239 20 30 EIEDRO C=C(CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccccc1 ZINC000455867919 1047531771 /nfs/dbraw/zinc/53/17/71/1047531771.db2.gz VNZOBTNJPKXMFF-HXUWFJFHSA-N 1 0 335.451 4.070 20 30 EIEDRO Cc1nc2ccccn2c1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000898276977 1047605625 /nfs/dbraw/zinc/60/56/25/1047605625.db2.gz UMZWVDZAGUTBHK-UHFFFAOYSA-N 1 0 344.462 4.137 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)cc2)CC1 ZINC000824656790 1047895466 /nfs/dbraw/zinc/89/54/66/1047895466.db2.gz MTIWSDFBKXYPPJ-FGZHOGPDSA-N 1 0 346.474 4.330 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)cc2)CC1 ZINC000824656792 1047896535 /nfs/dbraw/zinc/89/65/35/1047896535.db2.gz MTIWSDFBKXYPPJ-VXKWHMMOSA-N 1 0 346.474 4.330 20 30 EIEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1(Cl)Cl ZINC000824773626 1047927481 /nfs/dbraw/zinc/92/74/81/1047927481.db2.gz MNKKSFVRESTBDO-GFCCVEGCSA-N 1 0 337.172 4.251 20 30 EIEDRO C=CCN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)C(C)C ZINC000919656011 1047929123 /nfs/dbraw/zinc/92/91/23/1047929123.db2.gz DROHCAYKWUPHCV-FQEVSTJZSA-N 1 0 343.515 4.066 20 30 EIEDRO CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000824854625 1047974400 /nfs/dbraw/zinc/97/44/00/1047974400.db2.gz BHDJTRKRLDYKSI-NRFANRHFSA-N 1 0 334.463 4.106 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCN(C)c3ccccc32)cc1 ZINC000825111117 1048037758 /nfs/dbraw/zinc/03/77/58/1048037758.db2.gz LCKJPWCXOOJADT-OAQYLSRUSA-N 1 0 348.494 4.097 20 30 EIEDRO Cc1cc(CC#N)ccc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001170751939 1048062951 /nfs/dbraw/zinc/06/29/51/1048062951.db2.gz LGGYVESJUPJKFK-NRFANRHFSA-N 1 0 333.479 4.180 20 30 EIEDRO C#CCCC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000808699233 1048080726 /nfs/dbraw/zinc/08/07/26/1048080726.db2.gz BQABOMSUIKBTGH-MRXNPFEDSA-N 1 0 331.257 4.311 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000814659453 1048104473 /nfs/dbraw/zinc/10/44/73/1048104473.db2.gz NRMHYIAGQNXPMM-MOPGFXCFSA-N 1 0 330.378 4.023 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000814661099 1048106249 /nfs/dbraw/zinc/10/62/49/1048106249.db2.gz VHKRXHZIZFZNHO-RTBURBONSA-N 1 0 328.843 4.398 20 30 EIEDRO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1c(Cl)cccc1C#N ZINC001143730903 1048176977 /nfs/dbraw/zinc/17/69/77/1048176977.db2.gz FKGTZZJBJRMIEF-IRXDYDNUSA-N 1 0 331.891 4.050 20 30 EIEDRO c1cnc2c(c1)cccc2CN[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814803904 1048189369 /nfs/dbraw/zinc/18/93/69/1048189369.db2.gz PZMKZOVMGJVGEC-OAHLLOKOSA-N 1 0 328.419 4.032 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c(O)c(OC)c1 ZINC000844256938 1048270604 /nfs/dbraw/zinc/27/06/04/1048270604.db2.gz AMTXHEYCTAUPOJ-HXUWFJFHSA-N 1 0 337.463 4.336 20 30 EIEDRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000815060904 1048314153 /nfs/dbraw/zinc/31/41/53/1048314153.db2.gz FSAZULNJMMFKMH-OAGGEKHMSA-N 1 0 334.895 4.330 20 30 EIEDRO Cc1ccc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cc1C#N ZINC000809351999 1048320598 /nfs/dbraw/zinc/32/05/98/1048320598.db2.gz CFEQMQLAFQUPQI-UHFFFAOYSA-N 1 0 344.418 4.180 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccnc(Br)c1 ZINC000815102443 1048346099 /nfs/dbraw/zinc/34/60/99/1048346099.db2.gz IUYORGAXZYDHEC-UHFFFAOYSA-N 1 0 331.257 4.422 20 30 EIEDRO C#CCC1(c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)CCCCC1 ZINC000809407349 1048357296 /nfs/dbraw/zinc/35/72/96/1048357296.db2.gz XKSHAWFZSQZFFH-UHFFFAOYSA-N 1 0 341.430 4.163 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(C)(F)F)cc2)cc1 ZINC000815142169 1048363559 /nfs/dbraw/zinc/36/35/59/1048363559.db2.gz OJJHLJFJSAKYBC-CQSZACIVSA-N 1 0 330.378 4.379 20 30 EIEDRO C=CC[C@H](C)C(=O)Nc1ccc2c(c1)CC[C@H]([NH+]1CCCC1)CC2 ZINC001144020161 1048369217 /nfs/dbraw/zinc/36/92/17/1048369217.db2.gz BEHQKCASFZZWMB-OXJNMPFZSA-N 1 0 326.484 4.181 20 30 EIEDRO CC(C)(C)Oc1ccc([C@H]2CC[N@H+](Cc3cncc(C#N)c3)C2)cc1 ZINC001144086375 1048403635 /nfs/dbraw/zinc/40/36/35/1048403635.db2.gz PQXCJMCQXFJAGP-IBGZPJMESA-N 1 0 335.451 4.120 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000809551070 1048411879 /nfs/dbraw/zinc/41/18/79/1048411879.db2.gz ZORKDIHDBADBAO-UHFFFAOYSA-N 1 0 339.385 4.041 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)cc1 ZINC000809626571 1048442644 /nfs/dbraw/zinc/44/26/44/1048442644.db2.gz HKWOAXBLKQUUTQ-UHFFFAOYSA-N 1 0 329.447 4.267 20 30 EIEDRO C#C[C@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F ZINC000809698640 1048458752 /nfs/dbraw/zinc/45/87/52/1048458752.db2.gz FHHBMIUYKHYIJK-FQEVSTJZSA-N 1 0 342.845 4.412 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)s1 ZINC000809699344 1048461351 /nfs/dbraw/zinc/46/13/51/1048461351.db2.gz QNPMWUJRVMKLJH-NRFANRHFSA-N 1 0 348.471 4.356 20 30 EIEDRO C=CCC(F)(F)C(=O)N(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000815398912 1048461552 /nfs/dbraw/zinc/46/15/52/1048461552.db2.gz AFTAKDWTYYBQBN-UHFFFAOYSA-N 1 0 330.463 4.136 20 30 EIEDRO C#C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)c1ccc(Cl)cc1F ZINC000809699849 1048466715 /nfs/dbraw/zinc/46/67/15/1048466715.db2.gz TWQSRIHOHYABCD-SFHVURJKSA-N 1 0 335.850 4.482 20 30 EIEDRO C#C[C@H]([NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1)C(C)C ZINC000809685168 1048472275 /nfs/dbraw/zinc/47/22/75/1048472275.db2.gz CTZFPRBXOGIDHZ-IBGZPJMESA-N 1 0 339.483 4.061 20 30 EIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(Cl)ccc1O ZINC000809705554 1048488440 /nfs/dbraw/zinc/48/84/40/1048488440.db2.gz VPEXOBQZXPPYNF-UHFFFAOYSA-N 1 0 333.863 4.401 20 30 EIEDRO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000809715809 1048497173 /nfs/dbraw/zinc/49/71/73/1048497173.db2.gz GUQKCFHTQRDQNT-UHFFFAOYSA-N 1 0 348.446 4.013 20 30 EIEDRO C=CCCC[C@H](C(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccccc1 ZINC001131876573 1048527860 /nfs/dbraw/zinc/52/78/60/1048527860.db2.gz QEUJVGQNSFHLSX-FQEVSTJZSA-N 1 0 342.527 4.459 20 30 EIEDRO C=C(C)COCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815596003 1048529610 /nfs/dbraw/zinc/52/96/10/1048529610.db2.gz HXCSZPZERNMWDS-HXUWFJFHSA-N 1 0 325.452 4.248 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1 ZINC000815644740 1048569328 /nfs/dbraw/zinc/56/93/28/1048569328.db2.gz KPVURZGAKQAUBZ-CQSZACIVSA-N 1 0 348.368 4.006 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc(C#N)c4ccccc43)c2c1 ZINC001171167441 1048612554 /nfs/dbraw/zinc/61/25/54/1048612554.db2.gz ZGVMWHLYXOIZFM-HNNXBMFYSA-N 1 0 340.430 4.249 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000810128159 1048640722 /nfs/dbraw/zinc/64/07/22/1048640722.db2.gz DFJZEQDURCIDCL-SJORKVTESA-N 1 0 347.462 4.487 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)c(Br)c1 ZINC001171176552 1048645389 /nfs/dbraw/zinc/64/53/89/1048645389.db2.gz SQEZVRAFJNWKEP-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC001171175517 1048645457 /nfs/dbraw/zinc/64/54/57/1048645457.db2.gz MJSGFCFNCVHFJA-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO [NH2+]=C(Nc1cc2nc(Cl)ccc2[nH]1)c1ccc2cc(O)ccc2c1 ZINC001171177111 1048646770 /nfs/dbraw/zinc/64/67/70/1048646770.db2.gz FBMUJCAIPQGBQF-UHFFFAOYSA-N 1 0 336.782 4.112 20 30 EIEDRO C=CCOCc1nn(C)c2c1C[N@H+]([C@@H](CC)CCCCCC)CC2 ZINC001170599269 1048655666 /nfs/dbraw/zinc/65/56/66/1048655666.db2.gz MWXCYPCYTMYGNC-KRWDZBQOSA-N 1 0 333.520 4.230 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2cc(F)cc(F)c2)ccc1O ZINC000920375447 1048658396 /nfs/dbraw/zinc/65/83/96/1048658396.db2.gz ZPTLLMHNVIXQSJ-UHFFFAOYSA-N 1 0 347.409 4.348 20 30 EIEDRO C#CCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000920416151 1048668511 /nfs/dbraw/zinc/66/85/11/1048668511.db2.gz SGAXLACGLQXMFX-NRFANRHFSA-N 1 0 338.882 4.070 20 30 EIEDRO C#CCC[N@@H+](CC)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000920415712 1048668688 /nfs/dbraw/zinc/66/86/88/1048668688.db2.gz CVTZNYKTDZLETB-UHFFFAOYSA-N 1 0 329.465 4.181 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001171182463 1048673816 /nfs/dbraw/zinc/67/38/16/1048673816.db2.gz VKCYDHILIPHQIP-MSYCTHLASA-N 1 0 347.506 4.132 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001171182465 1048674187 /nfs/dbraw/zinc/67/41/87/1048674187.db2.gz VKCYDHILIPHQIP-SELNLUPBSA-N 1 0 347.506 4.132 20 30 EIEDRO Cc1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cnc1OC(C)C ZINC001171182734 1048674344 /nfs/dbraw/zinc/67/43/44/1048674344.db2.gz RTIORZXNLGFCRI-UHFFFAOYSA-N 1 0 335.407 4.073 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)ccc1C(F)(F)F ZINC001171183695 1048674620 /nfs/dbraw/zinc/67/46/20/1048674620.db2.gz IXRZHRSLAXEXAL-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC001171186474 1048677386 /nfs/dbraw/zinc/67/73/86/1048677386.db2.gz WNBSNGFKKXFOQT-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC001171186596 1048678256 /nfs/dbraw/zinc/67/82/56/1048678256.db2.gz XDECUUWZVAWKOM-VGSWGCGISA-N 1 0 327.431 4.263 20 30 EIEDRO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000810220973 1048691083 /nfs/dbraw/zinc/69/10/83/1048691083.db2.gz IJLXQQCQWGSDIJ-HZPDHXFCSA-N 1 0 345.487 4.292 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1c2ccc(F)cc2c2c1C[C@H]([NH3+])CC2 ZINC001171194458 1048699058 /nfs/dbraw/zinc/69/90/58/1048699058.db2.gz JPJJNSOHVCQUJS-KBXCAEBGSA-N 1 0 347.437 4.272 20 30 EIEDRO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171195797 1048701757 /nfs/dbraw/zinc/70/17/57/1048701757.db2.gz UOXWLSSDVHHBKV-APWZRJJASA-N 1 0 344.499 4.225 20 30 EIEDRO COc1ccc(CC2([NH2+][C@H](C)Cc3cccc(C#N)c3)CCC2)cc1 ZINC001171198532 1048725894 /nfs/dbraw/zinc/72/58/94/1048725894.db2.gz MWHISETZKARGKJ-QGZVFWFLSA-N 1 0 334.463 4.253 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc2c(c1)CCCO2 ZINC000810250477 1048729241 /nfs/dbraw/zinc/72/92/41/1048729241.db2.gz MSRWIYJFDMQJSO-IBGZPJMESA-N 1 0 336.435 4.133 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(Cc2ccccc2)CCOCC1 ZINC001171198160 1048730905 /nfs/dbraw/zinc/73/09/05/1048730905.db2.gz HVNLGTHQTLOEEE-IBGZPJMESA-N 1 0 348.490 4.118 20 30 EIEDRO C#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](n2c(C)nnc2C(C)C)C3)cc1 ZINC001144578543 1048731261 /nfs/dbraw/zinc/73/12/61/1048731261.db2.gz GJVZTYQAAGNLBW-WKCHPHFGSA-N 1 0 348.494 4.059 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC001171201800 1048755989 /nfs/dbraw/zinc/75/59/89/1048755989.db2.gz RDBNUVPFJXQTIG-RNODOKPDSA-N 1 0 326.390 4.435 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1(C)CCN(Cc2ccccc2)CC1 ZINC001171202137 1048758687 /nfs/dbraw/zinc/75/86/87/1048758687.db2.gz WEKQDLPTSNYMBM-IBGZPJMESA-N 1 0 347.506 4.134 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)C1 ZINC000845935554 1048767464 /nfs/dbraw/zinc/76/74/64/1048767464.db2.gz DZHUIERRFIEXSU-JZXOWHBKSA-N 1 0 346.490 4.182 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(O[C@H](C#N)CC)c2)C1 ZINC000845939642 1048767499 /nfs/dbraw/zinc/76/74/99/1048767499.db2.gz KSBFJHGZCZIGIZ-NJAFHUGGSA-N 1 0 328.456 4.211 20 30 EIEDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171204185 1048769730 /nfs/dbraw/zinc/76/97/30/1048769730.db2.gz UJGHOHHQPLYYBD-QZTJIDSGSA-N 1 0 336.479 4.451 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000845977864 1048772578 /nfs/dbraw/zinc/77/25/78/1048772578.db2.gz RQVRMXWVWFHMIT-JFIYKMOQSA-N 1 0 328.456 4.429 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)cc1 ZINC000075800599 1048777922 /nfs/dbraw/zinc/77/79/22/1048777922.db2.gz BNOBXVRMQLSXBS-HNNXBMFYSA-N 1 0 327.424 4.119 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1cccc(Br)c1 ZINC001171208420 1048804388 /nfs/dbraw/zinc/80/43/88/1048804388.db2.gz BLFLYYHMQNSDLD-CQSZACIVSA-N 1 0 343.268 4.384 20 30 EIEDRO CCOc1ccc(/C=N\C[C@H](c2ccccc2)[NH+]2CCCC2)c(O)c1 ZINC000920943809 1048817434 /nfs/dbraw/zinc/81/74/34/1048817434.db2.gz JKNHLWVZGAVSGL-AREJXAQWSA-N 1 0 338.451 4.047 20 30 EIEDRO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC001144717124 1048817401 /nfs/dbraw/zinc/81/74/01/1048817401.db2.gz ANLKEMVVKMOKHZ-LJQANCHMSA-N 1 0 331.419 4.083 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2cc(C)c(C)cc2OC(F)F)CC1 ZINC000236689663 1048833169 /nfs/dbraw/zinc/83/31/69/1048833169.db2.gz JJWMVEGIYUGQQT-UHFFFAOYSA-N 1 0 338.442 4.035 20 30 EIEDRO C[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc(OCC#N)cc1 ZINC000846217261 1048842718 /nfs/dbraw/zinc/84/27/18/1048842718.db2.gz YHIJOBQMYPANCL-GXTWGEPZSA-N 1 0 327.255 4.214 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000816619878 1048845971 /nfs/dbraw/zinc/84/59/71/1048845971.db2.gz ZCKNOPROMSTPEK-NRFANRHFSA-N 1 0 333.479 4.416 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001171223325 1048861386 /nfs/dbraw/zinc/86/13/86/1048861386.db2.gz MRKWGDDQUVUJBT-PGRDOPGGSA-N 1 0 334.463 4.170 20 30 EIEDRO COC1(c2ccccc2)CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171228256 1048864994 /nfs/dbraw/zinc/86/49/94/1048864994.db2.gz FKRZBTSSGWTMIS-SFHVURJKSA-N 1 0 334.463 4.127 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)N1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001171231004 1048869752 /nfs/dbraw/zinc/86/97/52/1048869752.db2.gz ZPVBQANRMAZJMF-YWZLYKJASA-N 1 0 340.854 4.216 20 30 EIEDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171231956 1048870769 /nfs/dbraw/zinc/87/07/69/1048870769.db2.gz OQQNDIZUNJIAED-KKSFZXQISA-N 1 0 348.446 4.113 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1c2ccc(F)cc2c2c1C[NH2+]CC2 ZINC001171231169 1048870938 /nfs/dbraw/zinc/87/09/38/1048870938.db2.gz HONBPGJSXGZDFJ-CQSZACIVSA-N 1 0 333.410 4.101 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC(=O)c3ccccc32)CC1 ZINC001171231505 1048870996 /nfs/dbraw/zinc/87/09/96/1048870996.db2.gz KIAGMURFKRTWMO-KRWDZBQOSA-N 1 0 344.458 4.109 20 30 EIEDRO CCCCCCCC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000772948714 1048885542 /nfs/dbraw/zinc/88/55/42/1048885542.db2.gz KIJGKXKKWPPADB-OAHLLOKOSA-N 1 0 326.506 4.069 20 30 EIEDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000817407384 1048960083 /nfs/dbraw/zinc/96/00/83/1048960083.db2.gz LVDTVBDGPPMLCO-UHFFFAOYSA-N 1 0 337.442 4.223 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817413141 1048963775 /nfs/dbraw/zinc/96/37/75/1048963775.db2.gz URNKJOLRMXPEMF-INIZCTEOSA-N 1 0 339.405 4.201 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817412015 1048964493 /nfs/dbraw/zinc/96/44/93/1048964493.db2.gz BDDVNEYUHYWQNY-ZFWWWQNUSA-N 1 0 326.362 4.142 20 30 EIEDRO N#CC1(c2ccc(Nc3ccc(OCC[NH+]4CCCC4)cc3)cc2)CC1 ZINC001212256256 1049001027 /nfs/dbraw/zinc/00/10/27/1049001027.db2.gz PLZLSUSXKFFYHP-UHFFFAOYSA-N 1 0 347.462 4.460 20 30 EIEDRO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001171265771 1049001287 /nfs/dbraw/zinc/00/12/87/1049001287.db2.gz AKUOJVKBVLHIQV-CJNGLKHVSA-N 1 0 348.874 4.011 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC001146227511 1049010419 /nfs/dbraw/zinc/01/04/19/1049010419.db2.gz YSEDJJNDRYJVAJ-UHFFFAOYSA-N 1 0 328.500 4.281 20 30 EIEDRO CC(C)c1ccc([C@H](N)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817954544 1049067272 /nfs/dbraw/zinc/06/72/72/1049067272.db2.gz YNGYNOCMEHWTIY-HRAATJIYSA-N 1 0 337.467 4.063 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000818224658 1049118388 /nfs/dbraw/zinc/11/83/88/1049118388.db2.gz OIZGTKJBFPCBKA-PXNSSMCTSA-N 1 0 342.508 4.065 20 30 EIEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000135345713 1049124637 /nfs/dbraw/zinc/12/46/37/1049124637.db2.gz WRAYENQMRQUXJY-DOTOQJQBSA-N 1 0 345.512 4.141 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000818346950 1049127512 /nfs/dbraw/zinc/12/75/12/1049127512.db2.gz LDZWOBSBBIHYIH-XBFCOCLRSA-N 1 0 343.439 4.252 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccco1 ZINC000818342048 1049134312 /nfs/dbraw/zinc/13/43/12/1049134312.db2.gz KTKZUJKJXMXBAO-FXAWDEMLSA-N 1 0 340.467 4.412 20 30 EIEDRO N#Cc1ccc(-c2ccc(-n3c(CC[NH3+])cc4ccccc43)cc2)o1 ZINC001171304082 1049149716 /nfs/dbraw/zinc/14/97/16/1049149716.db2.gz DHPATRKKDRAVGE-UHFFFAOYSA-N 1 0 327.387 4.263 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000772982688 1049171434 /nfs/dbraw/zinc/17/14/34/1049171434.db2.gz FEWVZCAGMRDCOH-RBUKOAKNSA-N 1 0 340.854 4.278 20 30 EIEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CCc2cccc(Cl)c2C1 ZINC001170908115 1049174281 /nfs/dbraw/zinc/17/42/81/1049174281.db2.gz LVJLSWNYKCPOQU-KRWDZBQOSA-N 1 0 349.865 4.398 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000772982593 1049185284 /nfs/dbraw/zinc/18/52/84/1049185284.db2.gz DRFBDESCEJSPPF-IBGZPJMESA-N 1 0 342.483 4.197 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000772983457 1049196429 /nfs/dbraw/zinc/19/64/29/1049196429.db2.gz KINBHJUSJRSAHD-DNVCBOLYSA-N 1 0 336.435 4.153 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2C(C)C)ccc1OC ZINC000772983900 1049215061 /nfs/dbraw/zinc/21/50/61/1049215061.db2.gz ASWZIVWSNOMVDM-FGTMMUONSA-N 1 0 330.472 4.290 20 30 EIEDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1c(Cl)cccc1Cl ZINC000818998502 1049229694 /nfs/dbraw/zinc/22/96/94/1049229694.db2.gz HUMYQZDJOOJKJA-SJKOYZFVSA-N 1 0 349.261 4.292 20 30 EIEDRO C[NH+](C)C1(CNc2nc(C(F)(F)F)ccc2C#N)CCCCCC1 ZINC000609669007 1049253919 /nfs/dbraw/zinc/25/39/19/1049253919.db2.gz QZRRDWUKQNYNLP-UHFFFAOYSA-N 1 0 340.393 4.039 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc2c(c1)CCCO2 ZINC000772987583 1049272030 /nfs/dbraw/zinc/27/20/30/1049272030.db2.gz LFLDCNKHTFSZDJ-FQEVSTJZSA-N 1 0 335.447 4.265 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1 ZINC000609736725 1049304009 /nfs/dbraw/zinc/30/40/09/1049304009.db2.gz NIHZUTWBUXFBDQ-DYESRHJHSA-N 1 0 341.499 4.121 20 30 EIEDRO C=CCOc1ccc(C(=O)N2CCC[C@H]([NH3+])c3cc(C)ccc32)cc1 ZINC001148467835 1049319174 /nfs/dbraw/zinc/31/91/74/1049319174.db2.gz BZQJAGCTIRFIKH-IBGZPJMESA-N 1 0 336.435 4.000 20 30 EIEDRO CCCCCCCCCCN(C)C(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001148647089 1049343652 /nfs/dbraw/zinc/34/36/52/1049343652.db2.gz ZBNTYSRWOOAONQ-UHFFFAOYSA-N 1 0 332.492 4.205 20 30 EIEDRO CC(C)([NH2+][C@H]1CCc2c(F)cc(F)cc2C1)c1ccc(C#N)cc1 ZINC001171339686 1049388213 /nfs/dbraw/zinc/38/82/13/1049388213.db2.gz GFCFNVZRWCRNKS-KRWDZBQOSA-N 1 0 326.390 4.219 20 30 EIEDRO N#Cc1c(Cl)nsc1S[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000819933965 1049394850 /nfs/dbraw/zinc/39/48/50/1049394850.db2.gz FTOJEBRQJRFPHA-CYBMUJFWSA-N 1 0 349.912 4.425 20 30 EIEDRO C=CCCCCCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000812494990 1049496141 /nfs/dbraw/zinc/49/61/41/1049496141.db2.gz YUSYASNENWZMLS-LJQANCHMSA-N 1 0 335.536 4.173 20 30 EIEDRO CC[N@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1Cl ZINC000610132840 1049554230 /nfs/dbraw/zinc/55/42/30/1049554230.db2.gz REBKHKNQYDMIBL-UHFFFAOYSA-N 1 0 344.842 4.121 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)Nc1cc[nH+]c(NC(=O)CC)c1 ZINC001171376517 1049559073 /nfs/dbraw/zinc/55/90/73/1049559073.db2.gz YTKLQMRXNBTYHV-AWEZNQCLSA-N 1 0 325.412 4.168 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812744097 1049561276 /nfs/dbraw/zinc/56/12/76/1049561276.db2.gz ZKYPGFSAMCNNGN-SJLPKXTDSA-N 1 0 329.488 4.392 20 30 EIEDRO CCC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000773076732 1049565400 /nfs/dbraw/zinc/56/54/00/1049565400.db2.gz OPGHIYPJCZYATM-SFHVURJKSA-N 1 0 339.395 4.106 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2sc(C(C)C)nc2C)cc1C#N ZINC000773073567 1049565782 /nfs/dbraw/zinc/56/57/82/1049565782.db2.gz DGJRNEZXTRZGBO-GFCCVEGCSA-N 1 0 329.469 4.306 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(C)cc(Cl)n2)ccc1OC ZINC000282147888 1049568698 /nfs/dbraw/zinc/56/86/98/1049568698.db2.gz WRLQMBYUYUFOFI-UHFFFAOYSA-N 1 0 346.858 4.297 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cc(Cl)ccc1OC ZINC000773076318 1049569175 /nfs/dbraw/zinc/56/91/75/1049569175.db2.gz LUNPUQJSZHSWOW-KRWDZBQOSA-N 1 0 344.842 4.470 20 30 EIEDRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000773080007 1049572637 /nfs/dbraw/zinc/57/26/37/1049572637.db2.gz ZXFFLYBNVLGVKK-CYBMUJFWSA-N 1 0 344.842 4.470 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2cccc(Br)c2)c1 ZINC000821021520 1049587259 /nfs/dbraw/zinc/58/72/59/1049587259.db2.gz GZSYDWMZGVGZFT-KTKRTIGZSA-N 1 0 344.252 4.407 20 30 EIEDRO C=C[C@H](CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001136405706 1049588106 /nfs/dbraw/zinc/58/81/06/1049588106.db2.gz WPWMYQGBQYRLGL-GUDVDZBRSA-N 1 0 342.527 4.219 20 30 EIEDRO C#CC[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000773117777 1049589216 /nfs/dbraw/zinc/58/92/16/1049589216.db2.gz WRVCGUYBYHZMKP-HSZRJFAPSA-N 1 0 332.491 4.048 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000773114782 1049590399 /nfs/dbraw/zinc/59/03/99/1049590399.db2.gz JVCFZNALUCKLPE-VQTJNVASSA-N 1 0 337.463 4.379 20 30 EIEDRO C#C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1ccc(F)cc1 ZINC000812793832 1049592737 /nfs/dbraw/zinc/59/27/37/1049592737.db2.gz HBJYSSICYUPJBQ-IBGZPJMESA-N 1 0 344.380 4.037 20 30 EIEDRO CC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812848014 1049612137 /nfs/dbraw/zinc/61/21/37/1049612137.db2.gz HPNZDDYZNKRZMV-UTKZUKDTSA-N 1 0 336.479 4.432 20 30 EIEDRO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001133494660 1049620025 /nfs/dbraw/zinc/62/00/25/1049620025.db2.gz QIFKLTSFNKLEPR-KSZLIROESA-N 1 0 340.577 4.069 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000237581012 1049632130 /nfs/dbraw/zinc/63/21/30/1049632130.db2.gz OZWKWOQBFNHQNY-KGLIPLIRSA-N 1 0 346.377 4.430 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(Cc3ccccc3)CCC2)cc1 ZINC000237591891 1049638530 /nfs/dbraw/zinc/63/85/30/1049638530.db2.gz MFFOMDYSVCOQNZ-GOSISDBHSA-N 1 0 334.463 4.480 20 30 EIEDRO N#CCc1cccc(N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000716670536 1049702264 /nfs/dbraw/zinc/70/22/64/1049702264.db2.gz NMXLBVPSKJMWKP-NNWRFLSQSA-N 1 0 331.463 4.218 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCc2ccc(Br)cc2F)cc1 ZINC000237695842 1049705024 /nfs/dbraw/zinc/70/50/24/1049705024.db2.gz OWMDDJYTJZZNPC-UHFFFAOYSA-N 1 0 347.231 4.182 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000237702372 1049707577 /nfs/dbraw/zinc/70/75/77/1049707577.db2.gz GPIRCLZRPXTAKL-ZDUSSCGKSA-N 1 0 334.341 4.286 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000237704050 1049708162 /nfs/dbraw/zinc/70/81/62/1049708162.db2.gz LSKBBYAKVTUAFQ-KBPBESRZSA-N 1 0 346.377 4.430 20 30 EIEDRO N#CCCn1cc(C(=O)CN2CCC[C@@H]3CCC[C@H]32)c2ccccc21 ZINC000245409894 1049708354 /nfs/dbraw/zinc/70/83/54/1049708354.db2.gz OLTZURGVJOKTAR-QFBILLFUSA-N 1 0 335.451 4.002 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCSc2ccc(F)cc2)cc1 ZINC000237696348 1049713444 /nfs/dbraw/zinc/71/34/44/1049713444.db2.gz JXLHIRSGGYRMSP-HNNXBMFYSA-N 1 0 344.455 4.389 20 30 EIEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)C1 ZINC001171489317 1049717961 /nfs/dbraw/zinc/71/79/61/1049717961.db2.gz HILLDDIDSNQLDA-KRWDZBQOSA-N 1 0 337.463 4.460 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H]2CCc3cc(F)c(F)cc3C2)ccc1Cl ZINC001171471964 1049728238 /nfs/dbraw/zinc/72/82/38/1049728238.db2.gz KUQNKTPIKPWSAR-HNNXBMFYSA-N 1 0 332.781 4.137 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3cccc(F)c3C2)c(C(F)(F)F)c1 ZINC001170977283 1049731299 /nfs/dbraw/zinc/73/12/99/1049731299.db2.gz NTDNYZDTYYSFLI-HNNXBMFYSA-N 1 0 348.343 4.363 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(C)(C)S)C[C@@H]1C(C)(C)C ZINC001171589192 1049751844 /nfs/dbraw/zinc/75/18/44/1049751844.db2.gz LFDMLEXOAFUWJD-UONOGXRCSA-N 1 0 344.565 4.099 20 30 EIEDRO C[NH+]1C(C)(C)CC(N[C@](C)(C#N)c2ccccc2Cl)CC1(C)C ZINC001171623335 1049768035 /nfs/dbraw/zinc/76/80/35/1049768035.db2.gz UTIPEEIGTVYLJQ-LJQANCHMSA-N 1 0 333.907 4.320 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCSc2ccccc2)c1 ZINC000237819434 1049776251 /nfs/dbraw/zinc/77/62/51/1049776251.db2.gz WBGPYOZWVVQKDE-UHFFFAOYSA-N 1 0 326.465 4.251 20 30 EIEDRO C[C@H]1C[C@@H]([NH2+]C(C)(C)c2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171725966 1049785550 /nfs/dbraw/zinc/78/55/50/1049785550.db2.gz QQMDUZHMFVRAOD-LAUBAEHRSA-N 1 0 333.479 4.046 20 30 EIEDRO C[C@]1(c2cccc(F)c2)CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001171771992 1049794500 /nfs/dbraw/zinc/79/45/00/1049794500.db2.gz LCSMNIJSJXXAMX-NRFANRHFSA-N 1 0 338.426 4.130 20 30 EIEDRO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1F ZINC001171827389 1049802914 /nfs/dbraw/zinc/80/29/14/1049802914.db2.gz OAPPSWKBQQSCOF-KUHUBIRLSA-N 1 0 339.414 4.011 20 30 EIEDRO CC[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171810986 1049809354 /nfs/dbraw/zinc/80/93/54/1049809354.db2.gz FMDAQGKBJTZHGU-BJWYYQGGSA-N 1 0 349.519 4.227 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC)c1ccncc1 ZINC000747872335 1049811722 /nfs/dbraw/zinc/81/17/22/1049811722.db2.gz WPSOFKGAFPKKLA-IFXJQAMLSA-N 1 0 339.439 4.017 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842150 1049812195 /nfs/dbraw/zinc/81/21/95/1049812195.db2.gz ZLASBTWCSJZVAS-YJBOKZPZSA-N 1 0 334.891 4.195 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC001171920953 1049816045 /nfs/dbraw/zinc/81/60/45/1049816045.db2.gz PFMADIDUCDDEBE-WMLDXEAASA-N 1 0 344.890 4.360 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC001171920956 1049816702 /nfs/dbraw/zinc/81/67/02/1049816702.db2.gz PFMADIDUCDDEBE-YOEHRIQHSA-N 1 0 344.890 4.360 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171900281 1049817066 /nfs/dbraw/zinc/81/70/66/1049817066.db2.gz RRDDMZFGAMAQJE-JOCHJYFZSA-N 1 0 348.490 4.370 20 30 EIEDRO CC(C)(C)OC(=O)C1CCC([NH2+]C23CCC(C#N)(CC2)CC3)CC1 ZINC001171914442 1049819087 /nfs/dbraw/zinc/81/90/87/1049819087.db2.gz ZRQAQINEIIYZJB-UHFFFAOYSA-N 1 0 332.488 4.093 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@@H]3CCc4cccc(F)c4C3)CC2)cc1 ZINC001171005626 1049819545 /nfs/dbraw/zinc/81/95/45/1049819545.db2.gz PSCGJFRDKNJDOD-HXUWFJFHSA-N 1 0 334.438 4.434 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccccc1OC(F)F ZINC000615966681 1049823384 /nfs/dbraw/zinc/82/33/84/1049823384.db2.gz HGXZZLNMYQSBNJ-GOSISDBHSA-N 1 0 342.389 4.369 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC000813879932 1049830694 /nfs/dbraw/zinc/83/06/94/1049830694.db2.gz SUPHYTQHIHWMCY-IAGOWNOFSA-N 1 0 334.504 4.110 20 30 EIEDRO C=CC[NH+](CC=C)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171996059 1049832941 /nfs/dbraw/zinc/83/29/41/1049832941.db2.gz DRZLVNZFFSPECA-UHFFFAOYSA-N 1 0 335.289 4.092 20 30 EIEDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000180090140 1049842309 /nfs/dbraw/zinc/84/23/09/1049842309.db2.gz RXNXTJOPILUNFF-QGZVFWFLSA-N 1 0 341.480 4.244 20 30 EIEDRO CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(CC#N)CCCC1)C2 ZINC001172091338 1049848697 /nfs/dbraw/zinc/84/86/97/1049848697.db2.gz TVOBLFOMQHIPKZ-OSYLJGHBSA-N 1 0 347.503 4.123 20 30 EIEDRO CCCC[N@H+](CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172094057 1049849075 /nfs/dbraw/zinc/84/90/75/1049849075.db2.gz JDVYKWRJAYQHDE-BCDXTJNWSA-N 1 0 349.519 4.323 20 30 EIEDRO N#Cc1cccc(OCCC[NH2+][C@@H]2CCc3c(Cl)cccc3C2)c1 ZINC001171023066 1049867486 /nfs/dbraw/zinc/86/74/86/1049867486.db2.gz SRPMMNKXKSEEFK-QGZVFWFLSA-N 1 0 340.854 4.128 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2ccc(N3CCCCC3)cc2)CC1 ZINC000823684352 1049868503 /nfs/dbraw/zinc/86/85/03/1049868503.db2.gz UHJWAWMFHDYKEO-UHFFFAOYSA-N 1 0 325.500 4.281 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC001172302006 1049872995 /nfs/dbraw/zinc/87/29/95/1049872995.db2.gz BVZUZKYJEAEQJE-VGSWGCGISA-N 1 0 327.431 4.263 20 30 EIEDRO COc1cccc(CC2([NH2+][C@H](C)Cc3ccc(C#N)cc3)CCC2)c1 ZINC001172300494 1049873052 /nfs/dbraw/zinc/87/30/52/1049873052.db2.gz WZSQCWYESSEXFD-QGZVFWFLSA-N 1 0 334.463 4.253 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC001172301423 1049873206 /nfs/dbraw/zinc/87/32/06/1049873206.db2.gz OHEYGSDXQFMCPX-CQSZACIVSA-N 1 0 348.368 4.220 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001172304322 1049873600 /nfs/dbraw/zinc/87/36/00/1049873600.db2.gz JNIQQKCHQOQDSN-CYBMUJFWSA-N 1 0 343.352 4.170 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001172306203 1049873706 /nfs/dbraw/zinc/87/37/06/1049873706.db2.gz JEJJCDOHMSZHKY-INIZCTEOSA-N 1 0 338.426 4.172 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC001172305598 1049873894 /nfs/dbraw/zinc/87/38/94/1049873894.db2.gz FIYOMBSXKDAIGT-KRWDZBQOSA-N 1 0 332.447 4.011 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(COc2ccccc2)CC1 ZINC001172308413 1049874672 /nfs/dbraw/zinc/87/46/72/1049874672.db2.gz XVBBFOOYVJUMDY-GOSISDBHSA-N 1 0 334.463 4.280 20 30 EIEDRO CC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001172308501 1049874927 /nfs/dbraw/zinc/87/49/27/1049874927.db2.gz KWLONSJADIWGJR-MSOLQXFVSA-N 1 0 336.479 4.451 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001172313098 1049875815 /nfs/dbraw/zinc/87/58/15/1049875815.db2.gz PAIDQCRGGZZOSQ-AUSIDOKSSA-N 1 0 347.506 4.086 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001172318755 1049876384 /nfs/dbraw/zinc/87/63/84/1049876384.db2.gz IAFGRDWPNDPAJO-XMSQKQJNSA-N 1 0 334.463 4.170 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001172318753 1049876732 /nfs/dbraw/zinc/87/67/32/1049876732.db2.gz IAFGRDWPNDPAJO-PGRDOPGGSA-N 1 0 334.463 4.170 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC001172289294 1049880681 /nfs/dbraw/zinc/88/06/81/1049880681.db2.gz BGCLQNSJUQWTPD-ZDUSSCGKSA-N 1 0 334.341 4.178 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC001172290427 1049880976 /nfs/dbraw/zinc/88/09/76/1049880976.db2.gz PNELQGMVLVCOPS-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCOc1cccc(Cl)c1 ZINC001172290415 1049881010 /nfs/dbraw/zinc/88/10/10/1049881010.db2.gz PKQYWGZKXZLFMR-HNNXBMFYSA-N 1 0 328.843 4.201 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)Nc1ccc(C[NH3+])cc1C(F)(F)F ZINC001172297401 1049882970 /nfs/dbraw/zinc/88/29/70/1049882970.db2.gz PCBGYZPCKDWECW-LBPRGKRZSA-N 1 0 333.357 4.079 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001172347807 1049891418 /nfs/dbraw/zinc/89/14/18/1049891418.db2.gz ZJBURPVCSOFCQF-GOSISDBHSA-N 1 0 337.552 4.395 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)Cc2ccsc21 ZINC001172478858 1049910413 /nfs/dbraw/zinc/91/04/13/1049910413.db2.gz FFHPMFJXUQAPFV-HIFRSBDPSA-N 1 0 349.500 4.212 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001172487429 1049910874 /nfs/dbraw/zinc/91/08/74/1049910874.db2.gz BBFGPBAFGKPAFW-HNNXBMFYSA-N 1 0 343.471 4.156 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1(c2ccccc2C(F)(F)F)CCOCC1 ZINC001172486503 1049911473 /nfs/dbraw/zinc/91/14/73/1049911473.db2.gz FPKAPVWQLNKGAJ-CQSZACIVSA-N 1 0 340.389 4.383 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(Cl)c2)CC1 ZINC001172487736 1049920614 /nfs/dbraw/zinc/92/06/14/1049920614.db2.gz MZLVOTDWAKREGZ-ZTFGCOKTSA-N 1 0 347.890 4.053 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@]2(CCCN2C(=O)OC(C)(C)C)CC1 ZINC001172495743 1049922270 /nfs/dbraw/zinc/92/22/70/1049922270.db2.gz HHQXDRGDPNKADN-YLJYHZDGSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCN(c2ccc(C(F)(F)F)cc2F)CC1 ZINC001172498629 1049922747 /nfs/dbraw/zinc/92/27/47/1049922747.db2.gz OUCUGNYSNCXINZ-ZDUSSCGKSA-N 1 0 343.368 4.049 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001172499358 1049922914 /nfs/dbraw/zinc/92/29/14/1049922914.db2.gz CZLMONIWGXTAQW-GOSISDBHSA-N 1 0 327.516 4.184 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@@H]21 ZINC001172500837 1049922970 /nfs/dbraw/zinc/92/29/70/1049922970.db2.gz AXFLRJBYRWFVKS-HOTGVXAUSA-N 1 0 333.476 4.058 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCc2c(ccc(=O)n2C)C1 ZINC001172500678 1049923104 /nfs/dbraw/zinc/92/31/04/1049923104.db2.gz CEFCQLKXQYPEKP-RBUKOAKNSA-N 1 0 332.532 4.361 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CCc2c(ccc(=O)n2C)C1 ZINC001172500676 1049923428 /nfs/dbraw/zinc/92/34/28/1049923428.db2.gz CEFCQLKXQYPEKP-MOPGFXCFSA-N 1 0 332.532 4.361 20 30 EIEDRO CCCCCCCC[C@@H](CC)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001172503775 1049924278 /nfs/dbraw/zinc/92/42/78/1049924278.db2.gz ASJCFAMLVIFXFR-WOJBJXKFSA-N 1 0 348.579 4.406 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001172509226 1049925280 /nfs/dbraw/zinc/92/52/80/1049925280.db2.gz UFLCBNADXVQVCJ-WOJBJXKFSA-N 1 0 345.531 4.415 20 30 EIEDRO C[C@H](CCCC#N)[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001172510133 1049925367 /nfs/dbraw/zinc/92/53/67/1049925367.db2.gz VYRXQUWUFNIIHQ-QGZVFWFLSA-N 1 0 345.487 4.096 20 30 EIEDRO C[C@H](CCCC#N)[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001172509366 1049926049 /nfs/dbraw/zinc/92/60/49/1049926049.db2.gz KKUIIOGPTREFKT-IAGOWNOFSA-N 1 0 349.519 4.180 20 30 EIEDRO C[C@@H](CCCC#N)[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001172510132 1049926136 /nfs/dbraw/zinc/92/61/36/1049926136.db2.gz VYRXQUWUFNIIHQ-KRWDZBQOSA-N 1 0 345.487 4.096 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC(OCC(=O)NCC)CC1 ZINC001172511432 1049926648 /nfs/dbraw/zinc/92/66/48/1049926648.db2.gz QULPIYKEFJGZEK-GOSISDBHSA-N 1 0 340.552 4.133 20 30 EIEDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001172569242 1049938065 /nfs/dbraw/zinc/93/80/65/1049938065.db2.gz WXQYBFMGCFZAIR-NSHDSACASA-N 1 0 347.796 4.216 20 30 EIEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172549112 1049947913 /nfs/dbraw/zinc/94/79/13/1049947913.db2.gz MPLDTCQEMWZCDN-VAMGGRTRSA-N 1 0 342.483 4.089 20 30 EIEDRO C=CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccc(F)cc2C)C1 ZINC001172582374 1049952963 /nfs/dbraw/zinc/95/29/63/1049952963.db2.gz ZNJOMSRXGUSBBF-WMZOPIPTSA-N 1 0 348.462 4.350 20 30 EIEDRO C#CC1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C2)CC1 ZINC001172645248 1049955142 /nfs/dbraw/zinc/95/51/42/1049955142.db2.gz LKKYULBPEYQMQS-OALUTQOASA-N 1 0 348.531 4.290 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172675615 1049963191 /nfs/dbraw/zinc/96/31/91/1049963191.db2.gz IAYANEQCKVMNTB-QFIPXVFZSA-N 1 0 348.490 4.256 20 30 EIEDRO CC(C)[N@H+](CC(=O)c1c[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000069071203 1049964097 /nfs/dbraw/zinc/96/40/97/1049964097.db2.gz CJUUGWVCRBYNAM-UHFFFAOYSA-N 1 0 331.419 4.133 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(F)c1 ZINC000181066020 1049982973 /nfs/dbraw/zinc/98/29/73/1049982973.db2.gz AYUCGVAWNVVWLK-INIZCTEOSA-N 1 0 345.443 4.074 20 30 EIEDRO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249029764 1050088603 /nfs/dbraw/zinc/08/86/03/1050088603.db2.gz BBLDTCZMEKFABW-FBBABVLZSA-N 1 0 328.500 4.100 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000089555917 1050121465 /nfs/dbraw/zinc/12/14/65/1050121465.db2.gz AGKICLLAHHJKDD-MRXNPFEDSA-N 1 0 331.847 4.267 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC001177180632 1050164605 /nfs/dbraw/zinc/16/46/05/1050164605.db2.gz BIGJIPUEURHVRH-UWVAXJGDSA-N 1 0 348.918 4.048 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3F)CC2)cc1Cl ZINC001203353881 1050182083 /nfs/dbraw/zinc/18/20/83/1050182083.db2.gz QNEAVCNYBVUWNA-UHFFFAOYSA-N 1 0 344.817 4.394 20 30 EIEDRO C=CCCOCC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000090883979 1050214796 /nfs/dbraw/zinc/21/47/96/1050214796.db2.gz SIEJVKNCGIYGAP-AWEZNQCLSA-N 1 0 346.496 4.370 20 30 EIEDRO CCCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181581169 1050219888 /nfs/dbraw/zinc/21/98/88/1050219888.db2.gz ILYOUZXCDAHTDU-INIZCTEOSA-N 1 0 339.439 4.014 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3onc(C(C)(C)C)c3C#N)cc2)CC1 ZINC001212689253 1050230469 /nfs/dbraw/zinc/23/04/69/1050230469.db2.gz UTZKVTBXACPPEI-UHFFFAOYSA-N 1 0 338.455 4.397 20 30 EIEDRO C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000181604439 1050250128 /nfs/dbraw/zinc/25/01/28/1050250128.db2.gz MJAZXZSHKSYMAS-CQSZACIVSA-N 1 0 341.842 4.281 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(C)(C)CC2CCC2)C[C@H]1C#N ZINC001172974430 1050250812 /nfs/dbraw/zinc/25/08/12/1050250812.db2.gz PIRHPLWXCACKST-IRXDYDNUSA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000181604421 1050251794 /nfs/dbraw/zinc/25/17/94/1050251794.db2.gz MJAZXZSHKSYMAS-AWEZNQCLSA-N 1 0 341.842 4.281 20 30 EIEDRO CC(C)C1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172982332 1050253428 /nfs/dbraw/zinc/25/34/28/1050253428.db2.gz XCOARKWDQODUGW-HIEASXQVSA-N 1 0 349.519 4.082 20 30 EIEDRO C#CCCC1(CC[NH2+][C@@H](C)Cc2ccc(OC(F)(F)F)cc2)N=N1 ZINC001173091272 1050283696 /nfs/dbraw/zinc/28/36/96/1050283696.db2.gz RNGOXGRPDDKAHB-ZDUSSCGKSA-N 1 0 339.361 4.071 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C1(CC#N)CCCC1 ZINC001173091034 1050283928 /nfs/dbraw/zinc/28/39/28/1050283928.db2.gz OKGUWZBAHRFTPA-CYBMUJFWSA-N 1 0 326.362 4.332 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC#Cc1ccccc1 ZINC001173080787 1050295594 /nfs/dbraw/zinc/29/55/94/1050295594.db2.gz WDEZMROIDQRIHM-OAHLLOKOSA-N 1 0 333.353 4.158 20 30 EIEDRO N#CC(CC[N@H+]1CC[C@@H](C(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000618291154 1050330305 /nfs/dbraw/zinc/33/03/05/1050330305.db2.gz OXYVAHCPIDVVPG-QGZVFWFLSA-N 1 0 340.417 4.473 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181773014 1050332895 /nfs/dbraw/zinc/33/28/95/1050332895.db2.gz MXFCPPSCFJOLRA-WDYCEAGBSA-N 1 0 330.472 4.081 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000181807672 1050339614 /nfs/dbraw/zinc/33/96/14/1050339614.db2.gz UENOXICCMUBRLD-QGZVFWFLSA-N 1 0 325.500 4.081 20 30 EIEDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001173226593 1050358020 /nfs/dbraw/zinc/35/80/20/1050358020.db2.gz MTHVBRQQMJKMCA-KRWDZBQOSA-N 1 0 349.434 4.083 20 30 EIEDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001173231860 1050360084 /nfs/dbraw/zinc/36/00/84/1050360084.db2.gz OASIFNPCBRNWKE-MRXNPFEDSA-N 1 0 349.434 4.277 20 30 EIEDRO Cc1cc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)ncc1C#N ZINC001186564508 1050360979 /nfs/dbraw/zinc/36/09/79/1050360979.db2.gz BPFMPYBGYHKWOH-SEJPIABJSA-N 1 0 346.478 4.259 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(C#N)c1 ZINC000181866513 1050366827 /nfs/dbraw/zinc/36/68/27/1050366827.db2.gz VXFZWEZDKSJFRB-KBXCAEBGSA-N 1 0 325.843 4.141 20 30 EIEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1[C@H](CCCC)CC(C)C ZINC001173254942 1050379071 /nfs/dbraw/zinc/37/90/71/1050379071.db2.gz JGJONSOWSQEOLT-IEBWSBKVSA-N 1 0 333.520 4.127 20 30 EIEDRO C=C(C)COCC[NH2+]Cc1ccccc1Oc1ccc(C)cc1OC ZINC001178148306 1050389435 /nfs/dbraw/zinc/38/94/35/1050389435.db2.gz MUBSWEKBBBFECU-UHFFFAOYSA-N 1 0 341.451 4.478 20 30 EIEDRO CCCCCCCC[C@@H](CCC)[NH2+]Cc1nnc(C(=O)OCC)o1 ZINC001173309245 1050403280 /nfs/dbraw/zinc/40/32/80/1050403280.db2.gz GMRHKJPJZHCQQJ-OAHLLOKOSA-N 1 0 339.480 4.255 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC001173313038 1050405861 /nfs/dbraw/zinc/40/58/61/1050405861.db2.gz QKJMIQRHPSNTBP-UHFFFAOYSA-N 1 0 345.483 4.245 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC001173313635 1050406253 /nfs/dbraw/zinc/40/62/53/1050406253.db2.gz CIOHXIGBKQLDLS-XVAXZDLZSA-N 1 0 347.474 4.397 20 30 EIEDRO C=CCOC1CCC([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC001173313628 1050407047 /nfs/dbraw/zinc/40/70/47/1050407047.db2.gz CGKWGYZGVMOERL-WIXQSORDSA-N 1 0 347.474 4.397 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001173322223 1050414406 /nfs/dbraw/zinc/41/44/06/1050414406.db2.gz ZCIPDSMAIYQBLE-AOMIVXANSA-N 1 0 336.479 4.407 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(OCc2cccnc2)cc1 ZINC000618562540 1050416723 /nfs/dbraw/zinc/41/67/23/1050416723.db2.gz CIVJDJZVGPBCRK-ZWOKBUDYSA-N 1 0 335.451 4.394 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1 ZINC000618569071 1050417843 /nfs/dbraw/zinc/41/78/43/1050417843.db2.gz CZNKROVZTAXGFQ-RTWAWAEBSA-N 1 0 330.435 4.237 20 30 EIEDRO C=CCOC1CCC([NH+]2CC3(CC(OCc4ccccc4)C3)C2)CC1 ZINC001173326991 1050418047 /nfs/dbraw/zinc/41/80/47/1050418047.db2.gz YWNKZXPCKPTIHC-UHFFFAOYSA-N 1 0 341.495 4.181 20 30 EIEDRO CC[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000618570157 1050418948 /nfs/dbraw/zinc/41/89/48/1050418948.db2.gz UMRDCNNLMYEHMT-NRFANRHFSA-N 1 0 348.425 4.166 20 30 EIEDRO COC(=O)C[C@H]([NH2+]C1CCC(CC#N)CC1)c1ccc(Cl)cc1 ZINC001173329460 1050419917 /nfs/dbraw/zinc/41/99/17/1050419917.db2.gz IKYFSZGNUSMCGH-IMRCBTMISA-N 1 0 334.847 4.006 20 30 EIEDRO N#CCC1CCC([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC001173330815 1050420383 /nfs/dbraw/zinc/42/03/83/1050420383.db2.gz WGJJVUFDCYXKKR-RGKRWLCDSA-N 1 0 330.447 4.355 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(CC[NH2+]C2CCC(CC#N)CC2)cc1 ZINC001173328671 1050420719 /nfs/dbraw/zinc/42/07/19/1050420719.db2.gz JCFAJUUNIXEXNU-UHFFFAOYSA-N 1 0 342.483 4.246 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(CC#N)CC1)C(=O)Nc1ccc2ccccc2c1 ZINC001173329540 1050420777 /nfs/dbraw/zinc/42/07/77/1050420777.db2.gz GBOOSUIFUZRRGB-MDCZIUGASA-N 1 0 335.451 4.229 20 30 EIEDRO N#CCC1CCC(n2c3ccc(F)cc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001173333278 1050422223 /nfs/dbraw/zinc/42/22/23/1050422223.db2.gz GDUCIFRQRRMAIN-OGVSOVDVSA-N 1 0 325.431 4.241 20 30 EIEDRO CN(C[C@H]1CCC[N@@H+](C2CCC(CC#N)CC2)C1)C(=O)OC(C)(C)C ZINC001173331004 1050422578 /nfs/dbraw/zinc/42/25/78/1050422578.db2.gz JIHUFJUIXZFYLO-LXPRWKDFSA-N 1 0 349.519 4.038 20 30 EIEDRO COc1cccc(CC2CC[NH+](C3CCC(CC#N)CC3)CC2)c1 ZINC001173336980 1050424298 /nfs/dbraw/zinc/42/42/98/1050424298.db2.gz UDIYZWSMKZDCAJ-UHFFFAOYSA-N 1 0 326.484 4.422 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000618577524 1050427278 /nfs/dbraw/zinc/42/72/78/1050427278.db2.gz KVRDHYXRSOESTQ-SNPRPXQTSA-N 1 0 338.282 4.244 20 30 EIEDRO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)C1CCC(CC#N)CC1 ZINC001173337299 1050428185 /nfs/dbraw/zinc/42/81/85/1050428185.db2.gz FXXSTJWHZPDBBC-LRYGQEGESA-N 1 0 330.472 4.005 20 30 EIEDRO C=CCOC1CCC(n2c3ccc(F)cc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001173316330 1050438450 /nfs/dbraw/zinc/43/84/50/1050438450.db2.gz GRMTUTYXWBIJSQ-GTPINHCMSA-N 1 0 342.458 4.283 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2c(OC)cccc2C(F)(F)F)CC1 ZINC001173315119 1050439490 /nfs/dbraw/zinc/43/94/90/1050439490.db2.gz IACTYUWKPOTCFX-UHFFFAOYSA-N 1 0 343.389 4.317 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)CC1 ZINC001173320084 1050440467 /nfs/dbraw/zinc/44/04/67/1050440467.db2.gz HQRUAONYXWVOFN-GRERDSQWSA-N 1 0 329.484 4.352 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC001173317816 1050441261 /nfs/dbraw/zinc/44/12/61/1050441261.db2.gz JONXGUNCRUSVQD-UHFFFAOYSA-N 1 0 342.252 4.192 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(Oc3ccccn3)cc2)CC1 ZINC001173319106 1050441654 /nfs/dbraw/zinc/44/16/54/1050441654.db2.gz YMCLWXBBLUVPSU-UHFFFAOYSA-N 1 0 338.451 4.477 20 30 EIEDRO C=CCOC1CCC([NH2+]C2(Cc3cccc(OC)c3)CCC2)CC1 ZINC001173317701 1050441711 /nfs/dbraw/zinc/44/17/11/1050441711.db2.gz NWVDKSPCEPIMHX-UHFFFAOYSA-N 1 0 329.484 4.264 20 30 EIEDRO C=C(C)CNC(=O)C[C@@H]1C[N@H+](C(c2ccccc2)c2ccccc2)[C@H]1C ZINC001186946121 1050449706 /nfs/dbraw/zinc/44/97/06/1050449706.db2.gz BVAMIDGAACYVFS-GHTZIAJQSA-N 1 0 348.490 4.179 20 30 EIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)[C@H]1OC ZINC001178360664 1050453654 /nfs/dbraw/zinc/45/36/54/1050453654.db2.gz OIZAQEJIXQHWGI-KFKAGJAMSA-N 1 0 328.500 4.417 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000182082518 1050457127 /nfs/dbraw/zinc/45/71/27/1050457127.db2.gz GGNOXDONNKRGNK-IRXDYDNUSA-N 1 0 338.451 4.127 20 30 EIEDRO C#C[C@H]([NH2+]Cc1ccc(-c2ccccc2Cl)s1)[C@@H]1CCCO1 ZINC001178527649 1050491624 /nfs/dbraw/zinc/49/16/24/1050491624.db2.gz DOGGQQWEJCAODP-IRXDYDNUSA-N 1 0 331.868 4.339 20 30 EIEDRO N#Cc1cc(C[NH2+]CC2(c3ccc(F)cc3F)CCCC2)cs1 ZINC001178528892 1050492754 /nfs/dbraw/zinc/49/27/54/1050492754.db2.gz SAYZFOLZUYOXLD-UHFFFAOYSA-N 1 0 332.419 4.500 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173590379 1050494328 /nfs/dbraw/zinc/49/43/28/1050494328.db2.gz HPLIVJWVEUATGW-LFDOHDQPSA-N 1 0 349.519 4.084 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2cc(C(F)(F)F)ccc2F)CC1 ZINC001173590781 1050494629 /nfs/dbraw/zinc/49/46/29/1050494629.db2.gz NCLLLBMZVKKHII-UHFFFAOYSA-N 1 0 328.353 4.449 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cncn2Cc2ccccc2Cl)CC1 ZINC001173591510 1050495163 /nfs/dbraw/zinc/49/51/63/1050495163.db2.gz SQRDHKYCOCNEEE-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO Cc1ccc(F)cc1CN1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173591456 1050495443 /nfs/dbraw/zinc/49/54/43/1050495443.db2.gz KGUAOHUHUICLHK-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO COc1ccccc1CC1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173594294 1050497553 /nfs/dbraw/zinc/49/75/53/1050497553.db2.gz YLZLBUZBOHVXSQ-UHFFFAOYSA-N 1 0 326.484 4.422 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC(Oc3cccc(Cl)n3)CC2)CC1 ZINC001173597689 1050499186 /nfs/dbraw/zinc/49/91/86/1050499186.db2.gz GJERNMOUTHKIJN-UHFFFAOYSA-N 1 0 333.863 4.051 20 30 EIEDRO C[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173599123 1050499525 /nfs/dbraw/zinc/49/95/25/1050499525.db2.gz ZXNQAVXWUKRJEH-VXESANQCSA-N 1 0 349.519 4.038 20 30 EIEDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2C2CCC(C)(C#N)CC2)c1 ZINC001173597502 1050500143 /nfs/dbraw/zinc/50/01/43/1050500143.db2.gz WHFFUOCYSYQCDB-FDYSRKEFSA-N 1 0 326.440 4.083 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1Br ZINC000618741670 1050500922 /nfs/dbraw/zinc/50/09/22/1050500922.db2.gz JUYMMPNLHRVDKQ-QGZVFWFLSA-N 1 0 327.225 4.098 20 30 EIEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001178590198 1050502005 /nfs/dbraw/zinc/50/20/05/1050502005.db2.gz ZOYLCNQPJRDOMR-NRFANRHFSA-N 1 0 339.479 4.217 20 30 EIEDRO C[N@H+](C1CCC(C)(C#N)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001173600599 1050502981 /nfs/dbraw/zinc/50/29/81/1050502981.db2.gz GFFXFUBGMSKSPX-GQOXECLESA-N 1 0 349.519 4.180 20 30 EIEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618802333 1050522108 /nfs/dbraw/zinc/52/21/08/1050522108.db2.gz DJEBMWQTYPUKMA-BTYIYWSLSA-N 1 0 347.462 4.115 20 30 EIEDRO CC(C)C[C@](C)(C#N)NC1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173680050 1050527164 /nfs/dbraw/zinc/52/71/64/1050527164.db2.gz MHOGFWAAAZWRLM-SPYBWZPUSA-N 1 0 337.508 4.081 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618805306 1050532974 /nfs/dbraw/zinc/53/29/74/1050532974.db2.gz GAIPHZGJGTXYMP-VQTJNVASSA-N 1 0 333.391 4.121 20 30 EIEDRO CCOC(=O)C[C@H]1CC[C@@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001173646377 1050533151 /nfs/dbraw/zinc/53/31/51/1050533151.db2.gz YVKOUFBRBOBWOU-PKOBYXMFSA-N 1 0 334.504 4.437 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1 ZINC000618803151 1050534012 /nfs/dbraw/zinc/53/40/12/1050534012.db2.gz GRHFJDKVFCCLCW-QVKFZJNVSA-N 1 0 328.419 4.082 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(OC)c(OC)c1 ZINC000618803297 1050534030 /nfs/dbraw/zinc/53/40/30/1050534030.db2.gz SKZIIQWEGIQGRI-RBUKOAKNSA-N 1 0 336.435 4.304 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc(OC(F)F)c1 ZINC000618807414 1050535100 /nfs/dbraw/zinc/53/51/00/1050535100.db2.gz UKFLKAJIVAXACH-XIKOKIGWSA-N 1 0 328.362 4.498 20 30 EIEDRO CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cc(F)ccc1C#N ZINC001187403316 1050536543 /nfs/dbraw/zinc/53/65/43/1050536543.db2.gz BBJPVOPFXIBMEZ-HXUWFJFHSA-N 1 0 337.442 4.188 20 30 EIEDRO O=C1C=C2C[N@H+](C3CCC4(CCc5ccccc54)CC3)CCC2S1 ZINC001173688494 1050540485 /nfs/dbraw/zinc/54/04/85/1050540485.db2.gz VKTAHBKUAPRQQS-BIXGBWIQSA-N 1 0 339.504 4.087 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618831261 1050546299 /nfs/dbraw/zinc/54/62/99/1050546299.db2.gz CYGOGFFYRFGRFM-HXUWFJFHSA-N 1 0 348.446 4.291 20 30 EIEDRO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711581 1050552341 /nfs/dbraw/zinc/55/23/41/1050552341.db2.gz FLLINOLJTJIUBX-GGAORHGYSA-N 1 0 346.474 4.358 20 30 EIEDRO C[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001178836298 1050566716 /nfs/dbraw/zinc/56/67/16/1050566716.db2.gz XNMHLHJVCTYECF-GOSISDBHSA-N 1 0 335.495 4.098 20 30 EIEDRO C=CC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000093359154 1050579346 /nfs/dbraw/zinc/57/93/46/1050579346.db2.gz KDKYKKQKQWAIAN-UHFFFAOYSA-N 1 0 329.425 4.116 20 30 EIEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618988314 1050622150 /nfs/dbraw/zinc/62/21/50/1050622150.db2.gz PILCPRGIAALSPN-UXHICEINSA-N 1 0 347.418 4.466 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000093704317 1050663593 /nfs/dbraw/zinc/66/35/93/1050663593.db2.gz TYMGACWVFKQWIY-OAQYLSRUSA-N 1 0 349.478 4.446 20 30 EIEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC001179291205 1050663830 /nfs/dbraw/zinc/66/38/30/1050663830.db2.gz KXFUKLBZDWBPRK-CYBMUJFWSA-N 1 0 338.234 4.381 20 30 EIEDRO CC(C)(F)C[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC001179316477 1050673445 /nfs/dbraw/zinc/67/34/45/1050673445.db2.gz WYYZTLJUHFVXCC-NSHDSACASA-N 1 0 347.274 4.396 20 30 EIEDRO Fc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1C(F)(F)F ZINC001179570242 1050720631 /nfs/dbraw/zinc/72/06/31/1050720631.db2.gz CXQROJMIGJOTAI-CABZTGNLSA-N 1 0 345.258 4.044 20 30 EIEDRO C[C@@H](C#N)c1ccc(NC(=O)c2ccc(C3CC[NH+](C)CC3)cc2)cc1 ZINC001188312971 1050742623 /nfs/dbraw/zinc/74/26/23/1050742623.db2.gz GSTXZHQQPTUPNX-INIZCTEOSA-N 1 0 347.462 4.375 20 30 EIEDRO CC(C)Cc1ncc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)s1 ZINC001179637421 1050745275 /nfs/dbraw/zinc/74/52/75/1050745275.db2.gz YPUQBYQQDGQKIW-UHFFFAOYSA-N 1 0 327.497 4.324 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1Cl ZINC000446854927 1050752146 /nfs/dbraw/zinc/75/21/46/1050752146.db2.gz DOSWSVXAYJWWTG-INIZCTEOSA-N 1 0 345.874 4.018 20 30 EIEDRO CC(C)C[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000619426043 1050784758 /nfs/dbraw/zinc/78/47/58/1050784758.db2.gz OOMQSTIGWIENDP-XLIONFOSSA-N 1 0 340.515 4.117 20 30 EIEDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000619426044 1050785059 /nfs/dbraw/zinc/78/50/59/1050785059.db2.gz OOMQSTIGWIENDP-YLJYHZDGSA-N 1 0 340.515 4.117 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21)c1cccc(C#N)c1 ZINC000619465698 1050789065 /nfs/dbraw/zinc/78/90/65/1050789065.db2.gz NLXGNFWZYZGGKB-IIBYNOLFSA-N 1 0 342.446 4.472 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000619508606 1050797764 /nfs/dbraw/zinc/79/77/64/1050797764.db2.gz OJFXMQYYMIRPAH-HXUWFJFHSA-N 1 0 329.407 4.019 20 30 EIEDRO Cc1cc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)ccc1C#N ZINC001179855024 1050800966 /nfs/dbraw/zinc/80/09/66/1050800966.db2.gz MHSAPDQXQBRQKH-JOCHJYFZSA-N 1 0 334.463 4.129 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)ccc1C#N ZINC000619652521 1050845308 /nfs/dbraw/zinc/84/53/08/1050845308.db2.gz YDSJYZJWWUUVCA-UHFFFAOYSA-N 1 0 345.402 4.044 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)C[C@@H](C)c2nccs2)c1O ZINC000182841145 1050847221 /nfs/dbraw/zinc/84/72/21/1050847221.db2.gz RRYUQILFEKXWNO-CQSZACIVSA-N 1 0 346.496 4.211 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCN(c2ccccc2)C1 ZINC001179966821 1050851675 /nfs/dbraw/zinc/85/16/75/1050851675.db2.gz URRVGERLPYKIJA-FQEVSTJZSA-N 1 0 336.479 4.210 20 30 EIEDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755631 1050882812 /nfs/dbraw/zinc/88/28/12/1050882812.db2.gz OARSBQPTGMBFTR-IBGZPJMESA-N 1 0 326.827 4.387 20 30 EIEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755603 1050882879 /nfs/dbraw/zinc/88/28/79/1050882879.db2.gz NBALZYHDPWHULI-CYBMUJFWSA-N 1 0 343.814 4.231 20 30 EIEDRO COc1cccc(C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C2CC2)c1 ZINC000619755670 1050883223 /nfs/dbraw/zinc/88/32/23/1050883223.db2.gz OZKFVTCQUFHJPE-HXUWFJFHSA-N 1 0 340.854 4.331 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1N(C)C ZINC000619755591 1050883914 /nfs/dbraw/zinc/88/39/14/1050883914.db2.gz MPFOIKLUAZNZCC-GFCCVEGCSA-N 1 0 331.822 4.268 20 30 EIEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755757 1050885445 /nfs/dbraw/zinc/88/54/45/1050885445.db2.gz RPFLPMHHKCLZQY-CYBMUJFWSA-N 1 0 338.842 4.199 20 30 EIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755883 1050885678 /nfs/dbraw/zinc/88/56/78/1050885678.db2.gz XLOWKFXNPPUHAU-MGPUTAFESA-N 1 0 345.918 4.344 20 30 EIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C)c1cccc(Cl)c1 ZINC001180183265 1050895585 /nfs/dbraw/zinc/89/55/85/1050895585.db2.gz AJPNLYBNBGZCFW-MRXNPFEDSA-N 1 0 342.870 4.464 20 30 EIEDRO Clc1ccccc1OC[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001180219242 1050917537 /nfs/dbraw/zinc/91/75/37/1050917537.db2.gz LBPQDEWAKJMWFI-LJQANCHMSA-N 1 0 339.866 4.483 20 30 EIEDRO Clc1ccc(O[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)cc1Cl ZINC001180225176 1050920981 /nfs/dbraw/zinc/92/09/81/1050920981.db2.gz PCIBXHQZWJGRKV-KRWDZBQOSA-N 1 0 346.257 4.498 20 30 EIEDRO C=CCO[C@@H]1CC[N@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001180317530 1050949064 /nfs/dbraw/zinc/94/90/64/1050949064.db2.gz IDELUVCLMYNLEL-HSZRJFAPSA-N 1 0 335.491 4.365 20 30 EIEDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc(Cl)c(C#N)c3)cccc21 ZINC001174404241 1050977504 /nfs/dbraw/zinc/97/75/04/1050977504.db2.gz JMYUHFGDMWANLD-KRWDZBQOSA-N 1 0 327.815 4.340 20 30 EIEDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000198432404 1050979597 /nfs/dbraw/zinc/97/95/97/1050979597.db2.gz DSMCSTVWUMPJAB-CQSZACIVSA-N 1 0 345.493 4.019 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC001180524554 1051014749 /nfs/dbraw/zinc/01/47/49/1051014749.db2.gz ZKLIGKMJKCHFNW-QFIPXVFZSA-N 1 0 334.463 4.121 20 30 EIEDRO CCCCCCCC[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC001190398796 1051166947 /nfs/dbraw/zinc/16/69/47/1051166947.db2.gz BKHOFRVDYBZBFQ-UHFFFAOYSA-N 1 0 334.479 4.252 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ncccc2CC)cc(OC)c1OC ZINC000780727541 1051179237 /nfs/dbraw/zinc/17/92/37/1051179237.db2.gz RQSAHCPXVWTYQX-OAHLLOKOSA-N 1 0 340.467 4.241 20 30 EIEDRO C[NH+]1CCN(c2ccc(Nc3ccc(C#N)c4ccccc34)cc2)CC1 ZINC001174814860 1051183771 /nfs/dbraw/zinc/18/37/71/1051183771.db2.gz UCOFIGSSBCEXNR-UHFFFAOYSA-N 1 0 342.446 4.207 20 30 EIEDRO C=CCN(Cc1ccccc1F)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001190486233 1051187724 /nfs/dbraw/zinc/18/77/24/1051187724.db2.gz XYPYNCXUBULMDA-GOSISDBHSA-N 1 0 337.797 4.340 20 30 EIEDRO N#Cc1cc(Cl)cc(CN2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC001190457718 1051191702 /nfs/dbraw/zinc/19/17/02/1051191702.db2.gz QEEOJADJMHQALU-UHFFFAOYSA-N 1 0 345.918 4.300 20 30 EIEDRO N#Cc1cc(Cl)cc(CN2CCC(Oc3ccccc3)CC2)c1 ZINC001190503279 1051196158 /nfs/dbraw/zinc/19/61/58/1051196158.db2.gz OSWXTIQJNHUFOT-UHFFFAOYSA-N 1 0 326.827 4.255 20 30 EIEDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775399279 1051223275 /nfs/dbraw/zinc/22/32/75/1051223275.db2.gz FNWONIQPGOOJQG-JEBQAFNWSA-N 1 0 326.465 4.099 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000775399259 1051223906 /nfs/dbraw/zinc/22/39/06/1051223906.db2.gz QNTLHSOVSZOTPB-OAHLLOKOSA-N 1 0 347.245 4.286 20 30 EIEDRO COCC[N@H+](Cc1cc(Cl)cc(C#N)c1)Cc1ccc(C)cc1C ZINC001190588775 1051226287 /nfs/dbraw/zinc/22/62/87/1051226287.db2.gz DWUNGLBTPVVPJK-UHFFFAOYSA-N 1 0 342.870 4.477 20 30 EIEDRO C#CC[C@@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000775399774 1051236315 /nfs/dbraw/zinc/23/63/15/1051236315.db2.gz UJGJDXCFZUVBMZ-LJQANCHMSA-N 1 0 331.419 4.023 20 30 EIEDRO C=CC[N@H+](CCC(=O)N1CCCc2ccccc21)CCc1ccccc1 ZINC001190700304 1051247393 /nfs/dbraw/zinc/24/73/93/1051247393.db2.gz XMVKOOTVOUWQNY-UHFFFAOYSA-N 1 0 348.490 4.087 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C)C(C)C ZINC001181576193 1051256574 /nfs/dbraw/zinc/25/65/74/1051256574.db2.gz KYQHBHILWGINPZ-GOSISDBHSA-N 1 0 343.902 4.456 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)C1CCC(F)CC1 ZINC001174934376 1051260214 /nfs/dbraw/zinc/26/02/14/1051260214.db2.gz UNFVYJRJTDYANU-NUYPLMSZSA-N 1 0 339.252 4.327 20 30 EIEDRO C[C@H]1CCC[C@H](CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001190818742 1051283307 /nfs/dbraw/zinc/28/33/07/1051283307.db2.gz NOSGHUZALHWQNF-RBUKOAKNSA-N 1 0 325.500 4.287 20 30 EIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001190845596 1051290998 /nfs/dbraw/zinc/29/09/98/1051290998.db2.gz GFKPRHKVGPSMKW-NRFANRHFSA-N 1 0 334.463 4.282 20 30 EIEDRO C=CC[C@H](C)[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC001190993808 1051321425 /nfs/dbraw/zinc/32/14/25/1051321425.db2.gz DBAJEAYZTUVRJV-LSDHHAIUSA-N 1 0 337.305 4.092 20 30 EIEDRO N#Cc1cccc(C2([NH2+]C[C@@H](O)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000775430359 1051340428 /nfs/dbraw/zinc/34/04/28/1051340428.db2.gz OPRUPMDSAOGTDN-QGZVFWFLSA-N 1 0 347.245 4.177 20 30 EIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC001191164651 1051371318 /nfs/dbraw/zinc/37/13/18/1051371318.db2.gz IJDAGDVWWQFSCV-CVEARBPZSA-N 1 0 340.389 4.212 20 30 EIEDRO CCC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001191174616 1051374701 /nfs/dbraw/zinc/37/47/01/1051374701.db2.gz PNPCBGPHYBBVGW-IPMKNSEASA-N 1 0 331.887 4.217 20 30 EIEDRO CCC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001191174615 1051375305 /nfs/dbraw/zinc/37/53/05/1051375305.db2.gz PNPCBGPHYBBVGW-GUDVDZBRSA-N 1 0 331.887 4.217 20 30 EIEDRO CCOc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(F)c1F ZINC001175151381 1051382762 /nfs/dbraw/zinc/38/27/62/1051382762.db2.gz WVRAMFCXXVDEQQ-UHFFFAOYSA-N 1 0 349.406 4.028 20 30 EIEDRO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001191183569 1051392303 /nfs/dbraw/zinc/39/23/03/1051392303.db2.gz SGOHALRDTCOMGL-VGOFRKELSA-N 1 0 347.462 4.278 20 30 EIEDRO CCC[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001191258213 1051395746 /nfs/dbraw/zinc/39/57/46/1051395746.db2.gz KWOPDFXIXNNNSN-LIRRHRJNSA-N 1 0 347.890 4.441 20 30 EIEDRO C#CCCCCCCCCC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001182186722 1051417291 /nfs/dbraw/zinc/41/72/91/1051417291.db2.gz WGIVBZRDPGYZTL-UHFFFAOYSA-N 1 0 332.532 4.075 20 30 EIEDRO CCCC[N@H+](CC)[C@@H](C(=O)N[C@@](C)(C#N)CC(C)C)c1ccccc1 ZINC001182234834 1051432416 /nfs/dbraw/zinc/43/24/16/1051432416.db2.gz GPJROZXWYQAHKE-TZIWHRDSSA-N 1 0 343.515 4.294 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC001191436831 1051457674 /nfs/dbraw/zinc/45/76/74/1051457674.db2.gz QDSVKZILIVEGQR-SFHVURJKSA-N 1 0 345.364 4.254 20 30 EIEDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C#N)cc1 ZINC000774260973 1051530960 /nfs/dbraw/zinc/53/09/60/1051530960.db2.gz UWQGPXPQIXZZOA-KRWDZBQOSA-N 1 0 329.787 4.361 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccc(C#N)cc1 ZINC000774300343 1051545096 /nfs/dbraw/zinc/54/50/96/1051545096.db2.gz DTHYCQFGTGKBBB-MOPGFXCFSA-N 1 0 328.456 4.065 20 30 EIEDRO C[C@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000271799605 1051552709 /nfs/dbraw/zinc/55/27/09/1051552709.db2.gz JWKCTVIODPEJBS-ZDUSSCGKSA-N 1 0 334.341 4.459 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)cc1C#N ZINC001175410574 1051577960 /nfs/dbraw/zinc/57/79/60/1051577960.db2.gz LTSCUYRNGLSGCV-KRWDZBQOSA-N 1 0 330.435 4.123 20 30 EIEDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC001182453754 1051582085 /nfs/dbraw/zinc/58/20/85/1051582085.db2.gz VRRPDXOPSYIVMT-AWEZNQCLSA-N 1 0 349.297 4.493 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1 ZINC001191988122 1051598027 /nfs/dbraw/zinc/59/80/27/1051598027.db2.gz WWQVYNKBNLCJOE-UHFFFAOYSA-N 1 0 328.415 4.419 20 30 EIEDRO CCSCC[C@@H](C)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001191977036 1051606050 /nfs/dbraw/zinc/60/60/50/1051606050.db2.gz MGJBVMIBNZVUQO-CQSZACIVSA-N 1 0 345.430 4.400 20 30 EIEDRO CCSCC[C@H](C)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001191977035 1051606779 /nfs/dbraw/zinc/60/67/79/1051606779.db2.gz MGJBVMIBNZVUQO-AWEZNQCLSA-N 1 0 345.430 4.400 20 30 EIEDRO CC(C)(C#N)c1ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)cn1 ZINC001175505188 1051637473 /nfs/dbraw/zinc/63/74/73/1051637473.db2.gz QVZIWZFUOWTADP-UHFFFAOYSA-N 1 0 332.451 4.084 20 30 EIEDRO N#Cc1ccc(F)c(F)c1N=C1CC[NH+](Cc2ccccc2)CC1 ZINC001175506652 1051640293 /nfs/dbraw/zinc/64/02/93/1051640293.db2.gz APBWDKCLZHROQG-UHFFFAOYSA-N 1 0 325.362 4.038 20 30 EIEDRO Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)CC2(CC#N)CC2)c1 ZINC001192173277 1051646146 /nfs/dbraw/zinc/64/61/46/1051646146.db2.gz HTNRWMQIRNFFJL-NRFANRHFSA-N 1 0 334.463 4.225 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001175580210 1051676051 /nfs/dbraw/zinc/67/60/51/1051676051.db2.gz XBUHVBZPVHVEOD-RBUKOAKNSA-N 1 0 348.531 4.292 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775523427 1051704017 /nfs/dbraw/zinc/70/40/17/1051704017.db2.gz KRBDCEVWDHXQHT-QGZVFWFLSA-N 1 0 329.827 4.299 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)cc1 ZINC001192435221 1051714309 /nfs/dbraw/zinc/71/43/09/1051714309.db2.gz OXODMSKGNZFMQO-GOTSBHOMSA-N 1 0 348.490 4.469 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001182843859 1051715051 /nfs/dbraw/zinc/71/50/51/1051715051.db2.gz IXNSYLRKNGMDDA-UGUYLWEFSA-N 1 0 329.431 4.078 20 30 EIEDRO Cc1ccc([C@@H]2CC[N@H+](C[C@@H](O)c3cccc(C#N)c3)C2(C)C)cc1 ZINC001175714665 1051733649 /nfs/dbraw/zinc/73/36/49/1051733649.db2.gz JLWFSDKJMLATEI-LEWJYISDSA-N 1 0 334.463 4.168 20 30 EIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC001183076084 1051773073 /nfs/dbraw/zinc/77/30/73/1051773073.db2.gz PWNBLXGGDCMASL-UHFFFAOYSA-N 1 0 347.462 4.405 20 30 EIEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccc(F)cc2F)C1 ZINC001183065705 1051780830 /nfs/dbraw/zinc/78/08/30/1051780830.db2.gz ONCSMSFURBSKKM-MRXNPFEDSA-N 1 0 341.401 4.389 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3cc(Cl)ccc3C#N)cc2)CC1 ZINC001175782370 1051784576 /nfs/dbraw/zinc/78/45/76/1051784576.db2.gz SVIBBQQYEPRNCZ-UHFFFAOYSA-N 1 0 340.858 4.097 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3ccc(C#N)cc3Cl)cc2)CC1 ZINC001175782931 1051785069 /nfs/dbraw/zinc/78/50/69/1051785069.db2.gz YVIBHDCCCATJJN-UHFFFAOYSA-N 1 0 340.858 4.097 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)[C@@H]1CCCC[C@H]1C ZINC001183196579 1051804064 /nfs/dbraw/zinc/80/40/64/1051804064.db2.gz DYQMWVYRNMMOOI-FUHIMQAGSA-N 1 0 325.500 4.331 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC001183281602 1051813141 /nfs/dbraw/zinc/81/31/41/1051813141.db2.gz OIANZENCDIZBOR-LJQANCHMSA-N 1 0 330.516 4.133 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC001192790700 1051816403 /nfs/dbraw/zinc/81/64/03/1051816403.db2.gz BRNLHQDWAWBFRT-FQEVSTJZSA-N 1 0 334.463 4.277 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC(SC)CC2)cc1OC ZINC001183270551 1051819634 /nfs/dbraw/zinc/81/96/34/1051819634.db2.gz WARFELKWJIJCDH-UHFFFAOYSA-N 1 0 341.904 4.241 20 30 EIEDRO Cc1cc(C)c(/C=C/C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC001183379617 1051840311 /nfs/dbraw/zinc/84/03/11/1051840311.db2.gz PMENRTSOXYBXBN-SNAWJCMRSA-N 1 0 345.490 4.319 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000775564290 1051866512 /nfs/dbraw/zinc/86/65/12/1051866512.db2.gz UKCDLFPVRAYBAR-QFIPXVFZSA-N 1 0 348.490 4.433 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C)[C@@H]1CCCO1 ZINC000775573078 1051874313 /nfs/dbraw/zinc/87/43/13/1051874313.db2.gz FVWRVGIMAIZQJX-DQYPLSBCSA-N 1 0 344.455 4.089 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c(F)c1 ZINC001183865238 1051918870 /nfs/dbraw/zinc/91/88/70/1051918870.db2.gz RZCJEZMAEPCHME-OAHLLOKOSA-N 1 0 341.455 4.022 20 30 EIEDRO C#CCC1([NH2+]C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CCC1 ZINC001183940599 1051922820 /nfs/dbraw/zinc/92/28/20/1051922820.db2.gz WOKMUAWXEAWIJR-MRXNPFEDSA-N 1 0 336.520 4.242 20 30 EIEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC2(CCCC2)C1 ZINC001193517402 1051943270 /nfs/dbraw/zinc/94/32/70/1051943270.db2.gz SETMDJBJTOKXIN-AWEZNQCLSA-N 1 0 345.874 4.195 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)cc1C#N ZINC001193517138 1051943550 /nfs/dbraw/zinc/94/35/50/1051943550.db2.gz NVNGVTYHBNDGIV-IBGZPJMESA-N 1 0 344.462 4.129 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001193574235 1051948728 /nfs/dbraw/zinc/94/87/28/1051948728.db2.gz FDXSPBVARVPWFX-SFHVURJKSA-N 1 0 348.349 4.159 20 30 EIEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001193649928 1051967874 /nfs/dbraw/zinc/96/78/74/1051967874.db2.gz ZMBYDWPIYDNMLL-KSSFIOAISA-N 1 0 347.890 4.489 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001176234922 1051969274 /nfs/dbraw/zinc/96/92/74/1051969274.db2.gz LLTNRFUUSBZSDE-PBHICJAKSA-N 1 0 337.492 4.444 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3cccc4cccc2c43)cc1 ZINC001176334815 1051993485 /nfs/dbraw/zinc/99/34/85/1051993485.db2.gz LASLWIQTZCINKF-RTWAWAEBSA-N 1 0 328.415 4.022 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001184349453 1051997145 /nfs/dbraw/zinc/99/71/45/1051997145.db2.gz AFTDYBYQIYUYEH-NRFANRHFSA-N 1 0 334.463 4.451 20 30 EIEDRO C#CCC1([NH2+]CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)CCCCC1 ZINC001176432062 1052052167 /nfs/dbraw/zinc/05/21/67/1052052167.db2.gz MEKTVJNWZMLVOP-KRWDZBQOSA-N 1 0 344.474 4.051 20 30 EIEDRO C#CC[N@H+](C[C@@H]1COC2(CCCCC2)O1)[C@H]1CCCc2ccccc21 ZINC001176454137 1052078115 /nfs/dbraw/zinc/07/81/15/1052078115.db2.gz ZPNWZDSLLFMCOL-CTNGQTDRSA-N 1 0 339.479 4.075 20 30 EIEDRO CCc1ccccc1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001194142121 1052098253 /nfs/dbraw/zinc/09/82/53/1052098253.db2.gz JAWFJAUFVKQSNS-UHFFFAOYSA-N 1 0 338.426 4.303 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c2ccccc2c1 ZINC001194408152 1052141078 /nfs/dbraw/zinc/14/10/78/1052141078.db2.gz BCYCLESENTXTBR-SJORKVTESA-N 1 0 332.241 4.035 20 30 EIEDRO C=CC[C@H]1CC[N@H+]1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001176813617 1052196394 /nfs/dbraw/zinc/19/63/94/1052196394.db2.gz FVWDVGOPFVPECZ-SFHVURJKSA-N 1 0 342.483 4.130 20 30 EIEDRO C#C[C@H]1CCCC[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC001176833570 1052197615 /nfs/dbraw/zinc/19/76/15/1052197615.db2.gz XIXUQZKZRKXLLG-INIZCTEOSA-N 1 0 325.374 4.352 20 30 EIEDRO Cc1cccc(C2=CC[N@H+](Cc3ccc(OCC#N)cc3)CC2)c1C ZINC001176856673 1052204038 /nfs/dbraw/zinc/20/40/38/1052204038.db2.gz PYSNJFBVTSJSHU-UHFFFAOYSA-N 1 0 332.447 4.495 20 30 EIEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072605859 1052497173 /nfs/dbraw/zinc/49/71/73/1052497173.db2.gz WRVLDFFKJOZINI-SJORKVTESA-N 1 0 338.455 4.303 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000175986432 1052603373 /nfs/dbraw/zinc/60/33/73/1052603373.db2.gz KSBNUDJKPQLZSZ-UHFFFAOYSA-N 1 0 326.396 4.185 20 30 EIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000623592621 1052685843 /nfs/dbraw/zinc/68/58/43/1052685843.db2.gz URXBCWKPHYXSEM-UHFFFAOYSA-N 1 0 340.467 4.361 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 ZINC000180042504 1052774695 /nfs/dbraw/zinc/77/46/95/1052774695.db2.gz KVBRRWHPSHYAAO-FQEVSTJZSA-N 1 0 336.435 4.125 20 30 EIEDRO C[C@H]([NH2+]CCCOCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000623860895 1052824412 /nfs/dbraw/zinc/82/44/12/1052824412.db2.gz IHTHSJHBPWTGOD-VIFPVBQESA-N 1 0 347.274 4.464 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000184091599 1052991815 /nfs/dbraw/zinc/99/18/15/1052991815.db2.gz IRFYLOXZDMGHBH-QGZVFWFLSA-N 1 0 329.419 4.143 20 30 EIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCCC(C)(C)C#N ZINC000185622566 1053019548 /nfs/dbraw/zinc/01/95/48/1053019548.db2.gz PYQRSZNRBFUNHN-NSHDSACASA-N 1 0 330.398 4.043 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](c1cccs1)c1ccc(C(C)C)cc1 ZINC000764041447 1053023085 /nfs/dbraw/zinc/02/30/85/1053023085.db2.gz BZRONHUPBHEKMJ-LJQANCHMSA-N 1 0 342.508 4.195 20 30 EIEDRO CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764113968 1053030727 /nfs/dbraw/zinc/03/07/27/1053030727.db2.gz SDJABQJMHXPZRI-IBGZPJMESA-N 1 0 349.478 4.152 20 30 EIEDRO C[NH+](C)CCCOc1ccc(NCc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000850212345 1053087484 /nfs/dbraw/zinc/08/74/84/1053087484.db2.gz BTCGURRVXZQRGD-UHFFFAOYSA-N 1 0 349.478 4.184 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000764432801 1053099465 /nfs/dbraw/zinc/09/94/65/1053099465.db2.gz NLHLXPMEDBGHKD-IBGZPJMESA-N 1 0 348.490 4.014 20 30 EIEDRO Cc1cc(F)ccc1C[C@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000850351009 1053126024 /nfs/dbraw/zinc/12/60/24/1053126024.db2.gz XBAGRGCCNBTAFR-JKSUJKDBSA-N 1 0 326.415 4.146 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1cc(C#N)ccc1N(C)C ZINC000864029951 1053166912 /nfs/dbraw/zinc/16/69/12/1053166912.db2.gz FLJCLUGMOARSLP-UHFFFAOYSA-N 1 0 348.494 4.141 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000764558382 1053177564 /nfs/dbraw/zinc/17/75/64/1053177564.db2.gz FMUJUOXTHAMPQP-BEFAXECRSA-N 1 0 331.843 4.202 20 30 EIEDRO CCCCCCCCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000775622758 1053209760 /nfs/dbraw/zinc/20/97/60/1053209760.db2.gz HKSWNUVTAVISPW-KRWDZBQOSA-N 1 0 341.492 4.384 20 30 EIEDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C12CCC2 ZINC001194982558 1053216976 /nfs/dbraw/zinc/21/69/76/1053216976.db2.gz ABDDHSWGJJAUTL-LEWJYISDSA-N 1 0 332.447 4.272 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCn2nc(C)cc2C)cc1 ZINC000764592216 1053218119 /nfs/dbraw/zinc/21/81/19/1053218119.db2.gz QEWTZCSRZVFJPV-QGZVFWFLSA-N 1 0 347.890 4.372 20 30 EIEDRO N#Cc1ccc(-c2nnc(CN(Cc3ccco3)C3CCCC3)o2)cc1 ZINC000173544060 1053239320 /nfs/dbraw/zinc/23/93/20/1053239320.db2.gz MXNZZZUTGVKFPD-UHFFFAOYSA-N 1 0 348.406 4.146 20 30 EIEDRO CCOC(=O)NC1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000850470629 1053248728 /nfs/dbraw/zinc/24/87/28/1053248728.db2.gz GEESYAHOEHIZAN-CTWPCTMYSA-N 1 0 343.471 4.068 20 30 EIEDRO CC(C)(C)C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC001195064797 1053252192 /nfs/dbraw/zinc/25/21/92/1053252192.db2.gz MAVRDJMLDAYHAX-MRXNPFEDSA-N 1 0 327.472 4.033 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000850481061 1053253146 /nfs/dbraw/zinc/25/31/46/1053253146.db2.gz DZMZTKJROHFWPT-SUMDDJOVSA-N 1 0 328.456 4.429 20 30 EIEDRO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000764679837 1053266133 /nfs/dbraw/zinc/26/61/33/1053266133.db2.gz XCTGGTVQLLKRET-AZUAARDMSA-N 1 0 349.478 4.078 20 30 EIEDRO CC(C)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850572847 1053328512 /nfs/dbraw/zinc/32/85/12/1053328512.db2.gz HBIQSDYVWCTYCJ-IAFLDTSXSA-N 1 0 334.891 4.460 20 30 EIEDRO CC[N@H+](CCOc1ccccc1C)Cc1cc(Cl)cc(C#N)c1 ZINC001195321952 1053359580 /nfs/dbraw/zinc/35/95/80/1053359580.db2.gz CLPPOHYODFJDEX-UHFFFAOYSA-N 1 0 328.843 4.421 20 30 EIEDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001195289589 1053365045 /nfs/dbraw/zinc/36/50/45/1053365045.db2.gz PKPSUHWTODXSLB-FQEVSTJZSA-N 1 0 326.390 4.434 20 30 EIEDRO C[N@@H+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)c2ccccc2C1 ZINC000552059624 1053372376 /nfs/dbraw/zinc/37/23/76/1053372376.db2.gz OLTLMGJZEXJAFE-UHFFFAOYSA-N 1 0 345.368 4.029 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)cc1 ZINC000776498137 1053373825 /nfs/dbraw/zinc/37/38/25/1053373825.db2.gz GVUVPBOWOANLMC-KKSFZXQISA-N 1 0 341.426 4.094 20 30 EIEDRO N#CCCOCC[NH2+][C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000339071356 1053382567 /nfs/dbraw/zinc/38/25/67/1053382567.db2.gz KXDIRVWUTJTEIO-FCHUYYIVSA-N 1 0 334.463 4.368 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC001195367313 1053382736 /nfs/dbraw/zinc/38/27/36/1053382736.db2.gz IBBACXBYDISSMR-GFCCVEGCSA-N 1 0 330.334 4.073 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(F)ccc1F ZINC000794810253 1053409367 /nfs/dbraw/zinc/40/93/67/1053409367.db2.gz KTCXDCCCFDGCNV-LJQANCHMSA-N 1 0 330.378 4.354 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2OC)cc1 ZINC000765084712 1053434555 /nfs/dbraw/zinc/43/45/55/1053434555.db2.gz XLMJOZWXYMQUAR-CABCVRRESA-N 1 0 327.399 4.258 20 30 EIEDRO C#C[C@H]1CCCN(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC001195566520 1053436617 /nfs/dbraw/zinc/43/66/17/1053436617.db2.gz JYVUXCAIEFPNHP-SFHVURJKSA-N 1 0 348.446 4.071 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2COCCC)cc1 ZINC000765090376 1053436484 /nfs/dbraw/zinc/43/64/84/1053436484.db2.gz PZFMYOBDVUTYND-SFHVURJKSA-N 1 0 337.463 4.476 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2COCCC)cc1 ZINC000765090375 1053436921 /nfs/dbraw/zinc/43/69/21/1053436921.db2.gz PZFMYOBDVUTYND-GOSISDBHSA-N 1 0 337.463 4.476 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(C(F)F)CC1 ZINC000765147048 1053451896 /nfs/dbraw/zinc/45/18/96/1053451896.db2.gz VDYSCWYDKCVZMI-UHFFFAOYSA-N 1 0 337.439 4.249 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1C#N ZINC000765283022 1053492141 /nfs/dbraw/zinc/49/21/41/1053492141.db2.gz YIIZTJDBTNAUSW-QGZVFWFLSA-N 1 0 340.398 4.098 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(C(F)F)nc2)cc(OC)c1OC ZINC000865450934 1053512353 /nfs/dbraw/zinc/51/23/53/1053512353.db2.gz SABBDXZNWBKYBZ-UHFFFAOYSA-N 1 0 348.393 4.055 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cc1 ZINC000765359998 1053514441 /nfs/dbraw/zinc/51/44/41/1053514441.db2.gz JQKXBNVUQBHMHN-LIRRHRJNSA-N 1 0 349.833 4.341 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000765390112 1053531999 /nfs/dbraw/zinc/53/19/99/1053531999.db2.gz AGVZJOXVRGMKPR-MGPUTAFESA-N 1 0 339.410 4.402 20 30 EIEDRO N#Cc1cc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cs1 ZINC000921512129 1053533607 /nfs/dbraw/zinc/53/36/07/1053533607.db2.gz HTQMQJPQADHDSW-UHFFFAOYSA-N 1 0 345.899 4.027 20 30 EIEDRO Cc1cc(Br)cc(C[N@H+](CCC#N)CC(C)(C)C)c1O ZINC000775676895 1053554468 /nfs/dbraw/zinc/55/44/68/1053554468.db2.gz ACLCLIPQZZGYFR-UHFFFAOYSA-N 1 0 339.277 4.225 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(OC(F)F)cc1F)c1cccc(C#N)c1 ZINC000865624009 1053561674 /nfs/dbraw/zinc/56/16/74/1053561674.db2.gz QQSDIRBWMVGHPV-UHFFFAOYSA-N 1 0 334.341 4.324 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2oc(C(=O)OC)cc2c1 ZINC001196057347 1053566945 /nfs/dbraw/zinc/56/69/45/1053566945.db2.gz REDBNBKVTQTOOR-WBVHZDCISA-N 1 0 327.424 4.444 20 30 EIEDRO C=CC[N@@H+](CC/C=C\c1ccc(Br)cc1)[C@@H](C)COC ZINC001196047814 1053571180 /nfs/dbraw/zinc/57/11/80/1053571180.db2.gz FLUCNTOUEMOIRO-PKYBCLHXSA-N 1 0 338.289 4.375 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C2CCC(OC(C)(C)C)CC2)cc1 ZINC000865698267 1053574320 /nfs/dbraw/zinc/57/43/20/1053574320.db2.gz LUROAMLIZVSJJY-UHFFFAOYSA-N 1 0 343.515 4.252 20 30 EIEDRO CC(C)(C#N)CC[N@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000776592054 1053575503 /nfs/dbraw/zinc/57/55/03/1053575503.db2.gz XPCUFFNMBTUMNG-HSZRJFAPSA-N 1 0 348.490 4.262 20 30 EIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000173556707 1053598274 /nfs/dbraw/zinc/59/82/74/1053598274.db2.gz MBCYBFIOGJTFJG-IBGZPJMESA-N 1 0 344.418 4.254 20 30 EIEDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000173556721 1053598464 /nfs/dbraw/zinc/59/84/64/1053598464.db2.gz MBCYBFIOGJTFJG-LJQANCHMSA-N 1 0 344.418 4.254 20 30 EIEDRO CC[N@H+](Cc1cc(C#N)ccn1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001196314588 1053630387 /nfs/dbraw/zinc/63/03/87/1053630387.db2.gz WKOLWHXZZCWRMG-AWEZNQCLSA-N 1 0 347.384 4.425 20 30 EIEDRO CCCCC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001196328595 1053640261 /nfs/dbraw/zinc/64/02/61/1053640261.db2.gz CTWHZCBRLJWAOG-LJQANCHMSA-N 1 0 327.472 4.322 20 30 EIEDRO COc1cc(F)cc(N=NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000853319599 1053666400 /nfs/dbraw/zinc/66/64/00/1053666400.db2.gz YVMYVFBALFHWQI-UHFFFAOYSA-N 1 0 341.430 4.144 20 30 EIEDRO N#Cc1ccccc1NC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001196544659 1053697343 /nfs/dbraw/zinc/69/73/43/1053697343.db2.gz HCPVMEYYBMVAIW-UHFFFAOYSA-N 1 0 339.870 4.331 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)CCc1ccc(Br)cc1 ZINC001205780281 1053706497 /nfs/dbraw/zinc/70/64/97/1053706497.db2.gz HLLZCDVWPFGERM-IAGOWNOFSA-N 1 0 340.305 4.077 20 30 EIEDRO N#CCc1cccc2c1CC[N@H+](C[C@@H]1CCC3(CCCCCC3)O1)C2 ZINC001196622012 1053715872 /nfs/dbraw/zinc/71/58/72/1053715872.db2.gz BIVJXGYZOWLTDZ-FQEVSTJZSA-N 1 0 338.495 4.383 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccc(C#N)cc1 ZINC000866421614 1053725486 /nfs/dbraw/zinc/72/54/86/1053725486.db2.gz AJBIPSRDIJOMBL-FQEVSTJZSA-N 1 0 336.435 4.019 20 30 EIEDRO C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866448463 1053732978 /nfs/dbraw/zinc/73/29/78/1053732978.db2.gz GIMPACGROOAKOE-AWEZNQCLSA-N 1 0 339.405 4.238 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000866449074 1053733992 /nfs/dbraw/zinc/73/39/92/1053733992.db2.gz QNJGHMJJWBLJFP-UHFFFAOYSA-N 1 0 349.453 4.202 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C(C)(C)C1 ZINC000866465901 1053741026 /nfs/dbraw/zinc/74/10/26/1053741026.db2.gz MTOOIGIGFDFJMI-LFDOHDQPSA-N 1 0 349.519 4.084 20 30 EIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2csc(C#N)c2)cc1OC ZINC000921540200 1053755097 /nfs/dbraw/zinc/75/50/97/1053755097.db2.gz KSXJMMGAPPRDDC-CYBMUJFWSA-N 1 0 330.453 4.268 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000866511526 1053762316 /nfs/dbraw/zinc/76/23/16/1053762316.db2.gz VRQHTWMJJSEPEW-PMJAUZGISA-N 1 0 338.495 4.185 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000866548626 1053780894 /nfs/dbraw/zinc/78/08/94/1053780894.db2.gz WDUPUAWOXLGMIT-BZUAXINKSA-N 1 0 334.460 4.180 20 30 EIEDRO C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC001196827877 1053782699 /nfs/dbraw/zinc/78/26/99/1053782699.db2.gz BTMYPFPNOIOVRY-WMLDXEAASA-N 1 0 340.389 4.488 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866581633 1053793963 /nfs/dbraw/zinc/79/39/63/1053793963.db2.gz JMUKVDCDQNQFMK-CQSZACIVSA-N 1 0 336.439 4.149 20 30 EIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC000866616712 1053807268 /nfs/dbraw/zinc/80/72/68/1053807268.db2.gz APUIIMSBUCNUDH-KOENEWCDSA-N 1 0 341.458 4.019 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001196984138 1053817520 /nfs/dbraw/zinc/81/75/20/1053817520.db2.gz YDKMAXMJKDBYKE-YJBOKZPZSA-N 1 0 330.435 4.375 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001196984136 1053817842 /nfs/dbraw/zinc/81/78/42/1053817842.db2.gz YDKMAXMJKDBYKE-MAUKXSAKSA-N 1 0 330.435 4.375 20 30 EIEDRO CCCCCCC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000776747524 1053824548 /nfs/dbraw/zinc/82/45/48/1053824548.db2.gz ZAPDOMVRTMKXQP-HNNXBMFYSA-N 1 0 326.506 4.069 20 30 EIEDRO CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000552274806 1053846006 /nfs/dbraw/zinc/84/60/06/1053846006.db2.gz BJVONARAGIQGTC-UHFFFAOYSA-N 1 0 347.506 4.386 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC001197177083 1053847885 /nfs/dbraw/zinc/84/78/85/1053847885.db2.gz KNSCKLHQLLCVFW-ZLNRFVROSA-N 1 0 346.474 4.351 20 30 EIEDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552275028 1053848222 /nfs/dbraw/zinc/84/82/22/1053848222.db2.gz IUOSMWSNGSRNHJ-HXOBKFHXSA-N 1 0 345.490 4.440 20 30 EIEDRO CC1(C)[C@@H](c2ccccc2Cl)CCN1Cc1nc(C#N)cs1 ZINC001197314875 1053872680 /nfs/dbraw/zinc/87/26/80/1053872680.db2.gz GCJIBGLFFITVKY-CQSZACIVSA-N 1 0 331.872 4.436 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000868152112 1053877630 /nfs/dbraw/zinc/87/76/30/1053877630.db2.gz OGOLZNUZOXDOIJ-VBUUOAMHSA-N 1 0 341.499 4.191 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccccc2F)ccc1OC ZINC000113308879 1053918045 /nfs/dbraw/zinc/91/80/45/1053918045.db2.gz VJVCYNFYGDSTNA-HOCLYGCPSA-N 1 0 342.414 4.366 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2csc(C(C)C)n2)cc1 ZINC000113333212 1053924183 /nfs/dbraw/zinc/92/41/83/1053924183.db2.gz IWUGXFHKDCJETP-UHFFFAOYSA-N 1 0 328.481 4.001 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(C)(C)C ZINC001197599922 1053952761 /nfs/dbraw/zinc/95/27/61/1053952761.db2.gz ASKSTBQTCCSXAV-HOTGVXAUSA-N 1 0 336.545 4.265 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cc1 ZINC000776849478 1054006147 /nfs/dbraw/zinc/00/61/47/1054006147.db2.gz LALLGLZSHCQQLQ-BXXSPATCSA-N 1 0 346.474 4.250 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000113961707 1054033580 /nfs/dbraw/zinc/03/35/80/1054033580.db2.gz KAXMXBPDOQKNEV-LJQANCHMSA-N 1 0 331.419 4.206 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(OC(C)C)c2)c1 ZINC000113961479 1054033644 /nfs/dbraw/zinc/03/36/44/1054033644.db2.gz WQVMGAPPDXVCLZ-IBGZPJMESA-N 1 0 338.451 4.445 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(SC)cc2)c1 ZINC000113960780 1054033738 /nfs/dbraw/zinc/03/37/38/1054033738.db2.gz SOTVSWQNHUFGCV-QGZVFWFLSA-N 1 0 326.465 4.379 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000113961705 1054034129 /nfs/dbraw/zinc/03/41/29/1054034129.db2.gz KAXMXBPDOQKNEV-IBGZPJMESA-N 1 0 331.419 4.206 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000123663235 1054218826 /nfs/dbraw/zinc/21/88/26/1054218826.db2.gz HTBZLAVXDFUQIF-KXBFYZLASA-N 1 0 331.843 4.202 20 30 EIEDRO Cc1cc(C#N)cc(C)c1CNC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001199259765 1054374545 /nfs/dbraw/zinc/37/45/45/1054374545.db2.gz WZYXOIUBHRGBFV-NRFANRHFSA-N 1 0 327.516 4.021 20 30 EIEDRO CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]CC1CCC(C#N)CC1 ZINC000872070295 1054376571 /nfs/dbraw/zinc/37/65/71/1054376571.db2.gz YUKJSVYSHCCRGI-QLOJAFMTSA-N 1 0 332.463 4.081 20 30 EIEDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000872082534 1054382930 /nfs/dbraw/zinc/38/29/30/1054382930.db2.gz XRVIFLJPGSBDNY-ZDUSSCGKSA-N 1 0 341.436 4.234 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(OCC#N)cc1 ZINC000872130157 1054405951 /nfs/dbraw/zinc/40/59/51/1054405951.db2.gz FNDNKFZRNMYBAF-OLZOCXBDSA-N 1 0 349.356 4.415 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000872139355 1054412320 /nfs/dbraw/zinc/41/23/20/1054412320.db2.gz JQJGZGUIFNYYAW-VHFSOBRXSA-N 1 0 326.390 4.231 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(Cl)c(OC)c2)c1 ZINC000858137167 1054421143 /nfs/dbraw/zinc/42/11/43/1054421143.db2.gz ICCOMALERQEXLR-MRXNPFEDSA-N 1 0 344.842 4.319 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872261860 1054427923 /nfs/dbraw/zinc/42/79/23/1054427923.db2.gz INZCHCNMEDMPCQ-HXUWFJFHSA-N 1 0 342.483 4.293 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000858171763 1054432065 /nfs/dbraw/zinc/43/20/65/1054432065.db2.gz CPVCHGITXUOQCO-UHFFFAOYSA-N 1 0 325.355 4.069 20 30 EIEDRO C[NH+](C)C1(C)CCC(N=Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000872328516 1054437598 /nfs/dbraw/zinc/43/75/98/1054437598.db2.gz VEEWVGIJEOCQIO-UHFFFAOYSA-N 1 0 348.800 4.416 20 30 EIEDRO C[NH+](C)C1(C)CCC(N=Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000872348226 1054439559 /nfs/dbraw/zinc/43/95/59/1054439559.db2.gz CLLFXDOGPQSNNM-UHFFFAOYSA-N 1 0 338.377 4.239 20 30 EIEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3c[nH]c4c3cccc4F)C2)cc1 ZINC001137060372 1054450067 /nfs/dbraw/zinc/45/00/67/1054450067.db2.gz PSIGVTMUDCIQIS-SFHVURJKSA-N 1 0 349.409 4.222 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)C1 ZINC001199743066 1054460038 /nfs/dbraw/zinc/46/00/38/1054460038.db2.gz QALQBLFLUKSUNH-OALUTQOASA-N 1 0 343.511 4.386 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2Sc2ccc(F)cc2)nc1 ZINC000858408306 1054482987 /nfs/dbraw/zinc/48/29/87/1054482987.db2.gz RROURWLHSNXUPJ-RTBURBONSA-N 1 0 341.455 4.285 20 30 EIEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000858447329 1054493064 /nfs/dbraw/zinc/49/30/64/1054493064.db2.gz OXCUDIGCQWWTKD-QGZVFWFLSA-N 1 0 330.472 4.232 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)cc1 ZINC000873185152 1054504354 /nfs/dbraw/zinc/50/43/54/1054504354.db2.gz QIPNXNDKKFSELJ-CHWSQXEVSA-N 1 0 349.356 4.242 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000781419914 1054610562 /nfs/dbraw/zinc/61/05/62/1054610562.db2.gz GGNQTSWYUIOYNC-HNNXBMFYSA-N 1 0 325.431 4.394 20 30 EIEDRO C=CC[NH+]1CCC(Nc2nccc3ccc(Br)cc32)CC1 ZINC000825721241 1054643848 /nfs/dbraw/zinc/64/38/48/1054643848.db2.gz MDUYGRKMPYYZHV-UHFFFAOYSA-N 1 0 346.272 4.060 20 30 EIEDRO Cc1ccc(CSCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000776154661 1054752791 /nfs/dbraw/zinc/75/27/91/1054752791.db2.gz WYFLNJXIJORGQC-QGZVFWFLSA-N 1 0 340.492 4.481 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(N2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000776155612 1054757592 /nfs/dbraw/zinc/75/75/92/1054757592.db2.gz IFHSZDCRNDPZBD-GOSISDBHSA-N 1 0 333.479 4.442 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(N2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000776159935 1054768154 /nfs/dbraw/zinc/76/81/54/1054768154.db2.gz XIDJEFUCOAUVGR-SFHVURJKSA-N 1 0 333.479 4.442 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2ccc(Br)c(F)c2C#N)c1 ZINC001201403511 1054776630 /nfs/dbraw/zinc/77/66/30/1054776630.db2.gz XQCHFMARVNUNPS-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2cc(F)c(Br)cc2C#N)c1 ZINC001201403016 1054776646 /nfs/dbraw/zinc/77/66/46/1054776646.db2.gz IJDQJVAWYHVGNC-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc(OC)c1OC ZINC000776164536 1054780101 /nfs/dbraw/zinc/78/01/01/1054780101.db2.gz SOXDBQICWWPRKE-HNNXBMFYSA-N 1 0 336.435 4.155 20 30 EIEDRO CCC(C#N)(CC)C(=O)OCc1cccc(C[NH+]2CCCCC2)c1 ZINC000860200710 1054787372 /nfs/dbraw/zinc/78/73/72/1054787372.db2.gz ZVHXYUDLHUZFPZ-UHFFFAOYSA-N 1 0 328.456 4.046 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)C12CCCC2 ZINC000776165515 1054792694 /nfs/dbraw/zinc/79/26/94/1054792694.db2.gz RSIOYFHMKIRABV-YZGWKJHDSA-N 1 0 342.483 4.195 20 30 EIEDRO Cc1nsc(N=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1C#N ZINC001201470202 1054811624 /nfs/dbraw/zinc/81/16/24/1054811624.db2.gz MWHQKRYDTHBKFJ-SJORKVTESA-N 1 0 336.464 4.056 20 30 EIEDRO N#Cc1cccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1F ZINC001201475100 1054829438 /nfs/dbraw/zinc/82/94/38/1054829438.db2.gz SDPCRCOBXRPPJE-MOPGFXCFSA-N 1 0 333.410 4.430 20 30 EIEDRO N#Cc1cccc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201475046 1054829999 /nfs/dbraw/zinc/82/99/99/1054829999.db2.gz QORGSWGZGHUSTI-RTWAWAEBSA-N 1 0 340.430 4.163 20 30 EIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000125824317 1054867734 /nfs/dbraw/zinc/86/77/34/1054867734.db2.gz HCMLQVNMJIISLV-QGZVFWFLSA-N 1 0 337.467 4.238 20 30 EIEDRO CCCCCCCC[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001201814409 1054912544 /nfs/dbraw/zinc/91/25/44/1054912544.db2.gz OYYTUTCZTJLAMK-LJQANCHMSA-N 1 0 333.520 4.102 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001201804896 1054913192 /nfs/dbraw/zinc/91/31/92/1054913192.db2.gz WKSLIXYZQZHZQV-FQEVSTJZSA-N 1 0 346.515 4.444 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC001201814652 1054913224 /nfs/dbraw/zinc/91/32/24/1054913224.db2.gz RAAVAXBIGNZJJS-HXUWFJFHSA-N 1 0 342.527 4.485 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001201815224 1054913783 /nfs/dbraw/zinc/91/37/83/1054913783.db2.gz ZYZNSPKOZQUVDO-UXHICEINSA-N 1 0 332.488 4.054 20 30 EIEDRO CCCCCCC[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC001201776320 1054915721 /nfs/dbraw/zinc/91/57/21/1054915721.db2.gz BRKNLGPZASZHEV-IBGZPJMESA-N 1 0 328.500 4.095 20 30 EIEDRO CCCCCCCC[N@@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001201815189 1054916056 /nfs/dbraw/zinc/91/60/56/1054916056.db2.gz YQCNGFCJSPYSDO-NHCUHLMSSA-N 1 0 329.532 4.196 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC1)[C@@H](c1ccccc1)CC(=O)N2C ZINC001201777218 1054916923 /nfs/dbraw/zinc/91/69/23/1054916923.db2.gz TYCADMKKXCAMDA-HXUWFJFHSA-N 1 0 342.527 4.437 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@]2(C[C@@H](OCc3cccc(C)n3)CO2)C1 ZINC001201776845 1054918480 /nfs/dbraw/zinc/91/84/80/1054918480.db2.gz NVJYVCSPPPRMGH-RTWAWAEBSA-N 1 0 346.515 4.110 20 30 EIEDRO CCCCCCCCCC[N@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001201853033 1054922286 /nfs/dbraw/zinc/92/22/86/1054922286.db2.gz YTCDJZJHCXNMLD-SFHVURJKSA-N 1 0 335.536 4.497 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)C(=O)N[C@@H]2c1ccccc1 ZINC001201826320 1054925928 /nfs/dbraw/zinc/92/59/28/1054925928.db2.gz RRQMIHIUXISYEH-LJQANCHMSA-N 1 0 328.500 4.300 20 30 EIEDRO N#Cc1cccc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)c1 ZINC000106251540 1054938214 /nfs/dbraw/zinc/93/82/14/1054938214.db2.gz KXABLQVIJXUCLQ-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO CCCCCCCCCC[NH+]1C[C@H]2CN(C(=O)c3ccco3)C[C@@H]2C1 ZINC001201874887 1054940440 /nfs/dbraw/zinc/94/04/40/1054940440.db2.gz KOFLFYZEDCPSCK-OALUTQOASA-N 1 0 346.515 4.424 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC001201982755 1054959645 /nfs/dbraw/zinc/95/96/45/1054959645.db2.gz WBLKZGOTSFQWMH-INIZCTEOSA-N 1 0 343.854 4.299 20 30 EIEDRO N#Cc1cnc(Cl)c(CNc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000876822633 1054964571 /nfs/dbraw/zinc/96/45/71/1054964571.db2.gz DLXKOJRXYIINLM-UHFFFAOYSA-N 1 0 340.858 4.205 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC001202010451 1054977489 /nfs/dbraw/zinc/97/74/89/1054977489.db2.gz MRUWMNUVYPIFTJ-INIZCTEOSA-N 1 0 347.886 4.324 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)c2cccc(F)c2)cc1 ZINC000118454001 1054979198 /nfs/dbraw/zinc/97/91/98/1054979198.db2.gz IMOSOWBNYJDROE-HNNXBMFYSA-N 1 0 326.415 4.184 20 30 EIEDRO N#CCCOCC[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339031561 1054980824 /nfs/dbraw/zinc/98/08/24/1054980824.db2.gz KUCBKRWVMFYNOW-INIZCTEOSA-N 1 0 326.362 4.163 20 30 EIEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877077386 1055015071 /nfs/dbraw/zinc/01/50/71/1055015071.db2.gz GFQKMOQWCUWVGM-PIGZYNQJSA-N 1 0 329.806 4.159 20 30 EIEDRO CC(C)C(C[NH2+]C1CCC(Oc2ncccc2C#N)CC1)C(C)C ZINC001202074215 1055036333 /nfs/dbraw/zinc/03/63/33/1055036333.db2.gz JYABRWFMUXIQIZ-UHFFFAOYSA-N 1 0 329.488 4.161 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(SC)cc2)cc1OC ZINC001202214368 1055088501 /nfs/dbraw/zinc/08/85/01/1055088501.db2.gz YCRSDSDGQMGGPQ-UHFFFAOYSA-N 1 0 343.492 4.314 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccc(SC)cc2)cc1 ZINC001202213798 1055089280 /nfs/dbraw/zinc/08/92/80/1055089280.db2.gz QFACPSJTHSKAEN-UHFFFAOYSA-N 1 0 325.477 4.143 20 30 EIEDRO COC(=O)CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001202252073 1055096242 /nfs/dbraw/zinc/09/62/42/1055096242.db2.gz AMOPBRWOTVYTOP-QGZVFWFLSA-N 1 0 336.435 4.075 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1sccc1Br ZINC001202251820 1055096979 /nfs/dbraw/zinc/09/69/79/1055096979.db2.gz UAYUQNZNTGPMBB-UHFFFAOYSA-N 1 0 335.270 4.289 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000877892785 1055145878 /nfs/dbraw/zinc/14/58/78/1055145878.db2.gz DUVQHMBRZRWGGZ-IERDGZPVSA-N 1 0 338.426 4.259 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902891 1055149202 /nfs/dbraw/zinc/14/92/02/1055149202.db2.gz HVKCIQFAWDGFHB-GOTSBHOMSA-N 1 0 346.474 4.436 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+](Cc1ccccc1)C(C)C)c1ccccc1 ZINC000877950342 1055160819 /nfs/dbraw/zinc/16/08/19/1055160819.db2.gz JYOXZXFMRMUMBJ-JOCHJYFZSA-N 1 0 334.463 4.338 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+](C)CCCCc1ccccc1)c1ccccc1 ZINC000877971897 1055165436 /nfs/dbraw/zinc/16/54/36/1055165436.db2.gz SEQYHLHBSSQBAW-HSZRJFAPSA-N 1 0 348.490 4.382 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)cc1 ZINC001202466786 1055178581 /nfs/dbraw/zinc/17/85/81/1055178581.db2.gz PTQOLXVMPAUZCE-UHFFFAOYSA-N 1 0 345.389 4.207 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC001202467091 1055183562 /nfs/dbraw/zinc/18/35/62/1055183562.db2.gz SRQWGRQJMGBCOE-UHFFFAOYSA-N 1 0 337.316 4.146 20 30 EIEDRO C#CCCCCC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000878362801 1055262459 /nfs/dbraw/zinc/26/24/59/1055262459.db2.gz ILQJXFXBHQFKIX-KRWDZBQOSA-N 1 0 335.451 4.178 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCCCCCC1 ZINC000108356010 1055292049 /nfs/dbraw/zinc/29/20/49/1055292049.db2.gz IFEBMILGAPDJAN-INIZCTEOSA-N 1 0 345.512 4.143 20 30 EIEDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000127143626 1055320547 /nfs/dbraw/zinc/32/05/47/1055320547.db2.gz NKKHJHPAMRYSSS-KRWDZBQOSA-N 1 0 335.234 4.030 20 30 EIEDRO C#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000878760671 1055391682 /nfs/dbraw/zinc/39/16/82/1055391682.db2.gz KOBUQEYOCROZNC-MRXNPFEDSA-N 1 0 331.419 4.125 20 30 EIEDRO COc1c2ccccc2oc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000616094749 1055460648 /nfs/dbraw/zinc/46/06/48/1055460648.db2.gz XHPVQVRISOHMDG-GOSISDBHSA-N 1 0 332.403 4.480 20 30 EIEDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000153544099 1055518638 /nfs/dbraw/zinc/51/86/38/1055518638.db2.gz IRODJIJNLXFGMM-OXQOHEQNSA-N 1 0 346.478 4.069 20 30 EIEDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000542703511 1055850990 /nfs/dbraw/zinc/85/09/90/1055850990.db2.gz UKNLORTWBONMDB-VQTJNVASSA-N 1 0 335.407 4.175 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000921691762 1055868107 /nfs/dbraw/zinc/86/81/07/1055868107.db2.gz ILEDRWSOCGMIQE-UHFFFAOYSA-N 1 0 330.378 4.109 20 30 EIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3ccc(C#N)cn3)cc2)C1 ZINC000301071527 1055893393 /nfs/dbraw/zinc/89/33/93/1055893393.db2.gz DRSQMTUGQVRYSC-IAGOWNOFSA-N 1 0 334.467 4.043 20 30 EIEDRO N#Cc1cc(F)c(NCC2CC[NH+](Cc3cccs3)CC2)c(F)c1 ZINC000301132546 1055898784 /nfs/dbraw/zinc/89/87/84/1055898784.db2.gz UCNCRTFSPIAIQJ-UHFFFAOYSA-N 1 0 347.434 4.222 20 30 EIEDRO C[NH+](C)[C@H](CNc1ccc(C#N)cc1C(F)(F)F)c1cccs1 ZINC000301170853 1055903990 /nfs/dbraw/zinc/90/39/90/1055903990.db2.gz JUAQQYGVVIEVAN-CQSZACIVSA-N 1 0 339.386 4.353 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1C#N)c1ccccc1 ZINC000301207847 1055907143 /nfs/dbraw/zinc/90/71/43/1055907143.db2.gz SMFBFQPVFLWTTO-CQSZACIVSA-N 1 0 338.411 4.008 20 30 EIEDRO C[NH+](C)[C@H]1CCC[C@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000301518499 1055945175 /nfs/dbraw/zinc/94/51/75/1055945175.db2.gz GZUVKDUBRKFZHY-GJZGRUSLSA-N 1 0 328.847 4.045 20 30 EIEDRO CC1CC[NH+](C2CCC(Nc3snc(Cl)c3C#N)CC2)CC1 ZINC000301785625 1055984195 /nfs/dbraw/zinc/98/41/95/1055984195.db2.gz VTIQFUXOXWPKQQ-UHFFFAOYSA-N 1 0 338.908 4.123 20 30 EIEDRO N#Cc1cc2c(nc1NC1CC[NH+](C3CCCCC3)CC1)CCCC2 ZINC000301875191 1055996092 /nfs/dbraw/zinc/99/60/92/1055996092.db2.gz IIZROPNSNXIQQI-UHFFFAOYSA-N 1 0 338.499 4.041 20 30 EIEDRO Cc1ccc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)nc1C#N ZINC000302682282 1056063034 /nfs/dbraw/zinc/06/30/34/1056063034.db2.gz XGQMQSCSJHWYIE-INIZCTEOSA-N 1 0 334.467 4.106 20 30 EIEDRO COc1ccc([C@@H]2C[C@@H]([N@H+](CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653660 1056160789 /nfs/dbraw/zinc/16/07/89/1056160789.db2.gz NJGWTVGXRCHRQG-ICSRJNTNSA-N 1 0 328.456 4.074 20 30 EIEDRO C[C@H]([NH2+]Cc1cnn(-c2cccc(Cl)c2)c1)c1cccc(C#N)c1 ZINC000360052736 1056177272 /nfs/dbraw/zinc/17/72/72/1056177272.db2.gz BSFGIUIETFYDCH-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO C[C@@H]([NH2+]Cc1cnn(-c2cccc(Cl)c2)c1)c1ccc(C#N)s1 ZINC000360055770 1056177869 /nfs/dbraw/zinc/17/78/69/1056177869.db2.gz HNYFYDYCLHCXOX-GFCCVEGCSA-N 1 0 342.855 4.310 20 30 EIEDRO C=CCCCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000303701268 1056246127 /nfs/dbraw/zinc/24/61/27/1056246127.db2.gz BCRAHHLZBBDGCN-HXUWFJFHSA-N 1 0 343.515 4.067 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@H](SC)C2)ccc1OC ZINC000921737500 1056265513 /nfs/dbraw/zinc/26/55/13/1056265513.db2.gz GVGHYSLAGQFXTG-ZACQAIPSSA-N 1 0 348.512 4.140 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000554831535 1056342936 /nfs/dbraw/zinc/34/29/36/1056342936.db2.gz SNZIJFOYGZJMMF-MRXNPFEDSA-N 1 0 349.453 4.285 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000554841300 1056374672 /nfs/dbraw/zinc/37/46/72/1056374672.db2.gz APPWVPCAAYNKIY-OAHLLOKOSA-N 1 0 335.451 4.145 20 30 EIEDRO C=CCCO[C@@H](C)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000109569895 1056486546 /nfs/dbraw/zinc/48/65/46/1056486546.db2.gz YZHNKVQCLUXABK-INIZCTEOSA-N 1 0 341.455 4.376 20 30 EIEDRO C[N@H+](CCCNc1cc(C#N)c2ccccc2n1)Cc1ccccc1 ZINC000304930867 1056554294 /nfs/dbraw/zinc/55/42/94/1056554294.db2.gz PRQXWUABALXJKU-UHFFFAOYSA-N 1 0 330.435 4.040 20 30 EIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1cccc(OC(F)(F)F)c1 ZINC000921827479 1056659303 /nfs/dbraw/zinc/65/93/03/1056659303.db2.gz GBRARYAMAZSAKW-JTQLQIEISA-N 1 0 326.343 4.369 20 30 EIEDRO C=CC1CC[NH+](Cc2csc(-c3ccc(OC)cc3OC)n2)CC1 ZINC000111259042 1056779956 /nfs/dbraw/zinc/77/99/56/1056779956.db2.gz GRMGBQQQDYUZGT-UHFFFAOYSA-N 1 0 344.480 4.225 20 30 EIEDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934376 1056798367 /nfs/dbraw/zinc/79/83/67/1056798367.db2.gz IQGSSIKRLIRQNA-ULQDDVLXSA-N 1 0 349.478 4.179 20 30 EIEDRO COc1ccc(C[NH2+]CCOc2ccc(C(C)(C)C)cc2)cc1C#N ZINC000742366308 1058576554 /nfs/dbraw/zinc/57/65/54/1058576554.db2.gz UDFGSDBYJHYGCB-UHFFFAOYSA-N 1 0 338.451 4.033 20 30 EIEDRO COc1ccc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)cc1C#N ZINC000742369269 1058597312 /nfs/dbraw/zinc/59/73/12/1058597312.db2.gz QVEPFNCAGOBQFA-UHFFFAOYSA-N 1 0 335.234 4.206 20 30 EIEDRO Cc1cc(C)cc(C[C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000742379394 1058604025 /nfs/dbraw/zinc/60/40/25/1058604025.db2.gz AHVWALAHOOWFBC-LJQANCHMSA-N 1 0 335.495 4.374 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2cccc(F)c2)cc(OC)c1OC ZINC000743474561 1059025543 /nfs/dbraw/zinc/02/55/43/1059025543.db2.gz VJRGYZBRSUYEJH-CQSZACIVSA-N 1 0 329.415 4.422 20 30 EIEDRO C#CC[N@H+](CC1CCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000743848456 1059146832 /nfs/dbraw/zinc/14/68/32/1059146832.db2.gz QPFZNHDNMNOVQP-INIZCTEOSA-N 1 0 334.257 4.008 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000744447557 1059523528 /nfs/dbraw/zinc/52/35/28/1059523528.db2.gz LLRINNDPUPXQFV-ORAYPTAESA-N 1 0 349.833 4.256 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1c(O)ccc2ccncc21 ZINC000745161817 1059764546 /nfs/dbraw/zinc/76/45/46/1059764546.db2.gz GCEAYRGXGRIGBA-UHFFFAOYSA-N 1 0 329.403 4.000 20 30 EIEDRO N#Cc1ccc(-c2ccn(C[N@H+](CCc3ccccc3)C3CC3)n2)cc1 ZINC000746025672 1059969476 /nfs/dbraw/zinc/96/94/76/1059969476.db2.gz KJECVNWMSMTMHH-UHFFFAOYSA-N 1 0 342.446 4.086 20 30 EIEDRO CCCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000746312477 1060106969 /nfs/dbraw/zinc/10/69/69/1060106969.db2.gz VHMGSMSIMMMQJU-ROUUACIJSA-N 1 0 325.541 4.109 20 30 EIEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001205990886 1060203354 /nfs/dbraw/zinc/20/33/54/1060203354.db2.gz XBQBYTWHTKKKBJ-SCLBCKFNSA-N 1 0 346.243 4.483 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cnn1-c1ccccc1 ZINC000766351212 1060299021 /nfs/dbraw/zinc/29/90/21/1060299021.db2.gz SJFZYWKZXFONJY-HOTGVXAUSA-N 1 0 330.435 4.464 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCc2nc3c(cccc3C)o2)cc1 ZINC000766354202 1060300498 /nfs/dbraw/zinc/30/04/98/1060300498.db2.gz MFUVPIUJTRNPFQ-INIZCTEOSA-N 1 0 334.419 4.042 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)c(F)c1 ZINC000766470476 1060374201 /nfs/dbraw/zinc/37/42/01/1060374201.db2.gz HNRTVZNLZHUXSZ-QFIPXVFZSA-N 1 0 346.405 4.188 20 30 EIEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC001168903308 1060510696 /nfs/dbraw/zinc/51/06/96/1060510696.db2.gz RCXDDGCTMBWMRM-HXUWFJFHSA-N 1 0 341.499 4.099 20 30 EIEDRO CCCCCCCC[N@@H+]1CCCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168958637 1060555583 /nfs/dbraw/zinc/55/55/83/1060555583.db2.gz XCVVTYQICQVNIJ-UHFFFAOYSA-N 1 0 346.515 4.090 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cc3ccccc3o2)cc1 ZINC001169307462 1060763674 /nfs/dbraw/zinc/76/36/74/1060763674.db2.gz VTKMULFJHFUQQO-HNNXBMFYSA-N 1 0 332.403 4.094 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2CCC(C)C)c1C#N ZINC001169364228 1060780578 /nfs/dbraw/zinc/78/05/78/1060780578.db2.gz CNXJGRNMIWOGNI-HNAYVOBHSA-N 1 0 328.456 4.039 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2CCC(C)C)cc1 ZINC001169364781 1060780752 /nfs/dbraw/zinc/78/07/52/1060780752.db2.gz FRXTZXNXKCPXLI-AZUAARDMSA-N 1 0 326.484 4.191 20 30 EIEDRO C#CCCC[NH2+][C@@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000766727528 1060829324 /nfs/dbraw/zinc/82/93/24/1060829324.db2.gz FUMGDBZVNJQJMB-FQEVSTJZSA-N 1 0 343.854 4.450 20 30 EIEDRO COc1ccc2c(c1)[nH+]ccc2N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767300211 1061186049 /nfs/dbraw/zinc/18/60/49/1061186049.db2.gz DMJBNZJGLYWCEI-UHFFFAOYSA-N 1 0 341.414 4.409 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+]C(C)(C)CC)cc1OC ZINC000013724974 258017412 /nfs/dbraw/zinc/01/74/12/258017412.db2.gz IFBYUADINKIITL-UHFFFAOYSA-N 1 0 342.277 4.301 20 30 EIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(CCC#N)C2CCCC2)nc1 ZINC001165017265 721835943 /nfs/dbraw/zinc/83/59/43/721835943.db2.gz JRNKVZBEPIHXTL-IBGZPJMESA-N 1 0 326.488 4.291 20 30 EIEDRO C=CCC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000449840412 1032070110 /nfs/dbraw/zinc/07/01/10/1032070110.db2.gz QHRMHKSUQSSFDF-LJQANCHMSA-N 1 0 332.532 4.238 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cnn(Cc2ccccc2)c1 ZINC000532206817 1032074160 /nfs/dbraw/zinc/07/41/60/1032074160.db2.gz OFDDGVNQUHIBFQ-IAGOWNOFSA-N 1 0 330.435 4.215 20 30 EIEDRO CC(C)OC1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000130199830 1032188723 /nfs/dbraw/zinc/18/87/23/1032188723.db2.gz JXLZYICABXKNAM-UHFFFAOYSA-N 1 0 330.472 4.195 20 30 EIEDRO CCC1CCC([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000236645811 1032194167 /nfs/dbraw/zinc/19/41/67/1032194167.db2.gz OANKPJCOXQCGEW-UHFFFAOYSA-N 1 0 330.472 4.436 20 30 EIEDRO COC(=O)C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)C1CCCCC1 ZINC000544425126 1032210958 /nfs/dbraw/zinc/21/09/58/1032210958.db2.gz SCJTYTYAPUZKQX-LJQANCHMSA-N 1 0 342.483 4.089 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475662105 1032215903 /nfs/dbraw/zinc/21/59/03/1032215903.db2.gz PSBXLLQUDPCAAQ-QHCPKHFHSA-N 1 0 348.490 4.057 20 30 EIEDRO C=CCC[C@@H]([NH2+]C1CCN(c2nnc(C)s2)CC1)c1ccccc1 ZINC000360002591 1032229141 /nfs/dbraw/zinc/22/91/41/1032229141.db2.gz YKHYPDQQQJWLLD-GOSISDBHSA-N 1 0 342.512 4.112 20 30 EIEDRO CCN(CC)c1ncc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)s1 ZINC000508621244 1032231075 /nfs/dbraw/zinc/23/10/75/1032231075.db2.gz SPOWYUTTYJQJCO-OAHLLOKOSA-N 1 0 342.512 4.444 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000237608402 1032234438 /nfs/dbraw/zinc/23/44/38/1032234438.db2.gz GAVDQDLSWVCENN-ACJLOTCBSA-N 1 0 342.826 4.244 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCc2csc3ccccc23)O1 ZINC000360060286 1032236502 /nfs/dbraw/zinc/23/65/02/1032236502.db2.gz PROSHSJDDTYLON-YSHGAJCASA-N 1 0 340.492 4.273 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCc2csc3ccccc23)O1 ZINC000360060284 1032236773 /nfs/dbraw/zinc/23/67/73/1032236773.db2.gz PROSHSJDDTYLON-OQIJWPOYSA-N 1 0 340.492 4.273 20 30 EIEDRO Cc1cnc([C@H]2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)s1 ZINC000360078882 1032238645 /nfs/dbraw/zinc/23/86/45/1032238645.db2.gz YRTBNDIEOUPQNG-YOEHRIQHSA-N 1 0 341.480 4.122 20 30 EIEDRO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCCC1 ZINC000450058052 1032243501 /nfs/dbraw/zinc/24/35/01/1032243501.db2.gz GSHDICBPBJIHEE-AZUAARDMSA-N 1 0 340.511 4.292 20 30 EIEDRO COc1ccc(CNc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1C#N ZINC000532730816 1032281314 /nfs/dbraw/zinc/28/13/14/1032281314.db2.gz ISHBJAACTZSCJY-KRWDZBQOSA-N 1 0 349.478 4.411 20 30 EIEDRO C=CCC1(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CCCC1 ZINC000450204654 1032341922 /nfs/dbraw/zinc/34/19/22/1032341922.db2.gz KQDXYJQZBAKLOA-UHFFFAOYSA-N 1 0 332.532 4.282 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000610250190 1032421001 /nfs/dbraw/zinc/42/10/01/1032421001.db2.gz IVJPONMQWNIEDO-RXVVDRJESA-N 1 0 349.478 4.309 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000532987273 1032429712 /nfs/dbraw/zinc/42/97/12/1032429712.db2.gz LBWHBMGJIXTFLE-CQSZACIVSA-N 1 0 344.455 4.287 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1Cl ZINC000127444275 1032437483 /nfs/dbraw/zinc/43/74/83/1032437483.db2.gz KRIDJUKVHWWOPT-NWDGAFQWSA-N 1 0 345.805 4.029 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000245764150 1032469186 /nfs/dbraw/zinc/46/91/86/1032469186.db2.gz QKCRALXISYWRLE-XLIONFOSSA-N 1 0 348.446 4.215 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](CC)c2ccc(OCC)c(OCC)c2)CC1 ZINC000177912813 1032513549 /nfs/dbraw/zinc/51/35/49/1032513549.db2.gz XXOGZJZNBBCEGK-IBGZPJMESA-N 1 0 346.515 4.175 20 30 EIEDRO C[C@@H](C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)Cc1ccccc1 ZINC000529672577 1032524775 /nfs/dbraw/zinc/52/47/75/1032524775.db2.gz HBDKEVQXTXZCNI-GOSISDBHSA-N 1 0 334.463 4.032 20 30 EIEDRO C[C@@H](C#N)CN(C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000533270018 1032575893 /nfs/dbraw/zinc/57/58/93/1032575893.db2.gz ZAOVHNQISOJRQN-LBPRGKRZSA-N 1 0 344.871 4.308 20 30 EIEDRO C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000500539267 1032608830 /nfs/dbraw/zinc/60/88/30/1032608830.db2.gz PKNUPGHONPEYHQ-KRWDZBQOSA-N 1 0 348.494 4.134 20 30 EIEDRO CC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1c(C)nn(C)c1C ZINC000090180608 1032661594 /nfs/dbraw/zinc/66/15/94/1032661594.db2.gz DTPZJIASONLBJX-KRWDZBQOSA-N 1 0 349.400 4.148 20 30 EIEDRO C=C(C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000512410740 1032708579 /nfs/dbraw/zinc/70/85/79/1032708579.db2.gz UYCPGMPTTVIBLW-UHFFFAOYSA-N 1 0 348.406 4.113 20 30 EIEDRO C=CC1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000533424423 1032750337 /nfs/dbraw/zinc/75/03/37/1032750337.db2.gz UAHJKXIXXRNCQP-UHFFFAOYSA-N 1 0 348.490 4.180 20 30 EIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CC[C@H](C#N)C3)s2)cc1 ZINC000274613241 1018834258 /nfs/dbraw/zinc/83/42/58/1018834258.db2.gz KQGOBANRDIXGQW-NOLJZWGESA-N 1 0 341.480 4.470 20 30 EIEDRO CC(C)C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000126851689 1018914938 /nfs/dbraw/zinc/91/49/38/1018914938.db2.gz DNLGMKMMBKAOBE-NHCUHLMSSA-N 1 0 349.478 4.022 20 30 EIEDRO N#Cc1ccccc1OC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001203385123 1019115773 /nfs/dbraw/zinc/11/57/73/1019115773.db2.gz JWXHQAHXRYDGAC-UHFFFAOYSA-N 1 0 326.827 4.255 20 30 EIEDRO Cc1ccc(C)c([C@H]2CN(Cc3cccc(C#N)c3F)[C@H](C)CO2)c1 ZINC000512457235 1032818746 /nfs/dbraw/zinc/81/87/46/1032818746.db2.gz REGHRECQWCJJPA-OXQOHEQNSA-N 1 0 338.426 4.276 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430201943 1019267197 /nfs/dbraw/zinc/26/71/97/1019267197.db2.gz KVSDTQHQEBMBIJ-SFHVURJKSA-N 1 0 326.396 4.401 20 30 EIEDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000430211321 1019365582 /nfs/dbraw/zinc/36/55/82/1019365582.db2.gz XRSUNNWVYVZCPX-CQSZACIVSA-N 1 0 339.395 4.058 20 30 EIEDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000339574789 1019422663 /nfs/dbraw/zinc/42/26/63/1019422663.db2.gz JEQCWBCFABZIKE-LJQANCHMSA-N 1 0 336.483 4.380 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(OC(F)(F)F)c1 ZINC000175753823 1019499664 /nfs/dbraw/zinc/49/96/64/1019499664.db2.gz FMPIZFCYCNPKEN-JTQLQIEISA-N 1 0 326.343 4.369 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1cc(OCC)ccc1O)c1ccc(F)c(F)c1 ZINC000187372614 1019513587 /nfs/dbraw/zinc/51/35/87/1019513587.db2.gz IQGZCSZXORUXRJ-IBGZPJMESA-N 1 0 333.378 4.476 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)cc1F ZINC000126950807 1019521266 /nfs/dbraw/zinc/52/12/66/1019521266.db2.gz IDBPERRLPUJWGH-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C=CCN(CC(=O)c1c[nH]c2ccccc21)Cc1ccc(OC)cc1 ZINC000109103338 1019530889 /nfs/dbraw/zinc/53/08/89/1019530889.db2.gz RFLGAWNUCQPFAR-UHFFFAOYSA-N 1 0 334.419 4.047 20 30 EIEDRO N#CCCCC[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430234784 1019554826 /nfs/dbraw/zinc/55/48/26/1019554826.db2.gz BMODOIGNPMBCSA-OAHLLOKOSA-N 1 0 325.225 4.419 20 30 EIEDRO CC[N@H+](CCCc1ccc(C#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001208860260 1019753652 /nfs/dbraw/zinc/75/36/52/1019753652.db2.gz IOKWQBLLMKDSQI-SFHVURJKSA-N 1 0 336.479 4.453 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000237210461 1032851705 /nfs/dbraw/zinc/85/17/05/1032851705.db2.gz VUAHMKMJQICJCA-IBGZPJMESA-N 1 0 337.492 4.363 20 30 EIEDRO CC1(C)C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCC[C@H]21 ZINC000339709590 1019838504 /nfs/dbraw/zinc/83/85/04/1019838504.db2.gz DWEPXUOUIWAXAI-UYAOXDASSA-N 1 0 349.478 4.248 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(Br)c1 ZINC000157749572 1019869606 /nfs/dbraw/zinc/86/96/06/1019869606.db2.gz VFGTVOUFXSTNEL-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC001167094023 1019902776 /nfs/dbraw/zinc/90/27/76/1019902776.db2.gz AVUPGGKQNSNFSK-UHFFFAOYSA-N 1 0 332.806 4.252 20 30 EIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000535626370 1019983741 /nfs/dbraw/zinc/98/37/41/1019983741.db2.gz MRYREYUBERLYRK-OAHLLOKOSA-N 1 0 326.415 4.017 20 30 EIEDRO C=CCCCCC[NH+]1CCC2(CCN(C(=O)c3ccccc3)C2)CC1 ZINC001209422916 1020306859 /nfs/dbraw/zinc/30/68/59/1020306859.db2.gz KIJPAIAWBYNZRK-UHFFFAOYSA-N 1 0 340.511 4.361 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000510209482 1020457981 /nfs/dbraw/zinc/45/79/81/1020457981.db2.gz IAZPXAXATWDGCD-ARJAWSKDSA-N 1 0 344.430 4.373 20 30 EIEDRO C#CC[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H]1CCc2ccccc21 ZINC001167178769 1020487188 /nfs/dbraw/zinc/48/71/88/1020487188.db2.gz KJFWRCQXNQPHEF-RYQLBKOJSA-N 1 0 337.385 4.109 20 30 EIEDRO COc1cccc([C@@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000175641728 1020514345 /nfs/dbraw/zinc/51/43/45/1020514345.db2.gz DYXCTEWYAGWMAC-MRXNPFEDSA-N 1 0 336.435 4.171 20 30 EIEDRO CC(C)[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CCC1 ZINC000119700300 1020560556 /nfs/dbraw/zinc/56/05/56/1020560556.db2.gz XPXMFOLRRQMZRD-OAHLLOKOSA-N 1 0 345.512 4.140 20 30 EIEDRO C=CCOc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000236681682 1020628989 /nfs/dbraw/zinc/62/89/89/1020628989.db2.gz CQKFOOIASDJXOY-UHFFFAOYSA-N 1 0 328.500 4.138 20 30 EIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001167251122 1020671447 /nfs/dbraw/zinc/67/14/47/1020671447.db2.gz ARRFWATWNCEOSI-FCHUYYIVSA-N 1 0 332.447 4.467 20 30 EIEDRO CC[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)Oc1cccc(F)c1 ZINC000175799131 1020799007 /nfs/dbraw/zinc/79/90/07/1020799007.db2.gz BKCPIDGXKHXZLN-CRAIPNDOSA-N 1 0 342.414 4.064 20 30 EIEDRO Cc1cc(C)cc(-c2ccc(C[NH2+]C3CCN(CC#N)CC3)cc2)c1 ZINC000610270904 1020831252 /nfs/dbraw/zinc/83/12/52/1020831252.db2.gz GNEXHWZTCMWSAA-UHFFFAOYSA-N 1 0 333.479 4.048 20 30 EIEDRO Fc1ccc(C#CC[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000120919967 1020866628 /nfs/dbraw/zinc/86/66/28/1020866628.db2.gz LEUBRKRZMWJGRK-UHFFFAOYSA-N 1 0 343.829 4.126 20 30 EIEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000375612959 1020929856 /nfs/dbraw/zinc/92/98/56/1020929856.db2.gz PFYMDJDHEPAPOG-GOSISDBHSA-N 1 0 334.410 4.202 20 30 EIEDRO CCO[C@@H](CC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C1CCCC1 ZINC000177583544 1020990447 /nfs/dbraw/zinc/99/04/47/1020990447.db2.gz CYRFOKOUBUQCJA-UZLBHIALSA-N 1 0 330.472 4.052 20 30 EIEDRO N#CCCC[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000340444278 1021039237 /nfs/dbraw/zinc/03/92/37/1021039237.db2.gz HZMWQUGEVANHAL-QFIPXVFZSA-N 1 0 348.494 4.071 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000340444277 1021040107 /nfs/dbraw/zinc/04/01/07/1021040107.db2.gz HZMWQUGEVANHAL-JOCHJYFZSA-N 1 0 348.494 4.071 20 30 EIEDRO N#CCCC[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000340449739 1021045742 /nfs/dbraw/zinc/04/57/42/1021045742.db2.gz WPAFJIQGQTZTBB-OWCLPIDISA-N 1 0 326.362 4.121 20 30 EIEDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000340451003 1021046277 /nfs/dbraw/zinc/04/62/77/1021046277.db2.gz YZOBWOUZUVSFTB-AABGKKOBSA-N 1 0 336.483 4.471 20 30 EIEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C[C@@H]1C ZINC000340458121 1021052917 /nfs/dbraw/zinc/05/29/17/1021052917.db2.gz XYUCMFXIGBIYAH-IJXRJRJASA-N 1 0 342.483 4.379 20 30 EIEDRO C[C@@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO[C@H]1C1CC1 ZINC000468045132 1021153036 /nfs/dbraw/zinc/15/30/36/1021153036.db2.gz QEISPBZWPQOALT-INAZGPRKSA-N 1 0 338.495 4.185 20 30 EIEDRO N#Cc1ccccc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000610337625 1021319858 /nfs/dbraw/zinc/31/98/58/1021319858.db2.gz NQLBXKNYTKOGQK-UHFFFAOYSA-N 1 0 325.843 4.288 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)c1cccc(C#N)c1 ZINC000610344671 1021345097 /nfs/dbraw/zinc/34/50/97/1021345097.db2.gz DKRWBZWVUXBFPK-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO N#Cc1csc(C[NH2+]CCc2csc(-c3ccccc3)n2)c1 ZINC000177681928 1021366814 /nfs/dbraw/zinc/36/68/14/1021366814.db2.gz HNPITPUJUMRHAM-UHFFFAOYSA-N 1 0 325.462 4.076 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)c1 ZINC000177687700 1021432489 /nfs/dbraw/zinc/43/24/89/1021432489.db2.gz ATVIMRGIZQESLN-UHFFFAOYSA-N 1 0 339.464 4.038 20 30 EIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cc(C#N)cs1 ZINC000177690740 1021452426 /nfs/dbraw/zinc/45/24/26/1021452426.db2.gz BZEXRTGZVJFDFB-LLVKDONJSA-N 1 0 335.270 4.103 20 30 EIEDRO C=C(C)C[N@@H+](CCOc1ccc(F)cc1)Cc1cnn(C(C)C)c1 ZINC000512522837 1032983166 /nfs/dbraw/zinc/98/31/66/1032983166.db2.gz ZTIBKELNUXTNMG-UHFFFAOYSA-N 1 0 331.435 4.060 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177694533 1021534464 /nfs/dbraw/zinc/53/44/64/1021534464.db2.gz SEWXRBQFILGMJU-CQSZACIVSA-N 1 0 345.899 4.198 20 30 EIEDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1cc(C#N)cs1 ZINC000177696179 1021539473 /nfs/dbraw/zinc/53/94/73/1021539473.db2.gz ULYASHGJGPISPW-CYBMUJFWSA-N 1 0 332.494 4.146 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c(F)c1 ZINC000610370718 1021548382 /nfs/dbraw/zinc/54/83/82/1021548382.db2.gz LYHLUVWQYSBUTG-INIZCTEOSA-N 1 0 326.440 4.312 20 30 EIEDRO COc1cccc(C[NH2+]Cc2cc(C#N)cs2)c1OC1CCCC1 ZINC000177700126 1021554517 /nfs/dbraw/zinc/55/45/17/1021554517.db2.gz GCPZMHRNZBCENL-UHFFFAOYSA-N 1 0 342.464 4.240 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC(C)(C)C(F)(F)F)ccc1OC ZINC000548973535 1021617626 /nfs/dbraw/zinc/61/76/26/1021617626.db2.gz UVDRHEDHEOJCOH-UHFFFAOYSA-N 1 0 331.378 4.328 20 30 EIEDRO N#Cc1csc(C[NH2+]C2(c3cccc(Br)c3)CC2)c1 ZINC000177704974 1021623163 /nfs/dbraw/zinc/62/31/63/1021623163.db2.gz JVVRVQAQQUUDBO-UHFFFAOYSA-N 1 0 333.254 4.161 20 30 EIEDRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177708061 1021628497 /nfs/dbraw/zinc/62/84/97/1021628497.db2.gz QHGJDNDZLYYSAJ-PKOBYXMFSA-N 1 0 326.465 4.186 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(C#N)cc1 ZINC000376165997 1021638187 /nfs/dbraw/zinc/63/81/87/1021638187.db2.gz KJBULWUKDGWFEO-HOCLYGCPSA-N 1 0 341.405 4.014 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000187594004 1021707647 /nfs/dbraw/zinc/70/76/47/1021707647.db2.gz GOVCMURPUTYCKT-ZBFHGGJFSA-N 1 0 342.389 4.245 20 30 EIEDRO C=CCN(Cc1ccccc1F)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431737801 1021711398 /nfs/dbraw/zinc/71/13/98/1021711398.db2.gz UGJNOTDBAFGLMI-HXUWFJFHSA-N 1 0 340.442 4.033 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000177993724 1021848941 /nfs/dbraw/zinc/84/89/41/1021848941.db2.gz FWLBLGNDFBDOBU-MOPGFXCFSA-N 1 0 326.827 4.082 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CC1CC1)C1CCCCC1 ZINC000581740724 1021865403 /nfs/dbraw/zinc/86/54/03/1021865403.db2.gz KBQMCJMUJRGAHC-UHFFFAOYSA-N 1 0 345.874 4.195 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCCO2 ZINC000581973277 1021892644 /nfs/dbraw/zinc/89/26/44/1021892644.db2.gz GKFDCYDPJHLLBC-DENIHFKCSA-N 1 0 348.446 4.304 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)cc1 ZINC000512531190 1033023333 /nfs/dbraw/zinc/02/33/33/1033023333.db2.gz FAKIIDMOSRRWAU-UHFFFAOYSA-N 1 0 333.435 4.240 20 30 EIEDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000414173399 1022029308 /nfs/dbraw/zinc/02/93/08/1022029308.db2.gz WZSRSEIKLLJKHO-HNNXBMFYSA-N 1 0 330.476 4.151 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)nc32)cc1Cl ZINC000377837932 1022042910 /nfs/dbraw/zinc/04/29/10/1022042910.db2.gz SSVGKLGBHYQXOZ-MRXNPFEDSA-N 1 0 345.874 4.077 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000537017982 1022098800 /nfs/dbraw/zinc/09/88/00/1022098800.db2.gz BCEVVPPPLJDUJL-CQSZACIVSA-N 1 0 346.377 4.279 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC001167412533 1022104839 /nfs/dbraw/zinc/10/48/39/1022104839.db2.gz MQICIIDJHDIMLW-MGPUTAFESA-N 1 0 338.476 4.245 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000178179171 1022140835 /nfs/dbraw/zinc/14/08/35/1022140835.db2.gz KSCGGGMVNOSPBR-HOTGVXAUSA-N 1 0 333.435 4.097 20 30 EIEDRO N#CCCCC[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000178646123 1022156659 /nfs/dbraw/zinc/15/66/59/1022156659.db2.gz IRCAQXMEWHZROR-ZDUSSCGKSA-N 1 0 325.275 4.269 20 30 EIEDRO N#CCCn1cc(C[NH2+]C/C=C\c2ccccc2)c(-c2ccccc2)n1 ZINC000255596212 1022203659 /nfs/dbraw/zinc/20/36/59/1022203659.db2.gz MPKNWGLFUOWVRN-XFFZJAGNSA-N 1 0 342.446 4.267 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](Cc1nc(C)no1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278802043 1022215009 /nfs/dbraw/zinc/21/50/09/1022215009.db2.gz RFGCOIQLMANBFV-UXHICEINSA-N 1 0 346.434 4.274 20 30 EIEDRO CC(C)(C#N)CCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000610447486 1022232605 /nfs/dbraw/zinc/23/26/05/1022232605.db2.gz HAODHJWNUIMVMQ-UHFFFAOYSA-N 1 0 328.456 4.490 20 30 EIEDRO C=CC[C@H]1N(C(=O)Nc2cccc(C[NH2+]CC)c2)CCCC1(C)C ZINC000415918538 1022236591 /nfs/dbraw/zinc/23/65/91/1022236591.db2.gz LIQHMMBEUVTHQG-GOSISDBHSA-N 1 0 329.488 4.395 20 30 EIEDRO C#CC[N@H+](CC1CCCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC001167420426 1022239681 /nfs/dbraw/zinc/23/96/81/1022239681.db2.gz DVHUGCVMJSQPOI-KRWDZBQOSA-N 1 0 348.284 4.398 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2)C1 ZINC000414246992 1022301098 /nfs/dbraw/zinc/30/10/98/1022301098.db2.gz SUIDNFFBIRCURK-HZMBPMFUSA-N 1 0 327.653 4.274 20 30 EIEDRO C=CCN(Cc1ccccc1F)Cc1ccccc1OCCOC ZINC000511537256 1022352378 /nfs/dbraw/zinc/35/23/78/1022352378.db2.gz MQTLNTSCHLKFPG-UHFFFAOYSA-N 1 0 329.415 4.039 20 30 EIEDRO C=CCCCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000471607212 1022355221 /nfs/dbraw/zinc/35/52/21/1022355221.db2.gz SFGRMJHOCAVEBT-ZDUSSCGKSA-N 1 0 339.277 4.112 20 30 EIEDRO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000255684628 1022370485 /nfs/dbraw/zinc/37/04/85/1022370485.db2.gz PXBMDDLWLGSMRU-QZTJIDSGSA-N 1 0 349.478 4.161 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(COC(C)(C)C)c2)cc1 ZINC000236574979 1022398603 /nfs/dbraw/zinc/39/86/03/1022398603.db2.gz SJUOYHWSBVETCJ-UHFFFAOYSA-N 1 0 337.463 4.304 20 30 EIEDRO N#Cc1cnc2ccccc2c1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311542936 1022422313 /nfs/dbraw/zinc/42/23/13/1022422313.db2.gz UGHUHPDQPMUSLI-GOSISDBHSA-N 1 0 342.446 4.040 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000414304356 1022455307 /nfs/dbraw/zinc/45/53/07/1022455307.db2.gz OPYKEGOFIVRPDH-CTWPCTMYSA-N 1 0 339.483 4.435 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCC[C@H]2CCCCO2)ccc1OC ZINC000186286694 1022559178 /nfs/dbraw/zinc/55/91/78/1022559178.db2.gz MJZUVCQFEOCJHI-GOSISDBHSA-N 1 0 333.472 4.089 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCS(=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000893185666 1022569153 /nfs/dbraw/zinc/56/91/53/1022569153.db2.gz ZTQPGWIHVGQFLP-PMFMOCITSA-N 1 0 345.430 4.213 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000180360368 1022571333 /nfs/dbraw/zinc/57/13/33/1022571333.db2.gz ZGJBTWJMWHKINB-AWEZNQCLSA-N 1 0 341.436 4.050 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659921349 1022572244 /nfs/dbraw/zinc/57/22/44/1022572244.db2.gz WCHQXHPONCVTRV-IBGZPJMESA-N 1 0 334.548 4.339 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000580860819 1022630188 /nfs/dbraw/zinc/63/01/88/1022630188.db2.gz LTBANCMDRGDQGB-DQYPLSBCSA-N 1 0 336.273 4.007 20 30 EIEDRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000127494337 1022683401 /nfs/dbraw/zinc/68/34/01/1022683401.db2.gz XPOBRGFPNPQNKQ-IRXDYDNUSA-N 1 0 335.451 4.161 20 30 EIEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001167439515 1022719913 /nfs/dbraw/zinc/71/99/13/1022719913.db2.gz YOZCCVLLWUQCPM-IFIJOSMWSA-N 1 0 333.273 4.474 20 30 EIEDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001167439517 1022722144 /nfs/dbraw/zinc/72/21/44/1022722144.db2.gz YOZCCVLLWUQCPM-SUYBPPKGSA-N 1 0 333.273 4.474 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000580982817 1022776259 /nfs/dbraw/zinc/77/62/59/1022776259.db2.gz ZOPSCBWHFHYXMA-FCHUYYIVSA-N 1 0 333.479 4.218 20 30 EIEDRO CC[C@@H](CC(F)F)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000659970921 1022790026 /nfs/dbraw/zinc/79/00/26/1022790026.db2.gz SDIQCTWRSGLMER-XHNCKOQMSA-N 1 0 327.259 4.340 20 30 EIEDRO COc1ccccc1C1CC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000378477281 1022837546 /nfs/dbraw/zinc/83/75/46/1022837546.db2.gz STMMSBNHJXOTLC-ZLPCBKJTSA-N 1 0 336.435 4.194 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180932342 1022863540 /nfs/dbraw/zinc/86/35/40/1022863540.db2.gz AKLYGUULNPJMAU-KSFYIVLOSA-N 1 0 343.430 4.004 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000181606553 1022871630 /nfs/dbraw/zinc/87/16/30/1022871630.db2.gz FIJDSBSSBUSTGC-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000365803280 1022881816 /nfs/dbraw/zinc/88/18/16/1022881816.db2.gz BADWVPLRQGRNPQ-CJNGLKHVSA-N 1 0 325.437 4.025 20 30 EIEDRO C[C@@H](c1cccc(-c2ccncc2)c1)[N@H+](C)CCCSCC#N ZINC000364034562 1023165323 /nfs/dbraw/zinc/16/53/23/1023165323.db2.gz ODSSWJPURZLPOB-INIZCTEOSA-N 1 0 325.481 4.388 20 30 EIEDRO C=CCCC[C@H](C(=O)NCC1CC[NH+](CCC)CC1)c1ccccc1 ZINC001143392934 1023195501 /nfs/dbraw/zinc/19/55/01/1023195501.db2.gz XAETUINYNTXBJY-NRFANRHFSA-N 1 0 342.527 4.365 20 30 EIEDRO Cc1c[nH+]ccc1N1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000330034440 1023212973 /nfs/dbraw/zinc/21/29/73/1023212973.db2.gz AZJOZDZBJZDZPC-INIZCTEOSA-N 1 0 335.407 4.110 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)s1 ZINC000414524105 1023248904 /nfs/dbraw/zinc/24/89/04/1023248904.db2.gz HQJPNLAEJFHHMX-LJQANCHMSA-N 1 0 340.492 4.393 20 30 EIEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417368970 1023292378 /nfs/dbraw/zinc/29/23/78/1023292378.db2.gz QUDFBVTYNYNLCL-AUUYWEPGSA-N 1 0 335.407 4.065 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2nc(C(C)(C)C)cs2)cc1 ZINC000236622658 1023296182 /nfs/dbraw/zinc/29/61/82/1023296182.db2.gz GZDZMHYWSKXPNB-UHFFFAOYSA-N 1 0 342.508 4.175 20 30 EIEDRO C[C@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(OCC#N)cc1 ZINC000376802532 1023314292 /nfs/dbraw/zinc/31/42/92/1023314292.db2.gz BHAMNDSQHISVSG-YVEFUNNKSA-N 1 0 328.799 4.027 20 30 EIEDRO C[C@@H](CC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C)n1ccnc1 ZINC000584783274 1023315139 /nfs/dbraw/zinc/31/51/39/1023315139.db2.gz AAVRQQSKBJLDPX-XQQFMLRXSA-N 1 0 342.468 4.092 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000178281771 1023322229 /nfs/dbraw/zinc/32/22/29/1023322229.db2.gz NOBBGOQTRHPVHQ-CQSZACIVSA-N 1 0 331.362 4.151 20 30 EIEDRO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376854271 1023325178 /nfs/dbraw/zinc/32/51/78/1023325178.db2.gz AJKWEDVCADWEIC-MCIONIFRSA-N 1 0 341.480 4.288 20 30 EIEDRO C[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)c1ccc(OCC#N)cc1 ZINC000834895071 1023344976 /nfs/dbraw/zinc/34/49/76/1023344976.db2.gz XCRJSVGMHIRHSS-SWLSCSKDSA-N 1 0 327.255 4.214 20 30 EIEDRO C=CC[N@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)CC1CCCCC1 ZINC000549137329 1023365294 /nfs/dbraw/zinc/36/52/94/1023365294.db2.gz QGXQDEXIOQPNRS-HXUWFJFHSA-N 1 0 340.511 4.217 20 30 EIEDRO Cc1cnn(-c2ccc([C@H](C)[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2F)c1 ZINC000377084883 1023365335 /nfs/dbraw/zinc/36/53/35/1023365335.db2.gz UNFDBGWTZFYPAJ-UXLLHSPISA-N 1 0 326.419 4.053 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276373696 1023396176 /nfs/dbraw/zinc/39/61/76/1023396176.db2.gz DNYFPVAJPYVMAZ-MOPGFXCFSA-N 1 0 341.499 4.287 20 30 EIEDRO C=CCCC1(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CCCC1 ZINC000656680977 1023428013 /nfs/dbraw/zinc/42/80/13/1023428013.db2.gz YHIDTNAMKRWMNE-INIZCTEOSA-N 1 0 335.513 4.267 20 30 EIEDRO N#CCSCCC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549180460 1023434050 /nfs/dbraw/zinc/43/40/50/1023434050.db2.gz PAZFVFVDOSQETG-OAHLLOKOSA-N 1 0 346.393 4.223 20 30 EIEDRO Cc1cccn2c(/C=C\C(=O)c3ccc([N+](=O)[O-])cc3Cl)cnc12 ZINC000588421499 1023501734 /nfs/dbraw/zinc/50/17/34/1023501734.db2.gz KBTYQYTYNYYTHY-ALCCZGGFSA-N 1 0 341.754 4.100 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)Cc2ccccc2C)cc(OC)c1O ZINC000500119240 1023516372 /nfs/dbraw/zinc/51/63/72/1023516372.db2.gz FBISDEAZRBKKFN-MRXNPFEDSA-N 1 0 325.452 4.159 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNc1snc(Cl)c1C#N)c1ccccc1 ZINC000092649865 1023542117 /nfs/dbraw/zinc/54/21/17/1023542117.db2.gz KBSYXVUTPWWJTB-LLVKDONJSA-N 1 0 334.876 4.209 20 30 EIEDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CC3 ZINC000123139514 1023543687 /nfs/dbraw/zinc/54/36/87/1023543687.db2.gz XLPCQWQICPSJER-YOEHRIQHSA-N 1 0 345.446 4.256 20 30 EIEDRO C[C@H]1CCc2nc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)sc2C1 ZINC000418140727 1023561107 /nfs/dbraw/zinc/56/11/07/1023561107.db2.gz FPJGWEUGXIJZJW-GUYCJALGSA-N 1 0 337.492 4.307 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000549251380 1023563147 /nfs/dbraw/zinc/56/31/47/1023563147.db2.gz SIZFOFHESMZPRH-UHFFFAOYSA-N 1 0 347.462 4.250 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000418145474 1023563373 /nfs/dbraw/zinc/56/33/73/1023563373.db2.gz NEMMGBVJKVVVRR-CQSZACIVSA-N 1 0 337.370 4.201 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000418146405 1023564738 /nfs/dbraw/zinc/56/47/38/1023564738.db2.gz PIATVLLWFYQTDC-KRWDZBQOSA-N 1 0 334.448 4.177 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3cccc(F)c3)CCCCC2)n1 ZINC000583841907 1023624420 /nfs/dbraw/zinc/62/44/20/1023624420.db2.gz RGGCXGDLWVITRN-UHFFFAOYSA-N 1 0 329.444 4.146 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(Br)c3)CCC2)o1 ZINC000236778025 1023653336 /nfs/dbraw/zinc/65/33/36/1023653336.db2.gz JRKCBNHFUZPHOD-UHFFFAOYSA-N 1 0 345.240 4.125 20 30 EIEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000472838553 1023698156 /nfs/dbraw/zinc/69/81/56/1023698156.db2.gz ZKRXJRYGIDKGID-SFHVURJKSA-N 1 0 327.472 4.178 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415577510 1023701661 /nfs/dbraw/zinc/70/16/61/1023701661.db2.gz HGIBYZRAGQUPHJ-HNNXBMFYSA-N 1 0 329.488 4.130 20 30 EIEDRO CC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000759842341 1023703217 /nfs/dbraw/zinc/70/32/17/1023703217.db2.gz CHQTVEQYZLCLEL-YJYMSZOUSA-N 1 0 346.833 4.467 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000759842340 1023703986 /nfs/dbraw/zinc/70/39/86/1023703986.db2.gz CHQTVEQYZLCLEL-ORAYPTAESA-N 1 0 346.833 4.467 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415583152 1023709976 /nfs/dbraw/zinc/70/99/76/1023709976.db2.gz QKBLHFATKAENIC-GOSISDBHSA-N 1 0 331.504 4.376 20 30 EIEDRO CC(C)(C#N)CCC[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000471711016 1023726137 /nfs/dbraw/zinc/72/61/37/1023726137.db2.gz FIDHANMQMCOVFC-UHFFFAOYSA-N 1 0 335.495 4.287 20 30 EIEDRO C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000644803232 1023735314 /nfs/dbraw/zinc/73/53/14/1023735314.db2.gz KRJRIIYMVGIPLL-SLFFLAALSA-N 1 0 340.511 4.006 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000728711771 1023761107 /nfs/dbraw/zinc/76/11/07/1023761107.db2.gz ITRXVRWXZKCCAO-KUHUBIRLSA-N 1 0 340.398 4.120 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000728711773 1023761974 /nfs/dbraw/zinc/76/19/74/1023761974.db2.gz ITRXVRWXZKCCAO-LIRRHRJNSA-N 1 0 340.398 4.120 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000053722056 1023785981 /nfs/dbraw/zinc/78/59/81/1023785981.db2.gz MUUBBXVYAJGXEC-QGZVFWFLSA-N 1 0 347.462 4.379 20 30 EIEDRO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000511731817 1023843339 /nfs/dbraw/zinc/84/33/39/1023843339.db2.gz QTPBTQOLXQHKAQ-FCHUYYIVSA-N 1 0 348.490 4.127 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511769121 1023876010 /nfs/dbraw/zinc/87/60/10/1023876010.db2.gz MMCOUKROULFSBA-HKUYNNGSSA-N 1 0 328.500 4.006 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000294927273 1023888747 /nfs/dbraw/zinc/88/87/47/1023888747.db2.gz BIQYTKAASUGPPM-JSGCOSHPSA-N 1 0 344.256 4.169 20 30 EIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000157766853 1023889531 /nfs/dbraw/zinc/88/95/31/1023889531.db2.gz SUDIOELXLOTPDB-AWEZNQCLSA-N 1 0 329.875 4.302 20 30 EIEDRO O=C1C=COC2(CC[NH+](Cc3ccc(-c4cccs4)cc3)CC2)C1 ZINC000933646037 1023937366 /nfs/dbraw/zinc/93/73/66/1023937366.db2.gz DSLXDPDZMGYOTH-UHFFFAOYSA-N 1 0 339.460 4.253 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000651759186 1023982033 /nfs/dbraw/zinc/98/20/33/1023982033.db2.gz DFNGWCXTCHNKTP-RHSMWYFYSA-N 1 0 329.419 4.143 20 30 EIEDRO N#CCC1(C[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000430732072 1023984073 /nfs/dbraw/zinc/98/40/73/1023984073.db2.gz YRCKEIOOYRCOIJ-SFHVURJKSA-N 1 0 325.843 4.302 20 30 EIEDRO C=CC[C@@]1(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)CCC[NH2+]1 ZINC000662749772 1023999354 /nfs/dbraw/zinc/99/93/54/1023999354.db2.gz QFNMBONVSCZIHF-UWJYYQICSA-N 1 0 341.499 4.011 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592177139 1024074294 /nfs/dbraw/zinc/07/42/94/1024074294.db2.gz LLAPHMRMJRBCQC-LJQANCHMSA-N 1 0 326.484 4.366 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000661117525 1024247228 /nfs/dbraw/zinc/24/72/28/1024247228.db2.gz RMHYGTOWLQVYNI-UKRRQHHQSA-N 1 0 340.389 4.368 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3csc(CC)n3)CC2)C1 ZINC000651714101 1024247524 /nfs/dbraw/zinc/24/75/24/1024247524.db2.gz PNEIBZITPZDLLU-WMZOPIPTSA-N 1 0 347.572 4.252 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)C1 ZINC000651716662 1024255145 /nfs/dbraw/zinc/25/51/45/1024255145.db2.gz DRHJMCMZHRNCTH-SBHAEUEKSA-N 1 0 342.527 4.221 20 30 EIEDRO CCc1ccc(-c2noc([C@H](C)[NH2+]CC(C)(C)CCC#N)n2)cc1 ZINC000276804287 1024307886 /nfs/dbraw/zinc/30/78/86/1024307886.db2.gz WDIGWTSTGZOFDP-AWEZNQCLSA-N 1 0 326.444 4.280 20 30 EIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)c1C ZINC001167493540 1024341434 /nfs/dbraw/zinc/34/14/34/1024341434.db2.gz ZNOLYDNWXIWREQ-ICSRJNTNSA-N 1 0 326.484 4.275 20 30 EIEDRO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000090666067 1024459175 /nfs/dbraw/zinc/45/91/75/1024459175.db2.gz ZMOFCBLXGVZKSH-PBHICJAKSA-N 1 0 343.496 4.336 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341758425 1024617408 /nfs/dbraw/zinc/61/74/08/1024617408.db2.gz PJOLCFNEMLVTRR-PMACEKPBSA-N 1 0 348.446 4.448 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(Br)cc1 ZINC000341761631 1024626900 /nfs/dbraw/zinc/62/69/00/1024626900.db2.gz RNLKBMFODFRJJP-SFHVURJKSA-N 1 0 341.252 4.488 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000092736040 1024809117 /nfs/dbraw/zinc/80/91/17/1024809117.db2.gz CBWJEULFWSNCOO-KRWDZBQOSA-N 1 0 342.483 4.291 20 30 EIEDRO C=CCC[C@@H](C)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000544610875 1024834184 /nfs/dbraw/zinc/83/41/84/1024834184.db2.gz COLBOUIWGYDFBN-QGZVFWFLSA-N 1 0 329.488 4.268 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1ccc(C#N)cc1 ZINC000477916074 1024890151 /nfs/dbraw/zinc/89/01/51/1024890151.db2.gz QHYQVSVITDUAJA-CYBMUJFWSA-N 1 0 349.356 4.092 20 30 EIEDRO C#CCCCCCCCCC(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161257948 1033243368 /nfs/dbraw/zinc/24/33/68/1033243368.db2.gz GKVYGPHYUOLBDR-UHFFFAOYSA-N 1 0 334.548 4.367 20 30 EIEDRO CC(C)CC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000610813561 1025018506 /nfs/dbraw/zinc/01/85/06/1025018506.db2.gz KWCDQMLYJLKGOS-IBGZPJMESA-N 1 0 333.907 4.395 20 30 EIEDRO CN(Cc1ccc(Br)s1)Cc1ccc(C#N)cc1F ZINC000053899186 1025048080 /nfs/dbraw/zinc/04/80/80/1025048080.db2.gz KPGCGFHPIRAHIJ-UHFFFAOYSA-N 1 0 339.233 4.153 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1cccc(C#N)c1 ZINC000610830304 1025052288 /nfs/dbraw/zinc/05/22/88/1025052288.db2.gz KUWFCOHPJYZQST-CQSZACIVSA-N 1 0 341.405 4.156 20 30 EIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1C ZINC000610829933 1025052794 /nfs/dbraw/zinc/05/27/94/1025052794.db2.gz SSBORQVFXTZFGH-WBVHZDCISA-N 1 0 335.451 4.243 20 30 EIEDRO COc1ccccc1/C=C\C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535840940 1025106410 /nfs/dbraw/zinc/10/64/10/1025106410.db2.gz NCRBKWXODRCBBE-XQRVVYSFSA-N 1 0 330.431 4.369 20 30 EIEDRO N#Cc1ccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(F)c1 ZINC000610946850 1025153481 /nfs/dbraw/zinc/15/34/81/1025153481.db2.gz YNLXYDJXQRVISZ-NRFANRHFSA-N 1 0 337.442 4.014 20 30 EIEDRO N#Cc1cc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)ccn1 ZINC000610992420 1025236633 /nfs/dbraw/zinc/23/66/33/1025236633.db2.gz CKKBDYOCAHVTOY-UHFFFAOYSA-N 1 0 349.434 4.017 20 30 EIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610994817 1025241227 /nfs/dbraw/zinc/24/12/27/1025241227.db2.gz NFWGEICKPHJBEM-FQEVSTJZSA-N 1 0 345.450 4.221 20 30 EIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998937 1025252327 /nfs/dbraw/zinc/25/23/27/1025252327.db2.gz VXWTUECUSDAQRE-XMSQKQJNSA-N 1 0 344.462 4.464 20 30 EIEDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc(C#N)cs3)cc2)CC1 ZINC000084274414 1025337383 /nfs/dbraw/zinc/33/73/83/1025337383.db2.gz YVXKBWSZRGGCNS-UHFFFAOYSA-N 1 0 339.464 4.104 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cccc(OCCCOC)c1)c1ccc(C#N)cc1 ZINC000278894995 1025353072 /nfs/dbraw/zinc/35/30/72/1025353072.db2.gz YVPXXEDQCQZFAI-OAQYLSRUSA-N 1 0 338.451 4.214 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000611559891 1025371556 /nfs/dbraw/zinc/37/15/56/1025371556.db2.gz HRLGVUNZBHJZQK-SFHVURJKSA-N 1 0 330.353 4.185 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(C(F)(F)F)cc1 ZINC000342229882 1025511602 /nfs/dbraw/zinc/51/16/02/1025511602.db2.gz VVRNBHYIASZRGR-QGZVFWFLSA-N 1 0 337.389 4.279 20 30 EIEDRO CCCC[N@H+](C)CC1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000585718047 1025800966 /nfs/dbraw/zinc/80/09/66/1025800966.db2.gz AYHMJZQPHLODRQ-IBGZPJMESA-N 1 0 333.907 4.349 20 30 EIEDRO N#CCN1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3)cc2)CC1 ZINC000585742013 1025815124 /nfs/dbraw/zinc/81/51/24/1025815124.db2.gz LCXQNIDWXRRRCA-UHFFFAOYSA-N 1 0 339.870 4.085 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1OCCCC#N ZINC000342308065 1025822303 /nfs/dbraw/zinc/82/23/03/1025822303.db2.gz XUAUFSRNZSQPJY-UHFFFAOYSA-N 1 0 349.434 4.149 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cscc2C#N)cc1 ZINC000432400102 1025864856 /nfs/dbraw/zinc/86/48/56/1025864856.db2.gz JMYLDYJHSCYXCQ-CQSZACIVSA-N 1 0 339.464 4.246 20 30 EIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(N2CCOC2=O)c1 ZINC000278963653 1025870779 /nfs/dbraw/zinc/87/07/79/1025870779.db2.gz ZTOUEFBJEKGTCN-OAHLLOKOSA-N 1 0 329.444 4.014 20 30 EIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(C#N)c1F ZINC000539238493 1025890515 /nfs/dbraw/zinc/89/05/15/1025890515.db2.gz KXYDAFLQAAEGJR-GOSISDBHSA-N 1 0 347.821 4.083 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccnc4ccccc43)CC2)cc1 ZINC000582070139 1026073385 /nfs/dbraw/zinc/07/33/85/1026073385.db2.gz ABJFXBRAPATNNN-UHFFFAOYSA-N 1 0 327.431 4.486 20 30 EIEDRO COc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)ccc1C#N ZINC000582092153 1026133058 /nfs/dbraw/zinc/13/30/58/1026133058.db2.gz CMVOYNDWTXCJGY-UHFFFAOYSA-N 1 0 345.446 4.061 20 30 EIEDRO Fc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)cc1OC(F)(F)F ZINC001143436700 1026180966 /nfs/dbraw/zinc/18/09/66/1026180966.db2.gz RTKNYYSZXYBYNY-GFCCVEGCSA-N 1 0 345.258 4.294 20 30 EIEDRO COc1cccc(C[C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000344315317 1026238366 /nfs/dbraw/zinc/23/83/66/1026238366.db2.gz WMDLZDBDICVKAP-KRWDZBQOSA-N 1 0 338.451 4.099 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000319843603 1026249879 /nfs/dbraw/zinc/24/98/79/1026249879.db2.gz OQUXWNUFYUCIBS-QGZVFWFLSA-N 1 0 327.424 4.164 20 30 EIEDRO C=CCCn1cc(C[NH2+]CC2(Sc3ccccc3)CCCC2)nn1 ZINC000657356006 1026251127 /nfs/dbraw/zinc/25/11/27/1026251127.db2.gz DXFWACKXCYWQBW-UHFFFAOYSA-N 1 0 342.512 4.049 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1OCCCC#N ZINC000344355819 1026269382 /nfs/dbraw/zinc/26/93/82/1026269382.db2.gz SCNKNBFILIYGOO-GUDVDZBRSA-N 1 0 342.483 4.436 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143444384 1026394492 /nfs/dbraw/zinc/39/44/92/1026394492.db2.gz SIAWEFISUAIYHF-UHFFFAOYSA-N 1 0 338.304 4.228 20 30 EIEDRO C#Cc1cccc(C[NH2+]Cc2sccc2NC(=O)OC(C)(C)C)c1 ZINC000894774919 1026416450 /nfs/dbraw/zinc/41/64/50/1026416450.db2.gz AFATXORKROGAHO-UHFFFAOYSA-N 1 0 342.464 4.366 20 30 EIEDRO C[C@@H]1CSC[C@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000512199001 1026419311 /nfs/dbraw/zinc/41/93/11/1026419311.db2.gz BZHJMDCCXQLXBS-YLJYHZDGSA-N 1 0 336.504 4.227 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c(-c2ccncc2)n1 ZINC000279464963 1026438862 /nfs/dbraw/zinc/43/88/62/1026438862.db2.gz UVRMVCYCWZMUDV-HXUWFJFHSA-N 1 0 349.482 4.013 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000540701129 1026458947 /nfs/dbraw/zinc/45/89/47/1026458947.db2.gz AKTGISKDNRHFIM-CYBMUJFWSA-N 1 0 332.419 4.420 20 30 EIEDRO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000338361047 1026519791 /nfs/dbraw/zinc/51/97/91/1026519791.db2.gz OJLDOIPWEUMHFX-WWMYMODYSA-N 1 0 349.478 4.255 20 30 EIEDRO CN(C(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C)C1(C#N)CCCCC1 ZINC000507001638 1026573551 /nfs/dbraw/zinc/57/35/51/1026573551.db2.gz KMIBMFBAIJSJQX-LJQANCHMSA-N 1 0 341.499 4.048 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1 ZINC000127616893 1026601915 /nfs/dbraw/zinc/60/19/15/1026601915.db2.gz ONWLEOSVPDVDOY-RCDICMHDSA-N 1 0 343.920 4.016 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512294249 1026659391 /nfs/dbraw/zinc/65/93/91/1026659391.db2.gz OCDZZVSDKIXYSX-INIZCTEOSA-N 1 0 336.435 4.171 20 30 EIEDRO C=CCn1cc(C[N@@H+](C)[C@@H](C)c2ccc(Br)cc2)cn1 ZINC001139774776 1026683386 /nfs/dbraw/zinc/68/33/86/1026683386.db2.gz VSVCZKRMKBSUJM-ZDUSSCGKSA-N 1 0 334.261 4.025 20 30 EIEDRO CC(C)N(Cc1cnc([C@@H]2CCCO2)s1)Cc1ccc(C#N)cc1 ZINC000507173093 1026685035 /nfs/dbraw/zinc/68/50/35/1026685035.db2.gz KKDKCRCMLCELJD-SFHVURJKSA-N 1 0 341.480 4.277 20 30 EIEDRO CC(C)[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000507176048 1026686670 /nfs/dbraw/zinc/68/66/70/1026686670.db2.gz WUHOBJNCNKAOOQ-UHFFFAOYSA-N 1 0 330.435 4.359 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1OCC(C)C ZINC000507248864 1026722570 /nfs/dbraw/zinc/72/25/70/1026722570.db2.gz YCNLKKPZPWDWNV-UHFFFAOYSA-N 1 0 338.451 4.234 20 30 EIEDRO C=CCCn1cc(CNc2ccc([NH+]3CCCCCC3)cc2C)nn1 ZINC000657463749 1026802588 /nfs/dbraw/zinc/80/25/88/1026802588.db2.gz GSUQNEOSKNKKQN-UHFFFAOYSA-N 1 0 339.487 4.155 20 30 EIEDRO C[C@H](CCc1cccn1C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507605190 1026846854 /nfs/dbraw/zinc/84/68/54/1026846854.db2.gz MSJNLVHAUODQBZ-HOHBBMLPSA-N 1 0 335.495 4.340 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)o1 ZINC000479608389 1026851988 /nfs/dbraw/zinc/85/19/88/1026851988.db2.gz VLDNDXVLLRQEKP-MRXNPFEDSA-N 1 0 349.203 4.294 20 30 EIEDRO CO[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000507618407 1026855616 /nfs/dbraw/zinc/85/56/16/1026855616.db2.gz CEDINLOYEKIFBG-ORFBVSJDSA-N 1 0 334.463 4.368 20 30 EIEDRO CC(C)Oc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC000507651021 1026862314 /nfs/dbraw/zinc/86/23/14/1026862314.db2.gz CYYLHXNWUZLUNQ-UHFFFAOYSA-N 1 0 349.478 4.363 20 30 EIEDRO CC[C@H]1CCCCN1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507645524 1026863679 /nfs/dbraw/zinc/86/36/79/1026863679.db2.gz RWIFCENIZOEJFE-ORFBVSJDSA-N 1 0 339.527 4.245 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000507645144 1026864294 /nfs/dbraw/zinc/86/42/94/1026864294.db2.gz PNISYCCZZBKEMO-UHFFFAOYSA-N 1 0 326.390 4.459 20 30 EIEDRO COc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)ccc1C ZINC000507658969 1026869907 /nfs/dbraw/zinc/86/99/07/1026869907.db2.gz IJGAGVLLABEXDN-UHFFFAOYSA-N 1 0 334.463 4.497 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc(C)cc(C)c2)cc(OC)c1OC ZINC000237295496 1026884222 /nfs/dbraw/zinc/88/42/22/1026884222.db2.gz AFCFKTQZLNLWRF-UHFFFAOYSA-N 1 0 325.452 4.339 20 30 EIEDRO Cc1cccc(C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC(C)C)c1 ZINC000507721877 1026887107 /nfs/dbraw/zinc/88/71/07/1026887107.db2.gz BPYJVEPFJPJADO-UHFFFAOYSA-N 1 0 332.451 4.173 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000280795406 1026892611 /nfs/dbraw/zinc/89/26/11/1026892611.db2.gz JXAVTNCQPADFJQ-KMFMINBZSA-N 1 0 343.496 4.145 20 30 EIEDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000128062202 1026915942 /nfs/dbraw/zinc/91/59/42/1026915942.db2.gz NWGMJULEWXHBQW-CABCVRRESA-N 1 0 336.435 4.131 20 30 EIEDRO C[C@]1(CCc2ccccc2)CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001167598528 1026939189 /nfs/dbraw/zinc/93/91/89/1026939189.db2.gz IAOIFXKXETZNPD-NRFANRHFSA-N 1 0 349.434 4.311 20 30 EIEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001167598529 1026941261 /nfs/dbraw/zinc/94/12/61/1026941261.db2.gz IAOIFXKXETZNPD-OAQYLSRUSA-N 1 0 349.434 4.311 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)ccc1C#N ZINC000519675135 1026942775 /nfs/dbraw/zinc/94/27/75/1026942775.db2.gz XERXJEMNTHLFGR-SFHVURJKSA-N 1 0 326.827 4.387 20 30 EIEDRO CC[N@H+](CCC1(C#N)CCCCC1)[C@H](COC)Cc1ccccc1 ZINC001167601321 1026967306 /nfs/dbraw/zinc/96/73/06/1026967306.db2.gz BDUYWKSCHIYVFO-FQEVSTJZSA-N 1 0 328.500 4.430 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000472247373 1026999138 /nfs/dbraw/zinc/99/91/38/1026999138.db2.gz QEXCLGFDTZXLQG-MRXNPFEDSA-N 1 0 333.907 4.349 20 30 EIEDRO N#Cc1ccc(OCCC[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000076581125 1027089908 /nfs/dbraw/zinc/08/99/08/1027089908.db2.gz JRGXYEVWRNQDRM-JOCHJYFZSA-N 1 0 343.430 4.101 20 30 EIEDRO C=CCCC1(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CCCC1 ZINC000657567912 1027093238 /nfs/dbraw/zinc/09/32/38/1027093238.db2.gz ZAFPKBKRIVDBIJ-UHFFFAOYSA-N 1 0 330.472 4.000 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000061029680 1027103835 /nfs/dbraw/zinc/10/38/35/1027103835.db2.gz JTQIQHRHJKTXRO-UHFFFAOYSA-N 1 0 333.378 4.185 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277869209 1027203978 /nfs/dbraw/zinc/20/39/78/1027203978.db2.gz UQYAOCHNYNOUHD-UHFFFAOYSA-N 1 0 328.500 4.024 20 30 EIEDRO CCc1ccccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520173448 1027272717 /nfs/dbraw/zinc/27/27/17/1027272717.db2.gz KSDTXDNMXWOVRJ-UHFFFAOYSA-N 1 0 349.478 4.217 20 30 EIEDRO Cc1nc2ccccc2nc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000520173564 1027273164 /nfs/dbraw/zinc/27/31/64/1027273164.db2.gz PYXILICPLCWVAA-UHFFFAOYSA-N 1 0 344.462 4.468 20 30 EIEDRO COC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000925097857 1027292841 /nfs/dbraw/zinc/29/28/41/1027292841.db2.gz RDIGHSPLKNKQMQ-DOMZBBRYSA-N 1 0 328.378 4.311 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CCOCC1 ZINC000657632159 1027337876 /nfs/dbraw/zinc/33/78/76/1027337876.db2.gz AVQKVZYXFWNWPY-UHFFFAOYSA-N 1 0 347.462 4.240 20 30 EIEDRO C=CCC1([NH2+]Cc2cn(-c3ccccc3Cl)nc2C)CCOCC1 ZINC000657634086 1027349706 /nfs/dbraw/zinc/34/97/06/1027349706.db2.gz BBAGCNFGKSPPRD-UHFFFAOYSA-N 1 0 345.874 4.049 20 30 EIEDRO C=CCC1([NH2+]C/C(C)=C/c2ccccc2OC(F)F)CCOCC1 ZINC000657634151 1027351523 /nfs/dbraw/zinc/35/15/23/1027351523.db2.gz DBUREXXUIDLFLK-FYWRMAATSA-N 1 0 337.410 4.406 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ncn1 ZINC000428351144 1027425455 /nfs/dbraw/zinc/42/54/55/1027425455.db2.gz NBYZVDDPPPICLE-INIZCTEOSA-N 1 0 328.419 4.175 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000237284594 1027447658 /nfs/dbraw/zinc/44/76/58/1027447658.db2.gz KDPIWMLLAXVEBP-UHFFFAOYSA-N 1 0 331.415 4.150 20 30 EIEDRO CCOC(=O)c1c(C)oc(Nc2cc[nH+]c(C(C)(C)C)c2)c1C#N ZINC001213164591 1027509832 /nfs/dbraw/zinc/50/98/32/1027509832.db2.gz VFIHAGBLJPJXRY-UHFFFAOYSA-N 1 0 327.384 4.073 20 30 EIEDRO COCCCC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000441387762 1027511569 /nfs/dbraw/zinc/51/15/69/1027511569.db2.gz RHANSHYNRHFZPF-FQEVSTJZSA-N 1 0 338.451 4.214 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000161520361 1027595539 /nfs/dbraw/zinc/59/55/39/1027595539.db2.gz KDOJDAMCSVVRLH-MRXNPFEDSA-N 1 0 341.451 4.257 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@](C)(OC)CC2)ccc1OC ZINC000475565455 1027649025 /nfs/dbraw/zinc/64/90/25/1027649025.db2.gz PSYDQOAJIGAJDQ-HXUWFJFHSA-N 1 0 333.472 4.041 20 30 EIEDRO Cc1ccnc(C)c1NC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000329254839 1027674129 /nfs/dbraw/zinc/67/41/29/1027674129.db2.gz XAEKKUOERNGNGR-UHFFFAOYSA-N 1 0 344.503 4.213 20 30 EIEDRO C[C@@H]1C[N@@H+](Cc2cccc(Nc3cccc(F)c3C#N)c2)C[C@H](C)O1 ZINC000609964258 1027699496 /nfs/dbraw/zinc/69/94/96/1027699496.db2.gz BSCJOTVAXRESKD-GASCZTMLSA-N 1 0 339.414 4.050 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2cc(Br)ccc2Cl)c1 ZINC000135866882 1027726119 /nfs/dbraw/zinc/72/61/19/1027726119.db2.gz PMXUYCIQOQQLIX-UHFFFAOYSA-N 1 0 335.632 4.264 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000329367560 1027749505 /nfs/dbraw/zinc/74/95/05/1027749505.db2.gz HMAONXMPAFVGMX-RDTXWAMCSA-N 1 0 342.418 4.024 20 30 EIEDRO CSc1cc(C)ccc1CNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000305049194 1027766425 /nfs/dbraw/zinc/76/64/25/1027766425.db2.gz ZPWWXVVWJWDNPL-UHFFFAOYSA-N 1 0 343.496 4.431 20 30 EIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCc2nc(C)c(C)s2)cc1 ZINC000305046987 1027768411 /nfs/dbraw/zinc/76/84/11/1027768411.db2.gz AZKSMHBXEVXFOX-GFCCVEGCSA-N 1 0 330.501 4.243 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000091509678 1027770763 /nfs/dbraw/zinc/77/07/63/1027770763.db2.gz ZGTADLSMVGRGFN-MRXNPFEDSA-N 1 0 333.472 4.292 20 30 EIEDRO CCc1ccc(NC(=[NH2+])NC[C@H](OC)c2ccccc2Cl)cc1 ZINC000305089962 1027772073 /nfs/dbraw/zinc/77/20/73/1027772073.db2.gz ZRZZTGHYWUMVTL-KRWDZBQOSA-N 1 0 331.847 4.017 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)/C=C\c2ccccc2C#N)cc1 ZINC000588560603 1027772287 /nfs/dbraw/zinc/77/22/87/1027772287.db2.gz KFPDZUPHLUTEQS-KAMYIIQDSA-N 1 0 333.435 4.052 20 30 EIEDRO [NH2+]=C(NCc1ccccc1Cl)Nc1ccccc1OC(F)(F)F ZINC000305245497 1027790074 /nfs/dbraw/zinc/79/00/74/1027790074.db2.gz SRTFQRVVSXXDDV-UHFFFAOYSA-N 1 0 343.736 4.165 20 30 EIEDRO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccc2c[nH+]cn2c1 ZINC000328831742 1027815995 /nfs/dbraw/zinc/81/59/95/1027815995.db2.gz VEFOZKBAZUGKKH-GOSISDBHSA-N 1 0 347.418 4.476 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ncoc2C2CC2)CC1 ZINC000328883728 1027823992 /nfs/dbraw/zinc/82/39/92/1027823992.db2.gz MKMNYWUIZQLXEQ-CQSZACIVSA-N 1 0 339.439 4.082 20 30 EIEDRO O=C(Nc1scnc1C1CC1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328905074 1027834214 /nfs/dbraw/zinc/83/42/14/1027834214.db2.gz AMVPHMQTCLAULI-UHFFFAOYSA-N 1 0 348.516 4.001 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1Cl ZINC000657719477 1027863533 /nfs/dbraw/zinc/86/35/33/1027863533.db2.gz RBQBAPKJYGVZMV-UHFFFAOYSA-N 1 0 345.874 4.196 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166653627 1027866242 /nfs/dbraw/zinc/86/62/42/1027866242.db2.gz OVMFXAFMDVAORR-GKCIPKSASA-N 1 0 343.854 4.127 20 30 EIEDRO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000444652149 1027924372 /nfs/dbraw/zinc/92/43/72/1027924372.db2.gz WRCBGBAXFYXUOV-ROUUACIJSA-N 1 0 334.504 4.150 20 30 EIEDRO Cc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1OC(C)C ZINC000331126550 1027927243 /nfs/dbraw/zinc/92/72/43/1027927243.db2.gz HTJKFJLBVXZORD-UHFFFAOYSA-N 1 0 347.503 4.371 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000343032850 1027931543 /nfs/dbraw/zinc/93/15/43/1027931543.db2.gz HXZYNXSWKNMQFO-UHFFFAOYSA-N 1 0 343.521 4.305 20 30 EIEDRO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCC[C@H]1C ZINC000444668375 1027952879 /nfs/dbraw/zinc/95/28/79/1027952879.db2.gz CDSZCWMINDDFHB-DYVFJYSZSA-N 1 0 333.863 4.051 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000444684921 1027965328 /nfs/dbraw/zinc/96/53/28/1027965328.db2.gz MHVBBMQWCKNWCJ-UHFFFAOYSA-N 1 0 332.513 4.332 20 30 EIEDRO C[C@H]1CC[C@H](C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)O1 ZINC000475026005 1027999001 /nfs/dbraw/zinc/99/90/01/1027999001.db2.gz KBJRDMIOHVEPCV-HRAATJIYSA-N 1 0 338.426 4.267 20 30 EIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428310551 1028020923 /nfs/dbraw/zinc/02/09/23/1028020923.db2.gz OQXNLIHNUVTGTI-HNNXBMFYSA-N 1 0 326.415 4.017 20 30 EIEDRO CC(C)(CC1CCCCCC1)[NH2+]CC(=O)Nc1sccc1C#N ZINC000444792851 1028075027 /nfs/dbraw/zinc/07/50/27/1028075027.db2.gz FMBQEKBGCKQMPU-UHFFFAOYSA-N 1 0 333.501 4.287 20 30 EIEDRO COc1ccc(C[N@H+](C)CCCCC(C)(C)C#N)cc1OC(F)F ZINC000278100207 1028086619 /nfs/dbraw/zinc/08/66/19/1028086619.db2.gz KETFOTTXNDQSFS-UHFFFAOYSA-N 1 0 340.414 4.448 20 30 EIEDRO CSc1nc(C[N@H+](C)CCc2ccc(Cl)cc2)ccc1C#N ZINC001141941761 1028089468 /nfs/dbraw/zinc/08/94/68/1028089468.db2.gz WOSMWYQVNKKTTN-UHFFFAOYSA-N 1 0 331.872 4.003 20 30 EIEDRO COc1ccc(C2([NH2+]CCCCC(C)(C)C#N)CCOCC2)cc1F ZINC000444814348 1028098767 /nfs/dbraw/zinc/09/87/67/1028098767.db2.gz OOXPNXPJROXMML-UHFFFAOYSA-N 1 0 348.462 4.150 20 30 EIEDRO CC(C)c1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)nn1C(C)(C)C ZINC000330040928 1028190648 /nfs/dbraw/zinc/19/06/48/1028190648.db2.gz CGTFNNFQISNWAV-UHFFFAOYSA-N 1 0 346.519 4.083 20 30 EIEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330134426 1028210618 /nfs/dbraw/zinc/21/06/18/1028210618.db2.gz GVSBIGSDLRBDOG-YWPYOKSTSA-N 1 0 348.531 4.095 20 30 EIEDRO C=CCCCCC[N@@H+](C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000523557791 1028215315 /nfs/dbraw/zinc/21/53/15/1028215315.db2.gz AQAWRVMPHHPNDU-QGZVFWFLSA-N 1 0 334.529 4.262 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)C(C)C)cc1 ZINC000657741558 1028218695 /nfs/dbraw/zinc/21/86/95/1028218695.db2.gz HFWMSNCQXGOOFH-RTWAWAEBSA-N 1 0 325.452 4.099 20 30 EIEDRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000330270296 1028240537 /nfs/dbraw/zinc/24/05/37/1028240537.db2.gz TXDZDNDXFJZXAP-FNHZYXHNSA-N 1 0 330.472 4.252 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000280892172 1028273777 /nfs/dbraw/zinc/27/37/77/1028273777.db2.gz QFDGNDXNYWPRBD-MJVIPROJSA-N 1 0 330.291 4.142 20 30 EIEDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)N2CCCC2)o1 ZINC000346145284 1028279130 /nfs/dbraw/zinc/27/91/30/1028279130.db2.gz UXPAWCIEORGECB-DNVCBOLYSA-N 1 0 341.430 4.087 20 30 EIEDRO COc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1C#N ZINC000440638565 1028286987 /nfs/dbraw/zinc/28/69/87/1028286987.db2.gz OILFBBVPIJZFSH-GJZGRUSLSA-N 1 0 326.362 4.025 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cc(OC)nc2ccccc12)c1ccc(C#N)cc1 ZINC000583243096 1028329433 /nfs/dbraw/zinc/32/94/33/1028329433.db2.gz CZLFGWOZERQWLN-LJQANCHMSA-N 1 0 331.419 4.356 20 30 EIEDRO Cn1c2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2nc1C1CC1 ZINC000330301546 1028359366 /nfs/dbraw/zinc/35/93/66/1028359366.db2.gz NVWISBNERLUKQP-INIZCTEOSA-N 1 0 340.471 4.303 20 30 EIEDRO COc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)cc1OCCCC#N ZINC000346358729 1028398639 /nfs/dbraw/zinc/39/86/39/1028398639.db2.gz HGPYMQHBVNIUJB-QGZVFWFLSA-N 1 0 330.472 4.246 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc(F)c1C#N ZINC000428398308 1028438192 /nfs/dbraw/zinc/43/81/92/1028438192.db2.gz LDOWHTVUIMMWHF-UHFFFAOYSA-N 1 0 348.425 4.152 20 30 EIEDRO CC(C)c1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161640256 1028444416 /nfs/dbraw/zinc/44/44/16/1028444416.db2.gz UJCUYMLZXRQEEB-QGZVFWFLSA-N 1 0 348.494 4.396 20 30 EIEDRO N#CC1(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CCOCC1 ZINC000281294684 1028510425 /nfs/dbraw/zinc/51/04/25/1028510425.db2.gz JMMVLMGAAHEBQM-PMACEKPBSA-N 1 0 326.484 4.088 20 30 EIEDRO CC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccc(F)cc1F ZINC000346578872 1028526614 /nfs/dbraw/zinc/52/66/14/1028526614.db2.gz XHHFOMCEFKAQFX-LBPRGKRZSA-N 1 0 347.274 4.220 20 30 EIEDRO Cc1cc(-c2noc([C@@H]3CC[C@H](c4ccccc4)C[NH2+]3)n2)ccc1C#N ZINC001211576510 1028582086 /nfs/dbraw/zinc/58/20/86/1028582086.db2.gz GZJJWGJJCLKRDU-OALUTQOASA-N 1 0 344.418 4.125 20 30 EIEDRO N#CCCC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000346806040 1028665726 /nfs/dbraw/zinc/66/57/26/1028665726.db2.gz AJJQYKPWBKUEBK-QGZVFWFLSA-N 1 0 344.256 4.021 20 30 EIEDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000583430039 1028719110 /nfs/dbraw/zinc/71/91/10/1028719110.db2.gz GKOVVZRWCCPRJH-MGPUTAFESA-N 1 0 344.462 4.423 20 30 EIEDRO Cc1cc(CNc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)ccc1C#N ZINC000444002100 1028721914 /nfs/dbraw/zinc/72/19/14/1028721914.db2.gz JAWOYJOXRZPJDX-ROUUACIJSA-N 1 0 349.478 4.088 20 30 EIEDRO C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@H]2C)c1=S ZINC000161711808 1028746351 /nfs/dbraw/zinc/74/63/51/1028746351.db2.gz XTOIUQWEKDAJMV-OAHLLOKOSA-N 1 0 328.485 4.017 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)ccc1C#N ZINC000281772456 1028866052 /nfs/dbraw/zinc/86/60/52/1028866052.db2.gz SKHQMJMHFOXUKB-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Br)s1 ZINC000281798927 1028868149 /nfs/dbraw/zinc/86/81/49/1028868149.db2.gz VCSBKIRFLROQTN-VOMCLLRMSA-N 1 0 327.291 4.491 20 30 EIEDRO CC[NH+](CC)Cc1cccc(CNc2snc(Cl)c2C#N)c1 ZINC000052427889 1028868380 /nfs/dbraw/zinc/86/83/80/1028868380.db2.gz HIVPMRVOXDGOEA-UHFFFAOYSA-N 1 0 334.876 4.122 20 30 EIEDRO CCCCN(CCC#N)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168050525 1028895150 /nfs/dbraw/zinc/89/51/50/1028895150.db2.gz BNSJOEUOFZFGNQ-RTBURBONSA-N 1 0 327.516 4.444 20 30 EIEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281869165 1028901989 /nfs/dbraw/zinc/90/19/89/1028901989.db2.gz CDBIAWVJLQZDFD-AZUAARDMSA-N 1 0 326.484 4.040 20 30 EIEDRO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281876131 1028904669 /nfs/dbraw/zinc/90/46/69/1028904669.db2.gz CPGNIGBDFMIAOL-LPHOPBHVSA-N 1 0 330.447 4.309 20 30 EIEDRO COc1ccc([C@H]([NH2+]CCCC2(C#N)CCOCC2)C(C)C)cc1 ZINC000281930356 1028973952 /nfs/dbraw/zinc/97/39/52/1028973952.db2.gz IALDCEOCAABPFA-LJQANCHMSA-N 1 0 330.472 4.082 20 30 EIEDRO N#CCCn1cc(C(=O)C[N@@H+]2CCCC3(CCCC3)C2)c2ccccc21 ZINC000445867551 1028974379 /nfs/dbraw/zinc/97/43/79/1028974379.db2.gz WJYPUYXUQGKDOC-UHFFFAOYSA-N 1 0 349.478 4.394 20 30 EIEDRO CC[C@H]([NH2+]CCCC1(C#N)CCOCC1)C(C)(C)c1ccccc1 ZINC000281944322 1028995832 /nfs/dbraw/zinc/99/58/32/1028995832.db2.gz JBUPNSRQNMWPCG-IBGZPJMESA-N 1 0 328.500 4.433 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H](O)c1c(Cl)cccc1Cl ZINC000278365558 1029013344 /nfs/dbraw/zinc/01/33/44/1029013344.db2.gz BSDFJUAIMHIZKE-LGSVPQMISA-N 1 0 327.255 4.087 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000157356089 1029020216 /nfs/dbraw/zinc/02/02/16/1029020216.db2.gz LTRHPSKGXZOPSP-IRLDBZIGSA-N 1 0 335.447 4.099 20 30 EIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)CCc1cccc(F)c1 ZINC000281968402 1029027618 /nfs/dbraw/zinc/02/76/18/1029027618.db2.gz KXJTZHNDKNGQNO-UHFFFAOYSA-N 1 0 332.463 4.181 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000583681635 1029032658 /nfs/dbraw/zinc/03/26/58/1029032658.db2.gz COJFEQIPDMVMNW-RBUKOAKNSA-N 1 0 341.499 4.048 20 30 EIEDRO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281976791 1029040421 /nfs/dbraw/zinc/04/04/21/1029040421.db2.gz LOGHJHIOQAOLLI-LPHOPBHVSA-N 1 0 330.447 4.309 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C)cc1OCCOC)c1ccc(C#N)cc1 ZINC000278379147 1029046677 /nfs/dbraw/zinc/04/66/77/1029046677.db2.gz CWXIRTLGKZJHJI-FQEVSTJZSA-N 1 0 338.451 4.133 20 30 EIEDRO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281985393 1029050047 /nfs/dbraw/zinc/05/00/47/1029050047.db2.gz MJLYPPWOZMEBRL-HNNXBMFYSA-N 1 0 343.496 4.390 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000522981497 1029146979 /nfs/dbraw/zinc/14/69/79/1029146979.db2.gz UBEOPOVUHFGBLP-GOSISDBHSA-N 1 0 343.515 4.169 20 30 EIEDRO Cc1ccnc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1C#N ZINC000343448155 1029272531 /nfs/dbraw/zinc/27/25/31/1029272531.db2.gz ZNKHEMIKHQSQBF-KRWDZBQOSA-N 1 0 334.467 4.248 20 30 EIEDRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(C#N)c1 ZINC000237428387 1029284970 /nfs/dbraw/zinc/28/49/70/1029284970.db2.gz AOAFPFLQLZRLOM-CYBMUJFWSA-N 1 0 334.341 4.134 20 30 EIEDRO C=CC[C@H]1N(C(=O)c2cccc(Cn3ccnc3)c2)CCCC1(C)C ZINC000278493406 1029348090 /nfs/dbraw/zinc/34/80/90/1029348090.db2.gz WKGDCPFRXKINOS-LJQANCHMSA-N 1 0 337.467 4.138 20 30 EIEDRO C[C@@H]([NH2+]C1(CNC(=O)C2(C)CCCC2)CCOCC1)c1ccccc1 ZINC000329584104 1029415280 /nfs/dbraw/zinc/41/52/80/1029415280.db2.gz XRJDFZCBHRUYSL-QGZVFWFLSA-N 1 0 344.499 4.423 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)c1 ZINC000343543256 1029462746 /nfs/dbraw/zinc/46/27/46/1029462746.db2.gz XXZAPCIHBHMXEC-SFHVURJKSA-N 1 0 326.827 4.258 20 30 EIEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000525329092 1029574060 /nfs/dbraw/zinc/57/40/60/1029574060.db2.gz YYPHOPSOZQCIIL-CQSZACIVSA-N 1 0 327.209 4.004 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Cl)cc1 ZINC000343585201 1029550923 /nfs/dbraw/zinc/55/09/23/1029550923.db2.gz WLAOVMMDTPVTSP-UHFFFAOYSA-N 1 0 347.871 4.124 20 30 EIEDRO CCC(CC)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000446754652 1029559553 /nfs/dbraw/zinc/55/95/53/1029559553.db2.gz XUOFIZCWAWSAOZ-SJLPKXTDSA-N 1 0 344.499 4.434 20 30 EIEDRO COc1cccc([C@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000079413843 1029560426 /nfs/dbraw/zinc/56/04/26/1029560426.db2.gz XCDKQTVCGLMESN-INIZCTEOSA-N 1 0 336.435 4.171 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(C)(C)C)c1C ZINC000525274442 1029561044 /nfs/dbraw/zinc/56/10/44/1029561044.db2.gz KRSGQLFLDDCSOZ-IBGZPJMESA-N 1 0 341.499 4.061 20 30 EIEDRO N#Cc1cc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)ccc1F ZINC000536203475 1029566770 /nfs/dbraw/zinc/56/67/70/1029566770.db2.gz JYEHKIFKQXZUTR-QGZVFWFLSA-N 1 0 330.790 4.004 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807104 1029640063 /nfs/dbraw/zinc/64/00/63/1029640063.db2.gz FGWDKCUTEWHNEE-MRXNPFEDSA-N 1 0 338.414 4.343 20 30 EIEDRO N#C[C@@H]1CC[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690635 1029696573 /nfs/dbraw/zinc/69/65/73/1029696573.db2.gz SESKNVMRKYGSGJ-KNQAVFIVSA-N 1 0 345.490 4.086 20 30 EIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000584258710 1029697119 /nfs/dbraw/zinc/69/71/19/1029697119.db2.gz DYLNTKNVLRTWND-UHFFFAOYSA-N 1 0 333.357 4.083 20 30 EIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(N2CCCC2=O)c1 ZINC000278735911 1029753954 /nfs/dbraw/zinc/75/39/54/1029753954.db2.gz LIPWNTFOIUGFBP-INIZCTEOSA-N 1 0 327.472 4.184 20 30 EIEDRO Cn1cc(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)cc1C#N ZINC000480306167 1029830899 /nfs/dbraw/zinc/83/08/99/1029830899.db2.gz AGTNXHCTXUVKOV-UHFFFAOYSA-N 1 0 343.474 4.088 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCC[C@H]2CCCC[C@@H]2O)ccc1OC ZINC000128134574 1029858848 /nfs/dbraw/zinc/85/88/48/1029858848.db2.gz XKVHAUZIVFZVNQ-MOPGFXCFSA-N 1 0 347.499 4.071 20 30 EIEDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CC3 ZINC000611863531 1029872945 /nfs/dbraw/zinc/87/29/45/1029872945.db2.gz AUBQSDUUSHSMNY-YOEHRIQHSA-N 1 0 345.446 4.256 20 30 EIEDRO N#CCCC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000343795235 1029880638 /nfs/dbraw/zinc/88/06/38/1029880638.db2.gz MKQNVNUZUKJLDL-HNNXBMFYSA-N 1 0 332.245 4.201 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cccc3ccoc32)CC1 ZINC000584450543 1029890012 /nfs/dbraw/zinc/89/00/12/1029890012.db2.gz UUZFSYBYEKFSMQ-UHFFFAOYSA-N 1 0 347.418 4.179 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000525836330 1030056174 /nfs/dbraw/zinc/05/61/74/1030056174.db2.gz FGGXZIJHRJLMGS-UHFFFAOYSA-N 1 0 341.842 4.086 20 30 EIEDRO CC#CC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447391939 1030056711 /nfs/dbraw/zinc/05/67/11/1030056711.db2.gz ATGCEJSVCBKMFD-OAHLLOKOSA-N 1 0 326.465 4.021 20 30 EIEDRO N#Cc1ccc(Cl)cc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610275497 1030109124 /nfs/dbraw/zinc/10/91/24/1030109124.db2.gz VQJVTHVYKMFCEP-UHFFFAOYSA-N 1 0 331.891 4.304 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1 ZINC000447517362 1030114085 /nfs/dbraw/zinc/11/40/85/1030114085.db2.gz SATIVMKNCFSWEE-PMACEKPBSA-N 1 0 337.467 4.419 20 30 EIEDRO CC[C@@H]([NH2+]CCCn1c(C)nc2ccccc21)c1ccc(C#N)cc1 ZINC000447521327 1030117918 /nfs/dbraw/zinc/11/79/18/1030117918.db2.gz NCANISFVMIYAEJ-LJQANCHMSA-N 1 0 332.451 4.347 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(Cn2cccn2)cc1)c1ccc(C#N)cc1 ZINC000447528835 1030125504 /nfs/dbraw/zinc/12/55/04/1030125504.db2.gz IQKPEVOSFHNPBT-OAQYLSRUSA-N 1 0 330.435 4.044 20 30 EIEDRO CC[C@H]([NH2+]CCCc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000447531725 1030132754 /nfs/dbraw/zinc/13/27/54/1030132754.db2.gz QQFIXARBNJJCPN-IBGZPJMESA-N 1 0 338.451 4.249 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)COc1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000447531059 1030136043 /nfs/dbraw/zinc/13/60/43/1030136043.db2.gz OIHGNLFIEBYJQO-ACJLOTCBSA-N 1 0 330.378 4.345 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccc(C#N)cc1 ZINC000447533377 1030136619 /nfs/dbraw/zinc/13/66/19/1030136619.db2.gz RBJXAXMVHXIUHS-OAQYLSRUSA-N 1 0 330.435 4.044 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1OC1CCCC1 ZINC000447532851 1030136712 /nfs/dbraw/zinc/13/67/12/1030136712.db2.gz VTCJNYKRAZEQLQ-WBVHZDCISA-N 1 0 328.456 4.189 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000447544758 1030146967 /nfs/dbraw/zinc/14/69/67/1030146967.db2.gz POZDFVMLSUNXIF-VGSWGCGISA-N 1 0 333.479 4.046 20 30 EIEDRO CC[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccc(C#N)cc1 ZINC000447542966 1030147296 /nfs/dbraw/zinc/14/72/96/1030147296.db2.gz QDOYAGMRQWUGTH-INIZCTEOSA-N 1 0 349.356 4.135 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000447575171 1030203569 /nfs/dbraw/zinc/20/35/69/1030203569.db2.gz QYZWJGARUNLXKA-XUVXKRRUSA-N 1 0 342.389 4.407 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000447575172 1030204572 /nfs/dbraw/zinc/20/45/72/1030204572.db2.gz QYZWJGARUNLXKA-ZCNNSNEGSA-N 1 0 342.389 4.407 20 30 EIEDRO CC#CCCCC(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000185774508 1030223908 /nfs/dbraw/zinc/22/39/08/1030223908.db2.gz GVMCXZCHMZRPCA-UHFFFAOYSA-N 1 0 344.524 4.029 20 30 EIEDRO Cc1cccnc1OC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000429726845 1030243316 /nfs/dbraw/zinc/24/33/16/1030243316.db2.gz ALFYFHZKDSUANU-UHFFFAOYSA-N 1 0 349.478 4.235 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000526082713 1030264448 /nfs/dbraw/zinc/26/44/48/1030264448.db2.gz AEPMXILKXLAGDY-UHFFFAOYSA-N 1 0 341.842 4.086 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N(C)C[C@@H]3CCC[N@H+](C)C3)c2c1 ZINC000447680555 1030268534 /nfs/dbraw/zinc/26/85/34/1030268534.db2.gz RHQCBJZMAOJPNU-MRXNPFEDSA-N 1 0 336.483 4.008 20 30 EIEDRO Cc1cc(F)c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1Br ZINC001140697860 1030291108 /nfs/dbraw/zinc/29/11/08/1030291108.db2.gz JFMWUPGKOCAGHQ-DEZZGGKRSA-N 1 0 337.236 4.163 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000526942314 1030356744 /nfs/dbraw/zinc/35/67/44/1030356744.db2.gz JCSVHEBTFJEMMI-DOTOQJQBSA-N 1 0 328.456 4.063 20 30 EIEDRO N#CCCn1cc(C(=O)C[N@@H+]2CCC3(C2)CCCCC3)c2ccccc21 ZINC000303900021 1030390042 /nfs/dbraw/zinc/39/00/42/1030390042.db2.gz LGZVVHDQEUYSON-UHFFFAOYSA-N 1 0 349.478 4.394 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)ccn1 ZINC000611939960 1030423335 /nfs/dbraw/zinc/42/33/35/1030423335.db2.gz XKBPIZPUNKLHHX-HXUWFJFHSA-N 1 0 348.837 4.075 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCSCC3)c2)c1 ZINC000508642737 1030423641 /nfs/dbraw/zinc/42/36/41/1030423641.db2.gz YCISCPTXNFCREO-UHFFFAOYSA-N 1 0 338.476 4.076 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(CSC)c2)cc1 ZINC000189492086 1030472495 /nfs/dbraw/zinc/47/24/95/1030472495.db2.gz ZVFBNSJUXVPHMZ-UHFFFAOYSA-N 1 0 325.477 4.242 20 30 EIEDRO CO[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000451563154 1030580406 /nfs/dbraw/zinc/58/04/06/1030580406.db2.gz JSPZVXHFBZLSGV-DENIHFKCSA-N 1 0 348.490 4.243 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1C ZINC000897417547 1030584293 /nfs/dbraw/zinc/58/42/93/1030584293.db2.gz QHQRSMXPNBWKKY-QGZVFWFLSA-N 1 0 337.467 4.204 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000657925220 1030612574 /nfs/dbraw/zinc/61/25/74/1030612574.db2.gz BLLDSHBQGZRZCO-HNNXBMFYSA-N 1 0 329.440 4.100 20 30 EIEDRO CC[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccs1 ZINC000527350066 1030642242 /nfs/dbraw/zinc/64/22/42/1030642242.db2.gz AQHOBBDSLVPDDA-OFLPRAFFSA-N 1 0 341.480 4.446 20 30 EIEDRO COCC[C@@H]([NH2+]CCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000451694308 1030666037 /nfs/dbraw/zinc/66/60/37/1030666037.db2.gz MNOJQLBQTNIZIP-OAHLLOKOSA-N 1 0 328.378 4.312 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccnn1-c1ccccc1 ZINC000448329611 1030743637 /nfs/dbraw/zinc/74/36/37/1030743637.db2.gz ABLQIZRDNAULPQ-YADHBBJMSA-N 1 0 342.446 4.144 20 30 EIEDRO C[N@H+](Cc1cc(Br)cs1)Cc1ccc(CC#N)cc1 ZINC000399111369 1030746138 /nfs/dbraw/zinc/74/61/38/1030746138.db2.gz KNQDNNQMFYUWJU-UHFFFAOYSA-N 1 0 335.270 4.209 20 30 EIEDRO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000127580711 1030798507 /nfs/dbraw/zinc/79/85/07/1030798507.db2.gz MPZJRDWDBZXRQH-JKSUJKDBSA-N 1 0 349.478 4.361 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452003792 1030819685 /nfs/dbraw/zinc/81/96/85/1030819685.db2.gz GNNRIYFCWREUJM-GJZGRUSLSA-N 1 0 345.512 4.140 20 30 EIEDRO N#Cc1nc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)ccc1Cl ZINC000610515857 1030832267 /nfs/dbraw/zinc/83/22/67/1030832267.db2.gz BFIODPTZLFDURT-GOSISDBHSA-N 1 0 340.858 4.246 20 30 EIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000612094061 1030852283 /nfs/dbraw/zinc/85/22/83/1030852283.db2.gz XLEGSTUXUGEZHZ-GOSISDBHSA-N 1 0 331.419 4.273 20 30 EIEDRO CCCc1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527812392 1030856780 /nfs/dbraw/zinc/85/67/80/1030856780.db2.gz SUABLVSKPMAVNO-UHFFFAOYSA-N 1 0 334.463 4.306 20 30 EIEDRO N#Cc1csc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)c1 ZINC000237763486 1030866388 /nfs/dbraw/zinc/86/63/88/1030866388.db2.gz NJOUHHYSWVQWHJ-UHFFFAOYSA-N 1 0 341.263 4.485 20 30 EIEDRO C=CCOCCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000658208280 1030881949 /nfs/dbraw/zinc/88/19/49/1030881949.db2.gz ZKHKPPDWACKFOO-AWEZNQCLSA-N 1 0 330.291 4.144 20 30 EIEDRO C[C@H](NC1(c2cccc(C#N)c2)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527882648 1030894012 /nfs/dbraw/zinc/89/40/12/1030894012.db2.gz QEZLMMIITMIOIF-INIZCTEOSA-N 1 0 342.446 4.299 20 30 EIEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cc(F)c(Br)cc1F ZINC000527891386 1030898915 /nfs/dbraw/zinc/89/89/15/1030898915.db2.gz MLYWQYQOQKVGRG-GUBZILKMSA-N 1 0 329.188 4.070 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)C1 ZINC000527939400 1030954132 /nfs/dbraw/zinc/95/41/32/1030954132.db2.gz NUTPODDLUQCBJF-AEFFLSMTSA-N 1 0 342.487 4.064 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)C1 ZINC000527939406 1030955221 /nfs/dbraw/zinc/95/52/21/1030955221.db2.gz NUTPODDLUQCBJF-FUHWJXTLSA-N 1 0 342.487 4.064 20 30 EIEDRO Cn1cc2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cc2n1 ZINC000527961522 1031001446 /nfs/dbraw/zinc/00/14/46/1031001446.db2.gz IWANFKDXEPBTKS-HXUWFJFHSA-N 1 0 330.435 4.002 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000255758171 1031065521 /nfs/dbraw/zinc/06/55/21/1031065521.db2.gz XISICJOOJYSQMN-IZQLPPHKSA-N 1 0 344.480 4.108 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174563 1031112395 /nfs/dbraw/zinc/11/23/95/1031112395.db2.gz HFOWOOQWWLLOAJ-IBGZPJMESA-N 1 0 338.426 4.280 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000532505650 1031230680 /nfs/dbraw/zinc/23/06/80/1031230680.db2.gz OPQIJMOIWQOMQJ-GDBMZVCRSA-N 1 0 343.471 4.387 20 30 EIEDRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(C#N)cc1F ZINC000532568058 1031298853 /nfs/dbraw/zinc/29/88/53/1031298853.db2.gz PBDUMHRMBYXORM-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000532567073 1031301309 /nfs/dbraw/zinc/30/13/09/1031301309.db2.gz FOXJZKZNPWUWPT-PZJWPPBQSA-N 1 0 338.426 4.263 20 30 EIEDRO C=CC1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000532557847 1031301369 /nfs/dbraw/zinc/30/13/69/1031301369.db2.gz LNGRCPZPJTUZKA-UHFFFAOYSA-N 1 0 334.463 4.114 20 30 EIEDRO Cc1ccccc1O[C@H](C)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237551087 1031334189 /nfs/dbraw/zinc/33/41/89/1031334189.db2.gz WXDHADAJGMUWBD-GOSISDBHSA-N 1 0 338.451 4.235 20 30 EIEDRO CC1(C#N)CCC(Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000449052929 1031405309 /nfs/dbraw/zinc/40/53/09/1031405309.db2.gz GMHSYYDFGPJDRI-UHFFFAOYSA-N 1 0 329.513 4.120 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC1 ZINC000449088145 1031417395 /nfs/dbraw/zinc/41/73/95/1031417395.db2.gz HNYZHYDMJRPVQY-UHFFFAOYSA-N 1 0 326.488 4.024 20 30 EIEDRO CC(C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)N1CCc2ccccc2C1 ZINC000449070622 1031422659 /nfs/dbraw/zinc/42/26/59/1031422659.db2.gz KUSSOVQMRYGOMY-ORFBVSJDSA-N 1 0 339.527 4.131 20 30 EIEDRO Cc1ccccc1CN1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449092249 1031452983 /nfs/dbraw/zinc/45/29/83/1031452983.db2.gz STZDMYMQTIFRBW-UHFFFAOYSA-N 1 0 325.500 4.022 20 30 EIEDRO Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531715198 1031502039 /nfs/dbraw/zinc/50/20/39/1031502039.db2.gz XQQJWBOOMPDDHQ-ZBFHGGJFSA-N 1 0 343.471 4.387 20 30 EIEDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)C2 ZINC000612419687 1031502190 /nfs/dbraw/zinc/50/21/90/1031502190.db2.gz HLUGKBYNWOIZEQ-KNQAVFIVSA-N 1 0 332.447 4.091 20 30 EIEDRO Cn1cc([C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccccc2)cn1 ZINC000612422709 1031504702 /nfs/dbraw/zinc/50/47/02/1031504702.db2.gz DETFXXUGNPPZAY-YADHBBJMSA-N 1 0 342.446 4.048 20 30 EIEDRO CN1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000449212959 1031541040 /nfs/dbraw/zinc/54/10/40/1031541040.db2.gz JNHFQVYGFTXPLF-CXUOOODFSA-N 1 0 331.891 4.147 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccnn2C2CCCC2)cc1 ZINC000449219688 1031551160 /nfs/dbraw/zinc/55/11/60/1031551160.db2.gz ASNDMOIFANXBRW-UHFFFAOYSA-N 1 0 347.384 4.158 20 30 EIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000548932868 1031554130 /nfs/dbraw/zinc/55/41/30/1031554130.db2.gz GHWWMSKPCNCVSJ-ZWKOTPCHSA-N 1 0 349.478 4.035 20 30 EIEDRO C[C@H]([NH2+]Cc1cncc(OCc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000548933766 1031564202 /nfs/dbraw/zinc/56/42/02/1031564202.db2.gz ZCGLNNHJZIRDSV-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO CN(Cc1ccc(C#N)c(F)c1)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000365256388 1031574841 /nfs/dbraw/zinc/57/48/41/1031574841.db2.gz NIBGLSHVKFWLEA-NRFANRHFSA-N 1 0 349.384 4.453 20 30 EIEDRO CCc1ccc(-c2noc([C@@H](C)[NH2+]C3CCC(C)(C#N)CC3)n2)cc1 ZINC000449276465 1031588521 /nfs/dbraw/zinc/58/85/21/1031588521.db2.gz BTKKQZHJPBPEKK-FNMUINPESA-N 1 0 338.455 4.422 20 30 EIEDRO N#Cc1csc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)c1 ZINC000531777945 1031593073 /nfs/dbraw/zinc/59/30/73/1031593073.db2.gz PSTNPRKHCBGGDX-UHFFFAOYSA-N 1 0 333.869 4.215 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000449296356 1031604382 /nfs/dbraw/zinc/60/43/82/1031604382.db2.gz AWVAEAQGHLOMNP-OFWKBQFLSA-N 1 0 327.255 4.089 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449298129 1031604826 /nfs/dbraw/zinc/60/48/26/1031604826.db2.gz FZXIPUYQQQMMIC-DYVFJYSZSA-N 1 0 332.444 4.020 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449298128 1031605865 /nfs/dbraw/zinc/60/58/65/1031605865.db2.gz FZXIPUYQQQMMIC-CXAGYDPISA-N 1 0 332.444 4.020 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2c(Cl)cccc2-n2ccnc2)CC1 ZINC000449352476 1031650905 /nfs/dbraw/zinc/65/09/05/1031650905.db2.gz VZPZNGWQCWBABW-UHFFFAOYSA-N 1 0 328.847 4.088 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)cc1OC ZINC000449376684 1031672067 /nfs/dbraw/zinc/67/20/67/1031672067.db2.gz MKZKEHBZBBNCJM-OAHLLOKOSA-N 1 0 325.399 4.175 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000449354768 1031673488 /nfs/dbraw/zinc/67/34/88/1031673488.db2.gz REXIRUNXOCCPGW-UHFFFAOYSA-N 1 0 326.484 4.187 20 30 EIEDRO CC(C)([NH2+]CCOc1ccc(C#N)cc1)c1nc2ccccc2s1 ZINC000528610635 1031691171 /nfs/dbraw/zinc/69/11/71/1031691171.db2.gz HLMTWSRHBFITSJ-UHFFFAOYSA-N 1 0 337.448 4.072 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(OCC(F)(F)F)c1 ZINC000053331750 1031707191 /nfs/dbraw/zinc/70/71/91/1031707191.db2.gz FCNSQNKVVKFVMR-UHFFFAOYSA-N 1 0 334.341 4.131 20 30 EIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(Br)c(F)c1 ZINC000453295219 1031815070 /nfs/dbraw/zinc/81/50/70/1031815070.db2.gz SAPIPJHNDJIPMX-GVXVVHGQSA-N 1 0 325.225 4.321 20 30 EIEDRO CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000528774040 1031845740 /nfs/dbraw/zinc/84/57/40/1031845740.db2.gz KPECHGHEFOTQIR-IBGZPJMESA-N 1 0 344.474 4.494 20 30 EIEDRO C[C@@H](C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000528774049 1031846291 /nfs/dbraw/zinc/84/62/91/1031846291.db2.gz PGKBYWRIQNLMHK-HNNXBMFYSA-N 1 0 338.455 4.256 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000453349990 1031878624 /nfs/dbraw/zinc/87/86/24/1031878624.db2.gz JTAQXSPXZLHYRU-CVEARBPZSA-N 1 0 328.481 4.104 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000453353303 1031881992 /nfs/dbraw/zinc/88/19/92/1031881992.db2.gz LGBWBPSEJPYXDZ-BBRMVZONSA-N 1 0 346.496 4.105 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000453375571 1031922705 /nfs/dbraw/zinc/92/27/05/1031922705.db2.gz JIJBXZYZBZSIQX-NUTKFTJISA-N 1 0 330.428 4.330 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2Cl)cc1 ZINC000512562522 1033370591 /nfs/dbraw/zinc/37/05/91/1033370591.db2.gz XKYZKJIJAXYEFB-UHFFFAOYSA-N 1 0 347.842 4.212 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCCc2cccc(C)n2)cc1Cl ZINC000512584283 1033432358 /nfs/dbraw/zinc/43/23/58/1033432358.db2.gz XSQBVXMXDHZQQM-UHFFFAOYSA-N 1 0 330.859 4.331 20 30 EIEDRO C=CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000663875693 1033471129 /nfs/dbraw/zinc/47/11/29/1033471129.db2.gz YIWFBRRKXMESSH-INIZCTEOSA-N 1 0 349.544 4.004 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611128 1033492999 /nfs/dbraw/zinc/49/29/99/1033492999.db2.gz HZPNTGKKPIJCDJ-VQIMIIECSA-N 1 0 337.442 4.013 20 30 EIEDRO Cc1cc(C)cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000512622230 1033511520 /nfs/dbraw/zinc/51/15/20/1033511520.db2.gz LGGJPRSPYKALBS-UHFFFAOYSA-N 1 0 347.462 4.026 20 30 EIEDRO CC(C)(C#N)c1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000614160243 1033537146 /nfs/dbraw/zinc/53/71/46/1033537146.db2.gz QRATXKNFRVRAIX-UHFFFAOYSA-N 1 0 347.506 4.196 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000614166081 1033539812 /nfs/dbraw/zinc/53/98/12/1033539812.db2.gz WAAOJTANUGBTNC-OAQYLSRUSA-N 1 0 334.463 4.451 20 30 EIEDRO C[C@H](NCc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512626126 1033540721 /nfs/dbraw/zinc/54/07/21/1033540721.db2.gz SCNSRGLKMYQQRK-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512631044 1033553149 /nfs/dbraw/zinc/55/31/49/1033553149.db2.gz PLXJEAGTETZPQE-KGLIPLIRSA-N 1 0 342.414 4.435 20 30 EIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000512631779 1033557014 /nfs/dbraw/zinc/55/70/14/1033557014.db2.gz SOSCNWFTWATKMY-UKRRQHHQSA-N 1 0 330.378 4.345 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1F ZINC000512642654 1033599618 /nfs/dbraw/zinc/59/96/18/1033599618.db2.gz RHHPJUJRBAXNGX-YJYMSZOUSA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512654746 1033628064 /nfs/dbraw/zinc/62/80/64/1033628064.db2.gz OJGVVDQZNJLLNR-ZACQAIPSSA-N 1 0 331.479 4.106 20 30 EIEDRO N#CCCC[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000433015218 1033654430 /nfs/dbraw/zinc/65/44/30/1033654430.db2.gz JGSWVOWXYSCPSA-GOSISDBHSA-N 1 0 341.842 4.303 20 30 EIEDRO COC(=O)c1ccc(F)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433018482 1033663490 /nfs/dbraw/zinc/66/34/90/1033663490.db2.gz HSTHGJYKPKSMHW-IBGZPJMESA-N 1 0 340.398 4.137 20 30 EIEDRO COC(=O)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000433018261 1033664953 /nfs/dbraw/zinc/66/49/53/1033664953.db2.gz DBUIYBYFLLMMAD-IBGZPJMESA-N 1 0 340.398 4.137 20 30 EIEDRO CCc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)N(C)C)cc1 ZINC000512666929 1033666338 /nfs/dbraw/zinc/66/63/38/1033666338.db2.gz MUJYWIZUCHQZIL-BTYIYWSLSA-N 1 0 339.458 4.213 20 30 EIEDRO CCN(C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433021229 1033673563 /nfs/dbraw/zinc/67/35/63/1033673563.db2.gz QAJRDKMVDOWNRE-FQEVSTJZSA-N 1 0 335.451 4.064 20 30 EIEDRO N#CC1CC[NH+](Cc2cccc(OCCCc3ccccc3)c2)CC1 ZINC000512681800 1033700443 /nfs/dbraw/zinc/70/04/43/1033700443.db2.gz BVZZLKQQSQEHBQ-UHFFFAOYSA-N 1 0 334.463 4.434 20 30 EIEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000433041124 1033712922 /nfs/dbraw/zinc/71/29/22/1033712922.db2.gz SWWYVSSSFOXOHS-NRFANRHFSA-N 1 0 347.462 4.139 20 30 EIEDRO C=CCc1cc(C[NH2+]CCc2ccc(F)cc2Cl)cc(OC)c1O ZINC000500883854 1033873052 /nfs/dbraw/zinc/87/30/52/1033873052.db2.gz AEDYNPISKGPMEF-UHFFFAOYSA-N 1 0 349.833 4.254 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](CC)Cc2ccccc2)cc(OC)c1O ZINC000500902907 1034012355 /nfs/dbraw/zinc/01/23/55/1034012355.db2.gz XMYUTIKQKNUBSO-IBGZPJMESA-N 1 0 325.452 4.240 20 30 EIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000411688748 1034035972 /nfs/dbraw/zinc/03/59/72/1034035972.db2.gz IPXUZYLNTIGBDD-OAHLLOKOSA-N 1 0 345.453 4.103 20 30 EIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433291817 1034185211 /nfs/dbraw/zinc/18/52/11/1034185211.db2.gz XIRXORPUWMQKDY-HNNXBMFYSA-N 1 0 335.289 4.253 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Br)s1)CC2 ZINC000576196706 1034197182 /nfs/dbraw/zinc/19/71/82/1034197182.db2.gz AGLADSZJOTXARJ-CQSZACIVSA-N 1 0 333.254 4.159 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000513059015 1034383035 /nfs/dbraw/zinc/38/30/35/1034383035.db2.gz VBIINWGHYOABGF-DZFGPLHGSA-N 1 0 338.426 4.138 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)c(OC)c1 ZINC000614396133 1034533178 /nfs/dbraw/zinc/53/31/78/1034533178.db2.gz YCPAQJFOLUFYOV-FQEVSTJZSA-N 1 0 336.435 4.221 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)cc1C ZINC000614407348 1034558266 /nfs/dbraw/zinc/55/82/66/1034558266.db2.gz NFUPJCFCKOKHLM-IFXJQAMLSA-N 1 0 328.843 4.386 20 30 EIEDRO C=CCc1cc(C[N@@H+](C)Cc2ccc(OC)c(C)c2)cc(OC)c1O ZINC000513106046 1034572168 /nfs/dbraw/zinc/57/21/68/1034572168.db2.gz GIDVNHUORGDLNC-UHFFFAOYSA-N 1 0 341.451 4.078 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cc1F ZINC000513116415 1034589364 /nfs/dbraw/zinc/58/93/64/1034589364.db2.gz FBNOZFFDASHSFF-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO CCC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000182329287 1034627584 /nfs/dbraw/zinc/62/75/84/1034627584.db2.gz DKSUTJIVJXRMLF-QGZVFWFLSA-N 1 0 341.480 4.306 20 30 EIEDRO CC(C)(C#N)c1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000279974507 1034822974 /nfs/dbraw/zinc/82/29/74/1034822974.db2.gz KAKVHGNUNVZPGN-UHFFFAOYSA-N 1 0 347.462 4.336 20 30 EIEDRO COc1ccc(C#N)cc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000513351343 1034887926 /nfs/dbraw/zinc/88/79/26/1034887926.db2.gz LBXYFLUTJJYDNS-HNAYVOBHSA-N 1 0 327.472 4.022 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894229652 1035002159 /nfs/dbraw/zinc/00/21/59/1035002159.db2.gz WGYKWVBQPZTEKJ-UHFFFAOYSA-N 1 0 335.904 4.080 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1ccco1 ZINC000513683277 1035101160 /nfs/dbraw/zinc/10/11/60/1035101160.db2.gz IWDRRKVNAJBGGY-NVXWUHKLSA-N 1 0 330.497 4.385 20 30 EIEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000513684062 1035101942 /nfs/dbraw/zinc/10/19/42/1035101942.db2.gz OOAMORMFDWLALX-INIZCTEOSA-N 1 0 337.442 4.059 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000280706429 1035327509 /nfs/dbraw/zinc/32/75/09/1035327509.db2.gz CXBNWVWLNLEDIE-LZJOCLMNSA-N 1 0 344.499 4.098 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)c1ccco1 ZINC000513707794 1035392244 /nfs/dbraw/zinc/39/22/44/1035392244.db2.gz IXXJDPWZFUIICH-SJORKVTESA-N 1 0 326.440 4.164 20 30 EIEDRO COc1ccccc1C[C@H](C)[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000501539732 1035461855 /nfs/dbraw/zinc/46/18/55/1035461855.db2.gz OAZBZJCIMXHOOD-SFHVURJKSA-N 1 0 334.463 4.432 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCC(F)CC1 ZINC000594988714 1035519247 /nfs/dbraw/zinc/51/92/47/1035519247.db2.gz BWHUWJGWKHLPBI-DZIBYMRMSA-N 1 0 343.490 4.029 20 30 EIEDRO Cn1cc(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2ccccc21 ZINC000594987049 1035521611 /nfs/dbraw/zinc/52/16/11/1035521611.db2.gz VUUDYRWIMJJGNJ-UHFFFAOYSA-N 1 0 329.447 4.066 20 30 EIEDRO COc1ccc(CNCC(F)(F)C(C)(C)C)cc1OCCCC#N ZINC000595000285 1035524609 /nfs/dbraw/zinc/52/46/09/1035524609.db2.gz JIPYTVVSKNIBLN-UHFFFAOYSA-N 1 0 340.414 4.149 20 30 EIEDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)o1 ZINC000594999968 1035524829 /nfs/dbraw/zinc/52/48/29/1035524829.db2.gz HHNXOJGFSWEVCE-AWEZNQCLSA-N 1 0 333.229 4.025 20 30 EIEDRO C=CCCSCC[NH2+][C@H]1CC[C@@H](C(=O)OCC)c2ccccc21 ZINC000595060580 1035542025 /nfs/dbraw/zinc/54/20/25/1035542025.db2.gz VZJJCPHXLALQLM-MSOLQXFVSA-N 1 0 333.497 4.067 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595049633 1035567695 /nfs/dbraw/zinc/56/76/95/1035567695.db2.gz NLWGSDILPAGWIS-AWEZNQCLSA-N 1 0 342.395 4.019 20 30 EIEDRO CCCC[N@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H](CC)c1ccccc1 ZINC000574917353 1035580955 /nfs/dbraw/zinc/58/09/55/1035580955.db2.gz QOKJLTAGXLQVOH-FQEVSTJZSA-N 1 0 347.466 4.354 20 30 EIEDRO C[C@@H](O)[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000595104254 1035586703 /nfs/dbraw/zinc/58/67/03/1035586703.db2.gz RKKTXAHXFUBCAQ-FOXKFOACSA-N 1 0 334.463 4.102 20 30 EIEDRO COc1ccc(C[C@H](C)[NH2+]CC2(C#N)CCCCC2)c(C)c1OC ZINC000595092179 1035598243 /nfs/dbraw/zinc/59/82/43/1035598243.db2.gz YLNYMSJODHNISI-HNNXBMFYSA-N 1 0 330.472 4.007 20 30 EIEDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1(C#N)CCCCC1 ZINC000595090614 1035599452 /nfs/dbraw/zinc/59/94/52/1035599452.db2.gz JBDIESUHUPQABL-QGZVFWFLSA-N 1 0 330.472 4.089 20 30 EIEDRO CC[C@H]([NH2+]CC1(C#N)CCCCC1)c1cc(OC)c(OC)c(OC)c1 ZINC000595091318 1035600792 /nfs/dbraw/zinc/60/07/92/1035600792.db2.gz PHBGHWYGOINLHN-INIZCTEOSA-N 1 0 346.471 4.227 20 30 EIEDRO CCC(CC)C[N@H+](CCC#N)CC[C@@H]1Sc2ccccc2NC1=O ZINC000595348759 1035637132 /nfs/dbraw/zinc/63/71/32/1035637132.db2.gz UZDZRLWKRCZWOJ-SFHVURJKSA-N 1 0 345.512 4.141 20 30 EIEDRO C[NH+](C)Cc1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)s1 ZINC000904865169 1035648930 /nfs/dbraw/zinc/64/89/30/1035648930.db2.gz WGEREUQXFNOVGK-UHFFFAOYSA-N 1 0 326.465 4.048 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](CC)Cc1cccs1 ZINC000485076407 1035661112 /nfs/dbraw/zinc/66/11/12/1035661112.db2.gz UTBOLCOFNFQHHQ-HNNXBMFYSA-N 1 0 348.537 4.235 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595428824 1035677304 /nfs/dbraw/zinc/67/73/04/1035677304.db2.gz NYADGEGVFZJOAL-KUHUBIRLSA-N 1 0 328.843 4.120 20 30 EIEDRO COC(=O)c1ccc(Cl)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000595639537 1035757116 /nfs/dbraw/zinc/75/71/16/1035757116.db2.gz MAEKRXYESPFPKB-UHFFFAOYSA-N 1 0 342.826 4.023 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595657943 1035760792 /nfs/dbraw/zinc/76/07/92/1035760792.db2.gz CVLUDXDSJPYVRB-AWEZNQCLSA-N 1 0 327.384 4.038 20 30 EIEDRO Cc1ccc(CCC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000595764174 1035777095 /nfs/dbraw/zinc/77/70/95/1035777095.db2.gz GFGMZFGUEXYUBY-UHFFFAOYSA-N 1 0 334.463 4.095 20 30 EIEDRO C=CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)(C)C ZINC000595765613 1035779806 /nfs/dbraw/zinc/77/98/06/1035779806.db2.gz MGULVKVGFMYOQE-HNNXBMFYSA-N 1 0 345.512 4.163 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CCC(F)CC1 ZINC000595819979 1035793578 /nfs/dbraw/zinc/79/35/78/1035793578.db2.gz RNUQLLVWLXBVIB-NUYPLMSZSA-N 1 0 326.362 4.166 20 30 EIEDRO C=CCC1([NH2+]Cc2coc(-c3ccc(C(=O)OC)cc3)n2)CCCC1 ZINC000595780114 1035795038 /nfs/dbraw/zinc/79/50/38/1035795038.db2.gz HXGAOJBJJMDIRY-UHFFFAOYSA-N 1 0 340.423 4.107 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000586773089 1035841015 /nfs/dbraw/zinc/84/10/15/1035841015.db2.gz WSJSUAVZKUICAR-UHFFFAOYSA-N 1 0 348.368 4.440 20 30 EIEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000586790607 1035847193 /nfs/dbraw/zinc/84/71/93/1035847193.db2.gz MKVPBPJPJBVLOQ-ROUUACIJSA-N 1 0 333.479 4.309 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000586788430 1035847234 /nfs/dbraw/zinc/84/72/34/1035847234.db2.gz UIJQEPOISHXCSS-KRWDZBQOSA-N 1 0 349.478 4.277 20 30 EIEDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000586790336 1035848131 /nfs/dbraw/zinc/84/81/31/1035848131.db2.gz UEOQKPGIRNOJDA-ZBFHGGJFSA-N 1 0 338.451 4.166 20 30 EIEDRO CCCN(C)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000586794586 1035849473 /nfs/dbraw/zinc/84/94/73/1035849473.db2.gz SMQSCDPOXWWXFB-ZYSHUDEJSA-N 1 0 333.907 4.395 20 30 EIEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000586793845 1035849601 /nfs/dbraw/zinc/84/96/01/1035849601.db2.gz HUOUSYOXUAQMLL-RBZFPXEDSA-N 1 0 326.390 4.435 20 30 EIEDRO N#Cc1cc(F)c(NCC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000060320166 1036017971 /nfs/dbraw/zinc/01/79/71/1036017971.db2.gz FJYHXFVQQWGHBS-UHFFFAOYSA-N 1 0 341.405 4.161 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](c2ccccc2)O1 ZINC000597001472 1036065417 /nfs/dbraw/zinc/06/54/17/1036065417.db2.gz ULKGHIBLTKZQQB-LAUBAEHRSA-N 1 0 332.447 4.204 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1 ZINC000055449099 1036070274 /nfs/dbraw/zinc/07/02/74/1036070274.db2.gz ICPNTCLUNCXXNV-INIZCTEOSA-N 1 0 325.456 4.083 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc(C)sc2C)cc(OC)c1OC ZINC000760668704 1036081807 /nfs/dbraw/zinc/08/18/07/1036081807.db2.gz FRMMOSMTZRCDCG-UHFFFAOYSA-N 1 0 331.481 4.400 20 30 EIEDRO Cc1c(N)cc[nH+]c1NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001168410720 1036109216 /nfs/dbraw/zinc/10/92/16/1036109216.db2.gz MBLIHRIIMKNFAD-UHFFFAOYSA-N 1 0 327.387 4.149 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000597176525 1036142237 /nfs/dbraw/zinc/14/22/37/1036142237.db2.gz IINLIBHIHTYEIA-AWEZNQCLSA-N 1 0 348.372 4.017 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597174314 1036142435 /nfs/dbraw/zinc/14/24/35/1036142435.db2.gz OVHNPQZHAOHMLK-AWEZNQCLSA-N 1 0 341.436 4.449 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCCCC#N)cc2)C1 ZINC000588150366 1036246484 /nfs/dbraw/zinc/24/64/84/1036246484.db2.gz KTIPHYGGBVJTMC-GOSISDBHSA-N 1 0 341.499 4.009 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCCCC#N)C1 ZINC000588151762 1036248167 /nfs/dbraw/zinc/24/81/67/1036248167.db2.gz UCPVHQAUOGKLNG-SFHVURJKSA-N 1 0 341.499 4.009 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCCCCC#N ZINC000588151766 1036248309 /nfs/dbraw/zinc/24/83/09/1036248309.db2.gz UFLLNTMEQUJZSL-SFHVURJKSA-N 1 0 341.499 4.151 20 30 EIEDRO C=CCC1([NH2+]C2CCC(c3ccc(OC)cc3)CC2)CCOCC1 ZINC000668551316 1036287216 /nfs/dbraw/zinc/28/72/16/1036287216.db2.gz JYNSQLGCKOBTQW-UHFFFAOYSA-N 1 0 329.484 4.436 20 30 EIEDRO C=CCC1([NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000668550487 1036287846 /nfs/dbraw/zinc/28/78/46/1036287846.db2.gz ADCKAWGBLHSZFC-CQSZACIVSA-N 1 0 327.390 4.351 20 30 EIEDRO C[C@@H](CCC#N)C[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000602458500 1036455796 /nfs/dbraw/zinc/45/57/96/1036455796.db2.gz MUAYJBGMFORKFX-UGSOOPFHSA-N 1 0 345.874 4.028 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000602480757 1036462285 /nfs/dbraw/zinc/46/22/85/1036462285.db2.gz XWNUIVBWYRVUFO-VXGBXAGGSA-N 1 0 331.407 4.281 20 30 EIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC1CCC(C#N)CC1 ZINC000602489912 1036466922 /nfs/dbraw/zinc/46/69/22/1036466922.db2.gz FXOYRNCOHBSXCE-UHFFFAOYSA-N 1 0 329.513 4.038 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1N[C@H](C)CC1(C#N)CCOCC1 ZINC000602498384 1036471615 /nfs/dbraw/zinc/47/16/15/1036471615.db2.gz YUSMZEMATSXIJE-GOSISDBHSA-N 1 0 341.499 4.102 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCSc1ccc(Cl)cc1 ZINC000602504795 1036480331 /nfs/dbraw/zinc/48/03/31/1036480331.db2.gz VRHAIYVGMQPSPU-CQSZACIVSA-N 1 0 338.904 4.121 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000602509300 1036483315 /nfs/dbraw/zinc/48/33/15/1036483315.db2.gz DTHQFXXUDPOVFA-ZRZPHAQCSA-N 1 0 335.451 4.394 20 30 EIEDRO Cc1[nH]c2c(cc(C)cc2C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1C ZINC000602545942 1036488549 /nfs/dbraw/zinc/48/85/49/1036488549.db2.gz SUQFSOMFDGYCTA-OAHLLOKOSA-N 1 0 339.483 4.282 20 30 EIEDRO CC(C)CCOc1ccccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602529464 1036492564 /nfs/dbraw/zinc/49/25/64/1036492564.db2.gz UXFNYHBQYDTNRW-SFHVURJKSA-N 1 0 344.499 4.300 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000602526442 1036493741 /nfs/dbraw/zinc/49/37/41/1036493741.db2.gz LFLRDQYQEAJKPN-KRWDZBQOSA-N 1 0 344.499 4.190 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]C2CCC(C#N)CC2)cnn1-c1ccc(F)cc1 ZINC000602533492 1036497392 /nfs/dbraw/zinc/49/73/92/1036497392.db2.gz HQLLMJFLPRCPPT-BZOOQXSSSA-N 1 0 326.419 4.053 20 30 EIEDRO C[C@@H](NC1(C[NH2+]C2CCC(C#N)CC2)CCCC1)c1ccccc1 ZINC000602551071 1036501091 /nfs/dbraw/zinc/50/10/91/1036501091.db2.gz BTTLEFVAAXQNJG-PGYGNJIDSA-N 1 0 325.500 4.322 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000602600577 1036505765 /nfs/dbraw/zinc/50/57/65/1036505765.db2.gz OSSBYZZSRRGUNC-CZUORRHYSA-N 1 0 326.362 4.019 20 30 EIEDRO COc1cccc(/C=N/Cc2ccc(C[NH+]3CCCCC3)cc2)c1O ZINC000027121291 1036507141 /nfs/dbraw/zinc/50/71/41/1036507141.db2.gz MDVUFWUCEUPNQD-PXLXIMEGSA-N 1 0 338.451 4.006 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(C(F)(F)F)cc1 ZINC000602580203 1036509855 /nfs/dbraw/zinc/50/98/55/1036509855.db2.gz FDAAVNFTUAZVCY-KRWDZBQOSA-N 1 0 333.357 4.459 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N(C)C)cc1 ZINC000060830160 1036528216 /nfs/dbraw/zinc/52/82/16/1036528216.db2.gz MOTAAGCAXOJJJL-HXUWFJFHSA-N 1 0 344.886 4.297 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000602643820 1036535990 /nfs/dbraw/zinc/53/59/90/1036535990.db2.gz LIYLLYAWDZJART-TZMCWYRMSA-N 1 0 326.271 4.102 20 30 EIEDRO N#CC1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000602645236 1036537963 /nfs/dbraw/zinc/53/79/63/1036537963.db2.gz QSKOPYVNACCZJU-MBRGGSNBSA-N 1 0 346.780 4.064 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000502712824 1036550872 /nfs/dbraw/zinc/55/08/72/1036550872.db2.gz RJZZDTUZZRRMKS-INIZCTEOSA-N 1 0 325.456 4.414 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000602676210 1036554100 /nfs/dbraw/zinc/55/41/00/1036554100.db2.gz MIMPDNBJPMERQF-BZUAXINKSA-N 1 0 332.875 4.275 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602664268 1036560108 /nfs/dbraw/zinc/56/01/08/1036560108.db2.gz YNEAYRLGAQDJAE-UHFFFAOYSA-N 1 0 329.322 4.033 20 30 EIEDRO N#CC1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000602688387 1036561718 /nfs/dbraw/zinc/56/17/18/1036561718.db2.gz BDRTYIIESKNWQF-UHFFFAOYSA-N 1 0 327.653 4.274 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cc1F ZINC000602681834 1036573301 /nfs/dbraw/zinc/57/33/01/1036573301.db2.gz NBXGILSVCAEQDS-KNQAVFIVSA-N 1 0 349.453 4.155 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)c2ccccc21 ZINC000602712367 1036584905 /nfs/dbraw/zinc/58/49/05/1036584905.db2.gz NBPYSTWPJACQCB-FUICEZJUSA-N 1 0 340.467 4.229 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CSCc2ccc(Br)cc21 ZINC000602712452 1036587408 /nfs/dbraw/zinc/58/74/08/1036587408.db2.gz WRABKHWCBFACSB-XHDPSFHLSA-N 1 0 339.302 4.266 20 30 EIEDRO C[C@@H](CCC#N)C[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000602720184 1036593067 /nfs/dbraw/zinc/59/30/67/1036593067.db2.gz DDIWLHGOGONXRJ-INIZCTEOSA-N 1 0 344.503 4.312 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC000602723320 1036595695 /nfs/dbraw/zinc/59/56/95/1036595695.db2.gz FBXXJSMUEWSQIH-KDOFPFPSSA-N 1 0 332.875 4.406 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC1(CC#N)CC1 ZINC000602771133 1036615857 /nfs/dbraw/zinc/61/58/57/1036615857.db2.gz DLGXHHHDUOUQMJ-UHFFFAOYSA-N 1 0 327.403 4.039 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000602781083 1036622122 /nfs/dbraw/zinc/62/21/22/1036622122.db2.gz GZGQICQEAYDLPB-YADHBBJMSA-N 1 0 332.447 4.031 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602892306 1036661895 /nfs/dbraw/zinc/66/18/95/1036661895.db2.gz KGANIKVJNFUPJR-UHFFFAOYSA-N 1 0 338.377 4.343 20 30 EIEDRO CCC[NH+](CCC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000027271330 1036700465 /nfs/dbraw/zinc/70/04/65/1036700465.db2.gz XNAKROTWNOYYBL-UHFFFAOYSA-N 1 0 344.503 4.152 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000598601521 1036702996 /nfs/dbraw/zinc/70/29/96/1036702996.db2.gz GSOCAKSYYVCKIO-KKSFZXQISA-N 1 0 347.462 4.177 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(-c2ccc(F)cc2)cc1 ZINC000598602495 1036704863 /nfs/dbraw/zinc/70/48/63/1036704863.db2.gz SPZLAOHPBNBMEP-MGPUTAFESA-N 1 0 340.442 4.444 20 30 EIEDRO CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000598586056 1036706143 /nfs/dbraw/zinc/70/61/43/1036706143.db2.gz CTMMPPUDLYWDME-XJKSGUPXSA-N 1 0 342.405 4.389 20 30 EIEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598619706 1036717605 /nfs/dbraw/zinc/71/76/05/1036717605.db2.gz WQGDFZXMVIZSCB-MJGOQNOKSA-N 1 0 336.907 4.188 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)CC2 ZINC000589337191 1036737469 /nfs/dbraw/zinc/73/74/69/1036737469.db2.gz UCUPQFZYDMUJEA-GOSISDBHSA-N 1 0 346.352 4.276 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CN[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000589341701 1036739258 /nfs/dbraw/zinc/73/92/58/1036739258.db2.gz HMPWBZGYAJCWGA-IERDGZPVSA-N 1 0 333.479 4.265 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(CCOCc3ccccc3)CC1)CC2 ZINC000589343783 1036743296 /nfs/dbraw/zinc/74/32/96/1036743296.db2.gz YYCOGHHMMWOWHV-OAQYLSRUSA-N 1 0 332.447 4.275 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@H]3CCc4ccc(C#N)cc43)C2)cc1F ZINC000589344237 1036743386 /nfs/dbraw/zinc/74/33/86/1036743386.db2.gz USJJNEOEAPFNEX-ZWOKBUDYSA-N 1 0 336.410 4.229 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1OC ZINC000668627917 1036749203 /nfs/dbraw/zinc/74/92/03/1036749203.db2.gz NRUOAKVVJJZHML-MOPGFXCFSA-N 1 0 345.483 4.041 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1(c2ccc(Cl)cc2)CCCC1 ZINC000598700787 1036751475 /nfs/dbraw/zinc/75/14/75/1036751475.db2.gz QSXOHXZQKCSEPX-KRWDZBQOSA-N 1 0 334.891 4.042 20 30 EIEDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000502867340 1036752937 /nfs/dbraw/zinc/75/29/37/1036752937.db2.gz MAHSXTYTAFNLDJ-ARFHVFGLSA-N 1 0 345.512 4.045 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000598724095 1036760367 /nfs/dbraw/zinc/76/03/67/1036760367.db2.gz MDPSQRAZEHQPSL-TZIWHRDSSA-N 1 0 334.463 4.231 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000598720725 1036760600 /nfs/dbraw/zinc/76/06/00/1036760600.db2.gz QDQCMOASLJXDBU-ZDUSSCGKSA-N 1 0 343.298 4.161 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000598728913 1036765491 /nfs/dbraw/zinc/76/54/91/1036765491.db2.gz XGBAKBWKIZDXJA-NXHRZFHOSA-N 1 0 334.891 4.257 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000598728867 1036766065 /nfs/dbraw/zinc/76/60/65/1036766065.db2.gz XGBAKBWKIZDXJA-NJAFHUGGSA-N 1 0 334.891 4.257 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000572528019 1036787320 /nfs/dbraw/zinc/78/73/20/1036787320.db2.gz UDJQSRXGEPPQFR-CQSZACIVSA-N 1 0 335.407 4.196 20 30 EIEDRO CCCCN(C(=O)c1cscc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000598809618 1036789551 /nfs/dbraw/zinc/78/95/51/1036789551.db2.gz IMQWXZAESGVHMV-UHFFFAOYSA-N 1 0 347.528 4.171 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2OC)ccc1C#N ZINC000421854429 1036808069 /nfs/dbraw/zinc/80/80/69/1036808069.db2.gz LKFKLQISLIJENZ-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)o1 ZINC000599009839 1036844691 /nfs/dbraw/zinc/84/46/91/1036844691.db2.gz MMURKKNNNNDBFB-KRWDZBQOSA-N 1 0 325.799 4.453 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCN2Cc3ccccc3C2)cc1Cl ZINC000589645928 1036858856 /nfs/dbraw/zinc/85/88/56/1036858856.db2.gz IYDVRCNHMGCQSE-UHFFFAOYSA-N 1 0 342.870 4.010 20 30 EIEDRO Cc1cc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)ccc1C#N ZINC000486801748 1036863479 /nfs/dbraw/zinc/86/34/79/1036863479.db2.gz NCHCFCJWHDOMJW-GOSISDBHSA-N 1 0 326.465 4.109 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1 ZINC000599057338 1036864486 /nfs/dbraw/zinc/86/44/86/1036864486.db2.gz CQHIFGQUBTUTNN-FUHWJXTLSA-N 1 0 342.487 4.064 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](c2cccs2)C2CC2)cc(OC)c1O ZINC000603509746 1036871155 /nfs/dbraw/zinc/87/11/55/1036871155.db2.gz OYPFBKOQYXJQPD-SFHVURJKSA-N 1 0 329.465 4.432 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000593695313 1036900494 /nfs/dbraw/zinc/90/04/94/1036900494.db2.gz KQNYUDUNZYCVAP-QGZVFWFLSA-N 1 0 325.500 4.081 20 30 EIEDRO CCC[N@H+](CC(C)(C)CCC#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000503098012 1036914963 /nfs/dbraw/zinc/91/49/63/1036914963.db2.gz KPDVZGZOYJUHFO-QGZVFWFLSA-N 1 0 329.488 4.446 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)cc1OC(F)F ZINC000599264287 1036930131 /nfs/dbraw/zinc/93/01/31/1036930131.db2.gz ACAQRSZJUJECTL-UHFFFAOYSA-N 1 0 346.377 4.109 20 30 EIEDRO CCc1ccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000593721335 1036934140 /nfs/dbraw/zinc/93/41/40/1036934140.db2.gz LGZAYUZNOMEUSW-INIZCTEOSA-N 1 0 337.467 4.029 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccn1 ZINC000593723740 1036943719 /nfs/dbraw/zinc/94/37/19/1036943719.db2.gz YDVSNNJTJWYWHN-QFIPXVFZSA-N 1 0 348.494 4.049 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]C(C3CCC3)C3CCC3)CC2)c1 ZINC000593724660 1036947053 /nfs/dbraw/zinc/94/70/53/1036947053.db2.gz FRNBZBGBAVKTLI-UHFFFAOYSA-N 1 0 337.511 4.081 20 30 EIEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000503158607 1036952998 /nfs/dbraw/zinc/95/29/98/1036952998.db2.gz AHMNVUBGVVXFGK-LJQANCHMSA-N 1 0 349.434 4.163 20 30 EIEDRO Cc1csc([C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C2CC2)n1 ZINC000174541833 1036962684 /nfs/dbraw/zinc/96/26/84/1036962684.db2.gz MOCXIKQWBIFNEN-GOSISDBHSA-N 1 0 341.480 4.375 20 30 EIEDRO CC(C)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599350367 1036967873 /nfs/dbraw/zinc/96/78/73/1036967873.db2.gz WDLYPKPQOCCDEZ-HOTGVXAUSA-N 1 0 340.389 4.047 20 30 EIEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000599371190 1036972223 /nfs/dbraw/zinc/97/22/23/1036972223.db2.gz NESUJCYXJNVACO-NHCUHLMSSA-N 1 0 338.426 4.358 20 30 EIEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccnc(C#N)c1 ZINC000590202332 1037008963 /nfs/dbraw/zinc/00/89/63/1037008963.db2.gz SKBFHMTVDIWALF-IBGZPJMESA-N 1 0 327.859 4.354 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000599431820 1037010008 /nfs/dbraw/zinc/01/00/08/1037010008.db2.gz PRWISBWMSCSHDK-GOSISDBHSA-N 1 0 348.368 4.099 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000590254416 1037021766 /nfs/dbraw/zinc/02/17/66/1037021766.db2.gz VNLGGPIDAUANGG-QKYXUNIQSA-N 1 0 340.467 4.037 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C1 ZINC000590254410 1037023134 /nfs/dbraw/zinc/02/31/34/1037023134.db2.gz VNLGGPIDAUANGG-CVAIRZPRSA-N 1 0 340.467 4.037 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000590259689 1037023510 /nfs/dbraw/zinc/02/35/10/1037023510.db2.gz LZPBYCMVDULLJQ-QGZVFWFLSA-N 1 0 345.368 4.182 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(Br)c1 ZINC000590261727 1037037716 /nfs/dbraw/zinc/03/77/16/1037037716.db2.gz PFTJUKXIFAKLPZ-DMDPSCGWSA-N 1 0 325.225 4.321 20 30 EIEDRO N#CC1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000057397559 1037050731 /nfs/dbraw/zinc/05/07/31/1037050731.db2.gz PPNHHEPWDIPPQF-UHFFFAOYSA-N 1 0 339.483 4.128 20 30 EIEDRO Cc1cc(C)c(C#N)c(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000603856173 1037050572 /nfs/dbraw/zinc/05/05/72/1037050572.db2.gz WLQMYZJZUBCWPA-MRXNPFEDSA-N 1 0 348.494 4.414 20 30 EIEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271912429 1037053354 /nfs/dbraw/zinc/05/33/54/1037053354.db2.gz YFGKWTYKHXHDFO-MGPUTAFESA-N 1 0 336.435 4.326 20 30 EIEDRO N#Cc1ccc(C2([NH2+]CC/C=C/c3ccccc3)CCOCC2)cc1 ZINC000599630396 1037100433 /nfs/dbraw/zinc/10/04/33/1037100433.db2.gz NMFOECBJXSAUSZ-XBXARRHUSA-N 1 0 332.447 4.257 20 30 EIEDRO N#Cc1ccc(C2([NH2+]CC[C@@H]3CCc4ccccc43)CCOCC2)cc1 ZINC000599629360 1037100661 /nfs/dbraw/zinc/10/06/61/1037100661.db2.gz DVVIKLPCEPLCBJ-FQEVSTJZSA-N 1 0 346.474 4.274 20 30 EIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3sccc3Cl)C2)c(F)c1 ZINC000487285769 1037100976 /nfs/dbraw/zinc/10/09/76/1037100976.db2.gz CRFGWFSJRPBMCJ-CYBMUJFWSA-N 1 0 349.862 4.171 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cc(C)ccc1C ZINC000599639758 1037106274 /nfs/dbraw/zinc/10/62/74/1037106274.db2.gz AMYJHVJWKVCDKA-HXUWFJFHSA-N 1 0 336.435 4.203 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599676248 1037117093 /nfs/dbraw/zinc/11/70/93/1037117093.db2.gz COJXPJBFGHRTQA-GOSISDBHSA-N 1 0 349.261 4.387 20 30 EIEDRO CC1(C#N)CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000272585715 1037237079 /nfs/dbraw/zinc/23/70/79/1037237079.db2.gz OVHXXBYXBNJOEB-UHFFFAOYSA-N 1 0 334.463 4.418 20 30 EIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488138917 1037373938 /nfs/dbraw/zinc/37/39/38/1037373938.db2.gz YAHFBXRBKPRNQF-KRWDZBQOSA-N 1 0 325.481 4.395 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166653517 1037392418 /nfs/dbraw/zinc/39/24/18/1037392418.db2.gz OVMFXAFMDVAORR-VOBQZIQPSA-N 1 0 343.854 4.127 20 30 EIEDRO CC[C@H](c1ccccc1)[N@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000604493451 1037407930 /nfs/dbraw/zinc/40/79/30/1037407930.db2.gz ZFWZDMZNNNXRSU-QGZVFWFLSA-N 1 0 341.480 4.422 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)cc1 ZINC000604770651 1037509652 /nfs/dbraw/zinc/50/96/52/1037509652.db2.gz AOQSDHFBRJIIRU-IBGZPJMESA-N 1 0 340.442 4.149 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sccc1C1CC1)C(C)C ZINC000591643553 1037540185 /nfs/dbraw/zinc/54/01/85/1037540185.db2.gz XRCATXKJVDYPPC-KRWDZBQOSA-N 1 0 332.513 4.054 20 30 EIEDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC000573618785 1037602300 /nfs/dbraw/zinc/60/23/00/1037602300.db2.gz XZVNDAWDBRLTRM-QGZVFWFLSA-N 1 0 338.426 4.161 20 30 EIEDRO COc1cc(C[NH2+]CC2(CC#N)CC2)ccc1OCc1cccs1 ZINC000430062354 1037702513 /nfs/dbraw/zinc/70/25/13/1037702513.db2.gz BCUCTFFHDYDQOY-UHFFFAOYSA-N 1 0 342.464 4.119 20 30 EIEDRO N#Cc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000592113694 1037737405 /nfs/dbraw/zinc/73/74/05/1037737405.db2.gz HCJKEKTVIPZUGH-SJLPKXTDSA-N 1 0 345.368 4.398 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000592182484 1037745140 /nfs/dbraw/zinc/74/51/40/1037745140.db2.gz BDDWEAIDSISLKG-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO C[C@@H]1C[C@]1([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000503434247 1037756439 /nfs/dbraw/zinc/75/64/39/1037756439.db2.gz RHYIGVFONFTLGD-DNVCBOLYSA-N 1 0 332.875 4.265 20 30 EIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1Cl ZINC000488792111 1037762033 /nfs/dbraw/zinc/76/20/33/1037762033.db2.gz NFWPGFMEOYBOSI-UHFFFAOYSA-N 1 0 326.827 4.385 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)C1 ZINC000592368921 1037776408 /nfs/dbraw/zinc/77/64/08/1037776408.db2.gz QUURBFOBVJJREO-KBXCAEBGSA-N 1 0 342.389 4.326 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCC(C)C)CCC(C)C)CC1 ZINC000592352067 1037784349 /nfs/dbraw/zinc/78/43/49/1037784349.db2.gz WWVWGZYFKDDUHV-UHFFFAOYSA-N 1 0 337.552 4.131 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000592390744 1037792932 /nfs/dbraw/zinc/79/29/32/1037792932.db2.gz RICZWUYEZNTJQM-GXFFZTMASA-N 1 0 327.653 4.274 20 30 EIEDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000592381059 1037794158 /nfs/dbraw/zinc/79/41/58/1037794158.db2.gz ZYVKFEVDONEMSM-MGPUTAFESA-N 1 0 338.476 4.121 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000592391425 1037794743 /nfs/dbraw/zinc/79/47/43/1037794743.db2.gz JNXGRRXEHHPNBA-NRFANRHFSA-N 1 0 342.446 4.106 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000489085934 1037863027 /nfs/dbraw/zinc/86/30/27/1037863027.db2.gz ANZHPVOAYAWWOX-OAHLLOKOSA-N 1 0 328.419 4.285 20 30 EIEDRO C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cccc(C[C@H](C#N)CO)c2)c1 ZINC000592984977 1037896282 /nfs/dbraw/zinc/89/62/82/1037896282.db2.gz DFQNAXWKHLCIRZ-YLJYHZDGSA-N 1 0 334.463 4.012 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(Br)cc1)Cc1ccc(C#N)cn1 ZINC000593947870 1037924239 /nfs/dbraw/zinc/92/42/39/1037924239.db2.gz BHKNFTGZRBHCFE-UHFFFAOYSA-N 1 0 344.256 4.126 20 30 EIEDRO C=C(C)[C@H](N[C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423051478 1037938264 /nfs/dbraw/zinc/93/82/64/1037938264.db2.gz NLWDOECAGIAEGD-YJYMSZOUSA-N 1 0 331.410 4.095 20 30 EIEDRO Cc1ccc(-c2nn(C)cc2C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000592497729 1038082429 /nfs/dbraw/zinc/08/24/29/1038082429.db2.gz ACXPHIYDYYLFFJ-UHFFFAOYSA-N 1 0 346.434 4.025 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695376 1038129718 /nfs/dbraw/zinc/12/97/18/1038129718.db2.gz MMDRCASIVDAAPC-GOSISDBHSA-N 1 0 325.500 4.247 20 30 EIEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000593712339 1038138415 /nfs/dbraw/zinc/13/84/15/1038138415.db2.gz NBAXIBQZXPMYSN-VMBOVVBDSA-N 1 0 346.471 4.083 20 30 EIEDRO CCc1csc(CC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000594019665 1038210737 /nfs/dbraw/zinc/21/07/37/1038210737.db2.gz PPHWWQCAIYVTLY-UHFFFAOYSA-N 1 0 325.481 4.032 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)c(F)c1 ZINC000423431922 1038232546 /nfs/dbraw/zinc/23/25/46/1038232546.db2.gz IXDAAZGERVKIST-KZULUSFZSA-N 1 0 339.414 4.233 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)cc1 ZINC000594020479 1038236646 /nfs/dbraw/zinc/23/66/46/1038236646.db2.gz YTJDEKZLRPUIIY-UHFFFAOYSA-N 1 0 342.446 4.075 20 30 EIEDRO N#CCCCCC(=O)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000594041870 1038239782 /nfs/dbraw/zinc/23/97/82/1038239782.db2.gz KEPVEZCRFGPINE-UHFFFAOYSA-N 1 0 347.890 4.243 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(C(F)(F)F)cn3)CCC2)cc1 ZINC000594033548 1038247038 /nfs/dbraw/zinc/24/70/38/1038247038.db2.gz SDIZSLRFDHHMAQ-UHFFFAOYSA-N 1 0 331.341 4.141 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CC3CCCC3)o2)cc1 ZINC000594054650 1038294494 /nfs/dbraw/zinc/29/44/94/1038294494.db2.gz UYRUWXKLAZIVGF-GOSISDBHSA-N 1 0 336.439 4.153 20 30 EIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000490064677 1038329065 /nfs/dbraw/zinc/32/90/65/1038329065.db2.gz QJKAWICVIXNMNL-GOSISDBHSA-N 1 0 332.806 4.170 20 30 EIEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000594433530 1038334136 /nfs/dbraw/zinc/33/41/36/1038334136.db2.gz GJNLVYOSUXZFRC-QZTJIDSGSA-N 1 0 347.890 4.099 20 30 EIEDRO C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)c2ccccc21 ZINC000594442054 1038336854 /nfs/dbraw/zinc/33/68/54/1038336854.db2.gz BMIMDWGCWVMIGB-ACJLOTCBSA-N 1 0 343.858 4.082 20 30 EIEDRO CCn1c2ccccc2c2cc(NC(=O)[C@@H]([NH3+])CCCCC#N)ccc21 ZINC000594426231 1038341606 /nfs/dbraw/zinc/34/16/06/1038341606.db2.gz OAQULJJCSQNPLD-SFHVURJKSA-N 1 0 348.450 4.164 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000594493456 1038343952 /nfs/dbraw/zinc/34/39/52/1038343952.db2.gz PGCQUUHRLHBSNK-UHFFFAOYSA-N 1 0 349.503 4.382 20 30 EIEDRO C[C@H](O)C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594498986 1038344957 /nfs/dbraw/zinc/34/49/57/1038344957.db2.gz XNIVNOPMJQGXQL-FXAWDEMLSA-N 1 0 336.479 4.132 20 30 EIEDRO Cc1nn(-c2ccccc2Cl)cc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000594506977 1038351812 /nfs/dbraw/zinc/35/18/12/1038351812.db2.gz ISOOWFDZJUICMR-HOCLYGCPSA-N 1 0 328.847 4.006 20 30 EIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(F)cc1N(C)C ZINC000594514585 1038357635 /nfs/dbraw/zinc/35/76/35/1038357635.db2.gz IVVAIXDUPKHNCN-OAHLLOKOSA-N 1 0 337.442 4.493 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594515584 1038358517 /nfs/dbraw/zinc/35/85/17/1038358517.db2.gz NXQQWAYBGLXOSG-HNNXBMFYSA-N 1 0 336.435 4.305 20 30 EIEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CCC2)cc1 ZINC000594518181 1038359804 /nfs/dbraw/zinc/35/98/04/1038359804.db2.gz MXEOGNRBQDUILG-GOSISDBHSA-N 1 0 333.391 4.123 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594519756 1038360092 /nfs/dbraw/zinc/36/00/92/1038360092.db2.gz USYICFDVQVXJMU-FHLIZLRMSA-N 1 0 342.483 4.040 20 30 EIEDRO CCc1csc(CC2CC[NH+](Cc3cc(C#N)cs3)CC2)n1 ZINC000594612410 1038382408 /nfs/dbraw/zinc/38/24/08/1038382408.db2.gz JSVJWUIRERQYON-UHFFFAOYSA-N 1 0 331.510 4.093 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1nc2ccccc2n1C(F)F ZINC000594708885 1038390285 /nfs/dbraw/zinc/39/02/85/1038390285.db2.gz CTIQGTVLVRKRTE-CYBMUJFWSA-N 1 0 340.377 4.196 20 30 EIEDRO CCC[N@H+](CC(=O)c1c(C)[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000063504274 1038395171 /nfs/dbraw/zinc/39/51/71/1038395171.db2.gz LULBMMJSANZDNW-UHFFFAOYSA-N 1 0 345.446 4.443 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)c1ccc(C#N)cc1 ZINC000075755606 1038432238 /nfs/dbraw/zinc/43/22/38/1038432238.db2.gz MWTNCTVCTARJAK-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO COc1ccc(C[N@@H+](Cc2cc(C#N)cs2)CC2CC2)c(OC)c1 ZINC000504590782 1038447862 /nfs/dbraw/zinc/44/78/62/1038447862.db2.gz SIGYJXPQEDFIAC-UHFFFAOYSA-N 1 0 342.464 4.049 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CCc2ccc(C)o2)cc1OC ZINC000608065154 1038480141 /nfs/dbraw/zinc/48/01/41/1038480141.db2.gz VCUZSTNOJKKDLM-HNNXBMFYSA-N 1 0 329.440 4.272 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(C(F)F)cc3)CCOCC2)c1 ZINC000594978474 1038486901 /nfs/dbraw/zinc/48/69/01/1038486901.db2.gz CAOUIOLVSZKCOK-UHFFFAOYSA-N 1 0 342.389 4.291 20 30 EIEDRO CC[C@H](C)c1ccc([C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(C)C)cc1 ZINC000424062633 1038488699 /nfs/dbraw/zinc/48/86/99/1038488699.db2.gz HIHYFORQMHFYDV-SNRMKQJTSA-N 1 0 329.488 4.035 20 30 EIEDRO CCCCCn1cc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c(C)n1 ZINC000594936231 1038489380 /nfs/dbraw/zinc/48/93/80/1038489380.db2.gz WNPIUFNZRFZUTI-UHFFFAOYSA-N 1 0 336.483 4.227 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC000594947073 1038526504 /nfs/dbraw/zinc/52/65/04/1038526504.db2.gz RULCOZJDLVPKCU-RTWAWAEBSA-N 1 0 332.447 4.252 20 30 EIEDRO C=CCNC(=O)C[N@H+](Cc1ccc(-c2cccc(F)c2)s1)C(C)C ZINC000063614898 1038611425 /nfs/dbraw/zinc/61/14/25/1038611425.db2.gz OELXQPHYNAOPFD-UHFFFAOYSA-N 1 0 346.471 4.067 20 30 EIEDRO CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424163624 1038697373 /nfs/dbraw/zinc/69/73/73/1038697373.db2.gz AKYTZGBETSPSEO-MSOLQXFVSA-N 1 0 347.890 4.051 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000424298528 1038773505 /nfs/dbraw/zinc/77/35/05/1038773505.db2.gz SOMSGCOEAWVMLD-VMXMFDLUSA-N 1 0 329.484 4.291 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cc(Cl)cc3Br)C1 ZINC000424323927 1038805801 /nfs/dbraw/zinc/80/58/01/1038805801.db2.gz JMTPAAAMLKTKPU-ISOBSLSZSA-N 1 0 339.664 4.372 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(F)cc(Br)c1 ZINC000424332577 1038809801 /nfs/dbraw/zinc/80/98/01/1038809801.db2.gz TVBWAFLSOWQTKL-COLVAYQJSA-N 1 0 325.225 4.321 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000539086420 1038816300 /nfs/dbraw/zinc/81/63/00/1038816300.db2.gz LQZHUHBNFYQUTD-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO N#CCCCn1cc(-c2nc(C3([NH3+])CCCCC3)no2)c2ccccc21 ZINC000424346194 1038833701 /nfs/dbraw/zinc/83/37/01/1038833701.db2.gz OTWJKWWFWYJSCS-UHFFFAOYSA-N 1 0 349.438 4.113 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCC2)o1 ZINC000237919139 1038865959 /nfs/dbraw/zinc/86/59/59/1038865959.db2.gz CIZPMDCBWPQWKR-UHFFFAOYSA-N 1 0 334.341 4.382 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000555104929 1038871085 /nfs/dbraw/zinc/87/10/85/1038871085.db2.gz WGNVQBAEMDNGCO-UHFFFAOYSA-N 1 0 334.341 4.401 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)ccc1OC(C)C ZINC000539253142 1038895589 /nfs/dbraw/zinc/89/55/89/1038895589.db2.gz RDLKQQCCQQUVFI-AWEZNQCLSA-N 1 0 342.414 4.344 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000505030059 1038901166 /nfs/dbraw/zinc/90/11/66/1038901166.db2.gz RZMKFCZKJGHGDT-IBGZPJMESA-N 1 0 341.499 4.191 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1OCC ZINC000539266698 1038901786 /nfs/dbraw/zinc/90/17/86/1038901786.db2.gz NYYHHGROVGRHGP-AWEZNQCLSA-N 1 0 342.414 4.346 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000505057867 1038926917 /nfs/dbraw/zinc/92/69/17/1038926917.db2.gz MPULREKFDBEQKH-IAGOWNOFSA-N 1 0 329.488 4.190 20 30 EIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000608977663 1038987474 /nfs/dbraw/zinc/98/74/74/1038987474.db2.gz XFFOZBDVOBWHAJ-PKOBYXMFSA-N 1 0 347.462 4.155 20 30 EIEDRO CC[N@H+](Cc1ccccc1)Cc1ccc(Br)c(C#N)c1 ZINC001232892305 1039035823 /nfs/dbraw/zinc/03/58/23/1039035823.db2.gz HJUXJGAVFLEULS-UHFFFAOYSA-N 1 0 329.241 4.343 20 30 EIEDRO COc1cc(CCC2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc(OC)c1 ZINC000555300474 1039039072 /nfs/dbraw/zinc/03/90/72/1039039072.db2.gz KKKDHQOWWNBMLL-MOPGFXCFSA-N 1 0 342.483 4.041 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000424740410 1039049091 /nfs/dbraw/zinc/04/90/91/1039049091.db2.gz RFWULDNYJDVPRC-WOJBJXKFSA-N 1 0 340.511 4.102 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)C1 ZINC000555427818 1039191856 /nfs/dbraw/zinc/19/18/56/1039191856.db2.gz NMWBJXCDZJSZQA-HPEXNQPKSA-N 1 0 337.236 4.321 20 30 EIEDRO C=CCOc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1 ZINC000456274238 1039229750 /nfs/dbraw/zinc/22/97/50/1039229750.db2.gz MJEIRFHRSFWWEK-FQEVSTJZSA-N 1 0 336.435 4.053 20 30 EIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(C4(C#N)CC4)cc3)ccc21 ZINC000456283422 1039250825 /nfs/dbraw/zinc/25/08/25/1039250825.db2.gz SRMNQLMMTCWEJL-HXUWFJFHSA-N 1 0 345.446 4.043 20 30 EIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[C@@H](CC#N)c3ccccc3)ccc21 ZINC000456320955 1039274072 /nfs/dbraw/zinc/27/40/72/1039274072.db2.gz OIQQIRWTWCQYTI-DYESRHJHSA-N 1 0 347.462 4.262 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000552258710 1039321278 /nfs/dbraw/zinc/32/12/78/1039321278.db2.gz VIKPBFVTCYORHP-DZFGPLHGSA-N 1 0 338.426 4.138 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)c(F)c1 ZINC000555524814 1039326110 /nfs/dbraw/zinc/32/61/10/1039326110.db2.gz PEGUUUAMRXQVTK-QGZVFWFLSA-N 1 0 328.431 4.429 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000481358861 1039339838 /nfs/dbraw/zinc/33/98/38/1039339838.db2.gz JWKOEXNSXJYFKQ-KZULUSFZSA-N 1 0 332.806 4.217 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1Cl ZINC000552279609 1039357128 /nfs/dbraw/zinc/35/71/28/1039357128.db2.gz XMRXNOUQJCEROQ-UHFFFAOYSA-N 1 0 335.875 4.297 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000481391692 1039374730 /nfs/dbraw/zinc/37/47/30/1039374730.db2.gz MREFBHNSOFPEEC-LIRRHRJNSA-N 1 0 331.818 4.196 20 30 EIEDRO N#CCc1cccc2c1CCN(Cc1cnc(C3CCCC3)s1)C2 ZINC000600212770 1039375306 /nfs/dbraw/zinc/37/53/06/1039375306.db2.gz JDELWBLTXZBELI-UHFFFAOYSA-N 1 0 337.492 4.425 20 30 EIEDRO CCN(Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000534487224 1039492954 /nfs/dbraw/zinc/49/29/54/1039492954.db2.gz PQEHEZLLLOBHEY-AWEZNQCLSA-N 1 0 340.398 4.067 20 30 EIEDRO CCN(Cc1cccc(C(=O)OC)c1C#N)[C@H](C)c1ccc(F)cc1 ZINC000534487228 1039495299 /nfs/dbraw/zinc/49/52/99/1039495299.db2.gz PQEHEZLLLOBHEY-CQSZACIVSA-N 1 0 340.398 4.067 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccco1 ZINC000514091584 1039592238 /nfs/dbraw/zinc/59/22/38/1039592238.db2.gz ZRMBGDANQZGAOQ-SJORKVTESA-N 1 0 346.496 4.012 20 30 EIEDRO CCCc1ccc([C@H]([NH2+]C[C@H](O)CC2(C#N)CCC2)C(C)C)cc1 ZINC001168349752 1039609920 /nfs/dbraw/zinc/60/99/20/1039609920.db2.gz CGYSPQFOOQOGLB-WOJBJXKFSA-N 1 0 328.500 4.371 20 30 EIEDRO C=CC[N@@H+](CCc1cccnc1)Cc1cc(Br)ccc1F ZINC000514106077 1039611204 /nfs/dbraw/zinc/61/12/04/1039611204.db2.gz VUAHCDMXVAXSQH-UHFFFAOYSA-N 1 0 349.247 4.214 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000481665875 1039715401 /nfs/dbraw/zinc/71/54/01/1039715401.db2.gz DRTGNZKONJOYTR-JOCHJYFZSA-N 1 0 337.511 4.322 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000481677282 1039729253 /nfs/dbraw/zinc/72/92/53/1039729253.db2.gz ZFPSMDUAFVNNMI-HXUWFJFHSA-N 1 0 335.407 4.066 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)[C@H]1COc2ccccc21 ZINC000481677154 1039730315 /nfs/dbraw/zinc/73/03/15/1039730315.db2.gz KUZJTMNXWDQUJS-IWMITWMQSA-N 1 0 332.447 4.480 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)[C@@H]1COc2ccccc21 ZINC000481677156 1039731693 /nfs/dbraw/zinc/73/16/93/1039731693.db2.gz KUZJTMNXWDQUJS-JHVJFLLYSA-N 1 0 332.447 4.480 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000093704320 1039742337 /nfs/dbraw/zinc/74/23/37/1039742337.db2.gz KRETZAMPCHUWJQ-XLIONFOSSA-N 1 0 335.451 4.054 20 30 EIEDRO CC1(C#N)CCN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)CC1 ZINC000899875583 1039758448 /nfs/dbraw/zinc/75/84/48/1039758448.db2.gz FBOMWBJWHOOPLL-UHFFFAOYSA-N 1 0 335.329 4.263 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)CCc2ccco2)ccc1OC ZINC000060927100 1039777653 /nfs/dbraw/zinc/77/76/53/1039777653.db2.gz QLBGLCBDYGWYDV-INIZCTEOSA-N 1 0 329.440 4.354 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)cc(OC)c1O ZINC000537659892 1039872906 /nfs/dbraw/zinc/87/29/06/1039872906.db2.gz QBLVQIKCNFUHPV-LJQANCHMSA-N 1 0 340.467 4.195 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Br)s1 ZINC000404621645 1039899559 /nfs/dbraw/zinc/89/95/59/1039899559.db2.gz XWGTZHUAQLOFNQ-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO C=CCOc1ccccc1C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000024927870 1039916295 /nfs/dbraw/zinc/91/62/95/1039916295.db2.gz HGDAGWWTFDKXED-UHFFFAOYSA-N 1 0 338.451 4.346 20 30 EIEDRO C=CC[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000505584804 1039965015 /nfs/dbraw/zinc/96/50/15/1039965015.db2.gz BYJSAYKVIYVQBO-YYWHXJBOSA-N 1 0 336.479 4.154 20 30 EIEDRO C=CCC[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000123240469 1039966910 /nfs/dbraw/zinc/96/69/10/1039966910.db2.gz SCJPHHDRLINUAA-LYBXBRPPSA-N 1 0 343.515 4.114 20 30 EIEDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000535266463 1040111024 /nfs/dbraw/zinc/11/10/24/1040111024.db2.gz VRMZFZHYERLUJH-KRWDZBQOSA-N 1 0 331.341 4.176 20 30 EIEDRO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428780818 1040197382 /nfs/dbraw/zinc/19/73/82/1040197382.db2.gz CZSUWDXXQTWVCX-QZTJIDSGSA-N 1 0 341.842 4.211 20 30 EIEDRO N#CCc1ccc(CN2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000551405642 1040267090 /nfs/dbraw/zinc/26/70/90/1040267090.db2.gz WWYAVXBIGMNRHJ-IBGZPJMESA-N 1 0 330.353 4.102 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000667468560 1040267950 /nfs/dbraw/zinc/26/79/50/1040267950.db2.gz PZSFGYBPMZGLHW-CRAIPNDOSA-N 1 0 329.488 4.130 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1OC ZINC000194351077 1040282350 /nfs/dbraw/zinc/28/23/50/1040282350.db2.gz WYROYANOHVLEPL-LSDHHAIUSA-N 1 0 340.423 4.018 20 30 EIEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000160009084 1040302270 /nfs/dbraw/zinc/30/22/70/1040302270.db2.gz PFUCZADYSJWTGY-GOSISDBHSA-N 1 0 348.494 4.253 20 30 EIEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000479418203 1040320422 /nfs/dbraw/zinc/32/04/22/1040320422.db2.gz DNFXUMTUCQOWQJ-CMTQZCSUSA-N 1 0 339.483 4.225 20 30 EIEDRO CO[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cccc(Cl)c1 ZINC000174641652 1040324728 /nfs/dbraw/zinc/32/47/28/1040324728.db2.gz HUUPVXFDQBHOEB-LIRRHRJNSA-N 1 0 344.842 4.108 20 30 EIEDRO CCN(CC)c1ncc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425364102 1040334135 /nfs/dbraw/zinc/33/41/35/1040334135.db2.gz FCSZQQPYYGJTHL-CQSZACIVSA-N 1 0 328.485 4.054 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000425365271 1040339431 /nfs/dbraw/zinc/33/94/31/1040339431.db2.gz JSGQDYQPCUEDCT-KRWDZBQOSA-N 1 0 333.435 4.434 20 30 EIEDRO COc1cc[nH+]c(NCc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000535543710 1040347629 /nfs/dbraw/zinc/34/76/29/1040347629.db2.gz RNNPCRWOCJLZBB-UHFFFAOYSA-N 1 0 345.402 4.153 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCc3ccccc3C2)c(-c2ccccc2)n1 ZINC000154447169 1040421896 /nfs/dbraw/zinc/42/18/96/1040421896.db2.gz NBGJOPDSDLDWGJ-UHFFFAOYSA-N 1 0 342.446 4.022 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508851400 1040450645 /nfs/dbraw/zinc/45/06/45/1040450645.db2.gz GZVXFDKGZOEZDJ-HKUYNNGSSA-N 1 0 331.504 4.066 20 30 EIEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000539494545 1040471479 /nfs/dbraw/zinc/47/14/79/1040471479.db2.gz JMISTLFTTUPHHA-UZLBHIALSA-N 1 0 337.442 4.325 20 30 EIEDRO CC#CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000462315753 1040474505 /nfs/dbraw/zinc/47/45/05/1040474505.db2.gz QUSJFZNCZPLTQW-FQEVSTJZSA-N 1 0 341.476 4.126 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000462324789 1040491809 /nfs/dbraw/zinc/49/18/09/1040491809.db2.gz DKFFZIMVHFVEPR-MRXNPFEDSA-N 1 0 335.451 4.142 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc(C#N)c1 ZINC000539509414 1040500559 /nfs/dbraw/zinc/50/05/59/1040500559.db2.gz ZSHNEKCFZRYPAU-CZUORRHYSA-N 1 0 343.833 4.280 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)o1 ZINC000479608388 1040506570 /nfs/dbraw/zinc/50/65/70/1040506570.db2.gz VLDNDXVLLRQEKP-INIZCTEOSA-N 1 0 349.203 4.294 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000435674378 1040537700 /nfs/dbraw/zinc/53/77/00/1040537700.db2.gz YQICKYTUDMYAAE-NOLJZWGESA-N 1 0 329.362 4.217 20 30 EIEDRO C[C@H]([NH2+]C1(CNCc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000237527402 1040551559 /nfs/dbraw/zinc/55/15/59/1040551559.db2.gz RXKXHARPCNGXDA-SFHVURJKSA-N 1 0 333.479 4.311 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000482899292 1040559786 /nfs/dbraw/zinc/55/97/86/1040559786.db2.gz JZPBARBPSBWOGQ-QGZVFWFLSA-N 1 0 333.435 4.288 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000435732509 1040586477 /nfs/dbraw/zinc/58/64/77/1040586477.db2.gz PIZQOPPIKABSAG-UWJYYQICSA-N 1 0 339.483 4.067 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000435732748 1040586572 /nfs/dbraw/zinc/58/65/72/1040586572.db2.gz RJMIELSMZHGUOM-WFASDCNBSA-N 1 0 333.781 4.430 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000435746174 1040599769 /nfs/dbraw/zinc/59/97/69/1040599769.db2.gz UKYFRZFQLOJJJJ-HNAYVOBHSA-N 1 0 334.891 4.011 20 30 EIEDRO C[C@@H](NCC#Cc1ccccc1Cl)c1ccc(Br)cn1 ZINC000482957331 1040601611 /nfs/dbraw/zinc/60/16/11/1040601611.db2.gz IIZIORKEXBYPNC-GFCCVEGCSA-N 1 0 349.659 4.200 20 30 EIEDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000539607449 1040605134 /nfs/dbraw/zinc/60/51/34/1040605134.db2.gz OCDMKGMWHIBRLK-CYBMUJFWSA-N 1 0 343.471 4.316 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cccc3cccnc32)cc1 ZINC000539704436 1040709444 /nfs/dbraw/zinc/70/94/44/1040709444.db2.gz UMNDVEBGHUTPAN-UHFFFAOYSA-N 1 0 340.348 4.395 20 30 EIEDRO Cc1cccc(C[NH+](CCCC(C)(C)C#N)Cc2cccc(C)n2)n1 ZINC000085904823 1040711640 /nfs/dbraw/zinc/71/16/40/1040711640.db2.gz BBKQCQBZMYTCCE-UHFFFAOYSA-N 1 0 336.483 4.426 20 30 EIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000595055640 1040799012 /nfs/dbraw/zinc/79/90/12/1040799012.db2.gz HLURSOHUSFYRQB-QGZVFWFLSA-N 1 0 345.368 4.182 20 30 EIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCC3CCCCC3)CC2)c1 ZINC000483300646 1040810273 /nfs/dbraw/zinc/81/02/73/1040810273.db2.gz YEWBDTZATSHIBU-UHFFFAOYSA-N 1 0 339.483 4.179 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(OC)cc2)c1 ZINC000537868327 1040862407 /nfs/dbraw/zinc/86/24/07/1040862407.db2.gz NXUPVIAGYDRIRB-HRAATJIYSA-N 1 0 341.451 4.126 20 30 EIEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000137274324 1040873489 /nfs/dbraw/zinc/87/34/89/1040873489.db2.gz LPBSSONUCRJFJA-QGZVFWFLSA-N 1 0 345.443 4.074 20 30 EIEDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000161006303 1040903019 /nfs/dbraw/zinc/90/30/19/1040903019.db2.gz TUMXHTKOTASJAK-UHFFFAOYSA-N 1 0 326.415 4.126 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)ccc1OC ZINC000462768065 1040904044 /nfs/dbraw/zinc/90/40/44/1040904044.db2.gz UPXFPOMJSBQFSZ-VQTJNVASSA-N 1 0 337.463 4.371 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)NC(CC)CC ZINC000554243278 1040911566 /nfs/dbraw/zinc/91/15/66/1040911566.db2.gz PTXIMWGJZOXFPV-GFCCVEGCSA-N 1 0 328.909 4.083 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000898515838 1040970784 /nfs/dbraw/zinc/97/07/84/1040970784.db2.gz GLXMCQYUJIOWPC-WOJBJXKFSA-N 1 0 342.483 4.008 20 30 EIEDRO CC1(C)C[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000554309238 1040986194 /nfs/dbraw/zinc/98/61/94/1040986194.db2.gz OINIJHVFCSMLOT-SFHVURJKSA-N 1 0 339.464 4.031 20 30 EIEDRO Oc1ccc2c(c1)[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)CCC2 ZINC000462814327 1040988215 /nfs/dbraw/zinc/98/82/15/1040988215.db2.gz PBLDEJSVFATOOB-IBGZPJMESA-N 1 0 345.364 4.430 20 30 EIEDRO C[C@@H](C1CC1)[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000505779159 1040995281 /nfs/dbraw/zinc/99/52/81/1040995281.db2.gz YNQGDITXYVLMQJ-INIZCTEOSA-N 1 0 330.435 4.007 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000436280984 1041025350 /nfs/dbraw/zinc/02/53/50/1041025350.db2.gz CSYAYSPACDIGHC-UNEWFSDZSA-N 1 0 325.399 4.310 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000436282251 1041026937 /nfs/dbraw/zinc/02/69/37/1041026937.db2.gz HDTFWHOEFBKDEO-XYPHTWIQSA-N 1 0 336.273 4.007 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000436281808 1041028214 /nfs/dbraw/zinc/02/82/14/1041028214.db2.gz FOGKSYFQDCXBIE-IOASZLSFSA-N 1 0 329.362 4.217 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000436283764 1041029435 /nfs/dbraw/zinc/02/94/35/1041029435.db2.gz KTOQVDHNNXQIBX-MKBNYLNASA-N 1 0 342.252 4.220 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000436286111 1041036919 /nfs/dbraw/zinc/03/69/19/1041036919.db2.gz AQQOWKNOTHVFKH-ZQIUZPCESA-N 1 0 325.399 4.228 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540048351 1041053235 /nfs/dbraw/zinc/05/32/35/1041053235.db2.gz VZSOUOJKPOLLHZ-INIZCTEOSA-N 1 0 346.430 4.180 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000436292338 1041057710 /nfs/dbraw/zinc/05/77/10/1041057710.db2.gz LJTBXVGOWXAFHB-UNEWFSDZSA-N 1 0 327.390 4.207 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000436293215 1041060153 /nfs/dbraw/zinc/06/01/53/1041060153.db2.gz DEGMROANPFBMOZ-UNEWFSDZSA-N 1 0 343.389 4.260 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC000436295801 1041063283 /nfs/dbraw/zinc/06/32/83/1041063283.db2.gz HQBZEAFFWUYAEV-BVPCWRRESA-N 1 0 329.484 4.292 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@H](CC(C)C)c2ccccc2)c1C#N ZINC000538144783 1041079160 /nfs/dbraw/zinc/07/91/60/1041079160.db2.gz ZFHNNXXKJIRMFD-HXUWFJFHSA-N 1 0 336.435 4.222 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000436313838 1041083594 /nfs/dbraw/zinc/08/35/94/1041083594.db2.gz MGXYVYOZISPVAS-JQFCIGGWSA-N 1 0 341.373 4.143 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000436314369 1041084283 /nfs/dbraw/zinc/08/42/83/1041084283.db2.gz NDULMMWYDJRACK-BWAGFHJFSA-N 1 0 348.446 4.488 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1-n1cccn1 ZINC000538158467 1041101973 /nfs/dbraw/zinc/10/19/73/1041101973.db2.gz BFABONGXAUWZQR-INIZCTEOSA-N 1 0 335.838 4.228 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1C#N ZINC000480300076 1041192235 /nfs/dbraw/zinc/19/22/35/1041192235.db2.gz HHOFRXGHYWPMBA-FUHWJXTLSA-N 1 0 347.384 4.341 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540167475 1041210421 /nfs/dbraw/zinc/21/04/21/1041210421.db2.gz ZMOVNBXJRHPALD-VHSXEESVSA-N 1 0 346.784 4.092 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000484358793 1041215813 /nfs/dbraw/zinc/21/58/13/1041215813.db2.gz UMAUGJLCUYLZET-OAHLLOKOSA-N 1 0 347.418 4.292 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000540173611 1041219050 /nfs/dbraw/zinc/21/90/50/1041219050.db2.gz GKUDJCJGBUJRDI-RYUDHWBXSA-N 1 0 342.277 4.157 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000540202815 1041261382 /nfs/dbraw/zinc/26/13/82/1041261382.db2.gz LVRUVSMSJIFITA-UHFFFAOYSA-N 1 0 338.414 4.391 20 30 EIEDRO Cc1ccsc1[C@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000540220157 1041284468 /nfs/dbraw/zinc/28/44/68/1041284468.db2.gz LKVQPMCDNLMBON-FDYSRKEFSA-N 1 0 340.492 4.084 20 30 EIEDRO COc1ccccc1C1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC000538383719 1041289779 /nfs/dbraw/zinc/28/97/79/1041289779.db2.gz COUOQNLHDPLYPV-UHFFFAOYSA-N 1 0 326.465 4.230 20 30 EIEDRO CC1(c2cccc(Br)c2)CC[NH+](CC2(C#N)CC2)CC1 ZINC000538392408 1041310338 /nfs/dbraw/zinc/31/03/38/1041310338.db2.gz SFKBBOPMXYKRFW-UHFFFAOYSA-N 1 0 333.273 4.106 20 30 EIEDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N2CCCC2)cc1 ZINC000538394098 1041311488 /nfs/dbraw/zinc/31/14/88/1041311488.db2.gz NMSYSITVOQRKRW-AVRDEDQJSA-N 1 0 333.479 4.354 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000538398215 1041316491 /nfs/dbraw/zinc/31/64/91/1041316491.db2.gz LXOCTVOCQSAGHG-QGZVFWFLSA-N 1 0 333.479 4.046 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc(OC)c1O ZINC000480471905 1041327999 /nfs/dbraw/zinc/32/79/99/1041327999.db2.gz QDEPTSOKFCTSLU-GOSISDBHSA-N 1 0 345.483 4.101 20 30 EIEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075768139 1041345367 /nfs/dbraw/zinc/34/53/67/1041345367.db2.gz ZCNNINGUWNYBOD-IBGZPJMESA-N 1 0 346.434 4.061 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(C#N)c(F)c1 ZINC000538502518 1041381708 /nfs/dbraw/zinc/38/17/08/1041381708.db2.gz XSMYRLPFDQYTMW-HRAATJIYSA-N 1 0 337.442 4.185 20 30 EIEDRO O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000463189531 1041406937 /nfs/dbraw/zinc/40/69/37/1041406937.db2.gz ARSPZKHXYWPKNM-VAMGGRTRSA-N 1 0 331.887 4.097 20 30 EIEDRO CCC(CC)[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000540378855 1041427114 /nfs/dbraw/zinc/42/71/14/1041427114.db2.gz LFRZYZNDNFCVIN-LJQANCHMSA-N 1 0 341.480 4.325 20 30 EIEDRO CC[C@H](C)[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000540415077 1041442184 /nfs/dbraw/zinc/44/21/84/1041442184.db2.gz KYMAJFAAUWXKHG-JVPBZIDWSA-N 1 0 349.906 4.071 20 30 EIEDRO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000554844460 1041442451 /nfs/dbraw/zinc/44/24/51/1041442451.db2.gz XKHLJTLAFYPIHM-HZPDHXFCSA-N 1 0 335.451 4.361 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000554845905 1041445492 /nfs/dbraw/zinc/44/54/92/1041445492.db2.gz HJKPPVWNMAPTOU-INIZCTEOSA-N 1 0 338.373 4.121 20 30 EIEDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1OC(F)F ZINC000192941067 1041447351 /nfs/dbraw/zinc/44/73/51/1041447351.db2.gz LJHRZZUZSJIYSO-CYBMUJFWSA-N 1 0 346.377 4.409 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000463244914 1041451622 /nfs/dbraw/zinc/45/16/22/1041451622.db2.gz ZYRHASMDUVROOA-RDBSUJKOSA-N 1 0 338.282 4.244 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1F)c1ccccc1 ZINC000540455823 1041477486 /nfs/dbraw/zinc/47/74/86/1041477486.db2.gz CTKQSQDHWRHXTG-SFHVURJKSA-N 1 0 326.415 4.370 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000904445990 1041488607 /nfs/dbraw/zinc/48/86/07/1041488607.db2.gz WBHUBSWJLCSLJU-UHFFFAOYSA-N 1 0 341.499 4.192 20 30 EIEDRO C[N@H+](Cc1ccc[nH]1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000538761977 1041534408 /nfs/dbraw/zinc/53/44/08/1041534408.db2.gz PIUNLRIUCXWQSN-UHFFFAOYSA-N 1 0 331.419 4.097 20 30 EIEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540594067 1041550615 /nfs/dbraw/zinc/55/06/15/1041550615.db2.gz DGMXZECBYKSOJY-UNMCSNQZSA-N 1 0 339.527 4.471 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455919623 1041571402 /nfs/dbraw/zinc/57/14/02/1041571402.db2.gz LILNJKBEZAJQIE-OAQYLSRUSA-N 1 0 349.478 4.456 20 30 EIEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538957152 1041590584 /nfs/dbraw/zinc/59/05/84/1041590584.db2.gz OXGMZCUZKRQOQO-UONOGXRCSA-N 1 0 345.512 4.090 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000540705184 1041605458 /nfs/dbraw/zinc/60/54/58/1041605458.db2.gz CCKFWBAIEDQCCH-YJYMSZOUSA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437091088 1041639212 /nfs/dbraw/zinc/63/92/12/1041639212.db2.gz BZBBWLPVHVBQSJ-DWPFLWSCSA-N 1 0 347.462 4.166 20 30 EIEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)C1 ZINC000437091239 1041639291 /nfs/dbraw/zinc/63/92/91/1041639291.db2.gz QRLKFLBBCJKINO-YFFANZOGSA-N 1 0 327.472 4.058 20 30 EIEDRO C[C@H]1CC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@H](C)C1 ZINC000437097194 1041642376 /nfs/dbraw/zinc/64/23/76/1041642376.db2.gz NOQMSQPYEUCMOW-SSSCAMEASA-N 1 0 327.472 4.058 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H](C)c1ccccc1 ZINC000437099416 1041644458 /nfs/dbraw/zinc/64/44/58/1041644458.db2.gz RKRCKHHUJWJOSV-ZGDXVETISA-N 1 0 349.478 4.425 20 30 EIEDRO CCC1CCC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CC1 ZINC000437113833 1041657052 /nfs/dbraw/zinc/65/70/52/1041657052.db2.gz XOWGBXQWIGQXMV-UHFFFAOYSA-N 1 0 327.472 4.202 20 30 EIEDRO CC[C@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437102496 1041659844 /nfs/dbraw/zinc/65/98/44/1041659844.db2.gz WVUIMQVPOMKYAV-WEOZKBJRSA-N 1 0 327.472 4.202 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)cc1OCCCC#N ZINC000540803278 1041682397 /nfs/dbraw/zinc/68/23/97/1041682397.db2.gz SQKGROHUTLCLDI-RBUKOAKNSA-N 1 0 342.483 4.436 20 30 EIEDRO N#CCC1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000540995181 1041772437 /nfs/dbraw/zinc/77/24/37/1041772437.db2.gz AWKSKKIWKRQXDN-UHFFFAOYSA-N 1 0 345.446 4.263 20 30 EIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000460344487 1041789741 /nfs/dbraw/zinc/78/97/41/1041789741.db2.gz AGZWCPJCTGNOGP-FRFSOERESA-N 1 0 331.460 4.044 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(OC(F)F)c1 ZINC000437425389 1041798585 /nfs/dbraw/zinc/79/85/85/1041798585.db2.gz GRKBMZFRXNMDGJ-MRXNPFEDSA-N 1 0 328.362 4.149 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]CCOc2ccc(C#N)cc2)c2ccsc2S1 ZINC000090107601 1041827904 /nfs/dbraw/zinc/82/79/04/1041827904.db2.gz NFLUCOGIRLLLQS-LRDDRELGSA-N 1 0 330.478 4.214 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000517250946 1041925382 /nfs/dbraw/zinc/92/53/82/1041925382.db2.gz XYJGSEJCEHLFCG-NVBFEUDRSA-N 1 0 342.302 4.069 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c(OC(F)F)c1 ZINC000541614684 1042037702 /nfs/dbraw/zinc/03/77/02/1042037702.db2.gz SLRVHCKDFPWGTI-SFHVURJKSA-N 1 0 342.389 4.271 20 30 EIEDRO CC(C)C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000541629348 1042045266 /nfs/dbraw/zinc/04/52/66/1042045266.db2.gz WOLIVPBBRZTFBX-MRXNPFEDSA-N 1 0 347.528 4.110 20 30 EIEDRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1cc(C#N)cs1 ZINC000151187356 1042080578 /nfs/dbraw/zinc/08/05/78/1042080578.db2.gz XNXWXHBOGDTIKK-LLVKDONJSA-N 1 0 335.270 4.103 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000464656884 1042109924 /nfs/dbraw/zinc/10/99/24/1042109924.db2.gz QGXLSBCSZHHZDI-MSOLQXFVSA-N 1 0 328.500 4.137 20 30 EIEDRO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464765367 1042154346 /nfs/dbraw/zinc/15/43/46/1042154346.db2.gz LKWDZLWADDBQFH-QGZVFWFLSA-N 1 0 338.476 4.051 20 30 EIEDRO CC(C)C[C@@H](CNC(=O)c1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000517713401 1042154496 /nfs/dbraw/zinc/15/44/96/1042154496.db2.gz FBNFYJCTGQBEOF-UTKZUKDTSA-N 1 0 349.478 4.054 20 30 EIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000464764969 1042154504 /nfs/dbraw/zinc/15/45/04/1042154504.db2.gz JDABBUNVXZANTK-KRWDZBQOSA-N 1 0 339.483 4.322 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c(F)c1 ZINC000595876426 1042160385 /nfs/dbraw/zinc/16/03/85/1042160385.db2.gz BWPLMYLAIHIURA-UHFFFAOYSA-N 1 0 334.394 4.138 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccc(C#N)cc1 ZINC000541911742 1042167032 /nfs/dbraw/zinc/16/70/32/1042167032.db2.gz ALVBZDCOFZTJLZ-WWMYMODYSA-N 1 0 325.500 4.252 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000293014472 1042196199 /nfs/dbraw/zinc/19/61/99/1042196199.db2.gz OGXQMRHZPPZUCG-UHFFFAOYSA-N 1 0 332.463 4.227 20 30 EIEDRO Cc1cccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1C ZINC000438468129 1042198918 /nfs/dbraw/zinc/19/89/18/1042198918.db2.gz CLUYFTIBIWINOD-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000383070378 1042216202 /nfs/dbraw/zinc/21/62/02/1042216202.db2.gz LLEXZDVHJRBUEQ-INIZCTEOSA-N 1 0 339.870 4.312 20 30 EIEDRO COc1cccc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000542014069 1042233316 /nfs/dbraw/zinc/23/33/16/1042233316.db2.gz UWXBJOFXIODGHB-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO COc1cccc(C=C2CCN(Cc3cc(C#N)ccc3OC)CC2)c1 ZINC000438587468 1042259499 /nfs/dbraw/zinc/25/94/99/1042259499.db2.gz MFPNOHVWWAZKAH-UHFFFAOYSA-N 1 0 348.446 4.255 20 30 EIEDRO CCc1cnccc1[C@@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000542122417 1042291944 /nfs/dbraw/zinc/29/19/44/1042291944.db2.gz CHQBLBUDHSBKBC-CQSZACIVSA-N 1 0 332.369 4.365 20 30 EIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000542247658 1042357754 /nfs/dbraw/zinc/35/77/54/1042357754.db2.gz FDOMYQLXFHOTMP-YWZLYKJASA-N 1 0 336.435 4.159 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000542268467 1042369561 /nfs/dbraw/zinc/36/95/61/1042369561.db2.gz QXTOMWVACPVWOA-UHFFFAOYSA-N 1 0 340.467 4.159 20 30 EIEDRO N#CCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000542307267 1042380011 /nfs/dbraw/zinc/38/00/11/1042380011.db2.gz OOKMXJDNTXMECO-UHFFFAOYSA-N 1 0 332.806 4.451 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000294953672 1042415040 /nfs/dbraw/zinc/41/50/40/1042415040.db2.gz DHSHZOYOSWTWFQ-GWCFXTLKSA-N 1 0 327.653 4.274 20 30 EIEDRO CC(C)(C)OCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000518266144 1042441165 /nfs/dbraw/zinc/44/11/65/1042441165.db2.gz MQGXPMQITGLUMQ-UHFFFAOYSA-N 1 0 338.451 4.042 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)[C@H](OC)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000518304226 1042458625 /nfs/dbraw/zinc/45/86/25/1042458625.db2.gz GCSMYGHWJONQOS-NQERJWCQSA-N 1 0 338.451 4.384 20 30 EIEDRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271856838 1042461948 /nfs/dbraw/zinc/46/19/48/1042461948.db2.gz YMRNFSQIRAWXHW-UHFFFAOYSA-N 1 0 347.462 4.208 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(C4CC4)cc3F)CC2)cc1 ZINC000491583632 1042472014 /nfs/dbraw/zinc/47/20/14/1042472014.db2.gz LNFPFLQAWZLWNH-UHFFFAOYSA-N 1 0 349.453 4.333 20 30 EIEDRO C#C[C@@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000491745645 1042497192 /nfs/dbraw/zinc/49/71/92/1042497192.db2.gz XXNMGQZBQWVFOT-GOSISDBHSA-N 1 0 346.902 4.031 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc(C#N)c(F)c1 ZINC000271927289 1042524318 /nfs/dbraw/zinc/52/43/18/1042524318.db2.gz JPDFAOHWBSBIGV-CQSZACIVSA-N 1 0 339.414 4.265 20 30 EIEDRO CC(C)[N@H+](CC(=O)Nc1ccccc1SCC#N)C1CCCCC1 ZINC000173280324 1042561855 /nfs/dbraw/zinc/56/18/55/1042561855.db2.gz UJVJPXCQBKOPJZ-UHFFFAOYSA-N 1 0 345.512 4.284 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H](O)c1c(F)cccc1F ZINC000271978881 1042600270 /nfs/dbraw/zinc/60/02/70/1042600270.db2.gz WMHVAEXVYAXJLD-AHYKXKOGSA-N 1 0 348.368 4.138 20 30 EIEDRO N#Cc1ccc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c(Cl)c1 ZINC000439440042 1042626732 /nfs/dbraw/zinc/62/67/32/1042626732.db2.gz PLESFXDGHRQTPE-LJQANCHMSA-N 1 0 340.854 4.045 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000492440167 1042650787 /nfs/dbraw/zinc/65/07/87/1042650787.db2.gz LZEVJEWFSASQAS-UHFFFAOYSA-N 1 0 326.396 4.185 20 30 EIEDRO CC[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCCO1 ZINC000439488329 1042651616 /nfs/dbraw/zinc/65/16/16/1042651616.db2.gz ZBPMHEFJKIPFAF-JOCHJYFZSA-N 1 0 348.490 4.387 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000518769228 1042684034 /nfs/dbraw/zinc/68/40/34/1042684034.db2.gz HWTBLPJOXDAWCY-GHTZIAJQSA-N 1 0 338.426 4.149 20 30 EIEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c1 ZINC000443961238 1042689896 /nfs/dbraw/zinc/68/98/96/1042689896.db2.gz HFUJUKZEKZQCPD-OAHLLOKOSA-N 1 0 335.451 4.141 20 30 EIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000492651072 1042715115 /nfs/dbraw/zinc/71/51/15/1042715115.db2.gz JIZLYCIHCKMUPE-MRXNPFEDSA-N 1 0 341.252 4.310 20 30 EIEDRO Cc1cc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)ccc1C#N ZINC000443992890 1042724123 /nfs/dbraw/zinc/72/41/23/1042724123.db2.gz HUGSPQDLUCFTTE-ICSRJNTNSA-N 1 0 339.508 4.101 20 30 EIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443993218 1042724321 /nfs/dbraw/zinc/72/43/21/1042724321.db2.gz KPEJKCIUHMROGM-YADHBBJMSA-N 1 0 334.463 4.433 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000506671328 1042763503 /nfs/dbraw/zinc/76/35/03/1042763503.db2.gz XLJBOLSKUTYHMQ-UHFFFAOYSA-N 1 0 335.447 4.346 20 30 EIEDRO Fc1ccc(NC2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000439885527 1042801504 /nfs/dbraw/zinc/80/15/04/1042801504.db2.gz ZKSICGPEIMMYHB-UHFFFAOYSA-N 1 0 342.845 4.407 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@@H]3CCc4cc(F)ccc4C3)CC2)cc1 ZINC001168447579 1042817967 /nfs/dbraw/zinc/81/79/67/1042817967.db2.gz XZYFSIDMVJRWSW-JOCHJYFZSA-N 1 0 334.438 4.434 20 30 EIEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)C[C@H](C1)C2 ZINC000715137283 1042848771 /nfs/dbraw/zinc/84/87/71/1042848771.db2.gz OQCAXLPRRWSHFW-FLONXUQKSA-N 1 0 334.504 4.014 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000177914186 1042854651 /nfs/dbraw/zinc/85/46/51/1042854651.db2.gz BYVPUUWQHBUHTQ-INIZCTEOSA-N 1 0 325.283 4.221 20 30 EIEDRO CC(C)[N@H+](CCCC(C)(C)C#N)Cc1cnn(Cc2ccccc2)c1 ZINC001168458142 1042879752 /nfs/dbraw/zinc/87/97/52/1042879752.db2.gz IZAYLGSBLJEPFG-UHFFFAOYSA-N 1 0 338.499 4.472 20 30 EIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(C#N)ccc1Br ZINC000493543916 1042931830 /nfs/dbraw/zinc/93/18/30/1042931830.db2.gz KQLSLKKCHYJEAB-CYBMUJFWSA-N 1 0 349.194 4.387 20 30 EIEDRO CC[N@H+](CCCC#N)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000053134828 1043036715 /nfs/dbraw/zinc/03/67/15/1043036715.db2.gz LLTVPILBCPTVQJ-UHFFFAOYSA-N 1 0 344.480 4.461 20 30 EIEDRO CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000542944978 1043047626 /nfs/dbraw/zinc/04/76/26/1043047626.db2.gz JJABNGXDRJSPMP-UHFFFAOYSA-N 1 0 331.479 4.031 20 30 EIEDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542947239 1043051433 /nfs/dbraw/zinc/05/14/33/1043051433.db2.gz XNQFELMMAJUWTQ-OAHLLOKOSA-N 1 0 330.435 4.118 20 30 EIEDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000075644233 1043068932 /nfs/dbraw/zinc/06/89/32/1043068932.db2.gz CMTDQNBWDNVMKA-LJQANCHMSA-N 1 0 344.418 4.254 20 30 EIEDRO C[C@@H]1C[C@@H](NCC2(C#N)CCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168009041 1043089883 /nfs/dbraw/zinc/08/98/83/1043089883.db2.gz YNIGHYUCOUJOEV-OPVJXMOQSA-N 1 0 325.500 4.102 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000185827306 1043221872 /nfs/dbraw/zinc/22/18/72/1043221872.db2.gz JTCPORZEMKFVCT-AEFFLSMTSA-N 1 0 330.435 4.402 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c(OC(F)F)c1 ZINC000185855621 1043226159 /nfs/dbraw/zinc/22/61/59/1043226159.db2.gz GVKHFNFGILQARN-HIFRSBDPSA-N 1 0 338.398 4.249 20 30 EIEDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)cc1 ZINC000487406435 1043241476 /nfs/dbraw/zinc/24/14/76/1043241476.db2.gz KHVPAHMWSPLDHH-GOSISDBHSA-N 1 0 334.463 4.486 20 30 EIEDRO Cc1c([C@H](C)[NH2+]CCc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000467434854 1043371373 /nfs/dbraw/zinc/37/13/73/1043371373.db2.gz WNMQDGPXCAAZCU-HNNXBMFYSA-N 1 0 348.425 4.085 20 30 EIEDRO C=CCC[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000188911118 1043385866 /nfs/dbraw/zinc/38/58/66/1043385866.db2.gz FOZMYURKUDSJPI-QZTJIDSGSA-N 1 0 342.508 4.217 20 30 EIEDRO Cc1cc([C@H](NCc2cccc(C#N)c2)c2cccnc2)ccc1F ZINC000542481271 1043411991 /nfs/dbraw/zinc/41/19/91/1043411991.db2.gz RMEKRBRGJSGQAH-NRFANRHFSA-N 1 0 331.394 4.280 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000730023979 1043431628 /nfs/dbraw/zinc/43/16/28/1043431628.db2.gz YKSVJPSVTXJJBX-GJZGRUSLSA-N 1 0 330.497 4.365 20 30 EIEDRO CC[C@@]1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)OCCc2ccccc21 ZINC000520900013 1043435963 /nfs/dbraw/zinc/43/59/63/1043435963.db2.gz HZOUFWHKTXSTBW-BTYIYWSLSA-N 1 0 338.426 4.226 20 30 EIEDRO C[C@@H](CCc1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000609195567 1043448653 /nfs/dbraw/zinc/44/86/53/1043448653.db2.gz XFZLAHHASNFSTD-SFHVURJKSA-N 1 0 334.463 4.423 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1c(F)cccc1Cl ZINC000520954454 1043456065 /nfs/dbraw/zinc/45/60/65/1043456065.db2.gz ZLSKOKWDCGYYCO-UHFFFAOYSA-N 1 0 334.847 4.374 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)c1 ZINC000520973246 1043470805 /nfs/dbraw/zinc/47/08/05/1043470805.db2.gz SFHGHWSWCKOWDI-QFIPXVFZSA-N 1 0 328.415 4.468 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000171274120 1043519637 /nfs/dbraw/zinc/51/96/37/1043519637.db2.gz QQVQTILKWVUUEL-UHFFFAOYSA-N 1 0 345.487 4.026 20 30 EIEDRO COc1ccc(O)c(/C=N\Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000730547098 1043555248 /nfs/dbraw/zinc/55/52/48/1043555248.db2.gz NOGLHLDIGGPQFP-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000658036656 1043633496 /nfs/dbraw/zinc/63/34/96/1043633496.db2.gz AASXJMWQSHXXSH-FFSVYQOJSA-N 1 0 347.808 4.471 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000658038151 1043642528 /nfs/dbraw/zinc/64/25/28/1043642528.db2.gz MOZGQSYMHBUDSW-WBIUFABUSA-N 1 0 344.680 4.344 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000521377877 1043734172 /nfs/dbraw/zinc/73/41/72/1043734172.db2.gz WSWWGYVGOWIAII-UHFFFAOYSA-N 1 0 342.389 4.316 20 30 EIEDRO C[NH+](C)[C@H](CNc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000078835425 1043795338 /nfs/dbraw/zinc/79/53/38/1043795338.db2.gz BELUXZQIPWWCCE-QGZVFWFLSA-N 1 0 333.357 4.292 20 30 EIEDRO Cc1cccc([C@@H](C)[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000439016597 1043816066 /nfs/dbraw/zinc/81/60/66/1043816066.db2.gz DLEJAQYYZXIXGE-QGZVFWFLSA-N 1 0 347.462 4.278 20 30 EIEDRO CC#CCC[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191509451 1043822498 /nfs/dbraw/zinc/82/24/98/1043822498.db2.gz UTWURMGKFPTFIB-UHFFFAOYSA-N 1 0 340.492 4.412 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)C1 ZINC000442720702 1043822879 /nfs/dbraw/zinc/82/28/79/1043822879.db2.gz UDYBCLDZPYWPOP-CTNGQTDRSA-N 1 0 331.463 4.031 20 30 EIEDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191590475 1043829633 /nfs/dbraw/zinc/82/96/33/1043829633.db2.gz PHGRXGXNLRGFNN-OAQYLSRUSA-N 1 0 348.490 4.122 20 30 EIEDRO COc1ccc(C2(C[NH2+][C@@H]3CC[C@@H](C#N)C3)CCCCC2)cc1OC ZINC000442797733 1043844698 /nfs/dbraw/zinc/84/46/98/1043844698.db2.gz XLHYYFMBKVYOEW-SJLPKXTDSA-N 1 0 342.483 4.188 20 30 EIEDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000494622081 1043859217 /nfs/dbraw/zinc/85/92/17/1043859217.db2.gz SQXBIROJBAIBRV-BEFAXECRSA-N 1 0 347.380 4.423 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000442869875 1043870708 /nfs/dbraw/zinc/87/07/08/1043870708.db2.gz QAXQVILYCQVCGQ-SEEARECTSA-N 1 0 337.389 4.397 20 30 EIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1OC ZINC000442870723 1043871179 /nfs/dbraw/zinc/87/11/79/1043871179.db2.gz VPBPYDMNRILGEP-NUWOQIAWSA-N 1 0 330.472 4.115 20 30 EIEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)Sc1ccc(Br)cc1 ZINC000442872964 1043871430 /nfs/dbraw/zinc/87/14/30/1043871430.db2.gz OGWWBRIWNFFTGX-YRGRVCCFSA-N 1 0 339.302 4.212 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1O ZINC000732180663 1043882430 /nfs/dbraw/zinc/88/24/30/1043882430.db2.gz CWQPTRBRDUYJJQ-INIZCTEOSA-N 1 0 327.424 4.102 20 30 EIEDRO Cc1ccc(C[C@H]([NH2+]Cc2cccc(C#N)c2)c2ccccn2)cc1 ZINC000115627541 1043968394 /nfs/dbraw/zinc/96/83/94/1043968394.db2.gz APIJCTZVWPANQN-QFIPXVFZSA-N 1 0 327.431 4.335 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)c1 ZINC000521862163 1044035521 /nfs/dbraw/zinc/03/55/21/1044035521.db2.gz QNIKDQOLQBKSIU-LJQANCHMSA-N 1 0 337.442 4.073 20 30 EIEDRO Oc1cccc(/C=N/Cc2ccccc2C[NH+]2CCCCCC2)c1O ZINC000732926653 1044037944 /nfs/dbraw/zinc/03/79/44/1044037944.db2.gz QQMVOTJUOVUNPA-PXLXIMEGSA-N 1 0 338.451 4.093 20 30 EIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1OC ZINC000543183509 1044062551 /nfs/dbraw/zinc/06/25/51/1044062551.db2.gz RVWRRUCMZZNVKP-INIZCTEOSA-N 1 0 338.451 4.401 20 30 EIEDRO C[N@H+](CCOc1cc(Cl)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000195542647 1044097936 /nfs/dbraw/zinc/09/79/36/1044097936.db2.gz ZDMRQFYLTMMUDA-UHFFFAOYSA-N 1 0 335.234 4.376 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)cc1 ZINC000733322711 1044182437 /nfs/dbraw/zinc/18/24/37/1044182437.db2.gz SGFRELQAYGTWJT-OAHLLOKOSA-N 1 0 335.403 4.304 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000173849667 1044182949 /nfs/dbraw/zinc/18/29/49/1044182949.db2.gz WLEHKYYAOOVNSF-AWEZNQCLSA-N 1 0 348.368 4.488 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2c(OC)ccc3ccccc32)cc1 ZINC000733322218 1044184840 /nfs/dbraw/zinc/18/48/40/1044184840.db2.gz CVBFZVDNXNSONY-UHFFFAOYSA-N 1 0 331.415 4.150 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000245881460 1044196818 /nfs/dbraw/zinc/19/68/18/1044196818.db2.gz KWAGRJQXPBTGID-QKYXUNIQSA-N 1 0 339.508 4.353 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000174265330 1044244784 /nfs/dbraw/zinc/24/47/84/1044244784.db2.gz BIHUBZZMRBBKFP-LLVKDONJSA-N 1 0 338.304 4.447 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(N(C)C)cc1 ZINC000733610163 1044269326 /nfs/dbraw/zinc/26/93/26/1044269326.db2.gz ONZURQZBQIDKQW-UHFFFAOYSA-N 1 0 337.467 4.066 20 30 EIEDRO CSc1ccc([C@H](CNc2nc(C)cc(C)c2C#N)[NH+](C)C)cc1 ZINC000338834995 1044311131 /nfs/dbraw/zinc/31/11/31/1044311131.db2.gz GIHYQGKCYMJJLD-SFHVURJKSA-N 1 0 340.496 4.007 20 30 EIEDRO CSc1ccc([C@@H](CNc2nc(C)cc(C)c2C#N)[NH+](C)C)cc1 ZINC000338834985 1044311437 /nfs/dbraw/zinc/31/14/37/1044311437.db2.gz GIHYQGKCYMJJLD-GOSISDBHSA-N 1 0 340.496 4.007 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cccc4cccnc43)CC2)cc1 ZINC000347941831 1044332310 /nfs/dbraw/zinc/33/23/10/1044332310.db2.gz CRXPFKFQGLSCTA-UHFFFAOYSA-N 1 0 325.415 4.396 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000466400732 1044391639 /nfs/dbraw/zinc/39/16/39/1044391639.db2.gz WMZJHGVJQSHBKG-AWEZNQCLSA-N 1 0 332.469 4.175 20 30 EIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2ncnc3sccc32)CC1 ZINC000733907432 1044416903 /nfs/dbraw/zinc/41/69/03/1044416903.db2.gz PRUBYXBCWSRASL-BBRMVZONSA-N 1 0 343.500 4.134 20 30 EIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2ncnc3sccc32)CC1 ZINC000733907439 1044418626 /nfs/dbraw/zinc/41/86/26/1044418626.db2.gz PRUBYXBCWSRASL-XJKSGUPXSA-N 1 0 343.500 4.134 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)CCCC(F)(F)F)cc(OC)c1O ZINC000494846304 1044442265 /nfs/dbraw/zinc/44/22/65/1044442265.db2.gz QBIFGIHUINTCMJ-LBPRGKRZSA-N 1 0 331.378 4.340 20 30 EIEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474096879 1044477837 /nfs/dbraw/zinc/47/78/37/1044477837.db2.gz KLIUEWJOLPZWHF-SMDDNHRTSA-N 1 0 327.255 4.043 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000734159459 1044505576 /nfs/dbraw/zinc/50/55/76/1044505576.db2.gz OLTMAPICJPRJLG-UHFFFAOYSA-N 1 0 345.389 4.207 20 30 EIEDRO C=CC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000494922192 1044519396 /nfs/dbraw/zinc/51/93/96/1044519396.db2.gz OAFBYQAFHCSSCW-FGZHOGPDSA-N 1 0 348.490 4.300 20 30 EIEDRO C[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1C(C)(C)C#N ZINC000487432916 1044525827 /nfs/dbraw/zinc/52/58/27/1044525827.db2.gz TZHMJKGTYPRPJT-UHFFFAOYSA-N 1 0 326.415 4.138 20 30 EIEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000766209178 1044535119 /nfs/dbraw/zinc/53/51/19/1044535119.db2.gz HWYHLHGDGLWBJV-AWEZNQCLSA-N 1 0 344.842 4.011 20 30 EIEDRO C#CC[C@H]([NH2+]CCOc1ccccc1Br)c1ccccc1 ZINC001168724479 1044602643 /nfs/dbraw/zinc/60/26/43/1044602643.db2.gz WZVVBZIRVHQNSJ-KRWDZBQOSA-N 1 0 344.252 4.182 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000495063583 1044630882 /nfs/dbraw/zinc/63/08/82/1044630882.db2.gz HCSXDUGGASJBAR-IFXJQAMLSA-N 1 0 333.834 4.343 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000495063581 1044631791 /nfs/dbraw/zinc/63/17/91/1044631791.db2.gz HCSXDUGGASJBAR-AUUYWEPGSA-N 1 0 333.834 4.343 20 30 EIEDRO N#Cc1ccc(F)c(CN2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000443660286 1044653555 /nfs/dbraw/zinc/65/35/55/1044653555.db2.gz QWMOVVBYKULRQQ-HNNXBMFYSA-N 1 0 330.790 4.004 20 30 EIEDRO COc1cccc(NC2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000118399495 1044666485 /nfs/dbraw/zinc/66/64/85/1044666485.db2.gz XFNPUQURXHJCFE-MRXNPFEDSA-N 1 0 335.451 4.204 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N\CCC[N@@H+]1CCc2ccccc2C1 ZINC000914701695 1044680529 /nfs/dbraw/zinc/68/05/29/1044680529.db2.gz MTLPONLWOSTXTN-JLPGSUDCSA-N 1 0 344.458 4.413 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@]2(C)CCCc3ccccc32)cc1 ZINC000734844111 1044698676 /nfs/dbraw/zinc/69/86/76/1044698676.db2.gz UVGDFPKJAYCBSS-QFIPXVFZSA-N 1 0 333.479 4.378 20 30 EIEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000130339111 1044708711 /nfs/dbraw/zinc/70/87/11/1044708711.db2.gz YXSWWFWWEPCYLI-UHFFFAOYSA-N 1 0 339.464 4.007 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000474194424 1044778208 /nfs/dbraw/zinc/77/82/08/1044778208.db2.gz ODXLKFWJKUAEQB-DOTOQJQBSA-N 1 0 342.405 4.027 20 30 EIEDRO Cc1ccc(OCC[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735306274 1044791942 /nfs/dbraw/zinc/79/19/42/1044791942.db2.gz LKOTVZNATOBGOU-UHFFFAOYSA-N 1 0 344.842 4.062 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@H+](CCc1ccccc1)C1CC1 ZINC000735309743 1044796736 /nfs/dbraw/zinc/79/67/36/1044796736.db2.gz KZGRXCQIZVCQCB-UHFFFAOYSA-N 1 0 340.854 4.449 20 30 EIEDRO CC(C)C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)(C)C ZINC000474226347 1044802281 /nfs/dbraw/zinc/80/22/81/1044802281.db2.gz AEQQLDWLCOFJIX-UHFFFAOYSA-N 1 0 326.444 4.112 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cccc(Cl)c3)CC2)nc1 ZINC000092854252 1044804996 /nfs/dbraw/zinc/80/49/96/1044804996.db2.gz PUJGYVCESRQNMO-UHFFFAOYSA-N 1 0 341.842 4.086 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000922543730 1044810350 /nfs/dbraw/zinc/81/03/50/1044810350.db2.gz SCAQRCHKMQYEIO-CQSZACIVSA-N 1 0 342.395 4.019 20 30 EIEDRO CC(C)c1nc(C#N)c(N=NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)o1 ZINC000733901149 1044818431 /nfs/dbraw/zinc/81/84/31/1044818431.db2.gz DZXSRVSDTXMFLB-WMLDXEAASA-N 1 0 343.475 4.112 20 30 EIEDRO C=C[C@](C)(CC)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000474244370 1044820100 /nfs/dbraw/zinc/82/01/00/1044820100.db2.gz HQQOSFBSVDCBKL-KCZVDYSFSA-N 1 0 340.511 4.102 20 30 EIEDRO CCc1nc2ccccc2n1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000093299790 1044830280 /nfs/dbraw/zinc/83/02/80/1044830280.db2.gz MDHMTVFIOABYSN-UHFFFAOYSA-N 1 0 344.462 4.307 20 30 EIEDRO C=CCCC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000895636847 1044835196 /nfs/dbraw/zinc/83/51/96/1044835196.db2.gz AMGYNLRSDPRMNH-FAFZWHIHSA-N 1 0 340.427 4.182 20 30 EIEDRO CCC[N@H+](CCC(=O)c1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000509259961 1044865175 /nfs/dbraw/zinc/86/51/75/1044865175.db2.gz KEUSJFOLVZKQBP-UHFFFAOYSA-N 1 0 336.435 4.052 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000625770348 1044868362 /nfs/dbraw/zinc/86/83/62/1044868362.db2.gz VESRIRMZVGJCNJ-UHFFFAOYSA-N 1 0 333.300 4.058 20 30 EIEDRO CC(C)(C#N)c1ccccc1CN1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428940987 1044880280 /nfs/dbraw/zinc/88/02/80/1044880280.db2.gz STHQFXSPQOLGDP-OAHLLOKOSA-N 1 0 340.389 4.029 20 30 EIEDRO CCOc1cccc(C[NH2+]Cc2ccc(C)c(C#N)c2)c1OC(F)F ZINC000922763829 1044932279 /nfs/dbraw/zinc/93/22/79/1044932279.db2.gz YUXATVOOYZXCSP-UHFFFAOYSA-N 1 0 346.377 4.157 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3[C@H](c4ccccc4)C3(F)F)cc2)CC1 ZINC000922773156 1044940825 /nfs/dbraw/zinc/94/08/25/1044940825.db2.gz SWTWMLFJOZCETR-OALUTQOASA-N 1 0 338.401 4.380 20 30 EIEDRO N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000125174264 1044957282 /nfs/dbraw/zinc/95/72/82/1044957282.db2.gz RFBHISLOADKQGW-HNNXBMFYSA-N 1 0 337.389 4.032 20 30 EIEDRO C[C@H](CF)[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000673619466 1044974010 /nfs/dbraw/zinc/97/40/10/1044974010.db2.gz GNPYPHCOODACOG-LDYMZIIASA-N 1 0 333.247 4.006 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)c1 ZINC000673618983 1044977913 /nfs/dbraw/zinc/97/79/13/1044977913.db2.gz NKZASUFXDOHRFZ-INIZCTEOSA-N 1 0 341.451 4.428 20 30 EIEDRO CO[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000282539647 1045016860 /nfs/dbraw/zinc/01/68/60/1045016860.db2.gz ZPMVWHWXBOIBAX-SIKLNZKXSA-N 1 0 348.490 4.386 20 30 EIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000474479317 1045020516 /nfs/dbraw/zinc/02/05/16/1045020516.db2.gz NWTSXJNSNUJNDQ-BZUAXINKSA-N 1 0 338.451 4.418 20 30 EIEDRO C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073767142 1045020764 /nfs/dbraw/zinc/02/07/64/1045020764.db2.gz FZXJFKCOYPELQR-YWZLYKJASA-N 1 0 334.423 4.027 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCc3cccnc32)ccc1OC ZINC000922882833 1045022410 /nfs/dbraw/zinc/02/24/10/1045022410.db2.gz PTZHCEXJJPKIPS-GOSISDBHSA-N 1 0 338.451 4.212 20 30 EIEDRO C[C@@H]([NH2+]CCNc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000495395742 1045049734 /nfs/dbraw/zinc/04/97/34/1045049734.db2.gz HTPCBWJKDBEZOW-CYBMUJFWSA-N 1 0 344.256 4.083 20 30 EIEDRO CC1(C)C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C(C)(C)O1 ZINC000495420705 1045090215 /nfs/dbraw/zinc/09/02/15/1045090215.db2.gz KLPJNDGMUQISFJ-WBTXTPOCSA-N 1 0 326.484 4.326 20 30 EIEDRO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000161879223 1045175522 /nfs/dbraw/zinc/17/55/22/1045175522.db2.gz YFKVUVGPIWTJEX-PBHICJAKSA-N 1 0 349.400 4.030 20 30 EIEDRO C=CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000766018917 1045202084 /nfs/dbraw/zinc/20/20/84/1045202084.db2.gz JRFOMBQIYAUZKB-COPCDDAFSA-N 1 0 335.495 4.342 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccncc1 ZINC000766019938 1045221333 /nfs/dbraw/zinc/22/13/33/1045221333.db2.gz NWOKINKZZZMNEM-KBXCAEBGSA-N 1 0 339.439 4.017 20 30 EIEDRO CCCC[C@H](CC)C[N@@H+]1CCCC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001272610758 1045221549 /nfs/dbraw/zinc/22/15/49/1045221549.db2.gz LNOCILCJKLDPIN-OALUTQOASA-N 1 0 347.547 4.067 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccncc1 ZINC000766019949 1045228705 /nfs/dbraw/zinc/22/87/05/1045228705.db2.gz NWOKINKZZZMNEM-RDTXWAMCSA-N 1 0 339.439 4.017 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccncc1 ZINC000766021982 1045237212 /nfs/dbraw/zinc/23/72/12/1045237212.db2.gz VRBRHLNIIASJIG-JXFKEZNVSA-N 1 0 335.451 4.176 20 30 EIEDRO CCC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000740888617 1045239215 /nfs/dbraw/zinc/23/92/15/1045239215.db2.gz RYVWGKCBTUSZKU-RTBURBONSA-N 1 0 330.472 4.005 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@H]1OCCc2sccc21 ZINC000429120895 1045248551 /nfs/dbraw/zinc/24/85/51/1045248551.db2.gz IVXFFGZKDQULFP-FZKQIMNGSA-N 1 0 331.868 4.045 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)[C@@H]1OCCc2sccc21 ZINC000429122724 1045256860 /nfs/dbraw/zinc/25/68/60/1045256860.db2.gz QVELOFWICFMOOT-ACJLOTCBSA-N 1 0 331.868 4.045 20 30 EIEDRO N#Cc1ccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1 ZINC000737414405 1045262434 /nfs/dbraw/zinc/26/24/34/1045262434.db2.gz ITZPULVHVJPMHK-UHFFFAOYSA-N 1 0 327.431 4.034 20 30 EIEDRO CC(C)(CCC#N)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000611252748 1045265441 /nfs/dbraw/zinc/26/54/41/1045265441.db2.gz ALZYVDKJDVOIJX-UHFFFAOYSA-N 1 0 328.456 4.490 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000611265347 1045268519 /nfs/dbraw/zinc/26/85/19/1045268519.db2.gz AEGTYDOGAZIQRY-NRFANRHFSA-N 1 0 336.435 4.412 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)c(C)n1 ZINC000611299829 1045278229 /nfs/dbraw/zinc/27/82/29/1045278229.db2.gz KYVUNCNLBDTJMT-HNNXBMFYSA-N 1 0 325.481 4.154 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2OCCc3ccccc32)CC1 ZINC000611335800 1045281590 /nfs/dbraw/zinc/28/15/90/1045281590.db2.gz NEZDTZQJEBCAKW-GTMAMOSYSA-N 1 0 346.474 4.294 20 30 EIEDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611390441 1045292820 /nfs/dbraw/zinc/29/28/20/1045292820.db2.gz APWVNHLZHKSRGV-OAQYLSRUSA-N 1 0 347.462 4.464 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000611386657 1045294952 /nfs/dbraw/zinc/29/49/52/1045294952.db2.gz QRPSOGJSZNXPAT-ZDUSSCGKSA-N 1 0 334.341 4.350 20 30 EIEDRO Cc1cccc2oc(CC[NH2+][C@@H]3CCCc4cc(C#N)ccc43)nc21 ZINC000611393414 1045297209 /nfs/dbraw/zinc/29/72/09/1045297209.db2.gz FQMQTEOEAHQWIV-GOSISDBHSA-N 1 0 331.419 4.218 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000611392623 1045299015 /nfs/dbraw/zinc/29/90/15/1045299015.db2.gz ZDNMRSLLJRRPSZ-VQTJNVASSA-N 1 0 337.467 4.201 20 30 EIEDRO C[C@H](O)C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611393924 1045299134 /nfs/dbraw/zinc/29/91/34/1045299134.db2.gz STRVBFKPYYJKLL-BUKVSMQUSA-N 1 0 334.463 4.080 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1cccc(C#N)c1 ZINC000611439348 1045308072 /nfs/dbraw/zinc/30/80/72/1045308072.db2.gz YKNWXEPTDJBSBF-HNNXBMFYSA-N 1 0 336.435 4.364 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Sc3ccccc3)cc2)nc1 ZINC000780555088 1045501948 /nfs/dbraw/zinc/50/19/48/1045501948.db2.gz NLZBGLMQNDYMMP-UHFFFAOYSA-N 1 0 331.444 4.394 20 30 EIEDRO CC[C@@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000897518601 1045524383 /nfs/dbraw/zinc/52/43/83/1045524383.db2.gz JKYFLUSFZZQXRB-QGZVFWFLSA-N 1 0 342.405 4.061 20 30 EIEDRO Cc1cc(C[NH2+][C@H](C)[C@H](O)c2c(Cl)cccc2Cl)ccc1C#N ZINC000767688380 1045611171 /nfs/dbraw/zinc/61/11/71/1045611171.db2.gz CVDGUGWWEZPDNM-XIKOKIGWSA-N 1 0 349.261 4.385 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)cc1F ZINC000767886766 1045661877 /nfs/dbraw/zinc/66/18/77/1045661877.db2.gz AKYLRNSOSGTVSA-UHFFFAOYSA-N 1 0 326.415 4.267 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cncc(Br)c1 ZINC000194276509 1045698731 /nfs/dbraw/zinc/69/87/31/1045698731.db2.gz QWBAPUJDYHDIOQ-UHFFFAOYSA-N 1 0 344.256 4.128 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)CCOc2ccccc2Cl)cc1 ZINC000768212523 1045754515 /nfs/dbraw/zinc/75/45/15/1045754515.db2.gz KZASNRXJSMAOJN-OAHLLOKOSA-N 1 0 344.842 4.142 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000791570135 1045758547 /nfs/dbraw/zinc/75/85/47/1045758547.db2.gz ZFXHXQQUISVJOM-UHFFFAOYSA-N 1 0 335.403 4.077 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1 ZINC000768235000 1045758931 /nfs/dbraw/zinc/75/89/31/1045758931.db2.gz UYKVSMIFCRVEOB-JOCHJYFZSA-N 1 0 337.463 4.197 20 30 EIEDRO C#CCCCCCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000780643666 1045778029 /nfs/dbraw/zinc/77/80/29/1045778029.db2.gz GVZUWYUZWISHQT-LJQANCHMSA-N 1 0 332.532 4.073 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+]CC2(c3ccccc3)CCCCC2)cc1 ZINC000763233649 1045787518 /nfs/dbraw/zinc/78/75/18/1045787518.db2.gz ZTANQQOBVOWDDM-NRFANRHFSA-N 1 0 334.463 4.083 20 30 EIEDRO CC(C)[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000763234657 1045788415 /nfs/dbraw/zinc/78/84/15/1045788415.db2.gz RJTSHIQXSXKGBM-RBUKOAKNSA-N 1 0 328.843 4.232 20 30 EIEDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768407832 1045802956 /nfs/dbraw/zinc/80/29/56/1045802956.db2.gz RRRFDKBSVPXKBY-OHESCVLLSA-N 1 0 338.451 4.085 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(OCC2CC2)c(F)c1 ZINC000153381956 1045808029 /nfs/dbraw/zinc/80/80/29/1045808029.db2.gz MLCOVSMMEXLSSB-GFCCVEGCSA-N 1 0 330.428 4.398 20 30 EIEDRO C[C@@H](C#N)Oc1ccccc1N[C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768519681 1045813938 /nfs/dbraw/zinc/81/39/38/1045813938.db2.gz VTDHTODISHHUGF-HBFSDRIKSA-N 1 0 349.478 4.300 20 30 EIEDRO C[C@@H](C#N)Oc1ccccc1N[C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768519683 1045814629 /nfs/dbraw/zinc/81/46/29/1045814629.db2.gz VTDHTODISHHUGF-WSTZPKSXSA-N 1 0 349.478 4.300 20 30 EIEDRO CCOc1ccc(C2=CC[N@H+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000768776903 1045840971 /nfs/dbraw/zinc/84/09/71/1045840971.db2.gz IDIMKPSSQBEVHH-UHFFFAOYSA-N 1 0 348.446 4.277 20 30 EIEDRO Cc1ccccc1C[NH+]1CCC(/N=C\c2cc(Cl)ccc2O)CC1 ZINC000915983076 1045854747 /nfs/dbraw/zinc/85/47/47/1045854747.db2.gz PAKQNBXLZPNNHM-XKZIYDEJSA-N 1 0 342.870 4.438 20 30 EIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H](C)Cc1ccccc1Cl)C2 ZINC001170285186 1045987797 /nfs/dbraw/zinc/98/77/97/1045987797.db2.gz RCNHXYDYWYUFTJ-KPFFTGBYSA-N 1 0 349.902 4.097 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)cc1 ZINC000769499990 1045996986 /nfs/dbraw/zinc/99/69/86/1045996986.db2.gz ULYFJMYFIMTZGW-LVCYWYKZSA-N 1 0 334.463 4.431 20 30 EIEDRO CCCN(CCC)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359832 1046012787 /nfs/dbraw/zinc/01/27/87/1046012787.db2.gz IQNZHLRZCZTGMU-UHFFFAOYSA-N 1 0 327.516 4.102 20 30 EIEDRO Cn1c2ccccc2nc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359810 1046013099 /nfs/dbraw/zinc/01/30/99/1046013099.db2.gz HAZPAUDHGIKBCT-UHFFFAOYSA-N 1 0 344.462 4.067 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccnc2Cl)CC1 ZINC001170359012 1046014339 /nfs/dbraw/zinc/01/43/39/1046014339.db2.gz MAJCAQKZLZLADU-UHFFFAOYSA-N 1 0 325.843 4.229 20 30 EIEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(O)cc1 ZINC001170368013 1046017539 /nfs/dbraw/zinc/01/75/39/1046017539.db2.gz LVRPVCGZPOCVNQ-FEPNQTLGSA-N 1 0 334.463 4.489 20 30 EIEDRO CO[C@H]1C[C@@H]([NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)C1(C)C ZINC001170384561 1046023877 /nfs/dbraw/zinc/02/38/77/1046023877.db2.gz CRRPKWKEXKSYLQ-RTWAWAEBSA-N 1 0 348.490 4.289 20 30 EIEDRO Cc1nc2c(s1)C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170389227 1046026978 /nfs/dbraw/zinc/02/69/78/1046026978.db2.gz NLLRXYQNZHVJEP-UHFFFAOYSA-N 1 0 337.492 4.214 20 30 EIEDRO CC(C)[N@H+](C1CCOCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397689 1046030577 /nfs/dbraw/zinc/03/05/77/1046030577.db2.gz GFJBOUHCTOKKJH-UHFFFAOYSA-N 1 0 326.484 4.280 20 30 EIEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000769767653 1046059721 /nfs/dbraw/zinc/05/97/21/1046059721.db2.gz ZRGFVRRKAQRAAU-HOTGVXAUSA-N 1 0 337.508 4.036 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792876051 1046088832 /nfs/dbraw/zinc/08/88/32/1046088832.db2.gz KMSNYKVZXUIHDJ-QGZVFWFLSA-N 1 0 341.367 4.300 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000792984905 1046119526 /nfs/dbraw/zinc/11/95/26/1046119526.db2.gz HPVNARUDRUKHOT-FCEWJHQRSA-N 1 0 340.467 4.498 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000792984907 1046119663 /nfs/dbraw/zinc/11/96/63/1046119663.db2.gz HPVNARUDRUKHOT-GJYPPUQNSA-N 1 0 340.467 4.498 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000770000274 1046126132 /nfs/dbraw/zinc/12/61/32/1046126132.db2.gz AVVCPUISESOAML-WOJBJXKFSA-N 1 0 340.854 4.472 20 30 EIEDRO CC(C)(C)c1ccc(N2CCC([NH2+][C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000770002122 1046127668 /nfs/dbraw/zinc/12/76/68/1046127668.db2.gz JMXICIBZSPFOON-LPHOPBHVSA-N 1 0 325.500 4.235 20 30 EIEDRO CCCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C)o1 ZINC000763407067 1046134522 /nfs/dbraw/zinc/13/45/22/1046134522.db2.gz MIEBYOPHNQRLNR-QFBILLFUSA-N 1 0 326.440 4.356 20 30 EIEDRO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763405605 1046134679 /nfs/dbraw/zinc/13/46/79/1046134679.db2.gz DNUUKPJGSHGJMR-QHCPKHFHSA-N 1 0 342.442 4.391 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cc(OC)ccc1OCOC ZINC000793227360 1046175585 /nfs/dbraw/zinc/17/55/85/1046175585.db2.gz RVYZVXJPQFBBKN-UHFFFAOYSA-N 1 0 341.451 4.256 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(C#N)c(C)c4)C3)nc2c1 ZINC000488164013 1046177690 /nfs/dbraw/zinc/17/76/90/1046177690.db2.gz PZKZYMHKZABWIZ-IBGZPJMESA-N 1 0 344.462 4.431 20 30 EIEDRO C#CCCOc1ccc(CNc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000793340803 1046201163 /nfs/dbraw/zinc/20/11/63/1046201163.db2.gz ZNDYRRSRJKSUOO-UHFFFAOYSA-N 1 0 342.870 4.416 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(F)(F)CC2)c1 ZINC000793360134 1046216136 /nfs/dbraw/zinc/21/61/36/1046216136.db2.gz QNXWMMGPXZOOKL-UHFFFAOYSA-N 1 0 342.389 4.368 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)s1 ZINC000124955133 1046275233 /nfs/dbraw/zinc/27/52/33/1046275233.db2.gz VBEJXHYHIITJKA-UHFFFAOYSA-N 1 0 326.465 4.049 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000793564673 1046294529 /nfs/dbraw/zinc/29/45/29/1046294529.db2.gz JBAKCLHBPOLXBQ-CVEARBPZSA-N 1 0 327.476 4.351 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000793619669 1046316618 /nfs/dbraw/zinc/31/66/18/1046316618.db2.gz JRMDPODMWQZQON-UHFFFAOYSA-N 1 0 331.463 4.326 20 30 EIEDRO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1CCC(C#N)CC1 ZINC000497189447 1046384113 /nfs/dbraw/zinc/38/41/13/1046384113.db2.gz GYQLKVJXMMTIJP-FCCDEINASA-N 1 0 349.519 4.084 20 30 EIEDRO C=CCC[C@@H](NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000273385200 1046398856 /nfs/dbraw/zinc/39/88/56/1046398856.db2.gz CCZLVZXNDOOGPC-YLJYHZDGSA-N 1 0 343.515 4.066 20 30 EIEDRO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3coc4ccccc34)cc2)CC1 ZINC000771528916 1046438328 /nfs/dbraw/zinc/43/83/28/1046438328.db2.gz PGUIFUQTXOUVAG-DHZHZOJOSA-N 1 0 346.430 4.081 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNc1nc(Cl)c(C#N)s1)c1ccccc1 ZINC000804429562 1046490183 /nfs/dbraw/zinc/49/01/83/1046490183.db2.gz MCDLPNZPDDUNNC-LLVKDONJSA-N 1 0 334.876 4.209 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000917000939 1046550229 /nfs/dbraw/zinc/55/02/29/1046550229.db2.gz DMAFWILKNZTTAT-GOSISDBHSA-N 1 0 335.369 4.427 20 30 EIEDRO N#Cc1sc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)nc1Cl ZINC000804499245 1046556852 /nfs/dbraw/zinc/55/68/52/1046556852.db2.gz ATZLVLJLKQUBJX-CQSZACIVSA-N 1 0 346.887 4.307 20 30 EIEDRO C=CCn1c(SCC[C@@H]2CCC[N@H+]2C)nnc1-c1ccc(C)cc1 ZINC000533884097 1046587993 /nfs/dbraw/zinc/58/79/93/1046587993.db2.gz HJUXFMWGAHACJB-KRWDZBQOSA-N 1 0 342.512 4.016 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1c[nH]nc1-c1ccccc1 ZINC000536664627 1046636047 /nfs/dbraw/zinc/63/60/47/1046636047.db2.gz RJJYJXIRRAUGTJ-NHCUHLMSSA-N 1 0 342.446 4.348 20 30 EIEDRO N#C[C@H]1CCC[C@@H]1[NH2+]CCSc1ccnc2cc(Cl)ccc21 ZINC000459457361 1046695065 /nfs/dbraw/zinc/69/50/65/1046695065.db2.gz GTAXRVYMKSCFCY-DOMZBBRYSA-N 1 0 331.872 4.262 20 30 EIEDRO N#Cc1cccc(OCC[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000917095586 1046705602 /nfs/dbraw/zinc/70/56/02/1046705602.db2.gz NHUULQUAXNAJMS-UHFFFAOYSA-N 1 0 343.430 4.208 20 30 EIEDRO N#CCCn1cc(C[NH+]2CC(C3CCCC3)C2)c(-c2ccccc2)n1 ZINC000459616874 1046809937 /nfs/dbraw/zinc/80/99/37/1046809937.db2.gz QNSHGEUNDCAZLM-UHFFFAOYSA-N 1 0 334.467 4.086 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000536832491 1046824243 /nfs/dbraw/zinc/82/42/43/1046824243.db2.gz JITHIZDNDIMGHR-XUVXKRRUSA-N 1 0 326.488 4.289 20 30 EIEDRO COc1ccccc1C[C@@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000536874885 1046837267 /nfs/dbraw/zinc/83/72/67/1046837267.db2.gz DEDOMZYLTSIRJF-OAHLLOKOSA-N 1 0 347.380 4.286 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000459683516 1046841162 /nfs/dbraw/zinc/84/11/62/1046841162.db2.gz BBLDVTXDQCQHHM-UHFFFAOYSA-N 1 0 332.245 4.027 20 30 EIEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459692922 1046858762 /nfs/dbraw/zinc/85/87/62/1046858762.db2.gz IIKVXSINRLZTLB-PMACEKPBSA-N 1 0 326.484 4.355 20 30 EIEDRO C=CCc1cc(CNc2ccc(C[NH+](C)C)c(C)c2)cc(OC)c1O ZINC000459735809 1046866934 /nfs/dbraw/zinc/86/69/34/1046866934.db2.gz FERDWIXSOSCXGV-UHFFFAOYSA-N 1 0 340.467 4.111 20 30 EIEDRO C=CCCC[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000537037657 1046906464 /nfs/dbraw/zinc/90/64/64/1046906464.db2.gz STKRVBREEDMZFL-INIZCTEOSA-N 1 0 334.891 4.233 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1F ZINC000537048497 1046916137 /nfs/dbraw/zinc/91/61/37/1046916137.db2.gz LEOBJJKCCLBTEO-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO CC[C@@H]1C[C@@H]([NH+]2CCC(C#N)CC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170485786 1046962891 /nfs/dbraw/zinc/96/28/91/1046962891.db2.gz YYIYAYUHKDLCLX-BCDXTJNWSA-N 1 0 349.519 4.179 20 30 EIEDRO C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000537114270 1046964068 /nfs/dbraw/zinc/96/40/68/1046964068.db2.gz HXGBARXIWQJIDZ-LBPRGKRZSA-N 1 0 329.271 4.069 20 30 EIEDRO COc1ccccc1[C@H](C/N=C/c1ccccc1O)[NH+]1CCCCC1 ZINC000917559291 1046971553 /nfs/dbraw/zinc/97/15/53/1046971553.db2.gz KEXRDBODXVLNPR-OMNSNBSWSA-N 1 0 338.451 4.047 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+](C2C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001170491479 1047048591 /nfs/dbraw/zinc/04/85/91/1047048591.db2.gz JUUXZVAVAVPYAI-SQNIBIBYSA-N 1 0 348.531 4.288 20 30 EIEDRO COc1ccc([C@@H]([NH2+]CCCOc2cccc(C#N)c2)C2CC2)cc1 ZINC000537290715 1047073949 /nfs/dbraw/zinc/07/39/49/1047073949.db2.gz JDVOEBZWLYWMQC-NRFANRHFSA-N 1 0 336.435 4.077 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1cccc(C#N)c1 ZINC000537292321 1047076408 /nfs/dbraw/zinc/07/64/08/1047076408.db2.gz HOAVNIOOUOXXJW-AUUYWEPGSA-N 1 0 327.859 4.165 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000537303949 1047086319 /nfs/dbraw/zinc/08/63/19/1047086319.db2.gz KWHIDAVWOFJPAZ-RYUDHWBXSA-N 1 0 338.245 4.031 20 30 EIEDRO Cc1cccc2c1CC[C@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537306698 1047090442 /nfs/dbraw/zinc/09/04/42/1047090442.db2.gz MCUIKLUDNWORGW-HSZRJFAPSA-N 1 0 345.490 4.108 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000537307349 1047092304 /nfs/dbraw/zinc/09/23/04/1047092304.db2.gz KUBCOVGVTAOBAE-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO C#CCC1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCCCC1 ZINC000788219051 1047135696 /nfs/dbraw/zinc/13/56/96/1047135696.db2.gz ZSDJEBTUKXJKAS-PMACEKPBSA-N 1 0 344.543 4.073 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)cc1C#N ZINC000746740180 1047149853 /nfs/dbraw/zinc/14/98/53/1047149853.db2.gz DMORXXUMJBCPFB-UHFFFAOYSA-N 1 0 338.304 4.015 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000806175815 1047163593 /nfs/dbraw/zinc/16/35/93/1047163593.db2.gz FUKZSQXWVURNAQ-YWZLYKJASA-N 1 0 343.854 4.126 20 30 EIEDRO C[NH+](C)[C@H]1CCCC(N=Nc2nc(Cl)c(Cl)cc2Cl)C1 ZINC000788413780 1047189609 /nfs/dbraw/zinc/18/96/09/1047189609.db2.gz BPLHGKZUXSSQNQ-VIFPVBQESA-N 1 0 335.666 4.314 20 30 EIEDRO C[C@@H](NCc1cccnc1OC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000537407034 1047199467 /nfs/dbraw/zinc/19/94/67/1047199467.db2.gz MQYZSYAWZPBQES-CQSZACIVSA-N 1 0 339.414 4.265 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)c1 ZINC000788537356 1047217017 /nfs/dbraw/zinc/21/70/17/1047217017.db2.gz JRHWGTNWGFQKGD-RTWAWAEBSA-N 1 0 325.452 4.099 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000788641293 1047258130 /nfs/dbraw/zinc/25/81/30/1047258130.db2.gz CQDWWWZTSZVLTN-OXJNMPFZSA-N 1 0 336.435 4.240 20 30 EIEDRO C=CCCC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000476085767 1047303528 /nfs/dbraw/zinc/30/35/28/1047303528.db2.gz VDFOEKQIKKJUAY-AZUAARDMSA-N 1 0 340.511 4.244 20 30 EIEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000918063896 1047311181 /nfs/dbraw/zinc/31/11/81/1047311181.db2.gz GCRFBEJOZUIVCO-SFHVURJKSA-N 1 0 343.515 4.167 20 30 EIEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C(C)C ZINC000918063857 1047311784 /nfs/dbraw/zinc/31/17/84/1047311784.db2.gz CKHPJCVGLIFAAZ-GOSISDBHSA-N 1 0 343.515 4.167 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc1 ZINC000897589686 1047315335 /nfs/dbraw/zinc/31/53/35/1047315335.db2.gz SZGOAKLZCCZUQL-KRWDZBQOSA-N 1 0 345.446 4.229 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2cc3ccccc3o2)c1 ZINC000152576660 1047406137 /nfs/dbraw/zinc/40/61/37/1047406137.db2.gz YGNDZEPRBGJVQT-UHFFFAOYSA-N 1 0 334.419 4.448 20 30 EIEDRO C=CCCCCCCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000807094163 1047410867 /nfs/dbraw/zinc/41/08/67/1047410867.db2.gz UXRDCSWRHMARLN-ZWKOTPCHSA-N 1 0 335.536 4.075 20 30 EIEDRO C=CCCCCCCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000807094162 1047411537 /nfs/dbraw/zinc/41/15/37/1047411537.db2.gz UXRDCSWRHMARLN-ROUUACIJSA-N 1 0 335.536 4.075 20 30 EIEDRO CCOc1cccc(/C=N/C2CC[NH+](C3CCCCC3)CC2)c1O ZINC000746815367 1047425312 /nfs/dbraw/zinc/42/53/12/1047425312.db2.gz HXYWBKORAGXONK-RCCKNPSSSA-N 1 0 330.472 4.007 20 30 EIEDRO C=CCCCCCCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000807593172 1047477383 /nfs/dbraw/zinc/47/73/83/1047477383.db2.gz ZDBSXDZMVNGTOU-DFNIBXOVSA-N 1 0 335.536 4.170 20 30 EIEDRO N#CCCn1cc(C[NH2+][C@H]2CCCC3(CC3)C2)c(-c2ccccc2)n1 ZINC000897773280 1047480319 /nfs/dbraw/zinc/48/03/19/1047480319.db2.gz HQLADAJOFYPREX-IBGZPJMESA-N 1 0 334.467 4.276 20 30 EIEDRO CC[N@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1Br ZINC001137639233 1047502783 /nfs/dbraw/zinc/50/27/83/1047502783.db2.gz SUDMXRBXLSPTOU-UHFFFAOYSA-N 1 0 345.240 4.048 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C2CC3(C2)COC(C)(C)C3)ccc1OC ZINC000897973555 1047512248 /nfs/dbraw/zinc/51/22/48/1047512248.db2.gz VNWZGNMHWCUWDW-UHFFFAOYSA-N 1 0 345.483 4.087 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)Cc2cccnc2)cc1OC ZINC000897966580 1047519117 /nfs/dbraw/zinc/51/91/17/1047519117.db2.gz DQJDWWLVHAVNNM-AWEZNQCLSA-N 1 0 346.858 4.029 20 30 EIEDRO Cc1cccnc1N=NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000790187531 1047532555 /nfs/dbraw/zinc/53/25/55/1047532555.db2.gz XBGQDOBCKQHADE-UHFFFAOYSA-N 1 0 328.847 4.107 20 30 EIEDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000556204139 1047565460 /nfs/dbraw/zinc/56/54/60/1047565460.db2.gz CHBYTTINDDZIFI-QUCCMNQESA-N 1 0 341.499 4.192 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2nccnc2C2CCC2)CC1 ZINC000807992326 1047566215 /nfs/dbraw/zinc/56/62/15/1047566215.db2.gz FQHJXNNTDMINLA-QAPCUYQASA-N 1 0 341.503 4.187 20 30 EIEDRO C[C@H]1CC(N=Nc2nccnc2C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000807993701 1047566782 /nfs/dbraw/zinc/56/67/82/1047566782.db2.gz DTIHSVJWFRNVHF-INIZCTEOSA-N 1 0 349.482 4.197 20 30 EIEDRO CC(N=Nc1nccnc1C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807993148 1047568665 /nfs/dbraw/zinc/56/86/65/1047568665.db2.gz UVHPGFTWGLUULP-IBGZPJMESA-N 1 0 349.482 4.054 20 30 EIEDRO CC(N=Nc1nccnc1C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807993150 1047569091 /nfs/dbraw/zinc/56/90/91/1047569091.db2.gz UVHPGFTWGLUULP-LJQANCHMSA-N 1 0 349.482 4.054 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2oc3c(c2C)c(C)ccc3C)CC1 ZINC000106034278 1047658727 /nfs/dbraw/zinc/65/87/27/1047658727.db2.gz MOGRXTHUBZKTAU-UHFFFAOYSA-N 1 0 340.467 4.128 20 30 EIEDRO C=C[C@H](CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919628 1047693415 /nfs/dbraw/zinc/69/34/15/1047693415.db2.gz SGWCZGGVRZPUKD-WOIUINJBSA-N 1 0 348.490 4.298 20 30 EIEDRO C#CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H]1CCc2ccccc21 ZINC000154888104 1047744651 /nfs/dbraw/zinc/74/46/51/1047744651.db2.gz WSORSZUFKUPZDJ-NRFANRHFSA-N 1 0 344.462 4.135 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 ZINC000130846954 1047805866 /nfs/dbraw/zinc/80/58/66/1047805866.db2.gz QXLJMHATUKGSNF-WAOWUJCRSA-N 1 0 342.527 4.362 20 30 EIEDRO C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000556598609 1047838153 /nfs/dbraw/zinc/83/81/53/1047838153.db2.gz RDNVWWAPGVMEET-YCRPNKLZSA-N 1 0 330.435 4.009 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000556616517 1047839754 /nfs/dbraw/zinc/83/97/54/1047839754.db2.gz OLYTWTOEEIAKTQ-UHFFFAOYSA-N 1 0 326.415 4.107 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000824433311 1047867664 /nfs/dbraw/zinc/86/76/64/1047867664.db2.gz JMNUPBAWABSPMX-XRTORIHISA-N 1 0 341.455 4.156 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC001171058420 1047879378 /nfs/dbraw/zinc/87/93/78/1047879378.db2.gz UMJLEWGIADJUJH-KRWDZBQOSA-N 1 0 344.499 4.482 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000814183274 1047880702 /nfs/dbraw/zinc/88/07/02/1047880702.db2.gz IFLPOBSKEHQDKB-CIPMJJFUSA-N 1 0 346.858 4.044 20 30 EIEDRO CC(C)(C)C1CC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000556788341 1047993798 /nfs/dbraw/zinc/99/37/98/1047993798.db2.gz ZNJXXIMRLQWJGI-UHFFFAOYSA-N 1 0 327.472 4.058 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808707660 1048052795 /nfs/dbraw/zinc/05/27/95/1048052795.db2.gz UZDJWBLIGQYGEP-CQSZACIVSA-N 1 0 329.827 4.217 20 30 EIEDRO Cc1cccc([C@@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000556867350 1048077644 /nfs/dbraw/zinc/07/76/44/1048077644.db2.gz AFZFPYRYVDTZGP-SFHVURJKSA-N 1 0 333.479 4.229 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCC ZINC001127522722 1048091061 /nfs/dbraw/zinc/09/10/61/1048091061.db2.gz JYTOPDFXSQAOIO-CEWLAPEOSA-N 1 0 342.527 4.396 20 30 EIEDRO CC(C)C(=O)CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000808735449 1048096700 /nfs/dbraw/zinc/09/67/00/1048096700.db2.gz WWKFWKFEOILXRA-UHFFFAOYSA-N 1 0 338.426 4.315 20 30 EIEDRO N#CCCC[C@H]([NH2+]CC(=O)NC1CCCCCCC1)c1ccccc1 ZINC000814658851 1048103799 /nfs/dbraw/zinc/10/37/99/1048103799.db2.gz HMUPZCAWMDZGRP-FQEVSTJZSA-N 1 0 341.499 4.240 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1ccco1 ZINC000556886694 1048104174 /nfs/dbraw/zinc/10/41/74/1048104174.db2.gz NWQKBMZTJGFLPG-CQSZACIVSA-N 1 0 340.345 4.369 20 30 EIEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808793274 1048111741 /nfs/dbraw/zinc/11/17/41/1048111741.db2.gz ADMFDMSURLORHC-IYBDPMFKSA-N 1 0 340.389 4.380 20 30 EIEDRO CC(N=Nc1nc(C(F)(F)F)cs1)c1cccc(C[NH+](C)C)c1 ZINC000814867529 1048212466 /nfs/dbraw/zinc/21/24/66/1048212466.db2.gz IWEVMTXAEXQGNW-UHFFFAOYSA-N 1 0 342.390 4.060 20 30 EIEDRO CCCCCCCCCN(C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000747545653 1048274158 /nfs/dbraw/zinc/27/41/58/1048274158.db2.gz CHOIMLKACWWGSS-UHFFFAOYSA-N 1 0 343.475 4.482 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1cc2ccccc2o1)[C@H](C)c1ccc(C#N)cc1 ZINC000815023514 1048301638 /nfs/dbraw/zinc/30/16/38/1048301638.db2.gz XGCPZAPBGADSPJ-DNVCBOLYSA-N 1 0 334.419 4.421 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)OCC2CCC(C#N)CC2)cc1)C(C)C ZINC000805930568 1048303715 /nfs/dbraw/zinc/30/37/15/1048303715.db2.gz SHLHNNZSEVCWEB-UHFFFAOYSA-N 1 0 342.483 4.404 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815027780 1048307844 /nfs/dbraw/zinc/30/78/44/1048307844.db2.gz JCNMUDQMWNOOEM-LJQANCHMSA-N 1 0 332.403 4.026 20 30 EIEDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000132566598 1048351108 /nfs/dbraw/zinc/35/11/08/1048351108.db2.gz QNBNTBBMXPPFHC-UHFFFAOYSA-N 1 0 344.503 4.073 20 30 EIEDRO N#Cc1cncc(C[NH+]2CCC(Cc3cccc(Cl)c3)CC2)c1 ZINC001144074611 1048408633 /nfs/dbraw/zinc/40/86/33/1048408633.db2.gz WGYRHAJPWVZJSZ-UHFFFAOYSA-N 1 0 325.843 4.061 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000809609579 1048415655 /nfs/dbraw/zinc/41/56/55/1048415655.db2.gz GYPCUYALBBVBEG-HNNXBMFYSA-N 1 0 333.410 4.152 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cc(Cl)c(OCC)c(OC)c2)cc1 ZINC000809608512 1048416261 /nfs/dbraw/zinc/41/62/61/1048416261.db2.gz USOMYJQEECLKMC-UHFFFAOYSA-N 1 0 329.827 4.018 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000809617418 1048421601 /nfs/dbraw/zinc/42/16/01/1048421601.db2.gz QGCBLCPQHZMATR-GOSISDBHSA-N 1 0 326.237 4.208 20 30 EIEDRO N#Cc1ccc(CC2CC[NH+](Cc3[nH]nc4ccc(F)cc43)CC2)cc1 ZINC001144199760 1048491126 /nfs/dbraw/zinc/49/11/26/1048491126.db2.gz SAWKTACFDHSPIZ-UHFFFAOYSA-N 1 0 348.425 4.028 20 30 EIEDRO N#CC1(C[NH2+]Cc2c(-c3ccccc3)nc3sccn23)CCCC1 ZINC000844775561 1048495659 /nfs/dbraw/zinc/49/56/59/1048495659.db2.gz WSYCMJICNQCWKM-UHFFFAOYSA-N 1 0 336.464 4.236 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC[C@H](O)c2ccccc2)cc1Cl ZINC000809747625 1048515973 /nfs/dbraw/zinc/51/59/73/1048515973.db2.gz TVSREYCNBACIIL-SFHVURJKSA-N 1 0 331.843 4.118 20 30 EIEDRO C#CCSCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815594354 1048527664 /nfs/dbraw/zinc/52/76/64/1048527664.db2.gz MSCQRSLFSXVMQP-IBGZPJMESA-N 1 0 325.477 4.022 20 30 EIEDRO C#C[C@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C(C)(C)C ZINC000809782295 1048530462 /nfs/dbraw/zinc/53/04/62/1048530462.db2.gz NQKGOKYEESPKGW-SFHVURJKSA-N 1 0 336.882 4.081 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000809789657 1048534810 /nfs/dbraw/zinc/53/48/10/1048534810.db2.gz WXBQNHMMKLLVFY-XZOQPEGZSA-N 1 0 327.427 4.232 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)nc1 ZINC000815618285 1048543379 /nfs/dbraw/zinc/54/33/79/1048543379.db2.gz IGWPRASBTUEAMU-NRFANRHFSA-N 1 0 343.430 4.123 20 30 EIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000815637009 1048565063 /nfs/dbraw/zinc/56/50/63/1048565063.db2.gz IZOSFGQSBPQOPP-MRXNPFEDSA-N 1 0 327.472 4.193 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1CNc1nc2c(cc1C#N)CCCC2 ZINC000217639017 1048588300 /nfs/dbraw/zinc/58/83/00/1048588300.db2.gz ORJPZOIGNSOGAR-UHFFFAOYSA-N 1 0 348.494 4.286 20 30 EIEDRO Cc1ccccc1CC[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC001170593425 1048594701 /nfs/dbraw/zinc/59/47/01/1048594701.db2.gz LLPISFIUZDRFDG-UHFFFAOYSA-N 1 0 343.268 4.304 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc(Cl)c(C)c3C#N)c2c1 ZINC001171169209 1048620362 /nfs/dbraw/zinc/62/03/62/1048620362.db2.gz XRPNNDKIFNNVKR-LBPRGKRZSA-N 1 0 338.842 4.057 20 30 EIEDRO C[C@H]1C[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC[N@@H+]1C ZINC000810114596 1048634626 /nfs/dbraw/zinc/63/46/26/1048634626.db2.gz FFGCYUCZZWFZQC-LRQRDZAKSA-N 1 0 347.462 4.011 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(Br)cs1 ZINC001171174880 1048643573 /nfs/dbraw/zinc/64/35/73/1048643573.db2.gz FKMSRPKICWQKCN-LLVKDONJSA-N 1 0 335.270 4.103 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Br)cc1F ZINC001171176137 1048651049 /nfs/dbraw/zinc/65/10/49/1048651049.db2.gz PUQPMUNNZAERJS-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001171179503 1048653103 /nfs/dbraw/zinc/65/31/03/1048653103.db2.gz SPJCHRHNMVPBHW-GOSISDBHSA-N 1 0 333.479 4.269 20 30 EIEDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000810151612 1048657428 /nfs/dbraw/zinc/65/74/28/1048657428.db2.gz DBVNDWRYXSEGRF-SCLBCKFNSA-N 1 0 348.368 4.179 20 30 EIEDRO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000810151813 1048657876 /nfs/dbraw/zinc/65/78/76/1048657876.db2.gz PFOCXJJXUSPTOJ-QZTJIDSGSA-N 1 0 341.480 4.228 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC001171178724 1048659797 /nfs/dbraw/zinc/65/97/97/1048659797.db2.gz KGQPUBJFIYWVER-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)=NN[C@@H](C)c2ccccc2)ccc1O ZINC000920382702 1048661652 /nfs/dbraw/zinc/66/16/52/1048661652.db2.gz MAGDUUWPABVDOQ-INIZCTEOSA-N 1 0 339.483 4.309 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCSCc1ccc(F)cc1 ZINC001171182050 1048662368 /nfs/dbraw/zinc/66/23/68/1048662368.db2.gz SBEMVGBGCMMDOH-HNNXBMFYSA-N 1 0 328.456 4.151 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C(F)(F)F)cc1F ZINC001171184372 1048675934 /nfs/dbraw/zinc/67/59/34/1048675934.db2.gz MCORVRNPTXUUCH-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)cc1F ZINC001144444309 1048677588 /nfs/dbraw/zinc/67/75/88/1048677588.db2.gz UIBRLHXFMPHCTR-UHFFFAOYSA-N 1 0 327.399 4.191 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1F ZINC000810216649 1048685836 /nfs/dbraw/zinc/68/58/36/1048685836.db2.gz MJZWKNKWKCSCTE-FQEVSTJZSA-N 1 0 337.442 4.321 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)CC2 ZINC000810218090 1048686526 /nfs/dbraw/zinc/68/65/26/1048686526.db2.gz OSXBEUZUMXMLIC-ZWKOTPCHSA-N 1 0 347.245 4.176 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC001171189735 1048687660 /nfs/dbraw/zinc/68/76/60/1048687660.db2.gz KMWFVHFNCYRONI-HNNXBMFYSA-N 1 0 333.460 4.403 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001171189994 1048693386 /nfs/dbraw/zinc/69/33/86/1048693386.db2.gz OJGXWAMQRCKLEZ-KZULUSFZSA-N 1 0 349.261 4.119 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cncc3ccccc32)cc1 ZINC000772929690 1048701806 /nfs/dbraw/zinc/70/18/06/1048701806.db2.gz PDBGXHWJHRYNCL-UHFFFAOYSA-N 1 0 340.348 4.395 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCC(=O)OCc1ccccc1)CC2 ZINC000810235695 1048701975 /nfs/dbraw/zinc/70/19/75/1048701975.db2.gz TWTJUJGWSGGLPE-NRFANRHFSA-N 1 0 348.446 4.049 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC3(CC2)OC(C)(C)c2ccccc23)cc1 ZINC001144576238 1048735591 /nfs/dbraw/zinc/73/55/91/1048735591.db2.gz GLMOAQXHXMCVNP-UHFFFAOYSA-N 1 0 331.459 4.425 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)cccc1Br ZINC001171202260 1048759978 /nfs/dbraw/zinc/75/99/78/1048759978.db2.gz YMSYTNHAKLTPNX-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)C1 ZINC000845939415 1048766995 /nfs/dbraw/zinc/76/69/95/1048766995.db2.gz OVYGZZUXLGGHBP-FXAWDEMLSA-N 1 0 349.478 4.193 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)C1 ZINC000845978911 1048771573 /nfs/dbraw/zinc/77/15/73/1048771573.db2.gz YTQWYRGRKUBJFJ-JFIYKMOQSA-N 1 0 327.472 4.002 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000845977874 1048771820 /nfs/dbraw/zinc/77/18/20/1048771820.db2.gz RQVRMXWVWFHMIT-NUJGCVRESA-N 1 0 328.456 4.429 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCOc2ccc(Cl)cc21 ZINC001171203907 1048773598 /nfs/dbraw/zinc/77/35/98/1048773598.db2.gz QHKQZOIGLCSJAA-FZKQIMNGSA-N 1 0 326.827 4.256 20 30 EIEDRO Cc1cc(C[NH2+]CC2(C#N)CCCC2)cc(C)c1OCc1ccccn1 ZINC000846012133 1048787820 /nfs/dbraw/zinc/78/78/20/1048787820.db2.gz UQEHCSWFVQJUIB-UHFFFAOYSA-N 1 0 349.478 4.451 20 30 EIEDRO C[C@H]1[C@H](OC(=O)CCCCCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000816470372 1048807988 /nfs/dbraw/zinc/80/79/88/1048807988.db2.gz MQWYUASZNKRYNM-PKOBYXMFSA-N 1 0 328.456 4.057 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001171211410 1048808404 /nfs/dbraw/zinc/80/84/04/1048808404.db2.gz ZDDCOZIAPSAZPD-IBGZPJMESA-N 1 0 347.506 4.086 20 30 EIEDRO Oc1ccccc1/C=N\C[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000920945147 1048819258 /nfs/dbraw/zinc/81/92/58/1048819258.db2.gz QTOWBPPHKJGPDK-PKIWBCANSA-N 1 0 328.843 4.302 20 30 EIEDRO Cc1ccc2c(c1)c1c(n2[C@@H](C)Cc2cccc(C#N)c2)CC[NH2+]C1 ZINC001171220496 1048851574 /nfs/dbraw/zinc/85/15/74/1048851574.db2.gz ASDBBQAKGXIRIO-INIZCTEOSA-N 1 0 329.447 4.271 20 30 EIEDRO C[C@H](C=[NH+]n1cnc2ccccc21)c1cccc(Br)c1 ZINC000747629131 1048859362 /nfs/dbraw/zinc/85/93/62/1048859362.db2.gz DNBJNIFONYXBPI-GFCCVEGCSA-N 1 0 328.213 4.436 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)Cc2cccs2)cc(OC)c1OC ZINC000772946864 1048887123 /nfs/dbraw/zinc/88/71/23/1048887123.db2.gz QPADGGYKCWYYKF-CQSZACIVSA-N 1 0 331.481 4.215 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2Oc2cccc(C)c2)CC1 ZINC000921302034 1048920536 /nfs/dbraw/zinc/92/05/36/1048920536.db2.gz LYPQJBBOWNBAOT-UHFFFAOYSA-N 1 0 348.446 4.071 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H]2CCc3ccc(Br)cc3C2)cs1 ZINC001170862033 1048952138 /nfs/dbraw/zinc/95/21/38/1048952138.db2.gz ICEMYDLQUPASTL-HNNXBMFYSA-N 1 0 347.281 4.029 20 30 EIEDRO N#CCC1([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CCCC1 ZINC001170867599 1048962994 /nfs/dbraw/zinc/96/29/94/1048962994.db2.gz JDRDJVPGQAZJKT-MRXNPFEDSA-N 1 0 333.273 4.122 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H]2CCc3ccc(Br)cc3C2)c1 ZINC001170870107 1048977935 /nfs/dbraw/zinc/97/79/35/1048977935.db2.gz VRSLKRURWMJCSW-HNNXBMFYSA-N 1 0 347.281 4.029 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847030360 1048984173 /nfs/dbraw/zinc/98/41/73/1048984173.db2.gz MLKPIBXIWOTFSA-GOSISDBHSA-N 1 0 332.447 4.027 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(OCC#N)cc2)C(C)C)c(F)c1 ZINC000817578465 1049009561 /nfs/dbraw/zinc/00/95/61/1049009561.db2.gz LGHFKLFXNCWSDX-HXUWFJFHSA-N 1 0 342.414 4.224 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817955428 1049065590 /nfs/dbraw/zinc/06/55/90/1049065590.db2.gz ALHGSFADTCVJPO-OAHLLOKOSA-N 1 0 330.859 4.293 20 30 EIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCc2ccc(Br)cc2C1 ZINC001170887935 1049094131 /nfs/dbraw/zinc/09/41/31/1049094131.db2.gz ZYTBZSKUTMONOL-BIMQEMHKSA-N 1 0 345.284 4.073 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCCC2(C)C)ccc1OC ZINC000772980426 1049144192 /nfs/dbraw/zinc/14/41/92/1049144192.db2.gz OKMUIVRKTOKSFE-APWZRJJASA-N 1 0 330.472 4.435 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2SC(C)C)CC1 ZINC000135392500 1049144768 /nfs/dbraw/zinc/14/47/68/1049144768.db2.gz RYPOOELIDRKYOD-UHFFFAOYSA-N 1 0 347.528 4.349 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000772983459 1049197415 /nfs/dbraw/zinc/19/74/15/1049197415.db2.gz KINBHJUSJRSAHD-HNAYVOBHSA-N 1 0 336.435 4.153 20 30 EIEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818994806 1049230252 /nfs/dbraw/zinc/23/02/52/1049230252.db2.gz KASFVHLTABKUPG-KZULUSFZSA-N 1 0 349.261 4.119 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000078730801 1049278805 /nfs/dbraw/zinc/27/88/05/1049278805.db2.gz SZPIFUXGHTZFHP-GOSISDBHSA-N 1 0 341.480 4.162 20 30 EIEDRO N#CC1(c2ccc(-n3cc4ccc(C[NH3+])cc4n3)cc2)CCCCC1 ZINC001171325198 1049291913 /nfs/dbraw/zinc/29/19/13/1049291913.db2.gz YNUIIHWVTAHVNM-UHFFFAOYSA-N 1 0 330.435 4.210 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819271133 1049296270 /nfs/dbraw/zinc/29/62/70/1049296270.db2.gz OFIZACLXCSMTST-ZWKOTPCHSA-N 1 0 347.245 4.176 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C[C@@H](c2ccccc2)C1 ZINC000819370863 1049309254 /nfs/dbraw/zinc/30/92/54/1049309254.db2.gz WQQIFQDSPAUPKG-KPQYALRZSA-N 1 0 334.463 4.154 20 30 EIEDRO COc1cccc([C@@H](C)[NH+]2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609823559 1049344994 /nfs/dbraw/zinc/34/49/94/1049344994.db2.gz QHRYNNIMXMZNJB-QZTJIDSGSA-N 1 0 349.478 4.007 20 30 EIEDRO C=CC(C)(C)CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC001148727951 1049362334 /nfs/dbraw/zinc/36/23/34/1049362334.db2.gz YVKHRRFMUNTFMT-LJQANCHMSA-N 1 0 340.511 4.007 20 30 EIEDRO CC(C)OCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064620748 1049374909 /nfs/dbraw/zinc/37/49/09/1049374909.db2.gz VMMOYGVOCUATPC-UHFFFAOYSA-N 1 0 326.415 4.125 20 30 EIEDRO C[C@@H](NN=C1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)c1ccncc1 ZINC000819818477 1049375287 /nfs/dbraw/zinc/37/52/87/1049375287.db2.gz MQOFMYBKSABSNY-IIBYNOLFSA-N 1 0 334.467 4.088 20 30 EIEDRO C[NH+](C)[C@H](CNc1ccc(C#N)cc1C(F)(F)F)c1ccsc1 ZINC000609961263 1049420183 /nfs/dbraw/zinc/42/01/83/1049420183.db2.gz FXVXUGZOAGFYKN-OAHLLOKOSA-N 1 0 339.386 4.353 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+]CC(C)(C)C)cc1OC ZINC000195653651 1049432838 /nfs/dbraw/zinc/43/28/38/1049432838.db2.gz PBMVHAWHHSRZOK-UHFFFAOYSA-N 1 0 342.277 4.158 20 30 EIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc(F)cc1 ZINC000820162601 1049446832 /nfs/dbraw/zinc/44/68/32/1049446832.db2.gz YOBCMJPEPNYQBC-HNNXBMFYSA-N 1 0 325.836 4.262 20 30 EIEDRO C=C(Cl)C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000773005790 1049516717 /nfs/dbraw/zinc/51/67/17/1049516717.db2.gz UCUZGYGEHPNQTL-HNNXBMFYSA-N 1 0 341.842 4.316 20 30 EIEDRO C#CCSCC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000773010529 1049522428 /nfs/dbraw/zinc/52/24/28/1049522428.db2.gz MINNJUPFZPGQCK-CYBMUJFWSA-N 1 0 346.521 4.144 20 30 EIEDRO C#CCSCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000773009605 1049522814 /nfs/dbraw/zinc/52/28/14/1049522814.db2.gz CYUCOKTYAANZAH-HNNXBMFYSA-N 1 0 328.506 4.144 20 30 EIEDRO N#Cc1nnc2ccccc2c1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000610128183 1049554801 /nfs/dbraw/zinc/55/48/01/1049554801.db2.gz CFPCGHRKRILMPH-UHFFFAOYSA-N 1 0 349.482 4.102 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CCC(c3ccccc3)CC2)CC1 ZINC000080079993 1049556929 /nfs/dbraw/zinc/55/69/29/1049556929.db2.gz RTAZXTOWPKOQFA-UHFFFAOYSA-N 1 0 340.511 4.117 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000773060500 1049559033 /nfs/dbraw/zinc/55/90/33/1049559033.db2.gz QRRIFVHMAOTTRY-SCLBCKFNSA-N 1 0 327.811 4.136 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812744096 1049562147 /nfs/dbraw/zinc/56/21/47/1049562147.db2.gz ZKYPGFSAMCNNGN-FUHWJXTLSA-N 1 0 329.488 4.392 20 30 EIEDRO CC(C)c1nccnc1N=NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000773071968 1049566210 /nfs/dbraw/zinc/56/62/10/1049566210.db2.gz FJCMJYPSCAWQGM-WBVHZDCISA-N 1 0 329.492 4.042 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](CCOC)Cc1cccc(F)c1)c1ccccc1 ZINC000773115763 1049585904 /nfs/dbraw/zinc/58/59/04/1049585904.db2.gz OVPLKYFBIOCGME-NHCUHLMSSA-N 1 0 325.427 4.128 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000773116027 1049589335 /nfs/dbraw/zinc/58/93/35/1049589335.db2.gz PCZQHNTVYKCVSY-YJBOKZPZSA-N 1 0 338.407 4.409 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccccc2Br)c1 ZINC000821022039 1049590230 /nfs/dbraw/zinc/59/02/30/1049590230.db2.gz MKYUYXMCZFVAFV-ZHACJKMWSA-N 1 0 344.252 4.407 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(OC(C)(C)C)n2)cc1 ZINC000773132549 1049598501 /nfs/dbraw/zinc/59/85/01/1049598501.db2.gz OSGVKATWFZJQFY-INIZCTEOSA-N 1 0 338.451 4.122 20 30 EIEDRO CC[NH+](CC)CCCN(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC001171390173 1049600305 /nfs/dbraw/zinc/60/03/05/1049600305.db2.gz IJXROPZNENVVBG-HNNXBMFYSA-N 1 0 341.421 4.151 20 30 EIEDRO CC[N@H+](CC#Cc1ccccc1Cl)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847702 1049609973 /nfs/dbraw/zinc/60/99/73/1049609973.db2.gz FTGWHQDMVNFFFL-JXFKEZNVSA-N 1 0 327.855 4.136 20 30 EIEDRO CC[N@H+](CC#Cc1cccc(Cl)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849957 1049610078 /nfs/dbraw/zinc/61/00/78/1049610078.db2.gz RZJSQEHQRZEJMT-OXQOHEQNSA-N 1 0 327.855 4.136 20 30 EIEDRO C=CCCC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001136451503 1049647475 /nfs/dbraw/zinc/64/74/75/1049647475.db2.gz YNTSNPKKOPTXKI-TZIWHRDSSA-N 1 0 342.527 4.363 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c(F)cccc3C2)c(C(F)(F)F)c1 ZINC001171419892 1049656555 /nfs/dbraw/zinc/65/65/55/1049656555.db2.gz WMEVGUFZSFHRKB-OAHLLOKOSA-N 1 0 348.343 4.363 20 30 EIEDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000067962749 1049672455 /nfs/dbraw/zinc/67/24/55/1049672455.db2.gz YLZMJQWXKHYPBX-OAHLLOKOSA-N 1 0 347.418 4.326 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000615438850 1049681201 /nfs/dbraw/zinc/68/12/01/1049681201.db2.gz FVCWQPCUIJEDHW-RBUKOAKNSA-N 1 0 333.479 4.216 20 30 EIEDRO C#CCCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000773303096 1049700650 /nfs/dbraw/zinc/70/06/50/1049700650.db2.gz FTXJISRUKMBTLW-IBGZPJMESA-N 1 0 346.902 4.004 20 30 EIEDRO C#CCCCCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000179693855 1049723911 /nfs/dbraw/zinc/72/39/11/1049723911.db2.gz RVOMNOAYHUWVDC-UHFFFAOYSA-N 1 0 348.490 4.225 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccccc1 ZINC000772858821 1049760706 /nfs/dbraw/zinc/76/07/06/1049760706.db2.gz YRKVROVMYVAICY-VQTJNVASSA-N 1 0 341.451 4.034 20 30 EIEDRO C=CC[C@H]([NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000822455332 1049765129 /nfs/dbraw/zinc/76/51/29/1049765129.db2.gz CPBOSRMRMPLYTF-SZMVWBNQSA-N 1 0 345.487 4.076 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC001136596608 1049772200 /nfs/dbraw/zinc/77/22/00/1049772200.db2.gz NBRZWKGWAVBKSL-FQEVSTJZSA-N 1 0 342.483 4.377 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC001171733883 1049798651 /nfs/dbraw/zinc/79/86/51/1049798651.db2.gz JMHVEYYGZYFYPX-ZPMCFJSWSA-N 1 0 333.479 4.262 20 30 EIEDRO Fc1cccc2c1C[C@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C2 ZINC001171790376 1049804654 /nfs/dbraw/zinc/80/46/54/1049804654.db2.gz JYDMQRSZVPBZBV-SECBINFHSA-N 1 0 329.259 4.013 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C12CCC(CC1)C2(C)C)C(C)C ZINC001136650138 1049811764 /nfs/dbraw/zinc/81/17/64/1049811764.db2.gz QKZJGTMUEMZFCE-IDYZSHNDSA-N 1 0 332.532 4.018 20 30 EIEDRO CC(C)([NH2+]CCOc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC001171911430 1049818170 /nfs/dbraw/zinc/81/81/70/1049818170.db2.gz MLQZQUBRQCSBDE-UHFFFAOYSA-N 1 0 348.368 4.481 20 30 EIEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172051069 1049842897 /nfs/dbraw/zinc/84/28/97/1049842897.db2.gz DYPPQQSLOLNEHW-IRXDYDNUSA-N 1 0 349.519 4.371 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172051066 1049843454 /nfs/dbraw/zinc/84/34/54/1049843454.db2.gz DYPPQQSLOLNEHW-IAGOWNOFSA-N 1 0 349.519 4.371 20 30 EIEDRO CC(C)C[C@@H](C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066793 1049850803 /nfs/dbraw/zinc/85/08/03/1049850803.db2.gz BHJQUCWYVZLLJF-XSDIEEQYSA-N 1 0 325.500 4.100 20 30 EIEDRO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000180165182 1049855754 /nfs/dbraw/zinc/85/57/54/1049855754.db2.gz YKFGPIMQLJGQCT-CVEARBPZSA-N 1 0 348.450 4.370 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCO)c1cccc2ccccc21 ZINC001172301677 1049872884 /nfs/dbraw/zinc/87/28/84/1049872884.db2.gz UGTHGQRUYVPTJG-HXOBKFHXSA-N 1 0 344.458 4.356 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC(=O)c1ccc(Cl)c(Cl)c1 ZINC001172301851 1049873405 /nfs/dbraw/zinc/87/34/05/1049873405.db2.gz YFFOWBAMMMQNNV-GFCCVEGCSA-N 1 0 347.245 4.269 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001172310001 1049874888 /nfs/dbraw/zinc/87/48/88/1049874888.db2.gz ZFOAQLDOJNJPBH-JPYJTQIMSA-N 1 0 341.458 4.396 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCOc2ccc(Cl)cc21 ZINC001172307078 1049874938 /nfs/dbraw/zinc/87/49/38/1049874938.db2.gz BMJJAFSQADNZCY-SCLBCKFNSA-N 1 0 326.827 4.256 20 30 EIEDRO Cc1cc(C[N@H+](Cc2ccccc2)[C@@H](C)Cc2ccc(C#N)cc2)on1 ZINC001172311702 1049875324 /nfs/dbraw/zinc/87/53/24/1049875324.db2.gz WELULNZQBWBFLK-SFHVURJKSA-N 1 0 345.446 4.488 20 30 EIEDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172311913 1049875355 /nfs/dbraw/zinc/87/53/55/1049875355.db2.gz CJNPGTSZKZODCI-IERDGZPVSA-N 1 0 348.446 4.113 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001172313099 1049875611 /nfs/dbraw/zinc/87/56/11/1049875611.db2.gz PAIDQCRGGZZOSQ-CVDCTZTESA-N 1 0 347.506 4.086 20 30 EIEDRO COC(=O)c1cccc([C@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172311915 1049875649 /nfs/dbraw/zinc/87/56/49/1049875649.db2.gz CJNPGTSZKZODCI-IIBYNOLFSA-N 1 0 348.446 4.113 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1nc(C2CC[NH2+]CC2)c2ccccc21 ZINC001172313188 1049875760 /nfs/dbraw/zinc/87/57/60/1049875760.db2.gz RBQWQUJSCLPNAC-INIZCTEOSA-N 1 0 344.462 4.179 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001172290717 1049880632 /nfs/dbraw/zinc/88/06/32/1049880632.db2.gz RSQLMKWVTVUOAE-HNNXBMFYSA-N 1 0 333.460 4.403 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccc(C)c2F)ccc1OC ZINC000823848485 1049881375 /nfs/dbraw/zinc/88/13/75/1049881375.db2.gz VFMSBIFCLWSKJJ-KRWDZBQOSA-N 1 0 342.414 4.114 20 30 EIEDRO COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172295473 1049882041 /nfs/dbraw/zinc/88/20/41/1049882041.db2.gz RYMYASKWGJNHFJ-HOTGVXAUSA-N 1 0 347.462 4.215 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Br)cc1 ZINC001172295714 1049882097 /nfs/dbraw/zinc/88/20/97/1049882097.db2.gz UKSWZGAWTGXMMG-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCOc1ccc(Cl)cc1 ZINC001172295911 1049882125 /nfs/dbraw/zinc/88/21/25/1049882125.db2.gz VSKILUKQXQEBNV-HNNXBMFYSA-N 1 0 328.843 4.201 20 30 EIEDRO C[C@H](O)[C@@](C)(C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000616364108 1049882592 /nfs/dbraw/zinc/88/25/92/1049882592.db2.gz PXISAVFNIMCSMK-JJEOQYAHSA-N 1 0 348.490 4.155 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccncc1Cl)C1CC1 ZINC001172299970 1049882706 /nfs/dbraw/zinc/88/27/06/1049882706.db2.gz PZPDGERUPAJNRX-YJYMSZOUSA-N 1 0 325.843 4.279 20 30 EIEDRO COc1ccccc1CC1([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CCC1 ZINC001172299697 1049882947 /nfs/dbraw/zinc/88/29/47/1049882947.db2.gz NDMPSHOWUSFXLA-KRWDZBQOSA-N 1 0 334.463 4.253 20 30 EIEDRO Cc1c(Br)cccc1C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300293 1049882983 /nfs/dbraw/zinc/88/29/83/1049882983.db2.gz TVPHHCOEQXKVGZ-ZDUSSCGKSA-N 1 0 343.268 4.350 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)[C@@H]2CC ZINC001172373463 1049883983 /nfs/dbraw/zinc/88/39/83/1049883983.db2.gz MPHWIZYYOOLQOZ-MERXZDIISA-N 1 0 332.532 4.233 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC001172346790 1049889784 /nfs/dbraw/zinc/88/97/84/1049889784.db2.gz MFKHNKUUKQBEBW-QGZVFWFLSA-N 1 0 325.518 4.319 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]CC1CCN(c2ncccn2)CC1 ZINC001172349444 1049891082 /nfs/dbraw/zinc/89/10/82/1049891082.db2.gz CALWRFDHIIDCNZ-IBGZPJMESA-N 1 0 332.536 4.422 20 30 EIEDRO CCCCCCC[C@@H](CC)n1cc(C[C@@H]([NH3+])C(N)=O)c2ccccc21 ZINC001172347543 1049891395 /nfs/dbraw/zinc/89/13/95/1049891395.db2.gz WVLHPLORRZNEBA-IEBWSBKVSA-N 1 0 343.515 4.308 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC001172349829 1049891533 /nfs/dbraw/zinc/89/15/33/1049891533.db2.gz GTFJLHBPWYUYOA-ZWKOTPCHSA-N 1 0 327.509 4.073 20 30 EIEDRO CCCCCCC[C@H](CC)[NH+]1CCN(CCc2ccccn2)CC1 ZINC001172353667 1049893162 /nfs/dbraw/zinc/89/31/62/1049893162.db2.gz AKYPHIOVUIFGPQ-NRFANRHFSA-N 1 0 331.548 4.381 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001172356306 1049894565 /nfs/dbraw/zinc/89/45/65/1049894565.db2.gz VWNLKXCDRDTYTA-UYAOXDASSA-N 1 0 330.520 4.270 20 30 EIEDRO CCCCCCC[C@H](CC)N1CCn2c(COC(C)C)nnc2C1 ZINC001172359610 1049895389 /nfs/dbraw/zinc/89/53/89/1049895389.db2.gz YZMSYPFBDVXKHT-KRWDZBQOSA-N 1 0 336.524 4.158 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001172477860 1049909607 /nfs/dbraw/zinc/90/96/07/1049909607.db2.gz AVTOFKUHMAXDOX-YESZJQIVSA-N 1 0 337.508 4.132 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC001172479095 1049909761 /nfs/dbraw/zinc/90/97/61/1049909761.db2.gz GVGLTJMGVUIVTL-QGZVFWFLSA-N 1 0 345.487 4.096 20 30 EIEDRO COCCS[C@@H](C[NH2+][C@@H](C)CCCC#N)c1ccc(Cl)cc1 ZINC001172487450 1049911341 /nfs/dbraw/zinc/91/13/41/1049911341.db2.gz BFUWGBKFJQTYBP-YOEHRIQHSA-N 1 0 340.920 4.433 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]Cc1nc2ccccc2n1Cc1ccccc1 ZINC001172485680 1049911539 /nfs/dbraw/zinc/91/15/39/1049911539.db2.gz SGTFINJMXSMERE-QGZVFWFLSA-N 1 0 332.451 4.257 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC001172490626 1049920425 /nfs/dbraw/zinc/92/04/25/1049920425.db2.gz JGAQMXVDNPAIIR-OXJNMPFZSA-N 1 0 332.451 4.335 20 30 EIEDRO C[C@H](CCCC#N)[N@H+](C)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001172499083 1049922682 /nfs/dbraw/zinc/92/26/82/1049922682.db2.gz AMVMSKCNCWQFBJ-LJQANCHMSA-N 1 0 347.506 4.474 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC001172501117 1049923122 /nfs/dbraw/zinc/92/31/22/1049923122.db2.gz AEAYZSMSGFGAIX-MSOLQXFVSA-N 1 0 327.509 4.073 20 30 EIEDRO C[C@@H](CCCC#N)[N@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001172510102 1049925162 /nfs/dbraw/zinc/92/51/62/1049925162.db2.gz VNWWEPOELDPPLF-GTPINHCMSA-N 1 0 337.508 4.179 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCC(N(C)Cc2ccc(Cl)cc2)CC1 ZINC001172510295 1049925291 /nfs/dbraw/zinc/92/52/91/1049925291.db2.gz ZHAJWRGSLQICLW-INIZCTEOSA-N 1 0 333.907 4.319 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001172510383 1049926069 /nfs/dbraw/zinc/92/60/69/1049926069.db2.gz AWYAHEBDDOVRKG-SFHVURJKSA-N 1 0 325.541 4.251 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001172512011 1049926618 /nfs/dbraw/zinc/92/66/18/1049926618.db2.gz XZNUQTHZODWBOA-KRWDZBQOSA-N 1 0 336.520 4.034 20 30 EIEDRO CCCCCCC[C@H](CCC)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001172510729 1049927037 /nfs/dbraw/zinc/92/70/37/1049927037.db2.gz IHNLDKNRUQVUCH-PMACEKPBSA-N 1 0 348.579 4.406 20 30 EIEDRO CCCCCCCCCCCC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)[O-] ZINC001172565861 1049935283 /nfs/dbraw/zinc/93/52/83/1049935283.db2.gz PNPKJYYNKXLBCH-MSOLQXFVSA-N 1 0 328.541 4.468 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)cc1 ZINC000069067370 1049963851 /nfs/dbraw/zinc/96/38/51/1049963851.db2.gz ZBCQCMLRNGQPKA-UHFFFAOYSA-N 1 0 347.462 4.367 20 30 EIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172729080 1049968147 /nfs/dbraw/zinc/96/81/47/1049968147.db2.gz PAERWZDUDXNIMQ-PZJWPPBQSA-N 1 0 333.516 4.316 20 30 EIEDRO C=CC[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000249586375 1050102372 /nfs/dbraw/zinc/10/23/72/1050102372.db2.gz TWUHJJQEVWIHED-AZUAARDMSA-N 1 0 328.500 4.117 20 30 EIEDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N2CCCC2)cc1 ZINC000181407888 1050117190 /nfs/dbraw/zinc/11/71/90/1050117190.db2.gz LYZPUJZXYIIEMZ-JTSKRJEESA-N 1 0 349.478 4.055 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000181417229 1050120544 /nfs/dbraw/zinc/12/05/44/1050120544.db2.gz NWLBXGQMMJIVAJ-YCRPNKLZSA-N 1 0 336.435 4.377 20 30 EIEDRO COC(=O)[C@H]1CCC[C@@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001172793705 1050158286 /nfs/dbraw/zinc/15/82/86/1050158286.db2.gz BSYKNOXABCFPCO-FUHWJXTLSA-N 1 0 348.874 4.178 20 30 EIEDRO C=CC1(CC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CCCCC1 ZINC001177212328 1050162725 /nfs/dbraw/zinc/16/27/25/1050162725.db2.gz WTOJBUBGMVBSRE-UHFFFAOYSA-N 1 0 332.532 4.380 20 30 EIEDRO C[C@@H](Cc1ccc(F)cc1Cl)NC(=[NH2+])c1ccc2ccccc2n1 ZINC001172861420 1050198387 /nfs/dbraw/zinc/19/83/87/1050198387.db2.gz RJWLOLICMDHUNT-LBPRGKRZSA-N 1 0 341.817 4.364 20 30 EIEDRO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172875735 1050216088 /nfs/dbraw/zinc/21/60/88/1050216088.db2.gz AYOQQYOQDGPWQO-NHYWBVRUSA-N 1 0 339.913 4.095 20 30 EIEDRO C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177483219 1050223955 /nfs/dbraw/zinc/22/39/55/1050223955.db2.gz JIAJDNRKKSWLCO-QGZVFWFLSA-N 1 0 327.516 4.088 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(C#N)cc1 ZINC001172895730 1050231781 /nfs/dbraw/zinc/23/17/81/1050231781.db2.gz IGBWVLSSXPLHHY-AUUYWEPGSA-N 1 0 335.407 4.065 20 30 EIEDRO CC[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181594134 1050236593 /nfs/dbraw/zinc/23/65/93/1050236593.db2.gz LGVMMISDRZKZLL-NRFANRHFSA-N 1 0 347.506 4.306 20 30 EIEDRO CCCCCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172969478 1050247632 /nfs/dbraw/zinc/24/76/32/1050247632.db2.gz WUMFNFGKOGFEKG-IRXDYDNUSA-N 1 0 337.508 4.228 20 30 EIEDRO CCCCC1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172988012 1050253675 /nfs/dbraw/zinc/25/36/75/1050253675.db2.gz IJWBXPHNXOQDFS-MSOLQXFVSA-N 1 0 349.519 4.180 20 30 EIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC001177566343 1050254815 /nfs/dbraw/zinc/25/48/15/1050254815.db2.gz SRHBASLUKQPZQJ-IMFGXOCKSA-N 1 0 327.516 4.422 20 30 EIEDRO C=C[C@@H]([NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001173065085 1050278288 /nfs/dbraw/zinc/27/82/88/1050278288.db2.gz UHHOFSNAFHGZMQ-KBAYOESNSA-N 1 0 330.472 4.291 20 30 EIEDRO C=C[C@@H]([NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001173065084 1050279352 /nfs/dbraw/zinc/27/93/52/1050279352.db2.gz UHHOFSNAFHGZMQ-CGTJXYLNSA-N 1 0 330.472 4.291 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC001177928241 1050337408 /nfs/dbraw/zinc/33/74/08/1050337408.db2.gz DXLJYRBLMLBMCE-MRXNPFEDSA-N 1 0 343.854 4.299 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CO)c2sccc2C)cc1Cl ZINC001177931732 1050338775 /nfs/dbraw/zinc/33/87/75/1050338775.db2.gz DFIYAMARKUFYKO-OAHLLOKOSA-N 1 0 337.872 4.098 20 30 EIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000181838478 1050348864 /nfs/dbraw/zinc/34/88/64/1050348864.db2.gz ULTIAVAAZCLHTN-KBPBESRZSA-N 1 0 330.378 4.321 20 30 EIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000181838496 1050348882 /nfs/dbraw/zinc/34/88/82/1050348882.db2.gz ULTIAVAAZCLHTN-KGLIPLIRSA-N 1 0 330.378 4.321 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCC(CC)([NH+]2CCC2)CC1)c1ccccc1 ZINC001178110453 1050375241 /nfs/dbraw/zinc/37/52/41/1050375241.db2.gz XHNXDPCXSWROMB-FQEVSTJZSA-N 1 0 340.511 4.213 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC001173308870 1050402788 /nfs/dbraw/zinc/40/27/88/1050402788.db2.gz OBTWPEZONAZHSU-UHFFFAOYSA-N 1 0 342.252 4.192 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC001173307911 1050403832 /nfs/dbraw/zinc/40/38/32/1050403832.db2.gz ASLJGSFEYPFGLH-UHFFFAOYSA-N 1 0 342.252 4.192 20 30 EIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1CC[C@@H](CC)C1)CC2 ZINC001173276892 1050406811 /nfs/dbraw/zinc/40/68/11/1050406811.db2.gz ZDMOSEDLROEREY-MSOLQXFVSA-N 1 0 334.504 4.066 20 30 EIEDRO N#Cc1ccc(F)cc1S[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001186756616 1050407132 /nfs/dbraw/zinc/40/71/32/1050407132.db2.gz DKZWQEIHVRCLLD-GOSISDBHSA-N 1 0 326.440 4.454 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(n3ncc4ccccc43)CC2)CC1 ZINC001173326716 1050417505 /nfs/dbraw/zinc/41/75/05/1050417505.db2.gz OBDSJKGPPIJEQD-UHFFFAOYSA-N 1 0 339.483 4.187 20 30 EIEDRO C=CCOC1CCC([N@H+](CC)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001173326550 1050417674 /nfs/dbraw/zinc/41/76/74/1050417674.db2.gz JWMXGBGNCKFOHU-ORFBVSJDSA-N 1 0 342.527 4.097 20 30 EIEDRO C=CCOC1CCC([N@H+](CC)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001173326549 1050417829 /nfs/dbraw/zinc/41/78/29/1050417829.db2.gz JWMXGBGNCKFOHU-ATKRNPRHSA-N 1 0 342.527 4.097 20 30 EIEDRO CC[C@@H]([NH2+][C@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1 ZINC000618569070 1050418965 /nfs/dbraw/zinc/41/89/65/1050418965.db2.gz CZNKROVZTAXGFQ-NHCUHLMSSA-N 1 0 330.435 4.237 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173330025 1050419580 /nfs/dbraw/zinc/41/95/80/1050419580.db2.gz RRQDHBBLJCIYSC-KUPNBSADSA-N 1 0 349.519 4.132 20 30 EIEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CCC(CC#N)CC2)c1 ZINC001173328018 1050420088 /nfs/dbraw/zinc/42/00/88/1050420088.db2.gz MLRGBBHHHVUVAI-UHFFFAOYSA-N 1 0 328.456 4.204 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001173329224 1050420226 /nfs/dbraw/zinc/42/02/26/1050420226.db2.gz FKOKFRLHVGUIJH-UHFFFAOYSA-N 1 0 330.325 4.286 20 30 EIEDRO N#CCC1CCC([NH2+]CCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001173328512 1050420594 /nfs/dbraw/zinc/42/05/94/1050420594.db2.gz CJIMHMSJMYWIKN-UHFFFAOYSA-N 1 0 340.389 4.232 20 30 EIEDRO CC[C@@]1(C[NH2+]C2CCC(CC#N)CC2)CCCN1C(=O)OC(C)(C)C ZINC001173331220 1050421996 /nfs/dbraw/zinc/42/19/96/1050421996.db2.gz BAAZWCRHJVYFIP-UHYCVJNDSA-N 1 0 349.519 4.228 20 30 EIEDRO N#CCC1CCC([NH2+]CC2(Cc3ccc(F)cc3)CCOCC2)CC1 ZINC001173333632 1050422138 /nfs/dbraw/zinc/42/21/38/1050422138.db2.gz NXNIBJILGVIVRB-UHFFFAOYSA-N 1 0 344.474 4.227 20 30 EIEDRO N#CCC1CCC([N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001173333285 1050422389 /nfs/dbraw/zinc/42/23/89/1050422389.db2.gz MYPYTNRQVLXGCT-ULVUTOHESA-N 1 0 338.495 4.498 20 30 EIEDRO C[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCC(CC#N)CC1 ZINC001173336099 1050424878 /nfs/dbraw/zinc/42/48/78/1050424878.db2.gz NKFCMLTWYUCYSK-UHFFFAOYSA-N 1 0 349.519 4.038 20 30 EIEDRO N#CCC1CCC([NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC001173339077 1050427797 /nfs/dbraw/zinc/42/77/97/1050427797.db2.gz KXQIUHGUPKIVPM-UHFFFAOYSA-N 1 0 330.447 4.279 20 30 EIEDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CCC(CC#N)CC1 ZINC001173338902 1050428620 /nfs/dbraw/zinc/42/86/20/1050428620.db2.gz AZSHBUMLXPNQLU-UHFFFAOYSA-N 1 0 326.362 4.489 20 30 EIEDRO C=CCOC1CCC([NH2+][C@@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001173314227 1050438647 /nfs/dbraw/zinc/43/86/47/1050438647.db2.gz MPTHPGILDNEEOT-JCYILVPMSA-N 1 0 344.282 4.130 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001173319821 1050440550 /nfs/dbraw/zinc/44/05/50/1050440550.db2.gz XENBZQPSXUQCKH-QBKZBJQZSA-N 1 0 342.527 4.000 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2cc(C(F)(F)F)ccc2F)CC1 ZINC001173318557 1050440597 /nfs/dbraw/zinc/44/05/97/1050440597.db2.gz ZYSIPDFPCKNXJQ-UHFFFAOYSA-N 1 0 345.380 4.490 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cccc(OCC3CCC3)c2)CC1 ZINC001173318425 1050441827 /nfs/dbraw/zinc/44/18/27/1050441827.db2.gz UFQCVTQBJYAORV-UHFFFAOYSA-N 1 0 329.484 4.469 20 30 EIEDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)n(-c2ccccc2)n1 ZINC000182046428 1050445153 /nfs/dbraw/zinc/44/51/53/1050445153.db2.gz HQUZZGUUUVYJQK-FUHWJXTLSA-N 1 0 344.462 4.334 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c1 ZINC001178408770 1050463236 /nfs/dbraw/zinc/46/32/36/1050463236.db2.gz GRSQAMWFXOJDAD-QGZVFWFLSA-N 1 0 333.435 4.288 20 30 EIEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586821 1050492565 /nfs/dbraw/zinc/49/25/65/1050492565.db2.gz ICCXPSNEHIFEFK-YJBCQJRQSA-N 1 0 349.519 4.084 20 30 EIEDRO CC1(C#N)CCC(n2c3ccc(F)cc3c3c2C[C@H]([NH3+])CC3)CC1 ZINC001173591865 1050496775 /nfs/dbraw/zinc/49/67/75/1050496775.db2.gz VFIZVWLDMBMYKA-ZUIJCZDSSA-N 1 0 325.431 4.241 20 30 EIEDRO CC1(C#N)CCC([NH2+]C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC001173593026 1050497669 /nfs/dbraw/zinc/49/76/69/1050497669.db2.gz GPWBLDXXWGXAET-UHFFFAOYSA-N 1 0 325.500 4.103 20 30 EIEDRO COc1ccc(C(=O)C2CC[NH+](C3CCC(C)(C#N)CC3)CC2)cc1 ZINC001173599206 1050499881 /nfs/dbraw/zinc/49/98/81/1050499881.db2.gz IDPPMQCJBCWWQJ-UHFFFAOYSA-N 1 0 340.467 4.062 20 30 EIEDRO COc1ccc(C[C@@H]2CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)cc1 ZINC001173598966 1050500424 /nfs/dbraw/zinc/50/04/24/1050500424.db2.gz XFSRCHTYVPNMDL-JSOIOWGOSA-N 1 0 326.484 4.422 20 30 EIEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742703 1050500537 /nfs/dbraw/zinc/50/05/37/1050500537.db2.gz PUMNKMNGKVBLCN-HXUWFJFHSA-N 1 0 348.446 4.291 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618740999 1050501713 /nfs/dbraw/zinc/50/17/13/1050501713.db2.gz BGVKQZPDXJRZAF-LJQANCHMSA-N 1 0 336.435 4.133 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000618741203 1050501978 /nfs/dbraw/zinc/50/19/78/1050501978.db2.gz BNAJSCRKODIIOG-HXUWFJFHSA-N 1 0 348.837 4.174 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000182157646 1050516893 /nfs/dbraw/zinc/51/68/93/1050516893.db2.gz ZBRXSFZNQQLZFD-GESALYCCSA-N 1 0 328.362 4.017 20 30 EIEDRO N#CCC[N@@H+](C1CCN(CC(F)(F)F)CC1)C1CCCCCCC1 ZINC001173669625 1050523438 /nfs/dbraw/zinc/52/34/38/1050523438.db2.gz QOTKUZNVZHFEFT-UHFFFAOYSA-N 1 0 345.453 4.342 20 30 EIEDRO C[C@@H]1CC([NH2+]CCCCCCS)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173678051 1050527215 /nfs/dbraw/zinc/52/72/15/1050527215.db2.gz XMRXSEZTCWUUJE-HUUCEWRRSA-N 1 0 344.565 4.243 20 30 EIEDRO C=CCCCCCC[NH2+]C1CCN(C(=O)c2ccccc2C)CC1 ZINC001178688326 1050532132 /nfs/dbraw/zinc/53/21/32/1050532132.db2.gz HOXBFYIFWLJULJ-UHFFFAOYSA-N 1 0 328.500 4.326 20 30 EIEDRO C=CC(C)(C)C[NH2+]Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001178736970 1050539947 /nfs/dbraw/zinc/53/99/47/1050539947.db2.gz LCQZTCADVZTUKA-UHFFFAOYSA-N 1 0 344.499 4.282 20 30 EIEDRO Cc1cc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)ccc1C#N ZINC000775119112 1050543129 /nfs/dbraw/zinc/54/31/29/1050543129.db2.gz CZPNERUZEPPVQY-UHFFFAOYSA-N 1 0 340.854 4.004 20 30 EIEDRO N#CC1(C[NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CCC1 ZINC001173700265 1050545397 /nfs/dbraw/zinc/54/53/97/1050545397.db2.gz GWSJGAWHLNTAOT-OAQYLSRUSA-N 1 0 346.474 4.406 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618831484 1050546147 /nfs/dbraw/zinc/54/61/47/1050546147.db2.gz UBQGJAFUEQFYGQ-XOBRGWDASA-N 1 0 338.426 4.162 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH+]3CCC(S)CC3)CC2)cc1 ZINC001173788925 1050570496 /nfs/dbraw/zinc/57/04/96/1050570496.db2.gz CKNMZVKPHFZEDV-UHFFFAOYSA-N 1 0 333.497 4.032 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC001178852778 1050573164 /nfs/dbraw/zinc/57/31/64/1050573164.db2.gz YJBKFUGJZXUIDQ-YFVAEKQCSA-N 1 0 330.516 4.411 20 30 EIEDRO C[NH+]1CCN(c2ccc(Nc3cccc4ccccc43)cc2C#N)CC1 ZINC001173796197 1050574245 /nfs/dbraw/zinc/57/42/45/1050574245.db2.gz GSMIMUODEUTNDV-UHFFFAOYSA-N 1 0 342.446 4.207 20 30 EIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000775132701 1050579154 /nfs/dbraw/zinc/57/91/54/1050579154.db2.gz AYQFIUMTXKSEDQ-WOJBJXKFSA-N 1 0 340.442 4.498 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@]2(CC)OCCc3ccccc32)c1 ZINC001178859977 1050579823 /nfs/dbraw/zinc/57/98/23/1050579823.db2.gz OKUPJUPWQVYNTG-QFIPXVFZSA-N 1 0 337.463 4.219 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(OC)c(OC)cc1F ZINC001178939314 1050592916 /nfs/dbraw/zinc/59/29/16/1050592916.db2.gz BAFZSKCZYDYEBD-KRWDZBQOSA-N 1 0 329.415 4.120 20 30 EIEDRO C=CCOCCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001179169207 1050647788 /nfs/dbraw/zinc/64/77/88/1050647788.db2.gz SVJJYWFTKVBSNH-UHFFFAOYSA-N 1 0 341.295 4.407 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cc1OC ZINC001179169003 1050647797 /nfs/dbraw/zinc/64/77/97/1050647797.db2.gz OYHJHXYXVKPMMT-HRCADAONSA-N 1 0 335.875 4.439 20 30 EIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC001179222323 1050652452 /nfs/dbraw/zinc/65/24/52/1050652452.db2.gz GULNOYWLGLECTO-OAHLLOKOSA-N 1 0 349.297 4.493 20 30 EIEDRO C=CCCC(C)(C)[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC001179232640 1050655939 /nfs/dbraw/zinc/65/59/39/1050655939.db2.gz KZNBTLACEVWUQK-UHFFFAOYSA-N 1 0 336.277 4.240 20 30 EIEDRO Cc1cc(C)c(C[NH2+]C2CCN(c3ccccc3C#N)CC2)c(C)c1 ZINC001179304784 1050666520 /nfs/dbraw/zinc/66/65/20/1050666520.db2.gz TWNULDKVEJKTSK-UHFFFAOYSA-N 1 0 333.479 4.242 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)CC(C)(C)C1 ZINC001179304737 1050666967 /nfs/dbraw/zinc/66/69/67/1050666967.db2.gz RIRUBGGIMVIARA-LPHOPBHVSA-N 1 0 325.500 4.331 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001179375692 1050683891 /nfs/dbraw/zinc/68/38/91/1050683891.db2.gz DIHQMKHYMNKCTL-QTMHVTGLSA-N 1 0 348.531 4.499 20 30 EIEDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001179419621 1050695463 /nfs/dbraw/zinc/69/54/63/1050695463.db2.gz PQEVSKFIFGFZMD-QFIPXVFZSA-N 1 0 347.506 4.442 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1sccc1Br ZINC001179453660 1050698567 /nfs/dbraw/zinc/69/85/67/1050698567.db2.gz MOQMPTVSGUOBGZ-UHFFFAOYSA-N 1 0 349.297 4.331 20 30 EIEDRO Cc1c(Br)cccc1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001179562659 1050715234 /nfs/dbraw/zinc/71/52/34/1050715234.db2.gz KVQMOQLETFYQHZ-UHFFFAOYSA-N 1 0 335.289 4.362 20 30 EIEDRO CC[NH+]1CCN(c2ccc(N[C@H](C)c3cccc(C#N)c3)c(C)c2)CC1 ZINC000182565347 1050747207 /nfs/dbraw/zinc/74/72/07/1050747207.db2.gz DRYALQLAAPAWHL-GOSISDBHSA-N 1 0 348.494 4.182 20 30 EIEDRO C=CC(C)(C)[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001179758749 1050775579 /nfs/dbraw/zinc/77/55/79/1050775579.db2.gz MEJIVJOCWLXMHF-UHFFFAOYSA-N 1 0 330.472 4.034 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21)c1cccc(C#N)c1 ZINC000619465696 1050789682 /nfs/dbraw/zinc/78/96/82/1050789682.db2.gz NLXGNFWZYZGGKB-HRAATJIYSA-N 1 0 342.446 4.472 20 30 EIEDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508363 1050793553 /nfs/dbraw/zinc/79/35/53/1050793553.db2.gz JKQKXLUMLUOUDL-PMACEKPBSA-N 1 0 348.446 4.448 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000619508149 1050797135 /nfs/dbraw/zinc/79/71/35/1050797135.db2.gz NCSPFLMZQXHTDD-QRWLVFNGSA-N 1 0 348.446 4.448 20 30 EIEDRO C#Cc1ccc(C[N@H+](CCC)CC(=O)Nc2ccc(Cl)cc2)cc1 ZINC001179892755 1050804641 /nfs/dbraw/zinc/80/46/41/1050804641.db2.gz RBMOQPMXYJHDHO-UHFFFAOYSA-N 1 0 340.854 4.172 20 30 EIEDRO C#Cc1ccc(C[N@H+](CCc2ccc(C)cc2)C[C@@H]2CCCO2)cc1 ZINC001179878794 1050815477 /nfs/dbraw/zinc/81/54/77/1050815477.db2.gz SIOYXACKQFLNCF-QHCPKHFHSA-N 1 0 333.475 4.200 20 30 EIEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000619620246 1050841036 /nfs/dbraw/zinc/84/10/36/1050841036.db2.gz MNAGSGLHQXNCOP-IBGZPJMESA-N 1 0 342.483 4.323 20 30 EIEDRO C=CCN(Cc1ccc(OC)cc1)Cc1c(F)cccc1OCC ZINC001179966824 1050850176 /nfs/dbraw/zinc/85/01/76/1050850176.db2.gz UVIIAWZKANTPIN-UHFFFAOYSA-N 1 0 329.415 4.421 20 30 EIEDRO COc1ccc(C([NH2+][C@H]2CC[C@@H](C#N)C2)c2ccc(OC)cc2)cc1 ZINC000619672385 1050851764 /nfs/dbraw/zinc/85/17/64/1050851764.db2.gz NPVNQARBWAUHIJ-QAPCUYQASA-N 1 0 336.435 4.075 20 30 EIEDRO C#CC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1CCCCC1 ZINC001180029872 1050857859 /nfs/dbraw/zinc/85/78/59/1050857859.db2.gz GSCZOHSZIWEBHG-QGZVFWFLSA-N 1 0 336.520 4.051 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(-n2ccnc2)cc1 ZINC000619754577 1050882536 /nfs/dbraw/zinc/88/25/36/1050882536.db2.gz DSKRKHOJJHIWIK-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO C#CC[N@@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)CC1CC1 ZINC001180117136 1050890162 /nfs/dbraw/zinc/89/01/62/1050890162.db2.gz SDENBSDSXRJMQL-UHFFFAOYSA-N 1 0 330.475 4.095 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1Cl ZINC000619748521 1050893815 /nfs/dbraw/zinc/89/38/15/1050893815.db2.gz NHNZTMYRBFMBFQ-UHFFFAOYSA-N 1 0 335.632 4.264 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1Cl ZINC000619749081 1050896331 /nfs/dbraw/zinc/89/63/31/1050896331.db2.gz CZJBFONIPGRTQS-UHFFFAOYSA-N 1 0 335.632 4.264 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1 ZINC000619749000 1050896791 /nfs/dbraw/zinc/89/67/91/1050896791.db2.gz VUBZYYHOPKTBQI-DNVCBOLYSA-N 1 0 339.870 4.137 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000182935384 1050910136 /nfs/dbraw/zinc/91/01/36/1050910136.db2.gz MLXQQSONUQNXQB-GJZGRUSLSA-N 1 0 339.439 4.063 20 30 EIEDRO CCC[C@@]1(C)CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC001180203681 1050913198 /nfs/dbraw/zinc/91/31/98/1050913198.db2.gz XHKKZOWDMWSREC-NRFANRHFSA-N 1 0 336.483 4.361 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000619822888 1050920435 /nfs/dbraw/zinc/92/04/35/1050920435.db2.gz YZTJHQCUAJYPPO-SRCQZFHVSA-N 1 0 333.273 4.498 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@]2(O)CCCC(C)(C)CC2)cc1 ZINC001203362743 1050992569 /nfs/dbraw/zinc/99/25/69/1050992569.db2.gz FUVORKUBJMASDT-NRFANRHFSA-N 1 0 328.500 4.299 20 30 EIEDRO CCOc1cc(C)ccc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000153443615 1051044911 /nfs/dbraw/zinc/04/49/11/1051044911.db2.gz VTGRDESZABQUQU-UHFFFAOYSA-N 1 0 338.451 4.366 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)ccc1OC ZINC000775306826 1051053678 /nfs/dbraw/zinc/05/36/78/1051053678.db2.gz YIHCPQRVUWHNKB-BHIYHBOVSA-N 1 0 342.483 4.458 20 30 EIEDRO CC(C)[C@H]1C[N@H+](CC2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC001174574743 1051059886 /nfs/dbraw/zinc/05/98/86/1051059886.db2.gz NIKBTWJRKBOQOD-KITAHSCOSA-N 1 0 339.527 4.159 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1cccc(C#N)c1 ZINC000775337222 1051094594 /nfs/dbraw/zinc/09/45/94/1051094594.db2.gz CJVNAUBZTFYSNG-OAHLLOKOSA-N 1 0 329.403 4.001 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000763620100 1051134452 /nfs/dbraw/zinc/13/44/52/1051134452.db2.gz DWIALVCPFFQZKJ-UHFFFAOYSA-N 1 0 345.849 4.461 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CCCCC)cc1 ZINC001174781012 1051173300 /nfs/dbraw/zinc/17/33/00/1051173300.db2.gz SUXDLOLOFMRSRD-HXUWFJFHSA-N 1 0 326.484 4.431 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CCCCC)cc1 ZINC001174781011 1051173550 /nfs/dbraw/zinc/17/35/50/1051173550.db2.gz SUXDLOLOFMRSRD-FQEVSTJZSA-N 1 0 326.484 4.431 20 30 EIEDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)ccc21 ZINC000775383010 1051175010 /nfs/dbraw/zinc/17/50/10/1051175010.db2.gz SPOIJJFQIGZLIL-OAQYLSRUSA-N 1 0 331.463 4.108 20 30 EIEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC001181163611 1051183521 /nfs/dbraw/zinc/18/35/21/1051183521.db2.gz SCZVOWPSQVRCOQ-IRXDYDNUSA-N 1 0 332.875 4.428 20 30 EIEDRO C#CCC[N@@H+](CCOC)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC001174846510 1051208393 /nfs/dbraw/zinc/20/83/93/1051208393.db2.gz VXUOPIWKOJYESN-UHFFFAOYSA-N 1 0 345.389 4.229 20 30 EIEDRO CC(C)C[N@H+](CCN1CCCc2ccccc21)Cc1ccc(C#N)cc1 ZINC001190616704 1051220830 /nfs/dbraw/zinc/22/08/30/1051220830.db2.gz QIRGZWJXDDYESB-UHFFFAOYSA-N 1 0 347.506 4.469 20 30 EIEDRO CC(C)(C)[PH+](CCCNC(=O)c1ccc(C#N)cn1)C(C)(C)C ZINC001190601064 1051230089 /nfs/dbraw/zinc/23/00/89/1051230089.db2.gz ZXYOARWKANEOSS-UHFFFAOYSA-N 1 0 333.416 4.152 20 30 EIEDRO C#CC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775399876 1051230797 /nfs/dbraw/zinc/23/07/97/1051230797.db2.gz KSXZJFVCGAQXCS-IBGZPJMESA-N 1 0 327.349 4.411 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cc(=O)oc2cc(CC)ccc12)c1ccccc1 ZINC000775399875 1051231216 /nfs/dbraw/zinc/23/12/16/1051231216.db2.gz VOMKKUKIXCPEQJ-HXUWFJFHSA-N 1 0 331.415 4.210 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000153870434 1051237859 /nfs/dbraw/zinc/23/78/59/1051237859.db2.gz BACBNOFWBRMBPY-SFHVURJKSA-N 1 0 346.352 4.169 20 30 EIEDRO CN(C)CC[N@H+](CCCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC001181564383 1051259836 /nfs/dbraw/zinc/25/98/36/1051259836.db2.gz LXZCZFCGEUOKME-UHFFFAOYSA-N 1 0 327.516 4.282 20 30 EIEDRO C=CCOc1ccc(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC001181686428 1051268275 /nfs/dbraw/zinc/26/82/75/1051268275.db2.gz HAFMNSJQSACXQI-PGRDOPGGSA-N 1 0 342.527 4.384 20 30 EIEDRO C=C(C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)c1ccccc1 ZINC000620757029 1051274494 /nfs/dbraw/zinc/27/44/94/1051274494.db2.gz ZBZZITHUKZHMJK-UHFFFAOYSA-N 1 0 337.854 4.388 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CCc2ccc(OC)cc2)cc1 ZINC000620761278 1051280077 /nfs/dbraw/zinc/28/00/77/1051280077.db2.gz UIUSWVNBWCTDIG-QGZVFWFLSA-N 1 0 325.452 4.371 20 30 EIEDRO C[C@@H](O)C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC001190855568 1051291581 /nfs/dbraw/zinc/29/15/81/1051291581.db2.gz TVDSZRIBJJSALL-OAHLLOKOSA-N 1 0 339.401 4.072 20 30 EIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001190936424 1051305332 /nfs/dbraw/zinc/30/53/32/1051305332.db2.gz XFKFLWCHOQYOOO-JOCHJYFZSA-N 1 0 334.463 4.381 20 30 EIEDRO C[C@]1(c2ccccc2)CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC001190936428 1051306245 /nfs/dbraw/zinc/30/62/45/1051306245.db2.gz XFKFLWCHOQYOOO-QFIPXVFZSA-N 1 0 334.463 4.381 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000775424968 1051312515 /nfs/dbraw/zinc/31/25/15/1051312515.db2.gz VPVJDTDCDYXCOD-OALUTQOASA-N 1 0 344.817 4.051 20 30 EIEDRO CCCCCCCNC(=O)NCC1CC[NH+](CC(C)(C)C)CC1 ZINC001191123078 1051358575 /nfs/dbraw/zinc/35/85/75/1051358575.db2.gz IECHTGBAQBTSPQ-UHFFFAOYSA-N 1 0 325.541 4.014 20 30 EIEDRO CCC1([NH+]2CCCC2)CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC001175156262 1051385888 /nfs/dbraw/zinc/38/58/88/1051385888.db2.gz ORLZCNYURDVVQX-UHFFFAOYSA-N 1 0 331.891 4.052 20 30 EIEDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001191182135 1051390426 /nfs/dbraw/zinc/39/04/26/1051390426.db2.gz PFYZEJJWVKKELB-MRXNPFEDSA-N 1 0 326.827 4.210 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)ccc1Cl ZINC001191193192 1051393663 /nfs/dbraw/zinc/39/36/63/1051393663.db2.gz JZBVAVNUKHOTSU-GDBMZVCRSA-N 1 0 347.890 4.016 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCOc2ccc(C)cc2C)cc1OC ZINC000620879449 1051411822 /nfs/dbraw/zinc/41/18/22/1051411822.db2.gz DRJJYYSFMSYPES-UHFFFAOYSA-N 1 0 341.451 4.045 20 30 EIEDRO Cc1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)ccc1OC(C)C ZINC001175191398 1051416642 /nfs/dbraw/zinc/41/66/42/1051416642.db2.gz BJEIHTMKENOFHF-UHFFFAOYSA-N 1 0 341.480 4.447 20 30 EIEDRO CC(C)[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000775451246 1051423139 /nfs/dbraw/zinc/42/31/39/1051423139.db2.gz ZNSMSDCZSMSFHM-SFHVURJKSA-N 1 0 332.369 4.439 20 30 EIEDRO CCCC[N@H+](CC)[C@H](C(=O)N[C@H](C#N)c1ccccc1)c1ccccc1 ZINC001182230826 1051429197 /nfs/dbraw/zinc/42/91/97/1051429197.db2.gz FFIRQFUUOBAROG-RTWAWAEBSA-N 1 0 349.478 4.231 20 30 EIEDRO CCCC[N@H+](CC)[C@H](C(=O)N[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC001182230827 1051430266 /nfs/dbraw/zinc/43/02/66/1051430266.db2.gz FFIRQFUUOBAROG-SFTDATJTSA-N 1 0 349.478 4.231 20 30 EIEDRO CCCC[N@H+](CC)[C@H](C(=O)Nc1occ(C)c1C#N)c1ccccc1 ZINC001182231593 1051430454 /nfs/dbraw/zinc/43/04/54/1051430454.db2.gz KIAFDHXUOPGFLK-SFHVURJKSA-N 1 0 339.439 4.262 20 30 EIEDRO N#CCC[N@@H+](CCCCOc1ccccc1C(F)(F)F)CC1CC1 ZINC001191367868 1051444378 /nfs/dbraw/zinc/44/43/78/1051444378.db2.gz VGUGDVNRNUZZFI-UHFFFAOYSA-N 1 0 340.389 4.490 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1 ZINC000775464546 1051489792 /nfs/dbraw/zinc/48/97/92/1051489792.db2.gz SVUHZJFNQDTPRT-PMACEKPBSA-N 1 0 336.435 4.309 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1 ZINC000775464552 1051489981 /nfs/dbraw/zinc/48/99/81/1051489981.db2.gz SVUHZJFNQDTPRT-VQTJNVASSA-N 1 0 336.435 4.309 20 30 EIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000156070327 1051489980 /nfs/dbraw/zinc/48/99/80/1051489980.db2.gz DUKGRJVMVDCXNX-KGLIPLIRSA-N 1 0 341.421 4.260 20 30 EIEDRO C#CCCCCCC(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001175254519 1051494131 /nfs/dbraw/zinc/49/41/31/1051494131.db2.gz AQGLMEWEOQYMOT-OAQYLSRUSA-N 1 0 340.511 4.083 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)c1 ZINC000774241248 1051513890 /nfs/dbraw/zinc/51/38/90/1051513890.db2.gz BBVGNEAFDUCQAJ-TZIWHRDSSA-N 1 0 333.435 4.480 20 30 EIEDRO C=C(C)COc1cc(CNc2cccc(C[NH+](C)C)c2)ccc1OC ZINC000156521060 1051538816 /nfs/dbraw/zinc/53/88/16/1051538816.db2.gz CMTYRUWFBCFIOF-UHFFFAOYSA-N 1 0 340.467 4.324 20 30 EIEDRO CC(=O)c1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001175363839 1051552978 /nfs/dbraw/zinc/55/29/78/1051552978.db2.gz OJXKIRWXRCZFSF-UHFFFAOYSA-N 1 0 333.435 4.490 20 30 EIEDRO CC[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CCC1)c1ccc(C#N)cc1 ZINC000774355627 1051573998 /nfs/dbraw/zinc/57/39/98/1051573998.db2.gz VLAJONSHOVKBOR-KRWDZBQOSA-N 1 0 343.471 4.046 20 30 EIEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000156970511 1051586182 /nfs/dbraw/zinc/58/61/82/1051586182.db2.gz PPTGXUYRVDQLOK-QGZVFWFLSA-N 1 0 345.512 4.141 20 30 EIEDRO C[N@H+](C[C@H](O)c1cccc(C#N)c1)C1c2ccccc2-c2ccccc21 ZINC001191996360 1051600190 /nfs/dbraw/zinc/60/01/90/1051600190.db2.gz BJSCUBIPVJIPJJ-QFIPXVFZSA-N 1 0 340.426 4.293 20 30 EIEDRO Cc1cccc(C2([NH2+]CCC(=O)Nc3ccccc3C#N)CCCC2)c1 ZINC001192147874 1051638966 /nfs/dbraw/zinc/63/89/66/1051638966.db2.gz CWWJATYNJPTIGW-UHFFFAOYSA-N 1 0 347.462 4.254 20 30 EIEDRO N#CCC1(CN2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC001192183658 1051662645 /nfs/dbraw/zinc/66/26/45/1051662645.db2.gz LCPMFVWCXJIRJC-UHFFFAOYSA-N 1 0 337.511 4.201 20 30 EIEDRO C=CC[C@@H](C)[NH+]1CCC([C@@H]2N(C(=O)OC(C)(C)C)CC23CCC3)CC1 ZINC001175651896 1051693518 /nfs/dbraw/zinc/69/35/18/1051693518.db2.gz PVWQVSBSQGETEA-AEFFLSMTSA-N 1 0 348.531 4.453 20 30 EIEDRO Cc1ncc(C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C)cc1C#N ZINC001192301845 1051697010 /nfs/dbraw/zinc/69/70/10/1051697010.db2.gz ZOADLURGIAAQCM-UHFFFAOYSA-N 1 0 347.443 4.461 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cn2)c1 ZINC000775523696 1051701905 /nfs/dbraw/zinc/70/19/05/1051701905.db2.gz LKUJSWXNPIYZTR-CZUORRHYSA-N 1 0 329.831 4.267 20 30 EIEDRO Cc1ccc(Br)c(F)c1CN1CCC[C@H](CC#N)C1 ZINC001182854202 1051723934 /nfs/dbraw/zinc/72/39/34/1051723934.db2.gz GNCWTJZYFQXIPE-GFCCVEGCSA-N 1 0 325.225 4.022 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774556339 1051725023 /nfs/dbraw/zinc/72/50/23/1051725023.db2.gz RRZJVECEQMLETL-LJQANCHMSA-N 1 0 328.843 4.157 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc(Br)cnc1OC ZINC001182929609 1051754649 /nfs/dbraw/zinc/75/46/49/1051754649.db2.gz CVHOBAHJEHRBKP-ZDUSSCGKSA-N 1 0 341.293 4.467 20 30 EIEDRO C#CCCCCCC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001192585682 1051772473 /nfs/dbraw/zinc/77/24/73/1051772473.db2.gz ZNFATJPMVAXJBD-UHFFFAOYSA-N 1 0 325.452 4.131 20 30 EIEDRO C#Cc1ccc(C[N@H+]2CC[C@H](c3cc(C)c(Cl)cc3O)C2)cc1 ZINC001183024862 1051773398 /nfs/dbraw/zinc/77/33/98/1051773398.db2.gz QCRCQPHVHHDUHB-KRWDZBQOSA-N 1 0 325.839 4.325 20 30 EIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001192614925 1051778892 /nfs/dbraw/zinc/77/88/92/1051778892.db2.gz DMRRRRYHXZSUTI-HOLAOCEGSA-N 1 0 340.854 4.232 20 30 EIEDRO COC(=O)C(C)(C)[C@H]([NH2+]CCCCC1(C#N)CCC1)c1ccccc1 ZINC001192634497 1051785890 /nfs/dbraw/zinc/78/58/90/1051785890.db2.gz CYLOSPQQJREOAQ-GOSISDBHSA-N 1 0 342.483 4.381 20 30 EIEDRO Fc1ccc([C@H](CC(F)(F)F)[NH2+]CCCOC(F)(F)F)cc1 ZINC001192681971 1051789822 /nfs/dbraw/zinc/78/98/22/1051789822.db2.gz SCMYRWRNYJBVGX-NSHDSACASA-N 1 0 333.247 4.335 20 30 EIEDRO CC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC001192681059 1051789910 /nfs/dbraw/zinc/78/99/10/1051789910.db2.gz CXENOPBLYUYYGQ-SFHVURJKSA-N 1 0 341.838 4.204 20 30 EIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000775549310 1051812095 /nfs/dbraw/zinc/81/20/95/1051812095.db2.gz KKZGNRCAPPSBDV-SFHVURJKSA-N 1 0 349.478 4.278 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)cc1 ZINC001192831741 1051816427 /nfs/dbraw/zinc/81/64/27/1051816427.db2.gz DSZDXYHSEPPGLV-ZDUSSCGKSA-N 1 0 344.817 4.140 20 30 EIEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC001193011039 1051851875 /nfs/dbraw/zinc/85/18/75/1051851875.db2.gz FMRPSONMATVZAI-LJQANCHMSA-N 1 0 349.865 4.206 20 30 EIEDRO CC[C@@H]1CN([C@@H](C)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001193210572 1051887288 /nfs/dbraw/zinc/88/72/88/1051887288.db2.gz OIECMCVOJNRYAL-PGRDOPGGSA-N 1 0 333.479 4.216 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cc2ccccc2s1 ZINC000184352417 1051915224 /nfs/dbraw/zinc/91/52/24/1051915224.db2.gz NGOXPLNJNITUBR-KGLIPLIRSA-N 1 0 349.459 4.451 20 30 EIEDRO N#Cc1ncc(Nc2cccc(C[NH+]3CCCC3)c2)cc1C(F)(F)F ZINC001176195914 1051939145 /nfs/dbraw/zinc/93/91/45/1051939145.db2.gz LPJLYMLSHMKUDT-UHFFFAOYSA-N 1 0 346.356 4.311 20 30 EIEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCCC2(CCCC2)C1 ZINC001193517409 1051942616 /nfs/dbraw/zinc/94/26/16/1051942616.db2.gz SETMDJBJTOKXIN-CQSZACIVSA-N 1 0 345.874 4.195 20 30 EIEDRO CC(C)[C@H](C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044982 1051943448 /nfs/dbraw/zinc/94/34/48/1051943448.db2.gz GTAJJGDUYHNBIX-FCHUYYIVSA-N 1 0 334.463 4.371 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCCC[C@@H]2C)ccc1Cl ZINC001193575735 1051948337 /nfs/dbraw/zinc/94/83/37/1051948337.db2.gz UFUPDYUPGNNZBZ-INIZCTEOSA-N 1 0 347.890 4.160 20 30 EIEDRO C#CC[N@H+](Cc1ccc(Br)c2cccnc12)C(C)(C)C ZINC001176281719 1051974220 /nfs/dbraw/zinc/97/42/20/1051974220.db2.gz PFRVMKMWBOQMPN-UHFFFAOYSA-N 1 0 331.257 4.231 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1nc(-c2ccccc2)cs1 ZINC000184528502 1052039351 /nfs/dbraw/zinc/03/93/51/1052039351.db2.gz IYAMXASJMOFIBI-HNNXBMFYSA-N 1 0 349.459 4.411 20 30 EIEDRO CCCCCCCOC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC001194009196 1052048132 /nfs/dbraw/zinc/04/81/32/1052048132.db2.gz RGVLXFTYPZTRRW-UHFFFAOYSA-N 1 0 347.503 4.266 20 30 EIEDRO CC(C)(CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1)C1CC1 ZINC001193991482 1052054051 /nfs/dbraw/zinc/05/40/51/1052054051.db2.gz VDHVONWUCIXJQB-LJQANCHMSA-N 1 0 345.918 4.349 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCCC12CCOCC2 ZINC001194270494 1052123653 /nfs/dbraw/zinc/12/36/53/1052123653.db2.gz XTSBQHFYDCTLAT-FQEVSTJZSA-N 1 0 345.531 4.439 20 30 EIEDRO C=CCn1cc(Nc2cccc3c2C[N@H+](C)C[C@@H]3c2ccccc2)cn1 ZINC001176550634 1052129713 /nfs/dbraw/zinc/12/97/13/1052129713.db2.gz RFRFFVQULQPWGA-HXUWFJFHSA-N 1 0 344.462 4.390 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@]2(C)CCCc3ccccc32)cc1 ZINC000774827569 1052164921 /nfs/dbraw/zinc/16/49/21/1052164921.db2.gz PCHMKRHHXJEHNM-JTSKRJEESA-N 1 0 334.463 4.361 20 30 EIEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001176798001 1052195005 /nfs/dbraw/zinc/19/50/05/1052195005.db2.gz JHLAZQRXDBZNMX-AWEZNQCLSA-N 1 0 342.439 4.251 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000172380451 1052494038 /nfs/dbraw/zinc/49/40/38/1052494038.db2.gz YJJYHQQDNQHHDE-UHFFFAOYSA-N 1 0 335.536 4.029 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCC(F)(F)F)cc1OC ZINC000623437159 1052653132 /nfs/dbraw/zinc/65/31/32/1052653132.db2.gz UGKUTRBEQFFSAP-UHFFFAOYSA-N 1 0 337.769 4.346 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)CC(F)F)cc1OC ZINC000623556464 1052678979 /nfs/dbraw/zinc/67/89/79/1052678979.db2.gz IHWRUOHOYXKWOU-NSHDSACASA-N 1 0 333.806 4.294 20 30 EIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000623592576 1052685452 /nfs/dbraw/zinc/68/54/52/1052685452.db2.gz SKWMCGNVSZBJJS-UHFFFAOYSA-N 1 0 340.467 4.361 20 30 EIEDRO CC1CC[NH+](Cc2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)CC1 ZINC000921504602 1052763428 /nfs/dbraw/zinc/76/34/28/1052763428.db2.gz VBFSCEMCZXEJMN-UHFFFAOYSA-N 1 0 339.508 4.141 20 30 EIEDRO C=CCC[C@H](C)[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000186031214 1052854607 /nfs/dbraw/zinc/85/46/07/1052854607.db2.gz OPCJVJGGDOYFRH-ZDUSSCGKSA-N 1 0 339.277 4.030 20 30 EIEDRO C=C(C)COc1cc(C[N@H+](C)[C@@H](C)c2ccncc2)ccc1OC ZINC000183705670 1052981008 /nfs/dbraw/zinc/98/10/08/1052981008.db2.gz XORFAEZRJDSOHI-INIZCTEOSA-N 1 0 326.440 4.238 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184794148 1053006945 /nfs/dbraw/zinc/00/69/45/1053006945.db2.gz LYGNZJJWYWCTCE-CJNGLKHVSA-N 1 0 346.496 4.105 20 30 EIEDRO C=CCC[C@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000185024854 1053011252 /nfs/dbraw/zinc/01/12/52/1053011252.db2.gz ZNBRIXUBNNUEQU-ZDUSSCGKSA-N 1 0 327.394 4.014 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(OC(F)F)c2)c1 ZINC000733800078 1053049705 /nfs/dbraw/zinc/04/97/05/1053049705.db2.gz GFWBWUXGSHYFQH-INIZCTEOSA-N 1 0 346.377 4.259 20 30 EIEDRO CCCCCCCCOC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001194735657 1053076967 /nfs/dbraw/zinc/07/69/67/1053076967.db2.gz VIPABEVMPXDNTB-UHFFFAOYSA-N 1 0 336.480 4.059 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001194754685 1053092923 /nfs/dbraw/zinc/09/29/23/1053092923.db2.gz JHSLZUAUPPJJJY-UHFFFAOYSA-N 1 0 344.817 4.178 20 30 EIEDRO C[C@@H](C[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H](C)CO)c1ccccc1 ZINC001194755007 1053093156 /nfs/dbraw/zinc/09/31/56/1053093156.db2.gz MNLLPOLVSDXIGY-HOTGVXAUSA-N 1 0 342.870 4.198 20 30 EIEDRO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001194754627 1053093849 /nfs/dbraw/zinc/09/38/49/1053093849.db2.gz HKQMZKKGOMIINB-KRWDZBQOSA-N 1 0 329.463 4.200 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H](O)c1ccccc1 ZINC000850280868 1053103435 /nfs/dbraw/zinc/10/34/35/1053103435.db2.gz KOZRSFQQOVKJEU-NHCUHLMSSA-N 1 0 334.463 4.090 20 30 EIEDRO CCC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H](O)c1ccccc1 ZINC000850282079 1053105873 /nfs/dbraw/zinc/10/58/73/1053105873.db2.gz RTTPCNYLWLAMLM-LEWJYISDSA-N 1 0 334.463 4.234 20 30 EIEDRO C=C(CC)C[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC001194816601 1053111604 /nfs/dbraw/zinc/11/16/04/1053111604.db2.gz AWDDSWJYJNJXIJ-HNNXBMFYSA-N 1 0 335.797 4.074 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@H](O)c3cccc4ccccc43)cc2)CC1 ZINC000850360716 1053133414 /nfs/dbraw/zinc/13/34/14/1053133414.db2.gz NUGMGSOLHOOALU-QFIPXVFZSA-N 1 0 342.442 4.218 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000850399684 1053169884 /nfs/dbraw/zinc/16/98/84/1053169884.db2.gz ONJLKQSOLYPSLH-NRAUKZCXSA-N 1 0 327.255 4.089 20 30 EIEDRO COc1cccc(C2([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CCC2)c1 ZINC000850404594 1053177276 /nfs/dbraw/zinc/17/72/76/1053177276.db2.gz BFWCNINTESKPBS-MRXNPFEDSA-N 1 0 336.435 4.155 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)cs1)[C@H](O)c1ccc(Cl)cc1 ZINC000850412256 1053179358 /nfs/dbraw/zinc/17/93/58/1053179358.db2.gz CIOQMAQWEXDXFO-DLBZAZTESA-N 1 0 334.872 4.121 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1 ZINC000764563647 1053199462 /nfs/dbraw/zinc/19/94/62/1053199462.db2.gz JXZTWEIDQDKLOT-YJBOKZPZSA-N 1 0 348.874 4.364 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1cncc(Br)c1)c1ccncc1 ZINC000850435409 1053213079 /nfs/dbraw/zinc/21/30/79/1053213079.db2.gz NLQFDEGVYAHQKK-WBMJQRKESA-N 1 0 332.245 4.207 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000794665356 1053238700 /nfs/dbraw/zinc/23/87/00/1053238700.db2.gz XGNYCEBVAKYAST-WBMJQRKESA-N 1 0 343.389 4.292 20 30 EIEDRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000850463728 1053239358 /nfs/dbraw/zinc/23/93/58/1053239358.db2.gz XFACXDOPWOLDSL-INIZCTEOSA-N 1 0 333.357 4.083 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000383089748 1053293849 /nfs/dbraw/zinc/29/38/49/1053293849.db2.gz QCYFRCYIXLEZIZ-LJQANCHMSA-N 1 0 327.516 4.303 20 30 EIEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(N2CCCOC2=O)cc1 ZINC000850549207 1053307940 /nfs/dbraw/zinc/30/79/40/1053307940.db2.gz FDTNTKYSEHFNDM-INIZCTEOSA-N 1 0 341.455 4.158 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850567436 1053322440 /nfs/dbraw/zinc/32/24/40/1053322440.db2.gz BZICTLBQSPQGJD-GOSISDBHSA-N 1 0 330.516 4.262 20 30 EIEDRO CC1(c2ccccc2)CC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000552056832 1053371378 /nfs/dbraw/zinc/37/13/78/1053371378.db2.gz VCJCDILNWHHMRO-UHFFFAOYSA-N 1 0 345.490 4.237 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2F)cc1 ZINC000776498136 1053374622 /nfs/dbraw/zinc/37/46/22/1053374622.db2.gz GVUVPBOWOANLMC-IIBYNOLFSA-N 1 0 341.426 4.094 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccccc1 ZINC000794815710 1053426379 /nfs/dbraw/zinc/42/63/79/1053426379.db2.gz KYUHYHAOIFDXCT-CXAGYDPISA-N 1 0 329.241 4.259 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC001195568829 1053436090 /nfs/dbraw/zinc/43/60/90/1053436090.db2.gz SDHJOTMYZSVJAW-GOSISDBHSA-N 1 0 348.446 4.153 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCC(=O)O1)c1ccc(C(F)(F)F)cc1 ZINC000851905719 1053531140 /nfs/dbraw/zinc/53/11/40/1053531140.db2.gz NZWFZHZXKYOAJX-HUUCEWRRSA-N 1 0 327.346 4.008 20 30 EIEDRO C=C(C[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1)c1ccccc1 ZINC000765414865 1053538484 /nfs/dbraw/zinc/53/84/84/1053538484.db2.gz AMTYOTYPOWHGKA-GOSISDBHSA-N 1 0 347.462 4.304 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC001196003528 1053551604 /nfs/dbraw/zinc/55/16/04/1053551604.db2.gz AGRGESCEQQCHJR-OAQYLSRUSA-N 1 0 348.446 4.207 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000865645496 1053566962 /nfs/dbraw/zinc/56/69/62/1053566962.db2.gz DMICQMRJSIRNDQ-UHFFFAOYSA-N 1 0 347.384 4.019 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000852319284 1053568675 /nfs/dbraw/zinc/56/86/75/1053568675.db2.gz JKDDWLUYMIFWCR-HNNXBMFYSA-N 1 0 329.444 4.159 20 30 EIEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001196047901 1053571957 /nfs/dbraw/zinc/57/19/57/1053571957.db2.gz HUYGPEDIRHSKQP-IEBWSBKVSA-N 1 0 348.531 4.147 20 30 EIEDRO Cc1ccc2c(C[NH2+]C(C)(C)c3cccc(C#N)c3)cc(=O)oc2c1C ZINC000852354933 1053572512 /nfs/dbraw/zinc/57/25/12/1053572512.db2.gz WZZNIBKURHWRSM-UHFFFAOYSA-N 1 0 346.430 4.306 20 30 EIEDRO Cc1cc2oc(=O)cc(C[NH2+]C(C)(C)c3cccc(C#N)c3)c2cc1C ZINC000852354785 1053573497 /nfs/dbraw/zinc/57/34/97/1053573497.db2.gz UOQAPJIEJLIBKT-UHFFFAOYSA-N 1 0 346.430 4.306 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)cc1 ZINC000865834850 1053604169 /nfs/dbraw/zinc/60/41/69/1053604169.db2.gz WNZSCPOKZCHKNO-VGSWGCGISA-N 1 0 349.478 4.264 20 30 EIEDRO CC[C@@H]1CCC[C@H](C)N1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852711217 1053604227 /nfs/dbraw/zinc/60/42/27/1053604227.db2.gz CXHOWESYPUSDNZ-ZNMIVQPWSA-N 1 0 341.480 4.126 20 30 EIEDRO C#CCCCCCC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000780461634 1053624958 /nfs/dbraw/zinc/62/49/58/1053624958.db2.gz LRUHQQQILOOTKZ-UHFFFAOYSA-N 1 0 340.511 4.118 20 30 EIEDRO CCCCC[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001196328682 1053640430 /nfs/dbraw/zinc/64/04/30/1053640430.db2.gz FZXAQXCCQCXPFQ-QGZVFWFLSA-N 1 0 328.456 4.280 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc2c(c1)CCCO2 ZINC000853095274 1053644990 /nfs/dbraw/zinc/64/49/90/1053644990.db2.gz VHYKTPQKZIQQKP-QGZVFWFLSA-N 1 0 349.478 4.212 20 30 EIEDRO Clc1ccc(CSc2nncn2[NH+]=C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000853280064 1053661878 /nfs/dbraw/zinc/66/18/78/1053661878.db2.gz CIXLXZDWBHRVBS-BTTYYORXSA-N 1 0 332.860 4.104 20 30 EIEDRO Fc1ccc(N=NCC2CC[NH+](Cc3ccccc3)CC2)c(F)c1F ZINC000853351635 1053669928 /nfs/dbraw/zinc/66/99/28/1053669928.db2.gz OJNWXZGZRGULEC-UHFFFAOYSA-N 1 0 347.384 4.414 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2Cn1nc(-c2ccccc2)n(CC)c1=S ZINC000853599216 1053689651 /nfs/dbraw/zinc/68/96/51/1053689651.db2.gz LNMSQOKEQDUADO-CALCHBBNSA-N 1 0 340.496 4.241 20 30 EIEDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)cc1 ZINC000921535455 1053719243 /nfs/dbraw/zinc/71/92/43/1053719243.db2.gz BFADGGRTHTZQNR-UHFFFAOYSA-N 1 0 335.451 4.204 20 30 EIEDRO C[C@H](CCc1ccsc1)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866448827 1053732822 /nfs/dbraw/zinc/73/28/22/1053732822.db2.gz NCWIMDJHADXRHX-MRXNPFEDSA-N 1 0 339.508 4.199 20 30 EIEDRO CCOCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001196889518 1053791768 /nfs/dbraw/zinc/79/17/68/1053791768.db2.gz SZCVIBRRIQKQQT-OAQYLSRUSA-N 1 0 338.426 4.223 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCc2csc(C(C)C)n2)cc1 ZINC000765632002 1053826532 /nfs/dbraw/zinc/82/65/32/1053826532.db2.gz AASRHZAWZXUANS-OAHLLOKOSA-N 1 0 328.481 4.172 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2)cc(OC)c1OC ZINC000112538666 1053838813 /nfs/dbraw/zinc/83/88/13/1053838813.db2.gz XPUMNBISLWVPDC-AWEZNQCLSA-N 1 0 329.415 4.422 20 30 EIEDRO N#Cc1ccc(F)c(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000121803530 1053849639 /nfs/dbraw/zinc/84/96/39/1053849639.db2.gz ATMTXDCDIFNJMQ-MJGOQNOKSA-N 1 0 342.414 4.159 20 30 EIEDRO C[C@H](C#N)OCC[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000801939821 1053855276 /nfs/dbraw/zinc/85/52/76/1053855276.db2.gz WBKANRBKMDKKND-GFCCVEGCSA-N 1 0 325.239 4.011 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC001197272457 1053866713 /nfs/dbraw/zinc/86/67/13/1053866713.db2.gz AGWFUIARNQUXLX-UNMCSNQZSA-N 1 0 344.543 4.322 20 30 EIEDRO N#CCCC[C@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC000868177041 1053880989 /nfs/dbraw/zinc/88/09/89/1053880989.db2.gz WDFHILSASYJERE-ZCNNSNEGSA-N 1 0 348.450 4.058 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868179099 1053881280 /nfs/dbraw/zinc/88/12/80/1053881280.db2.gz GADQYQAOJNNZBT-VQTJNVASSA-N 1 0 335.451 4.111 20 30 EIEDRO N#Cc1cc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)cs1 ZINC000921587803 1053903008 /nfs/dbraw/zinc/90/30/08/1053903008.db2.gz NITDPJBVGPZNMY-UHFFFAOYSA-N 1 0 346.883 4.111 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(F)cc2C)ccc1OC ZINC000113348228 1053926293 /nfs/dbraw/zinc/92/62/93/1053926293.db2.gz BIKZFDIYXZHBBA-GOSISDBHSA-N 1 0 342.414 4.114 20 30 EIEDRO N#Cc1cccc(OCCC[NH+]2CCC(c3cccc(F)c3)CC2)c1 ZINC001197506898 1053928459 /nfs/dbraw/zinc/92/84/59/1053928459.db2.gz MXIITBSPJIRQPH-UHFFFAOYSA-N 1 0 338.426 4.346 20 30 EIEDRO CC[C@](O)(C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000930207482 1053932346 /nfs/dbraw/zinc/93/23/46/1053932346.db2.gz ORCHHXPZPQHTLE-RYUDHWBXSA-N 1 0 347.274 4.112 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000869009719 1053955543 /nfs/dbraw/zinc/95/55/43/1053955543.db2.gz HKNPHTAHYQVTTC-UHFFFAOYSA-N 1 0 343.515 4.037 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc([N+](=O)[O-])cc1 ZINC001197660660 1053961203 /nfs/dbraw/zinc/96/12/03/1053961203.db2.gz PSHFSXIPYGYGAG-LBPRGKRZSA-N 1 0 345.786 4.001 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)c(Cl)c1 ZINC001197921516 1054022769 /nfs/dbraw/zinc/02/27/69/1054022769.db2.gz VOLGKFDRLVRQGY-AWEZNQCLSA-N 1 0 331.872 4.123 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(CNc2cc[nH+]c3c(O)cccc23)c1 ZINC000795094900 1054036267 /nfs/dbraw/zinc/03/62/67/1054036267.db2.gz BIKYLLLOGKAROB-OAHLLOKOSA-N 1 0 333.391 4.233 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001203314804 1054094228 /nfs/dbraw/zinc/09/42/28/1054094228.db2.gz CYUAWDLXOPOKKQ-UHFFFAOYSA-N 1 0 326.827 4.255 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cc1 ZINC001198211519 1054096958 /nfs/dbraw/zinc/09/69/58/1054096958.db2.gz XYMSVOQBFFARJT-UHFFFAOYSA-N 1 0 345.446 4.078 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC001198269596 1054120827 /nfs/dbraw/zinc/12/08/27/1054120827.db2.gz AVAGELUGTFATQB-QKWZMAAQSA-N 1 0 344.458 4.174 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCOC23CCCC3)cc1 ZINC001198508765 1054179566 /nfs/dbraw/zinc/17/95/66/1054179566.db2.gz UQSATQKUYBJAIK-OAQYLSRUSA-N 1 0 332.447 4.417 20 30 EIEDRO C=CCCCC[N@@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198837704 1054290723 /nfs/dbraw/zinc/29/07/23/1054290723.db2.gz PMBHOUFJYKGRQR-YLJYHZDGSA-N 1 0 336.520 4.360 20 30 EIEDRO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000871873028 1054315672 /nfs/dbraw/zinc/31/56/72/1054315672.db2.gz XRSCVPXNJSVKNA-ZIAGYGMSSA-N 1 0 341.842 4.198 20 30 EIEDRO C=C[C@@H](OC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccccc1 ZINC000857658510 1054339885 /nfs/dbraw/zinc/33/98/85/1054339885.db2.gz IWDHWNGLLBCTCC-HXUWFJFHSA-N 1 0 336.435 4.077 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC001199237818 1054370544 /nfs/dbraw/zinc/37/05/44/1054370544.db2.gz HDOVUSQHBRFMRI-UHFFFAOYSA-N 1 0 334.463 4.013 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858051192 1054408966 /nfs/dbraw/zinc/40/89/66/1054408966.db2.gz JGZZFAZKPFVMLK-SFHVURJKSA-N 1 0 327.472 4.132 20 30 EIEDRO Fc1cc(C[NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccn1 ZINC000858092166 1054415000 /nfs/dbraw/zinc/41/50/00/1054415000.db2.gz QHXDSTLFLZUNCW-URLYPYJESA-N 1 0 344.274 4.220 20 30 EIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000858390024 1054479011 /nfs/dbraw/zinc/47/90/11/1054479011.db2.gz SMOCDMNWHMGXLU-RDDDGLTNSA-N 1 0 333.247 4.072 20 30 EIEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000858446165 1054492886 /nfs/dbraw/zinc/49/28/86/1054492886.db2.gz CHVOCJDKEVYMEC-CQSZACIVSA-N 1 0 333.476 4.103 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCc2nc(C(C)(C)C)cs2)cc1 ZINC000105497682 1054528884 /nfs/dbraw/zinc/52/88/84/1054528884.db2.gz MZSDDRGCYXKBPD-AWEZNQCLSA-N 1 0 343.496 4.064 20 30 EIEDRO CCN(CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1C ZINC000776153235 1054748991 /nfs/dbraw/zinc/74/89/91/1054748991.db2.gz AAOSVHARVFEYGI-SFHVURJKSA-N 1 0 337.467 4.075 20 30 EIEDRO CC(C)[C@H](CN[C@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCCCC1 ZINC000776153251 1054749073 /nfs/dbraw/zinc/74/90/73/1054749073.db2.gz AOYKRNJRINWSOQ-NQIIRXRSSA-N 1 0 343.515 4.140 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2cc(C#N)c(F)cc2Br)c1 ZINC001201403104 1054775837 /nfs/dbraw/zinc/77/58/37/1054775837.db2.gz QDCNXAWPNVRMTN-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)[C@@H](C)[C@@H]1OC ZINC000776163228 1054776124 /nfs/dbraw/zinc/77/61/24/1054776124.db2.gz GLBCTORQQXLZTF-RGCFKVTRSA-N 1 0 330.472 4.079 20 30 EIEDRO N#Cc1ccc(F)c(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001201477574 1054828639 /nfs/dbraw/zinc/82/86/39/1054828639.db2.gz IOXDXDJQTCERBW-MOPGFXCFSA-N 1 0 333.410 4.430 20 30 EIEDRO CCCCCCCCCCC[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001201631520 1054860840 /nfs/dbraw/zinc/86/08/40/1054860840.db2.gz VLAJRMXISAUZGR-UHFFFAOYSA-N 1 0 325.541 4.253 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC001201606021 1054861569 /nfs/dbraw/zinc/86/15/69/1054861569.db2.gz CBZFXHBDFVRUCC-UHFFFAOYSA-N 1 0 340.854 4.298 20 30 EIEDRO CCCCCCC[N@@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001201762379 1054899267 /nfs/dbraw/zinc/89/92/67/1054899267.db2.gz IFSMXYAAGYODOZ-UHFFFAOYSA-N 1 0 330.520 4.129 20 30 EIEDRO CCCCCCC[N@H+]1Cc2c(cnn2CC)[C@@H](COCC2CC2)C1 ZINC001201762391 1054899793 /nfs/dbraw/zinc/89/97/93/1054899793.db2.gz IWWRMZHYERXGCP-GOSISDBHSA-N 1 0 333.520 4.199 20 30 EIEDRO CCCCCCCC[N@H+]1Cc2ncn(C)c2[C@@H](COCC(C)C)C1 ZINC001201814165 1054912289 /nfs/dbraw/zinc/91/22/89/1054912289.db2.gz MOHLRYFBGKQKFH-GOSISDBHSA-N 1 0 335.536 4.352 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC001201776827 1054915446 /nfs/dbraw/zinc/91/54/46/1054915446.db2.gz MXELLZCVNHTCMZ-IBGZPJMESA-N 1 0 328.500 4.095 20 30 EIEDRO CCCCCCC[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2C)CC1 ZINC001201777469 1054916986 /nfs/dbraw/zinc/91/69/86/1054916986.db2.gz XOKFUAXLHGAJKQ-HXUWFJFHSA-N 1 0 342.527 4.437 20 30 EIEDRO CC[NH2+]Cc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)c1 ZINC000876510231 1054924822 /nfs/dbraw/zinc/92/48/22/1054924822.db2.gz RSDVUMPEEUFMCM-UHFFFAOYSA-N 1 0 347.462 4.118 20 30 EIEDRO CCCCCCCCC[N@@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001201839023 1054931016 /nfs/dbraw/zinc/93/10/16/1054931016.db2.gz HZCDVQNDZCNFEY-UHFFFAOYSA-N 1 0 333.520 4.376 20 30 EIEDRO C=CCSCC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC001201939318 1054946259 /nfs/dbraw/zinc/94/62/59/1054946259.db2.gz OTVBJAVIMHCUIN-UHFFFAOYSA-N 1 0 329.513 4.179 20 30 EIEDRO Cn1cc(C[NH2+]C2CCC3(CCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC001201953820 1054964861 /nfs/dbraw/zinc/96/48/61/1054964861.db2.gz ABLJVBFWRXOTSO-UHFFFAOYSA-N 1 0 334.467 4.161 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000877067382 1055012702 /nfs/dbraw/zinc/01/27/02/1055012702.db2.gz CPVSWLQYVCWPMY-OOIBFCDDSA-N 1 0 327.255 4.087 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1c(C(C)C)nc2sc(C)nn21)c1ccccc1 ZINC000776251879 1055057895 /nfs/dbraw/zinc/05/78/95/1055057895.db2.gz ACDJQUYVQMPXMN-INIZCTEOSA-N 1 0 338.480 4.077 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000877491507 1055063403 /nfs/dbraw/zinc/06/34/03/1055063403.db2.gz KWXWSZLSIRUCOU-YOEHRIQHSA-N 1 0 329.806 4.172 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC3(CCSCC3)CC2)cc1 ZINC000877674181 1055106440 /nfs/dbraw/zinc/10/64/40/1055106440.db2.gz KVYQLHBPJWMUTP-INIZCTEOSA-N 1 0 330.497 4.087 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000119268831 1055145811 /nfs/dbraw/zinc/14/58/11/1055145811.db2.gz HHEFOAUFWSHSKQ-UHFFFAOYSA-N 1 0 346.478 4.320 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902890 1055147837 /nfs/dbraw/zinc/14/78/37/1055147837.db2.gz HVKCIQFAWDGFHB-DHIUTWEWSA-N 1 0 346.474 4.436 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2ccccc2[C@@H]1C)c1ccccc1 ZINC000878082814 1055183116 /nfs/dbraw/zinc/18/31/16/1055183116.db2.gz GIPIBDLYJAGGSR-JTSKRJEESA-N 1 0 332.447 4.046 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404962 1055289790 /nfs/dbraw/zinc/28/97/90/1055289790.db2.gz ACGMCHWJZYDUPR-GGAORHGYSA-N 1 0 346.474 4.225 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404961 1055290427 /nfs/dbraw/zinc/29/04/27/1055290427.db2.gz ACGMCHWJZYDUPR-FYYLOGMGSA-N 1 0 346.474 4.225 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405589 1055294598 /nfs/dbraw/zinc/29/45/98/1055294598.db2.gz IHBRZFCKTOVZGA-GMAHTHKFSA-N 1 0 346.474 4.225 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000186265452 1055304793 /nfs/dbraw/zinc/30/47/93/1055304793.db2.gz JVJONCHXKOWTJB-SFHVURJKSA-N 1 0 331.419 4.388 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1cc(C)cc(C)c1)c1ccccc1 ZINC000878514408 1055327966 /nfs/dbraw/zinc/32/79/66/1055327966.db2.gz SKQBBMAKPKTCJP-QFIPXVFZSA-N 1 0 334.463 4.176 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520013 1055332378 /nfs/dbraw/zinc/33/23/78/1055332378.db2.gz FKRDUFXQSDCBMN-AUSIDOKSSA-N 1 0 348.490 4.299 20 30 EIEDRO C#CC1CC[NH+]([C@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CC1 ZINC000878764669 1055390959 /nfs/dbraw/zinc/39/09/59/1055390959.db2.gz SVTNQFIBMANSNV-OAHLLOKOSA-N 1 0 331.419 4.296 20 30 EIEDRO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000765818953 1055561005 /nfs/dbraw/zinc/56/10/05/1055561005.db2.gz PSBXZHYVQQKDHR-KXBFYZLASA-N 1 0 338.455 4.095 20 30 EIEDRO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000765818942 1055563704 /nfs/dbraw/zinc/56/37/04/1055563704.db2.gz PSBXZHYVQQKDHR-BEFAXECRSA-N 1 0 338.455 4.095 20 30 EIEDRO C[C@@](O)(C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 ZINC000765820383 1055576977 /nfs/dbraw/zinc/57/69/77/1055576977.db2.gz WWXLCKOSQKXMKU-VQTJNVASSA-N 1 0 340.854 4.086 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc(C#N)cc4)C3)nc2c1 ZINC000130811125 1055645610 /nfs/dbraw/zinc/64/56/10/1055645610.db2.gz DFHKCWGMBBUHAX-GOSISDBHSA-N 1 0 330.435 4.123 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273384215 1055794851 /nfs/dbraw/zinc/79/48/51/1055794851.db2.gz DARIETOHRRCRTR-QUCCMNQESA-N 1 0 342.389 4.189 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273384208 1055795660 /nfs/dbraw/zinc/79/56/60/1055795660.db2.gz DARIETOHRRCRTR-AZUAARDMSA-N 1 0 342.389 4.189 20 30 EIEDRO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273420793 1055808224 /nfs/dbraw/zinc/80/82/24/1055808224.db2.gz JTZRCEDCZJRZTI-UYAOXDASSA-N 1 0 342.389 4.189 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)s1 ZINC000273527659 1055908186 /nfs/dbraw/zinc/90/81/86/1055908186.db2.gz RZXVGXRHDPPUFX-YPMHNXCESA-N 1 0 347.871 4.341 20 30 EIEDRO C[NH+](C)CC1CCC(Nc2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301760573 1055980336 /nfs/dbraw/zinc/98/03/36/1055980336.db2.gz BDFQIMDANIZHIG-UHFFFAOYSA-N 1 0 342.874 4.292 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 ZINC000302041447 1056011063 /nfs/dbraw/zinc/01/10/63/1056011063.db2.gz LOKBSJAGQZBDRD-HKUYNNGSSA-N 1 0 348.494 4.197 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1NCc1ccccc1C[N@@H+](C)C(C)C ZINC000302065242 1056013685 /nfs/dbraw/zinc/01/36/85/1056013685.db2.gz VUMMPMTUQWWLOF-UHFFFAOYSA-N 1 0 335.451 4.213 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000302085575 1056015277 /nfs/dbraw/zinc/01/52/77/1056015277.db2.gz DVUHPMWHLFOFBG-JXFKEZNVSA-N 1 0 347.462 4.226 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccccc1 ZINC000302209013 1056029642 /nfs/dbraw/zinc/02/96/42/1056029642.db2.gz LNEASFDQEQMNDG-CQSZACIVSA-N 1 0 338.411 4.008 20 30 EIEDRO Cc1cc(NCc2cc(C#N)ccc2F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302213261 1056031737 /nfs/dbraw/zinc/03/17/37/1056031737.db2.gz ZFATWOREQBVCDJ-UHFFFAOYSA-N 1 0 336.326 4.074 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc3ccccc3c2)cc1 ZINC000765884026 1056055334 /nfs/dbraw/zinc/05/53/34/1056055334.db2.gz VYRAQOIKPDCPQF-GAJHUEQPSA-N 1 0 345.442 4.236 20 30 EIEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000542836144 1056192517 /nfs/dbraw/zinc/19/25/17/1056192517.db2.gz LLCJUPZKAIPZFN-ZDUSSCGKSA-N 1 0 339.357 4.240 20 30 EIEDRO N#CCC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000542854317 1056276711 /nfs/dbraw/zinc/27/67/11/1056276711.db2.gz PXKQEDIYYIEUNN-UHFFFAOYSA-N 1 0 341.436 4.449 20 30 EIEDRO COc1cc(CC[NH2+]Cc2cccc(OCCCC#N)c2)ccc1C ZINC000153810459 1056378702 /nfs/dbraw/zinc/37/87/02/1056378702.db2.gz UDRSNQWFKKQRMF-UHFFFAOYSA-N 1 0 338.451 4.019 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c1 ZINC000921744251 1056392262 /nfs/dbraw/zinc/39/22/62/1056392262.db2.gz UGCKHZOOOLXSGU-IBGZPJMESA-N 1 0 333.435 4.146 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C#N ZINC000072707069 1056461674 /nfs/dbraw/zinc/46/16/74/1056461674.db2.gz BTUDMRHTBBLHBL-HZPDHXFCSA-N 1 0 347.462 4.115 20 30 EIEDRO C=CCC1(C(=O)Nc2nc(CN3CCCCCC3)cs2)CCC1 ZINC000338720399 1056539119 /nfs/dbraw/zinc/53/91/19/1056539119.db2.gz LRROUNJRGWCLTH-UHFFFAOYSA-N 1 0 333.501 4.204 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000765925224 1056548591 /nfs/dbraw/zinc/54/85/91/1056548591.db2.gz GDIZUVVOTGXVHC-JQHSSLGASA-N 1 0 349.519 4.132 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000073618801 1056584066 /nfs/dbraw/zinc/58/40/66/1056584066.db2.gz GTGJBZDWRKLAFK-NWDGAFQWSA-N 1 0 345.830 4.099 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2scnc2C2CC2)cc(OC)c1OC ZINC000785456157 1056664668 /nfs/dbraw/zinc/66/46/68/1056664668.db2.gz SSWGMWNFGIBAFP-UHFFFAOYSA-N 1 0 344.480 4.056 20 30 EIEDRO CC(C)[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000074354034 1056684412 /nfs/dbraw/zinc/68/44/12/1056684412.db2.gz MNVJWCOLFOEJHI-UHFFFAOYSA-N 1 0 346.434 4.061 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccccc1C#N ZINC000111039170 1056735945 /nfs/dbraw/zinc/73/59/45/1056735945.db2.gz QFTJZGUQYLTWCS-UHFFFAOYSA-N 1 0 348.425 4.152 20 30 EIEDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000075755774 1056810998 /nfs/dbraw/zinc/81/09/98/1056810998.db2.gz OMNQYGUQLPDCDF-ZDUSSCGKSA-N 1 0 346.377 4.409 20 30 EIEDRO Cc1cccnc1[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C(C)C ZINC000741788942 1058369752 /nfs/dbraw/zinc/36/97/52/1058369752.db2.gz LCYMJPFMTLWTRD-GOSISDBHSA-N 1 0 343.858 4.433 20 30 EIEDRO Cc1ccc(CC[C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)o1 ZINC000742381026 1058580649 /nfs/dbraw/zinc/58/06/49/1058580649.db2.gz URCPQHBCYMYBKG-INIZCTEOSA-N 1 0 325.456 4.049 20 30 EIEDRO COc1ccc(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)cc1C#N ZINC000742715569 1058755167 /nfs/dbraw/zinc/75/51/67/1058755167.db2.gz SZJHREJMQYFFFV-LJQANCHMSA-N 1 0 326.415 4.063 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](CC)[C@H](O)c2c(F)cccc2F)c1 ZINC000742714685 1058755953 /nfs/dbraw/zinc/75/59/53/1058755953.db2.gz PKNISVAGZDFQEC-ICSRJNTNSA-N 1 0 347.405 4.131 20 30 EIEDRO CCO[C@@H]1C[C@@H](/[NH+]=C/c2ccc(N(CC)CC)cc2O)C12CCCC2 ZINC000743043798 1058848631 /nfs/dbraw/zinc/84/86/31/1058848631.db2.gz ADTWWYLHFFOTGY-MMKSPSFCSA-N 1 0 344.499 4.395 20 30 EIEDRO C#CCCC[NH2+][C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000743484278 1059016219 /nfs/dbraw/zinc/01/62/19/1059016219.db2.gz CKUDTOIQCKQOSI-IBGZPJMESA-N 1 0 340.854 4.331 20 30 EIEDRO CC(=NNc1ccccc1Cl)c1cccc(OCC[NH+](C)C)c1 ZINC000743525146 1059039206 /nfs/dbraw/zinc/03/92/06/1059039206.db2.gz APPOUEBZGHXYPV-UHFFFAOYSA-N 1 0 331.847 4.117 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743843324 1059175558 /nfs/dbraw/zinc/17/55/58/1059175558.db2.gz VWDVUKBZDRDRNY-FQEVSTJZSA-N 1 0 342.870 4.403 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)c1 ZINC000744447452 1059523826 /nfs/dbraw/zinc/52/38/26/1059523826.db2.gz KHTGFJRAKIZYLF-DJJJIMSYSA-N 1 0 349.833 4.256 20 30 EIEDRO CCC[N@@H+](Cc1ccc(F)cc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746034511 1059976142 /nfs/dbraw/zinc/97/61/42/1059976142.db2.gz SUYXKOUNZGPGLC-UHFFFAOYSA-N 1 0 348.425 4.431 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000746125374 1060034660 /nfs/dbraw/zinc/03/46/60/1060034660.db2.gz HDCRKKPQJOCCRH-CBGDNZLLSA-N 1 0 347.462 4.153 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)cc1 ZINC000746156533 1060051434 /nfs/dbraw/zinc/05/14/34/1060051434.db2.gz LKSLURTTZMJNDN-QHCPKHFHSA-N 1 0 342.442 4.294 20 30 EIEDRO CCCCCCCCc1nnc(NC(=O)C2([NH3+])CCCCC2)s1 ZINC000746324980 1060146075 /nfs/dbraw/zinc/14/60/75/1060146075.db2.gz TYMCMXXJGLMZID-UHFFFAOYSA-N 1 0 338.521 4.041 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001205990887 1060261838 /nfs/dbraw/zinc/26/18/38/1060261838.db2.gz XBQBYTWHTKKKBJ-UGSOOPFHSA-N 1 0 346.243 4.483 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCc2nc3c(cccc3C)o2)cc1 ZINC000766354203 1060302437 /nfs/dbraw/zinc/30/24/37/1060302437.db2.gz MFUVPIUJTRNPFQ-MRXNPFEDSA-N 1 0 334.419 4.042 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2(CCO)CCCC2)cc1 ZINC000766376198 1060318575 /nfs/dbraw/zinc/31/85/75/1060318575.db2.gz SORUMNVNRQSNPH-INIZCTEOSA-N 1 0 337.891 4.411 20 30 EIEDRO C=CCOC(=O)N1CCCC2(CC[NH+](Cc3sccc3C)CC2)C1 ZINC001204019109 1060529536 /nfs/dbraw/zinc/52/95/36/1060529536.db2.gz MUMVIGPQFOULBU-UHFFFAOYSA-N 1 0 348.512 4.057 20 30 EIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCc2cn3ccccc3n2)cc1 ZINC001169009580 1060576487 /nfs/dbraw/zinc/57/64/87/1060576487.db2.gz RNFCXBOPLQHHDO-NRFANRHFSA-N 1 0 346.478 4.312 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169145177 1060662431 /nfs/dbraw/zinc/66/24/31/1060662431.db2.gz SWMSHICRVOIPCH-FOIQADDNSA-N 1 0 328.504 4.206 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169145703 1060666243 /nfs/dbraw/zinc/66/62/43/1060666243.db2.gz SWMSHICRVOIPCH-YWZLYKJASA-N 1 0 328.504 4.206 20 30 EIEDRO C=C(CC)C[NH2+][C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001169270661 1060755288 /nfs/dbraw/zinc/75/52/88/1060755288.db2.gz JCJRJRUCRXASPV-FUHWJXTLSA-N 1 0 338.854 4.085 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1cccc(SCc2ccccc2)c1)[C@H]1CCCO1 ZINC001169495911 1060834409 /nfs/dbraw/zinc/83/44/09/1060834409.db2.gz RXGFMGUJBFHSDJ-NHCUHLMSSA-N 1 0 337.488 4.249 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncc2ccccc2c1C#N ZINC001169684782 1060897833 /nfs/dbraw/zinc/89/78/33/1060897833.db2.gz LXWAROOSUDRBGB-IBGZPJMESA-N 1 0 328.419 4.347 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1c(F)c(F)c(C#N)c(F)c1F ZINC001169690988 1060902250 /nfs/dbraw/zinc/90/22/50/1060902250.db2.gz OJFWSYHWWQWVNN-LBPRGKRZSA-N 1 0 349.331 4.355 20 30 EIEDRO C#C[C@@](C)(CC)Nc1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001169701820 1060911643 /nfs/dbraw/zinc/91/16/43/1060911643.db2.gz UWVPXQIICRLKQT-IRLDBZIGSA-N 1 0 335.495 4.379 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC001169717257 1060915916 /nfs/dbraw/zinc/91/59/16/1060915916.db2.gz YVQZKKYEXDFNMQ-GOSISDBHSA-N 1 0 345.364 4.040 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccccc1 ZINC001169757720 1060947362 /nfs/dbraw/zinc/94/73/62/1060947362.db2.gz SDEIEEWVVTXZJK-LEWJYISDSA-N 1 0 334.463 4.198 20 30 EIEDRO CC(C)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC001169771124 1060957269 /nfs/dbraw/zinc/95/72/69/1060957269.db2.gz IOUGZVVBZJXYIS-UHFFFAOYSA-N 1 0 333.863 4.099 20 30 EIEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2ccc(SC)cc2)CCCC1(C)C ZINC001169845102 1060996638 /nfs/dbraw/zinc/99/66/38/1060996638.db2.gz RWHYHFNCZWYNQD-QGZVFWFLSA-N 1 0 332.513 4.414 20 30 EIEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccc(SC)cc2)CCCC1(C)C ZINC001169845100 1060998434 /nfs/dbraw/zinc/99/84/34/1060998434.db2.gz RWHYHFNCZWYNQD-KRWDZBQOSA-N 1 0 332.513 4.414 20 30 EIEDRO C[C@H](CC#N)[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000103460843 1061033406 /nfs/dbraw/zinc/03/34/06/1061033406.db2.gz LZZCFFGRXMPBCS-LLVKDONJSA-N 1 0 333.229 4.042 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC001169953829 1061050579 /nfs/dbraw/zinc/05/05/79/1061050579.db2.gz WACBAKCRTCQVDL-FQEVSTJZSA-N 1 0 342.483 4.218 20 30 EIEDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000082138231 564056297 /nfs/dbraw/zinc/05/62/97/564056297.db2.gz YSIQHSAUQUENCW-GOSISDBHSA-N 1 0 326.396 4.086 20 30 EIEDRO C=CC[C@@H](C)[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000532358976 1032149515 /nfs/dbraw/zinc/14/95/15/1032149515.db2.gz LHXYOFHJCFBNSR-OAHLLOKOSA-N 1 0 327.472 4.368 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCCC2(C)C)cc1OCCCC#N ZINC000237178319 1032227235 /nfs/dbraw/zinc/22/72/35/1032227235.db2.gz GGVXVAADHFWBBB-IBGZPJMESA-N 1 0 330.472 4.436 20 30 EIEDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000237683256 1032233506 /nfs/dbraw/zinc/23/35/06/1032233506.db2.gz FAZWOZGXPWDJGI-ZWKOTPCHSA-N 1 0 336.483 4.380 20 30 EIEDRO Cc1cnc([C@@H]2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)s1 ZINC000360078880 1032240317 /nfs/dbraw/zinc/24/03/17/1032240317.db2.gz YRTBNDIEOUPQNG-RHSMWYFYSA-N 1 0 341.480 4.122 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[C@]2(C)c2cccs2)cc1 ZINC000360092410 1032240380 /nfs/dbraw/zinc/24/03/80/1032240380.db2.gz JDBNYOLOPYCUNZ-ALKREAHSSA-N 1 0 326.465 4.106 20 30 EIEDRO CC[N@H+](Cc1cccc2c1OCCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000508620825 1032250520 /nfs/dbraw/zinc/25/05/20/1032250520.db2.gz QTSIANATNYZHMK-MRXNPFEDSA-N 1 0 336.435 4.303 20 30 EIEDRO C[N@H+](CC(C)(C)CCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245512989 1032281277 /nfs/dbraw/zinc/28/12/77/1032281277.db2.gz BRMMMZCRZVFCNB-HZPDHXFCSA-N 1 0 341.282 4.213 20 30 EIEDRO CCc1cc(CCC[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)on1 ZINC000450311781 1032412538 /nfs/dbraw/zinc/41/25/38/1032412538.db2.gz JOBSWEYZJUHYTI-UHFFFAOYSA-N 1 0 325.456 4.199 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[NH+](CC1CC1)CC1CC1 ZINC000533058506 1032463606 /nfs/dbraw/zinc/46/36/06/1032463606.db2.gz KQLJYJZRZNTNKK-UHFFFAOYSA-N 1 0 330.497 4.025 20 30 EIEDRO COc1ccc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1C#N ZINC000533079662 1032480453 /nfs/dbraw/zinc/48/04/53/1032480453.db2.gz CDECEPZVKWDOGL-UHFFFAOYSA-N 1 0 345.446 4.428 20 30 EIEDRO COCc1ccc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529641091 1032500455 /nfs/dbraw/zinc/50/04/55/1032500455.db2.gz BJPRYNFSXBXCIW-PKOBYXMFSA-N 1 0 349.478 4.027 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000180439300 1032591326 /nfs/dbraw/zinc/59/13/26/1032591326.db2.gz HPOKEJGXTYBOLX-IFXJQAMLSA-N 1 0 340.398 4.120 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000429818750 1032700583 /nfs/dbraw/zinc/70/05/83/1032700583.db2.gz GBLBYLRXTHRTKP-UHFFFAOYSA-N 1 0 328.500 4.281 20 30 EIEDRO COc1ccc([C@H]2CCCN2Cc2cccc(C#N)c2F)c(OC)c1 ZINC000512410389 1032706341 /nfs/dbraw/zinc/70/63/41/1032706341.db2.gz RUVBSYKFTPSBSS-GOSISDBHSA-N 1 0 340.398 4.052 20 30 EIEDRO C[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1cccc(C#N)c1 ZINC000026328965 1032708486 /nfs/dbraw/zinc/70/84/86/1032708486.db2.gz RPRLGBLNOHREPS-UHFFFAOYSA-N 1 0 343.430 4.172 20 30 EIEDRO C=CC1CCN([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000533424265 1032748978 /nfs/dbraw/zinc/74/89/78/1032748978.db2.gz MRYRBSUPLRFOGW-NSHDSACASA-N 1 0 327.255 4.218 20 30 EIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000533446298 1032777446 /nfs/dbraw/zinc/77/74/46/1032777446.db2.gz RKSRASLCTZDKHI-KPZWWZAWSA-N 1 0 332.806 4.217 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(Cl)c1F ZINC000274535085 1018777773 /nfs/dbraw/zinc/77/77/73/1018777773.db2.gz QHQMGHYKZSGIDG-UHFFFAOYSA-N 1 0 332.806 4.406 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429577268 1032788208 /nfs/dbraw/zinc/78/82/08/1032788208.db2.gz FDHWYZSGPBMAIK-PMPSAXMXSA-N 1 0 345.512 4.140 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000577580168 1018860499 /nfs/dbraw/zinc/86/04/99/1018860499.db2.gz LXLRCTMUXSQVFZ-HJNYFJLDSA-N 1 0 347.462 4.231 20 30 EIEDRO C=CCSCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000226509530 1019124226 /nfs/dbraw/zinc/12/42/26/1019124226.db2.gz IRCLBZVQYNRCNU-UHFFFAOYSA-N 1 0 337.286 4.006 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001167064700 1019220913 /nfs/dbraw/zinc/22/09/13/1019220913.db2.gz XSHWWRGJUAXPFN-OALUTQOASA-N 1 0 326.827 4.082 20 30 EIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c1F ZINC000512463331 1032833524 /nfs/dbraw/zinc/83/35/24/1032833524.db2.gz PSXSCQIFFQZFBF-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000126979210 1019539997 /nfs/dbraw/zinc/53/99/97/1019539997.db2.gz LKIHLPAGGCKEMW-MRXNPFEDSA-N 1 0 337.389 4.032 20 30 EIEDRO COc1ccc(C[N@H+]([C@H](C)C(C)C)C2CC2)cc1OCCCC#N ZINC000179496667 1019743614 /nfs/dbraw/zinc/74/36/14/1019743614.db2.gz FDBYXCFOIBTBJO-MRXNPFEDSA-N 1 0 330.472 4.387 20 30 EIEDRO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000467983001 1019763979 /nfs/dbraw/zinc/76/39/79/1019763979.db2.gz KKIRLGPHIFJGAJ-YADHBBJMSA-N 1 0 340.511 4.103 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179620754 1019786993 /nfs/dbraw/zinc/78/69/93/1019786993.db2.gz TUTXYBNCNJVRQZ-HNNXBMFYSA-N 1 0 326.362 4.143 20 30 EIEDRO Cn1cc(C[N@H+](CCCC(C)(C)C#N)Cc2ccc(Cl)cc2)cn1 ZINC000430273618 1019885366 /nfs/dbraw/zinc/88/53/66/1019885366.db2.gz OBYKXPMZRXVINX-UHFFFAOYSA-N 1 0 344.890 4.406 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000116907905 1020193183 /nfs/dbraw/zinc/19/31/83/1020193183.db2.gz JKBFSHXRNDIPCQ-OXQOHEQNSA-N 1 0 338.451 4.238 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000116907903 1020194045 /nfs/dbraw/zinc/19/40/45/1020194045.db2.gz JKBFSHXRNDIPCQ-JXFKEZNVSA-N 1 0 338.451 4.238 20 30 EIEDRO C=CCCCCC[N@@H+]1CCc2c(c(COC(C)C)nn2CC2CC2)C1 ZINC001209422779 1020304425 /nfs/dbraw/zinc/30/44/25/1020304425.db2.gz IHMCOXNGGRCMNG-UHFFFAOYSA-N 1 0 345.531 4.323 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001209438609 1020336027 /nfs/dbraw/zinc/33/60/27/1020336027.db2.gz PDZMIRYHYAAXQB-GJZGRUSLSA-N 1 0 325.390 4.240 20 30 EIEDRO C=CCCCCCCC[N@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001209442136 1020351727 /nfs/dbraw/zinc/35/17/27/1020351727.db2.gz UJCFUFAZRRQSNE-FQEVSTJZSA-N 1 0 345.531 4.268 20 30 EIEDRO C#CC[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H]1CCc2ccccc21 ZINC001167178767 1020486392 /nfs/dbraw/zinc/48/63/92/1020486392.db2.gz KJFWRCQXNQPHEF-CGTJXYLNSA-N 1 0 337.385 4.109 20 30 EIEDRO C#CC[N@@H+](C[C@H](C)COCc1ccccc1)[C@H]1CCc2ccccc21 ZINC001167178901 1020486437 /nfs/dbraw/zinc/48/64/37/1020486437.db2.gz OQRCHKJRTAYKEX-CVDCTZTESA-N 1 0 333.475 4.462 20 30 EIEDRO C#CC[N@@H+](Cc1c[nH]c(=O)c2ccccc12)[C@@H]1CCc2ccccc21 ZINC001167179284 1020488531 /nfs/dbraw/zinc/48/85/31/1020488531.db2.gz YCUITRPELLUEQA-OAQYLSRUSA-N 1 0 328.415 4.063 20 30 EIEDRO COCCN(Cc1ccc(C)cc1C)Cc1ccc(C#N)cc1Cl ZINC001167227330 1020603402 /nfs/dbraw/zinc/60/34/02/1020603402.db2.gz LJZSZJHTFMJCPC-UHFFFAOYSA-N 1 0 342.870 4.477 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000326749301 1020610620 /nfs/dbraw/zinc/61/06/20/1020610620.db2.gz LHLNCLWLUGIELK-JOCHJYFZSA-N 1 0 336.479 4.178 20 30 EIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001167251125 1020671819 /nfs/dbraw/zinc/67/18/19/1020671819.db2.gz ARRFWATWNCEOSI-YADHBBJMSA-N 1 0 332.447 4.467 20 30 EIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC001167255829 1020684548 /nfs/dbraw/zinc/68/45/48/1020684548.db2.gz OJRZWNFHBBXCGA-FQEVSTJZSA-N 1 0 336.435 4.318 20 30 EIEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2csc(Br)c2)C1 ZINC000397320347 1020687404 /nfs/dbraw/zinc/68/74/04/1020687404.db2.gz SMRNCFHDPALAOX-UHFFFAOYSA-N 1 0 347.281 4.224 20 30 EIEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000138527797 1020691462 /nfs/dbraw/zinc/69/14/62/1020691462.db2.gz ABLUOUVCLKDVII-IRLDBZIGSA-N 1 0 349.478 4.031 20 30 EIEDRO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc([Si](C)(C)C)cc1 ZINC001167273870 1020750268 /nfs/dbraw/zinc/75/02/68/1020750268.db2.gz SBCRIUJEOVIBJJ-UHFFFAOYSA-N 1 0 325.503 4.006 20 30 EIEDRO C#Cc1cccc(N(C(=O)c2ccc(C[NH+](CC)CC)o2)C(C)C)c1 ZINC000728246937 1020754366 /nfs/dbraw/zinc/75/43/66/1020754366.db2.gz NSWCHOUREYDPMN-UHFFFAOYSA-N 1 0 338.451 4.158 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)Oc1cccc(F)c1 ZINC000175799114 1020800967 /nfs/dbraw/zinc/80/09/67/1020800967.db2.gz BKCPIDGXKHXZLN-QAPCUYQASA-N 1 0 342.414 4.064 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000610270638 1020831707 /nfs/dbraw/zinc/83/17/07/1020831707.db2.gz RTXWXSKVTZATFV-UHFFFAOYSA-N 1 0 326.440 4.416 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237894199 1020858811 /nfs/dbraw/zinc/85/88/11/1020858811.db2.gz IFALUSKXFLNDNP-MRXNPFEDSA-N 1 0 348.899 4.396 20 30 EIEDRO COc1ccc(C2(C[NH2+]Cc3nc(C#N)cs3)CCCCC2)cc1 ZINC000579941320 1020925942 /nfs/dbraw/zinc/92/59/42/1020925942.db2.gz LYZKMHHNUVGSKR-UHFFFAOYSA-N 1 0 341.480 4.015 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)s1 ZINC000176959294 1020939899 /nfs/dbraw/zinc/93/98/99/1020939899.db2.gz STKNWGYCBRYHPX-UHFFFAOYSA-N 1 0 327.453 4.016 20 30 EIEDRO CC(C)C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001167298285 1020954575 /nfs/dbraw/zinc/95/45/75/1020954575.db2.gz KGGRPTYGMDOAPJ-INIZCTEOSA-N 1 0 325.374 4.447 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000655801217 1020973742 /nfs/dbraw/zinc/97/37/42/1020973742.db2.gz UGSDLIXDCFNLBY-WMZOPIPTSA-N 1 0 328.481 4.108 20 30 EIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001167309888 1021019803 /nfs/dbraw/zinc/01/98/03/1021019803.db2.gz JYJUPICQRCQLNK-FQEVSTJZSA-N 1 0 336.435 4.173 20 30 EIEDRO CCOC(=O)C1CCC([NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000340436671 1021022547 /nfs/dbraw/zinc/02/25/47/1021022547.db2.gz SHHHSWHXVIMTDY-CTWPCTMYSA-N 1 0 328.456 4.133 20 30 EIEDRO N#CCCC[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000340445876 1021042181 /nfs/dbraw/zinc/04/21/81/1021042181.db2.gz LXKPMBJOKMTSMY-FQEVSTJZSA-N 1 0 334.467 4.075 20 30 EIEDRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)s1 ZINC000134964368 1021048553 /nfs/dbraw/zinc/04/85/53/1021048553.db2.gz POBZZPASVJMKCV-CVEARBPZSA-N 1 0 339.508 4.496 20 30 EIEDRO C[C@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO[C@H]1C1CC1 ZINC000468045135 1021160076 /nfs/dbraw/zinc/16/00/76/1021160076.db2.gz QEISPBZWPQOALT-UTZODRGISA-N 1 0 338.495 4.185 20 30 EIEDRO C[NH+](C)[C@H]1CCOc2c(Nc3cc(Cl)cc(C#N)c3)cccc21 ZINC001210539828 1021205009 /nfs/dbraw/zinc/20/50/09/1021205009.db2.gz LQNYUGPYXATNIZ-KRWDZBQOSA-N 1 0 327.815 4.340 20 30 EIEDRO CC(=NNc1ccc(Cl)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748134076 1021322453 /nfs/dbraw/zinc/32/24/53/1021322453.db2.gz KLDWQFZSOXOVBQ-UHFFFAOYSA-N 1 0 331.847 4.117 20 30 EIEDRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)c2cccc(C#N)c2)s1 ZINC000612740545 1021337036 /nfs/dbraw/zinc/33/70/36/1021337036.db2.gz IMRVXJVCYMWTDC-VIFPVBQESA-N 1 0 325.359 4.193 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)cc1)c1cccc(C#N)c1 ZINC000610344672 1021344335 /nfs/dbraw/zinc/34/43/35/1021344335.db2.gz DKRWBZWVUXBFPK-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610346151 1021346410 /nfs/dbraw/zinc/34/64/10/1021346410.db2.gz MVPTUPOZYOIGCZ-JKSUJKDBSA-N 1 0 349.478 4.361 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001266555712 1021366393 /nfs/dbraw/zinc/36/63/93/1021366393.db2.gz RKNCSYGFMKJRDV-XUVXKRRUSA-N 1 0 340.511 4.006 20 30 EIEDRO N#Cc1ccc(CN(Cc2cc(-c3ccccc3)n[nH]2)C2CC2)cc1 ZINC000180031300 1021374558 /nfs/dbraw/zinc/37/45/58/1021374558.db2.gz DKIQVLHERZZYFX-UHFFFAOYSA-N 1 0 328.419 4.113 20 30 EIEDRO CCn1ncc2c1CCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000376085518 1021395604 /nfs/dbraw/zinc/39/56/04/1021395604.db2.gz WENRAWGHYLGUKK-PXAZEXFGSA-N 1 0 328.847 4.156 20 30 EIEDRO Cc1c([C@H](C)[NH2+]Cc2cc(C#N)cs2)cnn1-c1ccc(F)cc1 ZINC000177692198 1021454287 /nfs/dbraw/zinc/45/42/87/1021454287.db2.gz JQMRBAWHBZTPLL-LBPRGKRZSA-N 1 0 340.427 4.104 20 30 EIEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000610371933 1021558721 /nfs/dbraw/zinc/55/87/21/1021558721.db2.gz HFIFBPBYWBPFSE-CQSZACIVSA-N 1 0 327.209 4.004 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc(C#N)c1 ZINC000376163052 1021635656 /nfs/dbraw/zinc/63/56/56/1021635656.db2.gz AHDYMYMNIRACDW-GDBMZVCRSA-N 1 0 341.405 4.014 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(Sc3ccccc3)CCCC2)n1 ZINC000580862993 1021823450 /nfs/dbraw/zinc/82/34/50/1021823450.db2.gz HOKSQYRRAWRMBV-UHFFFAOYSA-N 1 0 329.494 4.209 20 30 EIEDRO Cc1cc(C)c(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379670623 1021868313 /nfs/dbraw/zinc/86/83/13/1021868313.db2.gz JFBAKANMQLRWIK-MJGOQNOKSA-N 1 0 334.467 4.035 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(C)(C)C ZINC000543862012 1021881896 /nfs/dbraw/zinc/88/18/96/1021881896.db2.gz CGHDXHUUBOYMPC-HZPDHXFCSA-N 1 0 349.478 4.179 20 30 EIEDRO C#CCCC[NH2+][C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000178058368 1021881990 /nfs/dbraw/zinc/88/19/90/1021881990.db2.gz XMCKAKJQTLTYKS-MRXNPFEDSA-N 1 0 326.465 4.199 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2c3ccc(F)cc3O[C@H]2C)cc1OC ZINC000580357115 1021898122 /nfs/dbraw/zinc/89/81/22/1021898122.db2.gz XQPSERWYPYHOGD-RBZFPXEDSA-N 1 0 343.398 4.011 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001167391536 1021954003 /nfs/dbraw/zinc/95/40/03/1021954003.db2.gz KBYRMVIJZYWNHX-HXUWFJFHSA-N 1 0 344.474 4.389 20 30 EIEDRO C[NH+](C)[C@H](CNc1nc(C(C)(C)C)ccc1C#N)c1ccsc1 ZINC000613411568 1021985500 /nfs/dbraw/zinc/98/55/00/1021985500.db2.gz OUBSMJICQBXWHT-OAHLLOKOSA-N 1 0 328.485 4.027 20 30 EIEDRO C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cccc(Cl)c1 ZINC000341071045 1022019168 /nfs/dbraw/zinc/01/91/68/1022019168.db2.gz JLQVBJYPYBVLTJ-GFCCVEGCSA-N 1 0 338.798 4.112 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000414174920 1022035054 /nfs/dbraw/zinc/03/50/54/1022035054.db2.gz YNGFYMWHGMLRKS-CQSZACIVSA-N 1 0 337.261 4.192 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCOc2c(OC)cc(C)cc21)c1ccc(C#N)cc1 ZINC000365713014 1022036194 /nfs/dbraw/zinc/03/61/94/1022036194.db2.gz QBOSKMODENMBLE-RBUKOAKNSA-N 1 0 336.435 4.440 20 30 EIEDRO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(C#N)cc1F ZINC000471580965 1022054381 /nfs/dbraw/zinc/05/43/81/1022054381.db2.gz FPULIOSWJNKELL-ZDUSSCGKSA-N 1 0 339.389 4.221 20 30 EIEDRO C=CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC001167406765 1022066288 /nfs/dbraw/zinc/06/62/88/1022066288.db2.gz VSXNIEXHTKYPKH-DLBZAZTESA-N 1 0 336.479 4.304 20 30 EIEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415943345 1022261226 /nfs/dbraw/zinc/26/12/26/1022261226.db2.gz LMCWCWJFQDEYDW-UHFFFAOYSA-N 1 0 341.430 4.155 20 30 EIEDRO C=CC[C@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000187873954 1022336716 /nfs/dbraw/zinc/33/67/16/1022336716.db2.gz IQYBAFYBHILMCT-FQEVSTJZSA-N 1 0 328.500 4.119 20 30 EIEDRO Cc1ccc(Br)c(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000414272277 1022372057 /nfs/dbraw/zinc/37/20/57/1022372057.db2.gz YBTFRTJWRIUBOD-GOSISDBHSA-N 1 0 341.252 4.406 20 30 EIEDRO N#Cc1cnc2ccccc2c1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311542942 1022422946 /nfs/dbraw/zinc/42/29/46/1022422946.db2.gz UGHUHPDQPMUSLI-SFHVURJKSA-N 1 0 342.446 4.040 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000892603710 1022453173 /nfs/dbraw/zinc/45/31/73/1022453173.db2.gz RFFZZHKVHTWIKQ-UHFFFAOYSA-N 1 0 343.452 4.257 20 30 EIEDRO C=CCCCC[NH2+][C@H]1CCCC[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000471617582 1022477984 /nfs/dbraw/zinc/47/79/84/1022477984.db2.gz GRLMWFCFWYBGKW-RBUKOAKNSA-N 1 0 335.513 4.026 20 30 EIEDRO CCCn1cc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000180334683 1022562704 /nfs/dbraw/zinc/56/27/04/1022562704.db2.gz CCPOIYGTPPVDFB-UHFFFAOYSA-N 1 0 330.435 4.122 20 30 EIEDRO C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000580831374 1022583521 /nfs/dbraw/zinc/58/35/21/1022583521.db2.gz QALXOZRAXRWVHK-HXUWFJFHSA-N 1 0 344.474 4.323 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H](C)c1ccccc1 ZINC000541215343 1022606433 /nfs/dbraw/zinc/60/64/33/1022606433.db2.gz ZQMXZWDSPBSYMC-UUBYJMPYSA-N 1 0 349.478 4.425 20 30 EIEDRO COC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cccc(Cl)c1 ZINC000580885474 1022651607 /nfs/dbraw/zinc/65/16/07/1022651607.db2.gz MULDIVSUYNFYDH-OALUTQOASA-N 1 0 326.827 4.176 20 30 EIEDRO C=C(C)CCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC001125876871 1022766095 /nfs/dbraw/zinc/76/60/95/1022766095.db2.gz VMLVNMFJNKRIOW-UHFFFAOYSA-N 1 0 334.891 4.121 20 30 EIEDRO CCC(CC)CN(CCC#N)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000104546695 1022775953 /nfs/dbraw/zinc/77/59/53/1022775953.db2.gz PPLCGWQEKFZHDG-UHFFFAOYSA-N 1 0 341.499 4.074 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)Cc2cccc(Cl)c2)CC1 ZINC000176622632 1022791780 /nfs/dbraw/zinc/79/17/80/1022791780.db2.gz YGOSHMMSMATEQB-UHFFFAOYSA-N 1 0 348.918 4.065 20 30 EIEDRO Cc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000190157120 1022848176 /nfs/dbraw/zinc/84/81/76/1022848176.db2.gz XKUNJHFWYVHMFT-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO C[NH+](C)[C@@H](CNc1cccc(C(F)F)c1C#N)c1ccc(F)cc1 ZINC000581221968 1022888347 /nfs/dbraw/zinc/88/83/47/1022888347.db2.gz ZDSIKNKJMJHQMA-KRWDZBQOSA-N 1 0 333.357 4.350 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000067501705 1022962336 /nfs/dbraw/zinc/96/23/36/1022962336.db2.gz QMGDGADKEOUWAX-HXUWFJFHSA-N 1 0 339.870 4.467 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)c(-c2ccccc2)n1 ZINC000589209866 1023099102 /nfs/dbraw/zinc/09/91/02/1023099102.db2.gz UZBWAUOCOQMNGN-IBGZPJMESA-N 1 0 334.467 4.086 20 30 EIEDRO N#CC1(CCC[N@@H+]2CCC[C@H](c3ccccc3)CC2)CCOCC1 ZINC000376624986 1023250726 /nfs/dbraw/zinc/25/07/26/1023250726.db2.gz BIBGLUKWRNBIMY-FQEVSTJZSA-N 1 0 326.484 4.357 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000417364705 1023291288 /nfs/dbraw/zinc/29/12/88/1023291288.db2.gz LOARBXMUPHWJAN-XOBRGWDASA-N 1 0 337.442 4.492 20 30 EIEDRO CC(C)C[C@H]([NH3+])c1noc(/C=C/c2cn(CCC#N)c3ccccc23)n1 ZINC000414619409 1023294666 /nfs/dbraw/zinc/29/46/66/1023294666.db2.gz OAUXYFHGHVZSOF-IJDCCNJMSA-N 1 0 349.438 4.154 20 30 EIEDRO CC(C)C[C@H]([NH3+])c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 ZINC000414619414 1023295025 /nfs/dbraw/zinc/29/50/25/1023295025.db2.gz OAUXYFHGHVZSOF-JJEJIETFSA-N 1 0 349.438 4.154 20 30 EIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376854270 1023325891 /nfs/dbraw/zinc/32/58/91/1023325891.db2.gz AJKWEDVCADWEIC-LOUJCGABSA-N 1 0 341.480 4.288 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1ccccc1C(F)(F)F)CC2 ZINC000584499214 1023447680 /nfs/dbraw/zinc/44/76/80/1023447680.db2.gz ALSZNVKEZPQMFJ-GOSISDBHSA-N 1 0 330.353 4.397 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(Cl)c3cccnc23)ccc1C#N ZINC000566532474 1023457550 /nfs/dbraw/zinc/45/75/50/1023457550.db2.gz SQTSBJHIXVBIGH-UHFFFAOYSA-N 1 0 337.810 4.058 20 30 EIEDRO Cc1ccc(OCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000500034469 1023459542 /nfs/dbraw/zinc/45/95/42/1023459542.db2.gz YEUXYDVILVJDTH-UHFFFAOYSA-N 1 0 334.463 4.368 20 30 EIEDRO CC(C)(CCC#N)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000511522190 1023469908 /nfs/dbraw/zinc/46/99/08/1023469908.db2.gz CCGZALZUTAHZKZ-UHFFFAOYSA-N 1 0 325.500 4.091 20 30 EIEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H](C)C1CCC1 ZINC000925636905 1023474940 /nfs/dbraw/zinc/47/49/40/1023474940.db2.gz VZQAVOCFEKQSCV-HZPDHXFCSA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H](c1ccccc1)N(C)C ZINC000613664921 1023475921 /nfs/dbraw/zinc/47/59/21/1023475921.db2.gz XBJKMQWKEBKIIH-SSKFGXFMSA-N 1 0 333.479 4.217 20 30 EIEDRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCCCC#N ZINC000728782956 1023510285 /nfs/dbraw/zinc/51/02/85/1023510285.db2.gz VBKMRGYRMKGAIG-UHFFFAOYSA-N 1 0 337.254 4.271 20 30 EIEDRO CC(C)Oc1ccc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1C#N ZINC000415307628 1023554497 /nfs/dbraw/zinc/55/44/97/1023554497.db2.gz NYJKEYLZAYTPSO-ZDUSSCGKSA-N 1 0 338.411 4.009 20 30 EIEDRO CCN(CC)c1ncc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418140818 1023562799 /nfs/dbraw/zinc/56/27/99/1023562799.db2.gz FYAIPUVKMLORHJ-GOSISDBHSA-N 1 0 340.496 4.028 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)ccc1SC ZINC000418151412 1023567466 /nfs/dbraw/zinc/56/74/66/1023567466.db2.gz XFIHQVKUCKVYKK-GOSISDBHSA-N 1 0 338.476 4.456 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000415579048 1023701688 /nfs/dbraw/zinc/70/16/88/1023701688.db2.gz JPJNXYAMXAWIJC-UHOSZYNNSA-N 1 0 341.499 4.130 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C[C@H](C)c2ccccc2)ccc1OC ZINC000194435541 1023764004 /nfs/dbraw/zinc/76/40/04/1023764004.db2.gz FMGVHFMSGZRPBU-LPHOPBHVSA-N 1 0 338.451 4.269 20 30 EIEDRO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000610543042 1023771341 /nfs/dbraw/zinc/77/13/41/1023771341.db2.gz XXFSUYJOGQIJTK-MJEQTWJJSA-N 1 0 345.512 4.076 20 30 EIEDRO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000610543044 1023772219 /nfs/dbraw/zinc/77/22/19/1023772219.db2.gz XXFSUYJOGQIJTK-XGWLTEMNSA-N 1 0 345.512 4.076 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000135332391 1023845791 /nfs/dbraw/zinc/84/57/91/1023845791.db2.gz KELXWWKSDMFFHO-JKSUJKDBSA-N 1 0 338.451 4.105 20 30 EIEDRO CC(C)(C)C[N@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1F ZINC000111250781 1023856808 /nfs/dbraw/zinc/85/68/08/1023856808.db2.gz ZHVVWGCGLQBKPM-UHFFFAOYSA-N 1 0 339.842 4.069 20 30 EIEDRO C=CCC[C@H](NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)c1ccccc1 ZINC000891697863 1023885919 /nfs/dbraw/zinc/88/59/19/1023885919.db2.gz PROFUAWJYXKVJB-RXVVDRJESA-N 1 0 343.515 4.100 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000651759188 1023983903 /nfs/dbraw/zinc/98/39/03/1023983903.db2.gz DFNGWCXTCHNKTP-YOEHRIQHSA-N 1 0 329.419 4.143 20 30 EIEDRO C=CC[C@@]1(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)CCC[NH2+]1 ZINC000662749771 1023997905 /nfs/dbraw/zinc/99/79/05/1023997905.db2.gz QFNMBONVSCZIHF-UTKZUKDTSA-N 1 0 341.499 4.011 20 30 EIEDRO CC[C@H](CCc1ccc(Br)cc1)[NH2+]CC1(CC#N)CC1 ZINC000430745324 1024002418 /nfs/dbraw/zinc/00/24/18/1024002418.db2.gz YRIBFUCFQFQOKF-MRXNPFEDSA-N 1 0 335.289 4.444 20 30 EIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000430751573 1024008979 /nfs/dbraw/zinc/00/89/79/1024008979.db2.gz XIWCKAQSVVRWON-RYUDHWBXSA-N 1 0 327.255 4.433 20 30 EIEDRO C=CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000661378819 1024082345 /nfs/dbraw/zinc/08/23/45/1024082345.db2.gz MVALAJMVQMPFQA-GOSISDBHSA-N 1 0 326.484 4.101 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000651680211 1024183084 /nfs/dbraw/zinc/18/30/84/1024183084.db2.gz BDTMJCLIFMGVLK-NUJGCVRESA-N 1 0 333.472 4.116 20 30 EIEDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000510685416 1024231109 /nfs/dbraw/zinc/23/11/09/1024231109.db2.gz SSIMLWRAOZMDAB-FCHUYYIVSA-N 1 0 334.463 4.351 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000651710702 1024240708 /nfs/dbraw/zinc/24/07/08/1024240708.db2.gz LAHBDAOEXKZHSQ-NVXWUHKLSA-N 1 0 327.497 4.472 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000661115354 1024241661 /nfs/dbraw/zinc/24/16/61/1024241661.db2.gz BROWWAQFGHYQHH-SWLSCSKDSA-N 1 0 331.847 4.213 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000661116701 1024249312 /nfs/dbraw/zinc/24/93/12/1024249312.db2.gz ZGHLSJMQLFZIQO-KGLIPLIRSA-N 1 0 331.485 4.238 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000661117147 1024250821 /nfs/dbraw/zinc/25/08/21/1024250821.db2.gz PESBYPPDWZIAPS-DZGCQCFKSA-N 1 0 337.423 4.306 20 30 EIEDRO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181762579 1024254557 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C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3cc(C#N)ccn3)cc2)C1 ZINC000341720696 1024468643 /nfs/dbraw/zinc/46/86/43/1024468643.db2.gz HWUNNCDJKFMOAM-IAGOWNOFSA-N 1 0 334.467 4.043 20 30 EIEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341755761 1024607448 /nfs/dbraw/zinc/60/74/48/1024607448.db2.gz ADTNAJAZGUJDHZ-VLIAUNLRSA-N 1 0 336.435 4.304 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000341758515 1024615833 /nfs/dbraw/zinc/61/58/33/1024615833.db2.gz QMUVNRNKKRTLOP-JLTOFOAXSA-N 1 0 336.435 4.304 20 30 EIEDRO CC(C)c1ccccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001167784443 1024652371 /nfs/dbraw/zinc/65/23/71/1024652371.db2.gz IWGMIVYTEFVTTN-QFIPXVFZSA-N 1 0 333.479 4.192 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)c1cccc(C#N)c1 ZINC000178401715 1024661547 /nfs/dbraw/zinc/66/15/47/1024661547.db2.gz CMYBVGUSDNKYBM-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C=CCn1c(SCC[C@@H]2CCC[N@H+]2C)nnc1-c1cccc(C)c1 ZINC000432239491 1024706177 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N#CC1(F)CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000510938180 1024855315 /nfs/dbraw/zinc/85/53/15/1024855315.db2.gz ZZDAPDHVHPUPTO-UHFFFAOYSA-N 1 0 344.352 4.192 20 30 EIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000510978304 1024874274 /nfs/dbraw/zinc/87/42/74/1024874274.db2.gz LHCDDABYEQUUSW-VOJFVSQTSA-N 1 0 328.362 4.183 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000093888796 1024915209 /nfs/dbraw/zinc/91/52/09/1024915209.db2.gz GJELZNYDGVCULC-UPCLLVRISA-N 1 0 343.492 4.182 20 30 EIEDRO COCC1(C#N)CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000341980029 1025018867 /nfs/dbraw/zinc/01/88/67/1025018867.db2.gz CCFCTWOXCPGKFC-CYBMUJFWSA-N 1 0 326.362 4.019 20 30 EIEDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000568144755 1025049087 /nfs/dbraw/zinc/04/90/87/1025049087.db2.gz ZAUCCCIZRQYOBT-PMACEKPBSA-N 1 0 339.870 4.091 20 30 EIEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610830058 1025053116 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CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C12CCCCC2 ZINC001167533991 1025984227 /nfs/dbraw/zinc/98/42/27/1025984227.db2.gz PKYOEVQEMKTHNF-RTBURBONSA-N 1 0 330.447 4.257 20 30 EIEDRO C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000549625998 1026014308 /nfs/dbraw/zinc/01/43/08/1026014308.db2.gz PYJLOSOXKMYUGW-DJJJIMSYSA-N 1 0 345.849 4.304 20 30 EIEDRO N#Cc1cc(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)cs1 ZINC000894481498 1026026604 /nfs/dbraw/zinc/02/66/04/1026026604.db2.gz PRVUBNMAAJKBJV-OAHLLOKOSA-N 1 0 341.263 4.140 20 30 EIEDRO C=C(C)CC[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000449476351 1026055339 /nfs/dbraw/zinc/05/53/39/1026055339.db2.gz MMLDGCAAFVMQCP-UHFFFAOYSA-N 1 0 329.469 4.192 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000550100598 1026099314 /nfs/dbraw/zinc/09/93/14/1026099314.db2.gz JUMBRVLYXKEQBQ-CJNGLKHVSA-N 1 0 338.373 4.457 20 30 EIEDRO C=CCC(CC=C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000467812986 1026137209 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C=C(C)C[N@H+](CCSc1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512182613 1026271898 /nfs/dbraw/zinc/27/18/98/1026271898.db2.gz FEASWDZCDOJABJ-UHFFFAOYSA-N 1 0 335.444 4.081 20 30 EIEDRO CC[C@@H](C)[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1 ZINC000120421966 1026306818 /nfs/dbraw/zinc/30/68/18/1026306818.db2.gz HKOSMWXIVUIJMD-CQSZACIVSA-N 1 0 339.439 4.007 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cs1 ZINC000892224426 1026353606 /nfs/dbraw/zinc/35/36/06/1026353606.db2.gz DMNMXCMEYHBCFF-RDJZCZTQSA-N 1 0 330.453 4.081 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647960394 1026385831 /nfs/dbraw/zinc/38/58/31/1026385831.db2.gz WTWPAZHTZDVFCW-KRWDZBQOSA-N 1 0 346.490 4.098 20 30 EIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000512200234 1026435228 /nfs/dbraw/zinc/43/52/28/1026435228.db2.gz YSDFEUDQPHIEOE-UHFFFAOYSA-N 1 0 339.357 4.369 20 30 EIEDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000512204186 1026459480 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C[NH+](C)CCCOc1ccc(CNc2cc(Cl)ccc2C#N)cc1 ZINC000609893012 1027493625 /nfs/dbraw/zinc/49/36/25/1027493625.db2.gz WGYRDPWGPVLIBP-UHFFFAOYSA-N 1 0 343.858 4.154 20 30 EIEDRO C[N@H+](CC1(c2ccc(Br)cc2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000429692283 1027548377 /nfs/dbraw/zinc/54/83/77/1027548377.db2.gz RWGQOVVWKYUYNT-CJNGLKHVSA-N 1 0 333.273 4.105 20 30 EIEDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c(OC)c1 ZINC000329147746 1027607778 /nfs/dbraw/zinc/60/77/78/1027607778.db2.gz PDYAQLLYHIWLGQ-CABCVRRESA-N 1 0 346.471 4.192 20 30 EIEDRO C[C@H]1CCC[C@H](C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000507746613 1027730561 /nfs/dbraw/zinc/73/05/61/1027730561.db2.gz DOVVHJPNKPOECD-XYCLOBBJSA-N 1 0 327.472 4.059 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1snc(Cl)c1C#N)c1ccsc1 ZINC000052045231 1027825922 /nfs/dbraw/zinc/82/59/22/1027825922.db2.gz BFUYCMJLWWBDHD-LBPRGKRZSA-N 1 0 340.905 4.225 20 30 EIEDRO CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328909373 1027832780 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340.854 4.158 20 30 EIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000281397273 1028584819 /nfs/dbraw/zinc/58/48/19/1028584819.db2.gz QFIKPZWLFRDTGB-AWEZNQCLSA-N 1 0 340.389 4.457 20 30 EIEDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000346664578 1028586191 /nfs/dbraw/zinc/58/61/91/1028586191.db2.gz BGRAQJCIULQPSL-UYAOXDASSA-N 1 0 330.472 4.052 20 30 EIEDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000346664574 1028588056 /nfs/dbraw/zinc/58/80/56/1028588056.db2.gz BGRAQJCIULQPSL-AZUAARDMSA-N 1 0 330.472 4.052 20 30 EIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000281497688 1028653609 /nfs/dbraw/zinc/65/36/09/1028653609.db2.gz GQBVHHLRFNYLKT-RTBURBONSA-N 1 0 335.451 4.108 20 30 EIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000281497672 1028653840 /nfs/dbraw/zinc/65/38/40/1028653840.db2.gz GQBVHHLRFNYLKT-MOPGFXCFSA-N 1 0 335.451 4.108 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000281530094 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C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281976792 1029041297 /nfs/dbraw/zinc/04/12/97/1029041297.db2.gz LOGHJHIOQAOLLI-QFBILLFUSA-N 1 0 330.447 4.309 20 30 EIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cccc(C#N)n2)C1 ZINC000522903037 1029081302 /nfs/dbraw/zinc/08/13/02/1029081302.db2.gz ZQGOXBZCKKKBBE-CALCHBBNSA-N 1 0 334.467 4.043 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(C#N)cc1F ZINC000101558958 1029217866 /nfs/dbraw/zinc/21/78/66/1029217866.db2.gz BHGPHKQDYVWNNM-UHFFFAOYSA-N 1 0 349.409 4.417 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 ZINC000524811905 1029236561 /nfs/dbraw/zinc/23/65/61/1029236561.db2.gz SSBBUYUJGSVUPQ-UHFFFAOYSA-N 1 0 330.431 4.360 20 30 EIEDRO CCCC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000583900972 1029345341 /nfs/dbraw/zinc/34/53/41/1029345341.db2.gz FOYAMOFETUSCBW-HOTGVXAUSA-N 1 0 347.528 4.387 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000583918040 1029364630 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Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000193352396 1029613031 /nfs/dbraw/zinc/61/30/31/1029613031.db2.gz RBNJKHOABSNZKG-RTBURBONSA-N 1 0 340.515 4.020 20 30 EIEDRO N#CCCC[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446884340 1029630068 /nfs/dbraw/zinc/63/00/68/1029630068.db2.gz OXXDTPHCDCEWRX-AWEZNQCLSA-N 1 0 327.653 4.447 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCCC[C@H]2CC(C)C)CC1 ZINC000525438664 1029635132 /nfs/dbraw/zinc/63/51/32/1029635132.db2.gz KHFQGONSHWBVKJ-IBGZPJMESA-N 1 0 335.536 4.027 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000657832433 1029652165 /nfs/dbraw/zinc/65/21/65/1029652165.db2.gz CWUVMRGZBOMPSX-WOJBJXKFSA-N 1 0 326.484 4.034 20 30 EIEDRO COc1cccc(-c2noc([C@H](C)[NH2+]CCCCC(C)(C)C#N)n2)c1 ZINC000278739571 1029765628 /nfs/dbraw/zinc/76/56/28/1029765628.db2.gz LPRCDQIMIPRXKT-AWEZNQCLSA-N 1 0 342.443 4.116 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000657850679 1029779787 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EIEDRO CC(C)(C)OC(=O)NC1(C[NH2+]CC(C)(C)CCC#N)CCCCC1 ZINC000697054270 1030070059 /nfs/dbraw/zinc/07/00/59/1030070059.db2.gz DCBMZNJAJBSMDT-UHFFFAOYSA-N 1 0 337.508 4.134 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447516756 1030111152 /nfs/dbraw/zinc/11/11/52/1030111152.db2.gz HUNRUIQNUZRKGK-RBUKOAKNSA-N 1 0 339.508 4.498 20 30 EIEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000185192230 1030119566 /nfs/dbraw/zinc/11/95/66/1030119566.db2.gz UVWWJOAENLHOEA-UXHICEINSA-N 1 0 330.472 4.052 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1OC1CCCC1 ZINC000447532847 1030135165 /nfs/dbraw/zinc/13/51/65/1030135165.db2.gz VTCJNYKRAZEQLQ-NVXWUHKLSA-N 1 0 328.456 4.189 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000447545277 1030148612 /nfs/dbraw/zinc/14/86/12/1030148612.db2.gz QRRNWJKQZDZODO-DYESRHJHSA-N 1 0 337.442 4.265 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000447547461 1030150915 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XPOBRGFPNPQNKQ-DLBZAZTESA-N 1 0 335.451 4.161 20 30 EIEDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000545208074 1030201145 /nfs/dbraw/zinc/20/11/45/1030201145.db2.gz CDBYFASIFNAPLJ-KRWDZBQOSA-N 1 0 331.341 4.176 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@H]([NH+]4CCCCC4)C3)c2c1 ZINC000447675629 1030267157 /nfs/dbraw/zinc/26/71/57/1030267157.db2.gz NQLCVTZPJYXCHG-IBGZPJMESA-N 1 0 348.494 4.294 20 30 EIEDRO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000187895793 1030375584 /nfs/dbraw/zinc/37/55/84/1030375584.db2.gz GXTSLOGGNGYBHX-QUCCMNQESA-N 1 0 340.511 4.244 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451333022 1030414372 /nfs/dbraw/zinc/41/43/72/1030414372.db2.gz AKDLZRXFGZKJBD-DFQSSKMNSA-N 1 0 326.484 4.003 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCOc3c(C)cccc32)cc1OC ZINC000188945811 1030441049 /nfs/dbraw/zinc/44/10/49/1030441049.db2.gz JQOJNVBTEWZXRJ-SFHVURJKSA-N 1 0 339.435 4.182 20 30 EIEDRO Cc1ccsc1[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527100409 1030482493 /nfs/dbraw/zinc/48/24/93/1030482493.db2.gz DNIJRWRSDVVMEI-ODIFPOPNSA-N 1 0 341.480 4.364 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000024254231 1030510133 /nfs/dbraw/zinc/51/01/33/1030510133.db2.gz DNQYFPJFURYCCP-QGZVFWFLSA-N 1 0 347.890 4.066 20 30 EIEDRO N#CC1(c2ccccn2)CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000374305341 1030532317 /nfs/dbraw/zinc/53/23/17/1030532317.db2.gz IRVRSVQIKDAJOY-IBGZPJMESA-N 1 0 335.426 4.155 20 30 EIEDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000451810352 1030713794 /nfs/dbraw/zinc/71/37/94/1030713794.db2.gz NQRKKCANPVUVCW-HXUWFJFHSA-N 1 0 334.463 4.208 20 30 EIEDRO C=CCC1(C(=O)NCc2cc(C)nc(N3CCCC3)c2)CCCCC1 ZINC000451839898 1030733671 /nfs/dbraw/zinc/73/36/71/1030733671.db2.gz RZTJMEZFNUKNBC-UHFFFAOYSA-N 1 0 341.499 4.133 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1 ZINC000508652389 1030836851 /nfs/dbraw/zinc/83/68/51/1030836851.db2.gz ZFKVBRCZDJPXPI-UHFFFAOYSA-N 1 0 340.492 4.428 20 30 EIEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000612065136 1030844148 /nfs/dbraw/zinc/84/41/48/1030844148.db2.gz HKDISAWOLXLFLT-YADHBBJMSA-N 1 0 334.463 4.352 20 30 EIEDRO CCc1oc2ccccc2c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548859291 1030844661 /nfs/dbraw/zinc/84/46/61/1030844661.db2.gz WEDPHSUVDNOYIO-UHFFFAOYSA-N 1 0 345.446 4.448 20 30 EIEDRO CC(C)[N@H+](CC(=O)Nc1ccccc1SCC#N)C1CC(C)(C)C1 ZINC000452107860 1030845360 /nfs/dbraw/zinc/84/53/60/1030845360.db2.gz UHMLNYATMRUIIO-UHFFFAOYSA-N 1 0 345.512 4.140 20 30 EIEDRO C=CC[C@H](C)NC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000531061669 1030847082 /nfs/dbraw/zinc/84/70/82/1030847082.db2.gz PGWUKUDELSVHBO-XJKSGUPXSA-N 1 0 342.405 4.169 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc(OC)c1O ZINC000527772576 1030852038 /nfs/dbraw/zinc/85/20/38/1030852038.db2.gz NICHANTYYXFDHQ-FQEVSTJZSA-N 1 0 338.451 4.155 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Cl)cc3)CCOCC2)cc1 ZINC000527808833 1030855035 /nfs/dbraw/zinc/85/50/35/1030855035.db2.gz DDTQXQWIKKGBIC-UHFFFAOYSA-N 1 0 326.827 4.007 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cc4ccccc4o3)CCOCC2)cc1 ZINC000527813588 1030856471 /nfs/dbraw/zinc/85/64/71/1030856471.db2.gz YDLMWUVTWSKRSI-UHFFFAOYSA-N 1 0 332.403 4.100 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1)c1ccco1 ZINC000375787695 1030941719 /nfs/dbraw/zinc/94/17/19/1030941719.db2.gz HOBZIUKTQHMTTQ-VQTJNVASSA-N 1 0 339.483 4.184 20 30 EIEDRO CN(C)C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528012277 1031039853 /nfs/dbraw/zinc/03/98/53/1031039853.db2.gz SNYYRYCZYLRRRU-IFIJOSMWSA-N 1 0 340.298 4.268 20 30 EIEDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000179395180 1031051815 /nfs/dbraw/zinc/05/18/15/1031051815.db2.gz WNEOBTKCTPEQDS-JTSKRJEESA-N 1 0 333.479 4.450 20 30 EIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)s1 ZINC000282043413 1031151169 /nfs/dbraw/zinc/15/11/69/1031151169.db2.gz RBGSNEFTQCSPHG-UHFFFAOYSA-N 1 0 326.893 4.324 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179603285 1031226941 /nfs/dbraw/zinc/22/69/41/1031226941.db2.gz IPUAPSXCZNLBSL-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO N#CCCCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102401856 1031257546 /nfs/dbraw/zinc/25/75/46/1031257546.db2.gz NUALYFRSZFHLMT-OAHLLOKOSA-N 1 0 344.846 4.263 20 30 EIEDRO CC(C)[NH+]1CCN(c2cccc(NC3CCC(C)(C#N)CC3)c2)CC1 ZINC000449045764 1031398114 /nfs/dbraw/zinc/39/81/14/1031398114.db2.gz IMBMVUNHSGJOHY-UHFFFAOYSA-N 1 0 340.515 4.101 20 30 EIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449068924 1031419545 /nfs/dbraw/zinc/41/95/45/1031419545.db2.gz VIYDPJLGPJYYMH-UHFFFAOYSA-N 1 0 336.483 4.110 20 30 EIEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449083514 1031438820 /nfs/dbraw/zinc/43/88/20/1031438820.db2.gz BXUPMNHSGGQAHK-FVWXCPNNSA-N 1 0 327.472 4.233 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000449097756 1031441511 /nfs/dbraw/zinc/44/15/11/1031441511.db2.gz MZYYMZUEYKIDAD-VQIMIIECSA-N 1 0 330.472 4.029 20 30 EIEDRO CCOc1cc(C[NH2+]C2CCC(C)(C#N)CC2)ccc1OC(F)F ZINC000449089103 1031449215 /nfs/dbraw/zinc/44/92/15/1031449215.db2.gz JEIGSHBBSWGMKH-UHFFFAOYSA-N 1 0 338.398 4.249 20 30 EIEDRO C[C@@H](C#N)CN(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000343824183 1031542042 /nfs/dbraw/zinc/54/20/42/1031542042.db2.gz BIOKVQJSMQUNOD-HNNXBMFYSA-N 1 0 336.464 4.192 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1nc(-c2ccncc2)cs1 ZINC000449220326 1031551110 /nfs/dbraw/zinc/55/11/10/1031551110.db2.gz CRCOOAMOMMBVMN-MJJDPTRDSA-N 1 0 326.469 4.328 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(Cc2cccs2)CC1)c1ccc(C#N)cc1 ZINC000365200180 1031553795 /nfs/dbraw/zinc/55/37/95/1031553795.db2.gz VXPMBYBMGPRDFK-HXUWFJFHSA-N 1 0 339.508 4.325 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000179887095 1031554060 /nfs/dbraw/zinc/55/40/60/1031554060.db2.gz AHUSPMDHSWDHKR-GOSISDBHSA-N 1 0 348.475 4.357 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)ccc1OC ZINC000531759389 1031557269 /nfs/dbraw/zinc/55/72/69/1031557269.db2.gz NZDMTMSSMVPHJU-OAHLLOKOSA-N 1 0 325.399 4.318 20 30 EIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]Cc1ccnc(C#N)c1 ZINC000612489838 1031579385 /nfs/dbraw/zinc/57/93/85/1031579385.db2.gz UCNYEGHKWCJINL-STQMWFEESA-N 1 0 333.357 4.254 20 30 EIEDRO C=CCN(CCc1ccccc1)Cc1nc(-c2cccs2)no1 ZINC000065959525 1031621091 /nfs/dbraw/zinc/62/10/91/1031621091.db2.gz QFCDZOGSKMMBKO-UHFFFAOYSA-N 1 0 325.437 4.029 20 30 EIEDRO C=CCN(CCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1F ZINC000065959808 1031621563 /nfs/dbraw/zinc/62/15/63/1031621563.db2.gz XEDFIYPQRRBEAP-UHFFFAOYSA-N 1 0 346.833 4.148 20 30 EIEDRO C=CCN(CCc1ccccc1)Cc1nc(-c2cccc(C)c2)no1 ZINC000065959505 1031622473 /nfs/dbraw/zinc/62/24/73/1031622473.db2.gz NCVGXRIFWQEOGI-UHFFFAOYSA-N 1 0 333.435 4.276 20 30 EIEDRO CC(C)COc1ccc(C(C)(C)C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000236664798 1031625858 /nfs/dbraw/zinc/62/58/58/1031625858.db2.gz HEUSOLORKSTYTN-UHFFFAOYSA-N 1 0 326.440 4.253 20 30 EIEDRO CC(C)OC(=O)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449332261 1031630303 /nfs/dbraw/zinc/63/03/03/1031630303.db2.gz QLEONEZYLFSAMZ-FDYSRKEFSA-N 1 0 328.456 4.131 20 30 EIEDRO C[NH+]1CCC(Oc2ccc(Cl)cc2NCCC(C)(C)C#N)CC1 ZINC000453140006 1031643977 /nfs/dbraw/zinc/64/39/77/1031643977.db2.gz FUUOEMLVZUUYMK-UHFFFAOYSA-N 1 0 335.879 4.165 20 30 EIEDRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446385 1031742589 /nfs/dbraw/zinc/74/25/89/1031742589.db2.gz QBNVMJQOOAEGKQ-OBJOEFQTSA-N 1 0 339.252 4.191 20 30 EIEDRO N#CCC1(C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453224042 1031743748 /nfs/dbraw/zinc/74/37/48/1031743748.db2.gz TUFTYIBCYPQZKB-INIZCTEOSA-N 1 0 333.273 4.054 20 30 EIEDRO C=C(C)CC[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000449477237 1031774881 /nfs/dbraw/zinc/77/48/81/1031774881.db2.gz OSAZXNBHAGPPTG-UHFFFAOYSA-N 1 0 333.432 4.023 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000449465037 1031785397 /nfs/dbraw/zinc/78/53/97/1031785397.db2.gz ATMZKQOYJFCGNM-FQEVSTJZSA-N 1 0 327.516 4.327 20 30 EIEDRO CO[C@@](C)(C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000449484561 1031791022 /nfs/dbraw/zinc/79/10/22/1031791022.db2.gz MXUUKAJSEFYDAL-NRFANRHFSA-N 1 0 338.451 4.021 20 30 EIEDRO COc1ccc(C[NH2+]CC(C)(C)C2CCC2)cc1OCCCC#N ZINC000449485483 1031793344 /nfs/dbraw/zinc/79/33/44/1031793344.db2.gz NDCDPCWCULDTNT-UHFFFAOYSA-N 1 0 330.472 4.294 20 30 EIEDRO C=CCC1([NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)CCCCC1 ZINC000449576314 1031857609 /nfs/dbraw/zinc/85/76/09/1031857609.db2.gz RPRSQWKBGRLIRP-UHFFFAOYSA-N 1 0 333.501 4.027 20 30 EIEDRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000531957443 1031874729 /nfs/dbraw/zinc/87/47/29/1031874729.db2.gz GKOOGAYRNLGAFQ-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C=CCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2OC)CCCC1 ZINC000449605491 1031879023 /nfs/dbraw/zinc/87/90/23/1031879023.db2.gz NMUOIEHVCMQARP-INIZCTEOSA-N 1 0 330.472 4.138 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000453353309 1031882014 /nfs/dbraw/zinc/88/20/14/1031882014.db2.gz LGBWBPSEJPYXDZ-XJKSGUPXSA-N 1 0 346.496 4.105 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000359977306 1031902429 /nfs/dbraw/zinc/90/24/29/1031902429.db2.gz KHVYRZOZIYFGGT-IBGZPJMESA-N 1 0 338.451 4.181 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000453366426 1031909125 /nfs/dbraw/zinc/90/91/25/1031909125.db2.gz RSPGBOMTIYYDNW-YOEHRIQHSA-N 1 0 330.497 4.020 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000453371785 1031918079 /nfs/dbraw/zinc/91/80/79/1031918079.db2.gz UXUZBSQRDHLALB-MLGOLLRUSA-N 1 0 334.460 4.235 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2cccs2)C1)c1ccc(C#N)cc1F ZINC000453402279 1031939558 /nfs/dbraw/zinc/93/95/58/1031939558.db2.gz ZUTXLTPDPHTQSW-JDFRZJQESA-N 1 0 330.428 4.330 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccco1 ZINC000453391023 1031957777 /nfs/dbraw/zinc/95/77/77/1031957777.db2.gz XVQJGAYKBOSZOP-OGWHTMIXSA-N 1 0 343.471 4.270 20 30 EIEDRO C=CCC1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000449803961 1032027716 /nfs/dbraw/zinc/02/77/16/1032027716.db2.gz LHJRKXHUXAGQQT-UHFFFAOYSA-N 1 0 340.511 4.151 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)s1 ZINC000382454431 1033332957 /nfs/dbraw/zinc/33/29/57/1033332957.db2.gz RKTQAORZUAQUIP-UHFFFAOYSA-N 1 0 334.444 4.489 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000512567355 1033384492 /nfs/dbraw/zinc/38/44/92/1033384492.db2.gz AEVNZOXNONQGJQ-UHFFFAOYSA-N 1 0 341.451 4.337 20 30 EIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)CCO2 ZINC000614160943 1033533534 /nfs/dbraw/zinc/53/35/34/1033533534.db2.gz XTMUNZLORUYGPV-RTWAWAEBSA-N 1 0 348.446 4.448 20 30 EIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1Cl ZINC000512624858 1033536349 /nfs/dbraw/zinc/53/63/49/1033536349.db2.gz KNXSVLAVNGRDSF-STQMWFEESA-N 1 0 332.806 4.469 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)c1ccc(C#N)cc1F ZINC000512624857 1033537084 /nfs/dbraw/zinc/53/70/84/1033537084.db2.gz KNXSVLAVNGRDSF-QWHCGFSZSA-N 1 0 332.806 4.469 20 30 EIEDRO CC(C)(C#N)c1ccc(CN(Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000614167317 1033555169 /nfs/dbraw/zinc/55/51/69/1033555169.db2.gz NZJWHRVHCZGHHB-UHFFFAOYSA-N 1 0 344.462 4.413 20 30 EIEDRO Cc1ccccc1[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614168592 1033556833 /nfs/dbraw/zinc/55/68/33/1033556833.db2.gz LBMAYLVVCFTNGV-NRFANRHFSA-N 1 0 334.463 4.370 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512634199 1033564655 /nfs/dbraw/zinc/56/46/55/1033564655.db2.gz BTEFTEPDFXGKTF-VPZZIHKRSA-N 1 0 330.378 4.263 20 30 EIEDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512635168 1033570918 /nfs/dbraw/zinc/57/09/18/1033570918.db2.gz GIXDPVFWUQLIAB-GJZGRUSLSA-N 1 0 342.414 4.072 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(C#N)cc1F ZINC000512647145 1033603192 /nfs/dbraw/zinc/60/31/92/1033603192.db2.gz GPPMXESFBPRTQX-CABCVRRESA-N 1 0 334.398 4.295 20 30 EIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614179895 1033605899 /nfs/dbraw/zinc/60/58/99/1033605899.db2.gz REMJTZGIXOKRAW-CQSZACIVSA-N 1 0 326.415 4.486 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nnc2ccccn21 ZINC000614182710 1033625440 /nfs/dbraw/zinc/62/54/40/1033625440.db2.gz DZRFCWYMGXOQFI-LJQANCHMSA-N 1 0 347.466 4.017 20 30 EIEDRO CCCCCn1cc(CN[C@H](C)c2ccc(C#N)cc2F)c(C)n1 ZINC000512656470 1033627720 /nfs/dbraw/zinc/62/77/20/1033627720.db2.gz ZWEQBENPZILWAR-OAHLLOKOSA-N 1 0 328.435 4.243 20 30 EIEDRO Cc1cnc([C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C2CC2)s1 ZINC000614184851 1033637039 /nfs/dbraw/zinc/63/70/39/1033637039.db2.gz AKWWUJZQHKMNTB-KRWDZBQOSA-N 1 0 325.481 4.494 20 30 EIEDRO CCc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)N(C)C)cc1 ZINC000512666932 1033668219 /nfs/dbraw/zinc/66/82/19/1033668219.db2.gz MUJYWIZUCHQZIL-YCRPNKLZSA-N 1 0 339.458 4.213 20 30 EIEDRO C[C@@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433023288 1033680654 /nfs/dbraw/zinc/68/06/54/1033680654.db2.gz OMLLHCSLZZEXHZ-RXVVDRJESA-N 1 0 349.478 4.231 20 30 EIEDRO CCc1ccccc1NC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433024904 1033683187 /nfs/dbraw/zinc/68/31/87/1033683187.db2.gz ZTGZFDYBIFCYEV-IBGZPJMESA-N 1 0 335.451 4.212 20 30 EIEDRO C[C@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc(C#N)cc1F ZINC000512674768 1033683276 /nfs/dbraw/zinc/68/32/76/1033683276.db2.gz YULOEBREGKSZQH-HNNXBMFYSA-N 1 0 349.409 4.365 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)Oc1cccc(C)c1 ZINC000236990237 1033893602 /nfs/dbraw/zinc/89/36/02/1033893602.db2.gz KFJHLRVXBGTMRB-MJGOQNOKSA-N 1 0 338.451 4.233 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)CCS2 ZINC000453371286 1034030417 /nfs/dbraw/zinc/03/04/17/1034030417.db2.gz GBENOBVDDWQHQK-KRWDZBQOSA-N 1 0 328.412 4.033 20 30 EIEDRO OCC1([C@@H]([NH2+]CC#Cc2cccc(Cl)c2)c2ccccc2)CCC1 ZINC000433296506 1034200342 /nfs/dbraw/zinc/20/03/42/1034200342.db2.gz SQKIGCNAIYULQD-FQEVSTJZSA-N 1 0 339.866 4.185 20 30 EIEDRO Cc1ccc(CC(C)(C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000419330199 1034308499 /nfs/dbraw/zinc/30/84/99/1034308499.db2.gz HUJKIQGFVHUAAB-UHFFFAOYSA-N 1 0 346.434 4.028 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC(c3noc(C(C)C)n3)CC2)c1 ZINC000513039672 1034349311 /nfs/dbraw/zinc/34/93/11/1034349311.db2.gz CJRXZPGZSMDXMW-UHFFFAOYSA-N 1 0 341.455 4.137 20 30 EIEDRO N#Cc1cccc(C[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000067223759 1034394338 /nfs/dbraw/zinc/39/43/38/1034394338.db2.gz RCFHFZUPHDCPRP-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO Cn1cc(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)c2ccc(F)cc21 ZINC000571368132 1034461189 /nfs/dbraw/zinc/46/11/89/1034461189.db2.gz KHBJQTNAXLUDEP-FQEVSTJZSA-N 1 0 333.410 4.009 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000614396880 1034538340 /nfs/dbraw/zinc/53/83/40/1034538340.db2.gz XGWPSPOQHRSXMQ-FCHUYYIVSA-N 1 0 334.463 4.466 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000614396659 1034538901 /nfs/dbraw/zinc/53/89/01/1034538901.db2.gz BDTICANZBCKWNS-NRFANRHFSA-N 1 0 338.426 4.187 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000614402640 1034551592 /nfs/dbraw/zinc/55/15/92/1034551592.db2.gz OBCNKDCABQPDRK-JOCHJYFZSA-N 1 0 334.463 4.129 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cc1F ZINC000513116414 1034590960 /nfs/dbraw/zinc/59/09/60/1034590960.db2.gz FBNOZFFDASHSFF-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO CCOc1ccc(C#N)cc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000500974206 1034638304 /nfs/dbraw/zinc/63/83/04/1034638304.db2.gz ORCXZPYGQYJHKN-UHFFFAOYSA-N 1 0 335.451 4.033 20 30 EIEDRO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934877 1034669128 /nfs/dbraw/zinc/66/91/28/1034669128.db2.gz ZKPMWUIQUTVMKV-IAGOWNOFSA-N 1 0 349.478 4.037 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2CCC(F)(F)C2)ccc1OC ZINC000430001267 1034848216 /nfs/dbraw/zinc/84/82/16/1034848216.db2.gz CPGYBOYMPHUUQV-HNNXBMFYSA-N 1 0 325.399 4.175 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)nc1 ZINC000760013216 1034865224 /nfs/dbraw/zinc/86/52/24/1034865224.db2.gz WIKGQGGBKVDYCI-NRFANRHFSA-N 1 0 331.394 4.166 20 30 EIEDRO COc1ccccc1CC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000513292828 1034869789 /nfs/dbraw/zinc/86/97/89/1034869789.db2.gz YGJVHCRAJSZVLV-UHFFFAOYSA-N 1 0 326.465 4.083 20 30 EIEDRO C=CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000664212318 1035066960 /nfs/dbraw/zinc/06/69/60/1035066960.db2.gz IJCIOZYQJJIMPP-NVXWUHKLSA-N 1 0 349.544 4.175 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000513650731 1035080126 /nfs/dbraw/zinc/08/01/26/1035080126.db2.gz QRODEWRGSHBIHI-ZDUSSCGKSA-N 1 0 328.847 4.148 20 30 EIEDRO C[C@]1(O)CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000280094699 1035154380 /nfs/dbraw/zinc/15/43/80/1035154380.db2.gz OPYLFBAHGFWXIU-QFIPXVFZSA-N 1 0 348.490 4.123 20 30 EIEDRO Cc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)ccc1Br ZINC000501050720 1035359501 /nfs/dbraw/zinc/35/95/01/1035359501.db2.gz GOYOJJPLWZHMDF-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccco1 ZINC000513713978 1035439271 /nfs/dbraw/zinc/43/92/71/1035439271.db2.gz WDQPKJCXFHZTTC-OAHLLOKOSA-N 1 0 327.403 4.145 20 30 EIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)o1 ZINC000594983160 1035513820 /nfs/dbraw/zinc/51/38/20/1035513820.db2.gz GHRTUSJCYNBAGG-DNVCBOLYSA-N 1 0 336.435 4.070 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C2CCC3(CC3(F)F)CC2)c1 ZINC000594983843 1035516232 /nfs/dbraw/zinc/51/62/32/1035516232.db2.gz PIGPGIFRPJSNDO-UHFFFAOYSA-N 1 0 334.410 4.427 20 30 EIEDRO C[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000594980939 1035516606 /nfs/dbraw/zinc/51/66/06/1035516606.db2.gz DLHUPDWPKPUONU-QUCCMNQESA-N 1 0 325.500 4.103 20 30 EIEDRO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594990400 1035519800 /nfs/dbraw/zinc/51/98/00/1035519800.db2.gz PYTJPXZBCNYBJX-LEWJYISDSA-N 1 0 334.463 4.090 20 30 EIEDRO COc1ccc(C[NH2+]C(C)(C2CC2)C2CC2)cc1OCCCC#N ZINC000594992165 1035521204 /nfs/dbraw/zinc/52/12/04/1035521204.db2.gz CGEKJHLKVLCYTN-UHFFFAOYSA-N 1 0 328.456 4.046 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(C#N)cc2)ccc1SC ZINC000595057885 1035538281 /nfs/dbraw/zinc/53/82/81/1035538281.db2.gz YGBXHVZOQYCNLR-CQSZACIVSA-N 1 0 326.465 4.182 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cncc(Br)c1 ZINC000595042196 1035565844 /nfs/dbraw/zinc/56/58/44/1035565844.db2.gz JUEDARPLSDNYGZ-PIGZYNQJSA-N 1 0 342.240 4.054 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000484996247 1035567930 /nfs/dbraw/zinc/56/79/30/1035567930.db2.gz WVBHZIDGQHCQDX-UHFFFAOYSA-N 1 0 347.871 4.124 20 30 EIEDRO Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000595101664 1035588266 /nfs/dbraw/zinc/58/82/66/1035588266.db2.gz YUYVWOUDYVJZCF-HXUWFJFHSA-N 1 0 334.467 4.117 20 30 EIEDRO C[C@H](O)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000595104256 1035589945 /nfs/dbraw/zinc/58/99/45/1035589945.db2.gz RKKTXAHXFUBCAQ-MPWLDHFDSA-N 1 0 334.463 4.102 20 30 EIEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)c2ccccc21 ZINC000595090217 1035597597 /nfs/dbraw/zinc/59/75/97/1035597597.db2.gz FZORMLIBQFCPNV-RTBURBONSA-N 1 0 340.467 4.232 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)Nc1cccc(C#N)c1 ZINC000575027123 1035657012 /nfs/dbraw/zinc/65/70/12/1035657012.db2.gz QNASELCOEGUOHI-KBPBESRZSA-N 1 0 349.459 4.451 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000595355591 1035668810 /nfs/dbraw/zinc/66/88/10/1035668810.db2.gz CSJMHOKRXIHWMV-GOSISDBHSA-N 1 0 331.419 4.122 20 30 EIEDRO CC[N@H+](CCC1CCN([C@@H](C#N)c2ccccc2)CC1)CC1CC1 ZINC000595409815 1035672979 /nfs/dbraw/zinc/67/29/79/1035672979.db2.gz IUQJSIHJQVGPAW-NRFANRHFSA-N 1 0 325.500 4.085 20 30 EIEDRO N#C[C@H](c1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000595503343 1035688252 /nfs/dbraw/zinc/68/82/52/1035688252.db2.gz RYMUCWSYSTXWPN-JOCHJYFZSA-N 1 0 345.490 4.239 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[NH2+][C@H]3CCCC34CCCCC4)o2)cc1 ZINC000595606280 1035745709 /nfs/dbraw/zinc/74/57/09/1035745709.db2.gz WULZVHJGXDHQEV-KRWDZBQOSA-N 1 0 336.439 4.201 20 30 EIEDRO C[C@@H](Oc1ccc([C@H](C)[NH2+]CCOCCC#N)cc1)c1ccccc1 ZINC000595683688 1035757182 /nfs/dbraw/zinc/75/71/82/1035757182.db2.gz YCDJXRKTHUYTFJ-ZWKOTPCHSA-N 1 0 338.451 4.407 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CCCCc3ccccc3)CCOCC2)c1 ZINC000595764158 1035777391 /nfs/dbraw/zinc/77/73/91/1035777391.db2.gz FLIKINWCRNHXQT-UHFFFAOYSA-N 1 0 334.463 4.176 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CCc3ccc(Cl)cc3)CCOCC2)c1 ZINC000595768916 1035778347 /nfs/dbraw/zinc/77/83/47/1035778347.db2.gz MAFRCAQYCHWKBZ-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](CSc2ccccc2)C(C)C)CC1 ZINC000491037747 1035781671 /nfs/dbraw/zinc/78/16/71/1035781671.db2.gz ONOKFKKPAGUTGU-HXUWFJFHSA-N 1 0 332.557 4.433 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)cc1F ZINC000595753715 1035785418 /nfs/dbraw/zinc/78/54/18/1035785418.db2.gz SQZCBSXFSNOSDA-GOSISDBHSA-N 1 0 346.446 4.072 20 30 EIEDRO CC(C)CC1([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000595831684 1035801451 /nfs/dbraw/zinc/80/14/51/1035801451.db2.gz PHLBBSSHHZYEIT-OAHLLOKOSA-N 1 0 345.512 4.188 20 30 EIEDRO C[C@H](C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000491182560 1035816053 /nfs/dbraw/zinc/81/60/53/1035816053.db2.gz LQTMOAVRYUHVFD-QGZVFWFLSA-N 1 0 344.462 4.194 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cnccc2C(F)(F)F)cc1 ZINC000596061240 1035817566 /nfs/dbraw/zinc/81/75/66/1035817566.db2.gz DZSUFUKFPNUFRG-UHFFFAOYSA-N 1 0 333.357 4.191 20 30 EIEDRO CCC1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000491185056 1035822614 /nfs/dbraw/zinc/82/26/14/1035822614.db2.gz YSZHNLWRSMIRLS-UHFFFAOYSA-N 1 0 336.483 4.359 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)ccn1 ZINC000586773999 1035834636 /nfs/dbraw/zinc/83/46/36/1035834636.db2.gz UHQQCMCUNUOJTG-LJQANCHMSA-N 1 0 327.378 4.015 20 30 EIEDRO CCOc1cc2[nH+]ccc(N3CCC[C@H](CC#N)C3)c2cc1OCC ZINC000596330728 1035854338 /nfs/dbraw/zinc/85/43/38/1035854338.db2.gz NUQQFUGKELAMSA-OAHLLOKOSA-N 1 0 339.439 4.162 20 30 EIEDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000420920480 1035875022 /nfs/dbraw/zinc/87/50/22/1035875022.db2.gz BDZBAUORFLZVLP-HXUWFJFHSA-N 1 0 344.474 4.323 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000513732720 1035890011 /nfs/dbraw/zinc/89/00/11/1035890011.db2.gz JEOYZFWZMFTHMX-KNQAVFIVSA-N 1 0 332.447 4.205 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000485471311 1035921965 /nfs/dbraw/zinc/92/19/65/1035921965.db2.gz YTFLBUJQTQGFGD-CALCHBBNSA-N 1 0 346.540 4.063 20 30 EIEDRO FC(F)C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccccc1 ZINC000421001497 1035938460 /nfs/dbraw/zinc/93/84/60/1035938460.db2.gz XCIZEIFIBUWVDT-NSHDSACASA-N 1 0 347.274 4.187 20 30 EIEDRO C[NH+](C)Cc1ccc(F)c(-c2cccc(C3(C#N)CCOCC3)c2)c1 ZINC000596640443 1035959633 /nfs/dbraw/zinc/95/96/33/1035959633.db2.gz JNABCNGFDRTFOE-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO C[C@H](Cc1ccsc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000571447938 1036044958 /nfs/dbraw/zinc/04/49/58/1036044958.db2.gz KHPMTSGLBYVNOG-CQSZACIVSA-N 1 0 344.455 4.233 20 30 EIEDRO N#CC1(CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CCCCC1 ZINC000596907234 1036047863 /nfs/dbraw/zinc/04/78/63/1036047863.db2.gz WERLQCKTUWGLIP-UHFFFAOYSA-N 1 0 339.483 4.128 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CCCCC2)c([N+](=O)[O-])c1 ZINC000571689182 1036122547 /nfs/dbraw/zinc/12/25/47/1036122547.db2.gz RXOMSLDNJSUYTC-UHFFFAOYSA-N 1 0 335.407 4.416 20 30 EIEDRO N#CC[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597172545 1036125963 /nfs/dbraw/zinc/12/59/63/1036125963.db2.gz CLFYQESHVUKNRG-SFHVURJKSA-N 1 0 345.446 4.263 20 30 EIEDRO C[C@H](c1ccc(F)cc1F)N1CCCN(c2ccccc2C#N)CC1 ZINC000060468822 1036135384 /nfs/dbraw/zinc/13/53/84/1036135384.db2.gz PGEZWRUTMWDJMH-OAHLLOKOSA-N 1 0 341.405 4.110 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CC4(CCC4)[C@H]3C3CCOCC3)cc2)CC1 ZINC000597162755 1036136103 /nfs/dbraw/zinc/13/61/03/1036136103.db2.gz YLMVJIBJCMXJDQ-HXUWFJFHSA-N 1 0 336.479 4.023 20 30 EIEDRO N#Cc1cc(-c2ccc([C@@H]3[NH2+]CCc4nc[nH]c43)cc2)ccc1C1CC1 ZINC000906199301 1036141893 /nfs/dbraw/zinc/14/18/93/1036141893.db2.gz NYAFQRXNLHKQKT-NRFANRHFSA-N 1 0 340.430 4.061 20 30 EIEDRO Cc1cc([C@@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)c(O)cc1Cl ZINC000597224090 1036169485 /nfs/dbraw/zinc/16/94/85/1036169485.db2.gz XHFOCYSPKJTFGJ-CYBMUJFWSA-N 1 0 332.856 4.277 20 30 EIEDRO N#CCCCCCC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601725618 1036228295 /nfs/dbraw/zinc/22/82/95/1036228295.db2.gz AUUXLMBRNUOTJC-FQEVSTJZSA-N 1 0 341.499 4.021 20 30 EIEDRO N#CC1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CC2(CC2)C1 ZINC000601967270 1036301970 /nfs/dbraw/zinc/30/19/70/1036301970.db2.gz FNFSSTHBMKCQKN-UHFFFAOYSA-N 1 0 348.450 4.058 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)s1 ZINC000421357124 1036332896 /nfs/dbraw/zinc/33/28/96/1036332896.db2.gz ZIAAAAUAFWHZMS-UHFFFAOYSA-N 1 0 345.899 4.027 20 30 EIEDRO CCC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C[C@H](C)CCC#N ZINC000602433570 1036447056 /nfs/dbraw/zinc/44/70/56/1036447056.db2.gz MYZKBYDHDTTYFZ-CYBMUJFWSA-N 1 0 346.862 4.141 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000572229084 1036466649 /nfs/dbraw/zinc/46/66/49/1036466649.db2.gz ZMIUDUBNEOZDHY-HNNXBMFYSA-N 1 0 328.378 4.048 20 30 EIEDRO Cc1cccc(C)c1OC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)C ZINC000572274469 1036482282 /nfs/dbraw/zinc/48/22/82/1036482282.db2.gz CJEUITJUYPIEDY-MSOLQXFVSA-N 1 0 327.472 4.130 20 30 EIEDRO N#Cc1ccc(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c(F)c1 ZINC000602540248 1036489564 /nfs/dbraw/zinc/48/95/64/1036489564.db2.gz YAWIOGQOJVJFGR-SIKLNZKXSA-N 1 0 349.453 4.155 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000602566416 1036496342 /nfs/dbraw/zinc/49/63/42/1036496342.db2.gz HTKRBLKUBRLHBA-RBSFLKMASA-N 1 0 332.410 4.044 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000602572838 1036500573 /nfs/dbraw/zinc/50/05/73/1036500573.db2.gz TXKPFEJAWRNQTO-RHSMWYFYSA-N 1 0 346.446 4.116 20 30 EIEDRO C[C@H](NC1(C[NH2+]C2CCC(C#N)CC2)CCCC1)c1ccccc1 ZINC000602551076 1036501191 /nfs/dbraw/zinc/50/11/91/1036501191.db2.gz BTTLEFVAAXQNJG-ZJRDLVKKSA-N 1 0 325.500 4.322 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000602600579 1036505149 /nfs/dbraw/zinc/50/51/49/1036505149.db2.gz OSSBYZZSRRGUNC-XJKSGUPXSA-N 1 0 326.362 4.019 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000602578565 1036507083 /nfs/dbraw/zinc/50/70/83/1036507083.db2.gz NXAOMXGCPPHADO-SIIHOXLZSA-N 1 0 337.870 4.001 20 30 EIEDRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602579664 1036509686 /nfs/dbraw/zinc/50/96/86/1036509686.db2.gz ABAOCYSMISAGKU-IOASZLSFSA-N 1 0 339.277 4.055 20 30 EIEDRO CN1CC[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000602578936 1036511468 /nfs/dbraw/zinc/51/14/68/1036511468.db2.gz PWXKAITYDHMZPM-SIKLZNNZSA-N 1 0 349.881 4.144 20 30 EIEDRO N#CC1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000602643848 1036537839 /nfs/dbraw/zinc/53/78/39/1036537839.db2.gz LZLDDVHJUPYKTE-PESDSKBTSA-N 1 0 338.282 4.244 20 30 EIEDRO Cc1cc(NC2CCC(C#N)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000602633961 1036544624 /nfs/dbraw/zinc/54/46/24/1036544624.db2.gz MYFIGVPJTOJAML-UHFFFAOYSA-N 1 0 340.515 4.020 20 30 EIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602633836 1036547137 /nfs/dbraw/zinc/54/71/37/1036547137.db2.gz ZZELMEUZXUFQGD-DCBWTQNWSA-N 1 0 337.261 4.191 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000602672132 1036553640 /nfs/dbraw/zinc/55/36/40/1036553640.db2.gz OBBFSLSBJVVFIE-UGSOOPFHSA-N 1 0 334.410 4.031 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602661378 1036556615 /nfs/dbraw/zinc/55/66/15/1036556615.db2.gz DRWIDAICDSAQMJ-UYAOXDASSA-N 1 0 325.500 4.274 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cnc(C(=O)OCC)s1)c1ccccc1 ZINC000602808807 1036630898 /nfs/dbraw/zinc/63/08/98/1036630898.db2.gz ZRAVSLSSUVLLPG-INIZCTEOSA-N 1 0 330.453 4.117 20 30 EIEDRO CC1=Nc2ccccc2C12CC[NH+](Cc1cccc(C#N)c1F)CC2 ZINC000602866154 1036659951 /nfs/dbraw/zinc/65/99/51/1036659951.db2.gz UMHMFHCIFPJZKI-UHFFFAOYSA-N 1 0 333.410 4.337 20 30 EIEDRO Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000602917530 1036678035 /nfs/dbraw/zinc/67/80/35/1036678035.db2.gz MAHMVPBXHONBGX-UHFFFAOYSA-N 1 0 343.430 4.274 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602979157 1036690081 /nfs/dbraw/zinc/69/00/81/1036690081.db2.gz ANAPWIYPMYIMHP-RXVVDRJESA-N 1 0 347.462 4.306 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1C ZINC000589158392 1036698634 /nfs/dbraw/zinc/69/86/34/1036698634.db2.gz LNANUWSEMUGPBI-UHFFFAOYSA-N 1 0 338.451 4.296 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000598601518 1036701830 /nfs/dbraw/zinc/70/18/30/1036701830.db2.gz GSOCAKSYYVCKIO-HRAATJIYSA-N 1 0 347.462 4.177 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000598601519 1036702856 /nfs/dbraw/zinc/70/28/56/1036702856.db2.gz GSOCAKSYYVCKIO-IERDGZPVSA-N 1 0 347.462 4.177 20 30 EIEDRO CC(C)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598603514 1036706440 /nfs/dbraw/zinc/70/64/40/1036706440.db2.gz VALDBTCFFKBSSO-HOTGVXAUSA-N 1 0 342.405 4.293 20 30 EIEDRO C[C@]1(C2CCCCC2)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000603029821 1036709402 /nfs/dbraw/zinc/70/94/02/1036709402.db2.gz PXOOOBSXEXXFIV-HXUWFJFHSA-N 1 0 336.439 4.153 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000598589483 1036710377 /nfs/dbraw/zinc/71/03/77/1036710377.db2.gz IVBZMXLIYFLZLM-OAHLLOKOSA-N 1 0 336.426 4.010 20 30 EIEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598613770 1036714042 /nfs/dbraw/zinc/71/40/42/1036714042.db2.gz XMBHMLSMNSJTBM-MSOLQXFVSA-N 1 0 342.508 4.231 20 30 EIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3ccc(C#N)cc31)CCO2 ZINC000589343917 1036740922 /nfs/dbraw/zinc/74/09/22/1036740922.db2.gz HGQGYQNIFQYMFP-UXHICEINSA-N 1 0 334.419 4.058 20 30 EIEDRO Cc1cc([NH+]2CCCCCC2)ccc1NCc1nc(C#N)cs1 ZINC000589319209 1036745400 /nfs/dbraw/zinc/74/54/00/1036745400.db2.gz IMPFXDAUNUZYIF-UHFFFAOYSA-N 1 0 326.469 4.316 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1OC(F)F ZINC000192946313 1036747461 /nfs/dbraw/zinc/74/74/61/1036747461.db2.gz SGTKDDWJRYPNGI-KRWDZBQOSA-N 1 0 346.377 4.431 20 30 EIEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000502867422 1036752597 /nfs/dbraw/zinc/75/25/97/1036752597.db2.gz MAHSXTYTAFNLDJ-XHSDSOJGSA-N 1 0 345.512 4.045 20 30 EIEDRO C[C@]1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)OCCc2sccc21 ZINC000589348804 1036759476 /nfs/dbraw/zinc/75/94/76/1036759476.db2.gz DMSDDAAKFDXAJU-UYAOXDASSA-N 1 0 338.476 4.075 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)ccc1C#N ZINC000367092455 1036796047 /nfs/dbraw/zinc/79/60/47/1036796047.db2.gz FIICRPNCEWCNOO-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C(C)C)c(F)c1 ZINC000421856563 1036809278 /nfs/dbraw/zinc/80/92/78/1036809278.db2.gz OHZHJQHSMXFNKV-IBGZPJMESA-N 1 0 330.378 4.332 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1OC(F)F ZINC000421886489 1036836139 /nfs/dbraw/zinc/83/61/39/1036836139.db2.gz RXUDAIXIUJAHNM-VIFPVBQESA-N 1 0 326.343 4.211 20 30 EIEDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1OC1CC1 ZINC000598981959 1036841153 /nfs/dbraw/zinc/84/11/53/1036841153.db2.gz SEKOKDXSVVBIDB-UHFFFAOYSA-N 1 0 336.435 4.133 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cc(Br)cs1 ZINC000421895047 1036845563 /nfs/dbraw/zinc/84/55/63/1036845563.db2.gz YIZGCVXAEPGFBD-MRVPVSSYSA-N 1 0 327.272 4.295 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(C#N)s2)cc1 ZINC000486773434 1036846574 /nfs/dbraw/zinc/84/65/74/1036846574.db2.gz DIKBWKOSFGAQAO-CQSZACIVSA-N 1 0 339.464 4.246 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)ccc1C#N ZINC000599013868 1036851426 /nfs/dbraw/zinc/85/14/26/1036851426.db2.gz NYWSJFLULIVCFJ-SFHVURJKSA-N 1 0 349.261 4.387 20 30 EIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cc(F)c(Br)cc1F ZINC000599045171 1036855220 /nfs/dbraw/zinc/85/52/20/1036855220.db2.gz FTGTVNJBYFUDET-SECBINFHSA-N 1 0 329.188 4.072 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1 ZINC000599057339 1036865226 /nfs/dbraw/zinc/86/52/26/1036865226.db2.gz CQHIFGQUBTUTNN-SJLPKXTDSA-N 1 0 342.487 4.064 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000589743012 1036869580 /nfs/dbraw/zinc/86/95/80/1036869580.db2.gz WSJIQCNGGHRYKI-QAJUQPOASA-N 1 0 326.484 4.018 20 30 EIEDRO N#Cc1ccc(CNc2ccc(SCC[NH+]3CCCC3)cc2)s1 ZINC000593677636 1036880061 /nfs/dbraw/zinc/88/00/61/1036880061.db2.gz BUXXAUJNTSSWDU-UHFFFAOYSA-N 1 0 343.521 4.420 20 30 EIEDRO C/C(=C\c1ccccc1)C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692999 1036893107 /nfs/dbraw/zinc/89/31/07/1036893107.db2.gz LAOUVWYOKIYHKY-XMHGGMMESA-N 1 0 345.490 4.216 20 30 EIEDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc21 ZINC000593691188 1036895989 /nfs/dbraw/zinc/89/59/89/1036895989.db2.gz PFFWFXGBHUFDLA-VQTJNVASSA-N 1 0 348.446 4.218 20 30 EIEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693411 1036898310 /nfs/dbraw/zinc/89/83/10/1036898310.db2.gz XVBXAZAOGSQDOK-GCJKJVERSA-N 1 0 337.511 4.105 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H]1OCCc2sccc21 ZINC000589949229 1036898542 /nfs/dbraw/zinc/89/85/42/1036898542.db2.gz VTPJFGMEAGVBEO-YHJVDBJQSA-N 1 0 338.476 4.289 20 30 EIEDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1C#N ZINC000599276958 1036934215 /nfs/dbraw/zinc/93/42/15/1036934215.db2.gz HALUILSWXKOWQS-IRLDBZIGSA-N 1 0 334.463 4.466 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1ccc(C#N)cc1 ZINC000593721807 1036936823 /nfs/dbraw/zinc/93/68/23/1036936823.db2.gz LVBUPYNWIVZZFE-RTWAWAEBSA-N 1 0 344.462 4.316 20 30 EIEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000599316881 1036951981 /nfs/dbraw/zinc/95/19/81/1036951981.db2.gz GETMKJIPSLFLCA-YADHBBJMSA-N 1 0 348.490 4.395 20 30 EIEDRO CCC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599349129 1036963198 /nfs/dbraw/zinc/96/31/98/1036963198.db2.gz KPOUMWKVXJKKAM-JKSUJKDBSA-N 1 0 340.389 4.191 20 30 EIEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000599353496 1036967693 /nfs/dbraw/zinc/96/76/93/1036967693.db2.gz HWTCZOLQSAOVJB-JKSUJKDBSA-N 1 0 340.389 4.047 20 30 EIEDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1C#N ZINC000599437847 1037010399 /nfs/dbraw/zinc/01/03/99/1037010399.db2.gz UBQVUSFLNWXEFP-NRFANRHFSA-N 1 0 332.447 4.220 20 30 EIEDRO N#CC1(CCC[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000599516131 1037045049 /nfs/dbraw/zinc/04/50/49/1037045049.db2.gz NYLHTSGQNCCVNN-QGZVFWFLSA-N 1 0 348.437 4.245 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C(F)(F)F)n1 ZINC000590779092 1037162800 /nfs/dbraw/zinc/16/28/00/1037162800.db2.gz LINPHMFJYBHTKY-INIZCTEOSA-N 1 0 331.341 4.139 20 30 EIEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000272485542 1037198944 /nfs/dbraw/zinc/19/89/44/1037198944.db2.gz BPSSFNQJCAMBNR-UHFFFAOYSA-N 1 0 340.858 4.231 20 30 EIEDRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000590957390 1037211734 /nfs/dbraw/zinc/21/17/34/1037211734.db2.gz WQFQGHFYQRMERI-GFCCVEGCSA-N 1 0 336.464 4.304 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCOCCc1ccccc1)CC2 ZINC000573048666 1037241153 /nfs/dbraw/zinc/24/11/53/1037241153.db2.gz OCADTPYNSMQJHC-JOCHJYFZSA-N 1 0 334.463 4.175 20 30 EIEDRO C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000591066741 1037283963 /nfs/dbraw/zinc/28/39/63/1037283963.db2.gz KCXJTVJHRWNCAW-QGZVFWFLSA-N 1 0 347.462 4.035 20 30 EIEDRO Cc1cc2cc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)ccc2[nH]1 ZINC000573116009 1037343265 /nfs/dbraw/zinc/34/32/65/1037343265.db2.gz APDIXVIJUUMBDK-UHFFFAOYSA-N 1 0 344.462 4.107 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000488131275 1037378507 /nfs/dbraw/zinc/37/85/07/1037378507.db2.gz XGUZWBNVHOAGEK-MRXNPFEDSA-N 1 0 340.492 4.456 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C1CCC(C(C)(C)C)CC1 ZINC000604414835 1037381821 /nfs/dbraw/zinc/38/18/21/1037381821.db2.gz SFPYVNNLGUIALA-UHFFFAOYSA-N 1 0 347.528 4.485 20 30 EIEDRO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521485 1037399126 /nfs/dbraw/zinc/39/91/26/1037399126.db2.gz MKFJUBSZVOMJQN-RXVVDRJESA-N 1 0 338.426 4.297 20 30 EIEDRO CC(C)[N@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccc(C#N)cc1 ZINC000604491864 1037406724 /nfs/dbraw/zinc/40/67/24/1037406724.db2.gz KEZLCUPFCCMIEC-UHFFFAOYSA-N 1 0 338.842 4.270 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCOc2ccc3ccccc3c2)cc1 ZINC000171562976 1037485895 /nfs/dbraw/zinc/48/58/95/1037485895.db2.gz YWTFKBUHOAZUMY-KRWDZBQOSA-N 1 0 346.430 4.299 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488294677 1037490591 /nfs/dbraw/zinc/49/05/91/1037490591.db2.gz HNIKBSLYKJBCLW-NHCUHLMSSA-N 1 0 338.426 4.358 20 30 EIEDRO CC1(C)C[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2cc(N)ccc2O1 ZINC000591579372 1037505062 /nfs/dbraw/zinc/50/50/62/1037505062.db2.gz SWYVTUKQRQQEQI-PMACEKPBSA-N 1 0 347.462 4.410 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cc4ccc(F)cc4[nH]3)CC2)cc1 ZINC000488354814 1037538802 /nfs/dbraw/zinc/53/88/02/1037538802.db2.gz LVUNAKMWKQWFBI-UHFFFAOYSA-N 1 0 331.394 4.468 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000591856338 1037642581 /nfs/dbraw/zinc/64/25/81/1037642581.db2.gz XLUBXZHQQUXIEK-FQEVSTJZSA-N 1 0 338.495 4.269 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760909618 1037659362 /nfs/dbraw/zinc/65/93/62/1037659362.db2.gz WVXLAJZVJBHIKX-APKLWFBNSA-N 1 0 346.474 4.356 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768672 1037661019 /nfs/dbraw/zinc/66/10/19/1037661019.db2.gz GBKCLKYPLCTHLM-QGZVFWFLSA-N 1 0 337.467 4.286 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cccc3c2NCCC3)c1 ZINC000894272513 1037715325 /nfs/dbraw/zinc/71/53/25/1037715325.db2.gz CLEBGVDMFINWBI-LJQANCHMSA-N 1 0 335.451 4.015 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@H](C)c2ccccc21)C(C)C ZINC000503436253 1037756323 /nfs/dbraw/zinc/75/63/23/1037756323.db2.gz JUVKFBLYBFGUSM-PXNSSMCTSA-N 1 0 341.499 4.018 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(SC)c1)C(C)C ZINC000503440213 1037763355 /nfs/dbraw/zinc/76/33/55/1037763355.db2.gz UMQUXKOFBJILKW-GOSISDBHSA-N 1 0 347.528 4.229 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(SC)cc1)C(C)C ZINC000503441173 1037763595 /nfs/dbraw/zinc/76/35/95/1037763595.db2.gz NSKRDRRRRLAAHV-GOSISDBHSA-N 1 0 347.528 4.229 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000503582359 1037820088 /nfs/dbraw/zinc/82/00/88/1037820088.db2.gz YWVJNESPBTVHNI-ZDUSSCGKSA-N 1 0 329.241 4.214 20 30 EIEDRO CCCC[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCc2ncsc2C1 ZINC000592527469 1037826053 /nfs/dbraw/zinc/82/60/53/1037826053.db2.gz AKURSXSSQWQFOX-CYBMUJFWSA-N 1 0 331.510 4.236 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000172112582 1037856980 /nfs/dbraw/zinc/85/69/80/1037856980.db2.gz MLJZSZZDIPTSIF-SFHVURJKSA-N 1 0 327.424 4.164 20 30 EIEDRO C=CCCCN(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000605834890 1037865233 /nfs/dbraw/zinc/86/52/33/1037865233.db2.gz TYUZYCCNFPXPNY-KRWDZBQOSA-N 1 0 349.544 4.129 20 30 EIEDRO CC[C@@H](OCC[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000593028422 1037901826 /nfs/dbraw/zinc/90/18/26/1037901826.db2.gz FWIJNSKNFNEHCR-HXUWFJFHSA-N 1 0 349.478 4.107 20 30 EIEDRO COc1ccc(C2CC[NH+](CCC3(C#N)CCCCC3)CC2)nc1 ZINC000593037031 1037905447 /nfs/dbraw/zinc/90/54/47/1037905447.db2.gz NLVVLNXUTSVKLM-UHFFFAOYSA-N 1 0 327.472 4.134 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccccc3Br)CCC2)cc1 ZINC000593038837 1037906606 /nfs/dbraw/zinc/90/66/06/1037906606.db2.gz IYXYRVKDLVBAOI-UHFFFAOYSA-N 1 0 341.252 4.490 20 30 EIEDRO C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CCCCC(C)(C)C#N)CC2)n1 ZINC000593075161 1037977413 /nfs/dbraw/zinc/97/74/13/1037977413.db2.gz ANJGSMBWUZWCNN-NVXWUHKLSA-N 1 0 344.503 4.168 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CNc3ccccc3C2)CC1 ZINC000593320523 1038062546 /nfs/dbraw/zinc/06/25/46/1038062546.db2.gz STZITACBMNNHBU-SNCIUUNGSA-N 1 0 331.463 4.017 20 30 EIEDRO C=C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000489479283 1038071031 /nfs/dbraw/zinc/07/10/31/1038071031.db2.gz ONYVAEUQALIIRZ-ZDUSSCGKSA-N 1 0 327.255 4.363 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653078 1038116745 /nfs/dbraw/zinc/11/67/45/1038116745.db2.gz AYTZIGFSXGWFOX-CQSZACIVSA-N 1 0 333.863 4.039 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C#N)CCCC2)cc1Cl ZINC000593653072 1038116897 /nfs/dbraw/zinc/11/68/97/1038116897.db2.gz ATHPYUCFSDYQHH-CQSZACIVSA-N 1 0 333.863 4.039 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc(Br)c3)CCC2)cc1 ZINC000594032028 1038227879 /nfs/dbraw/zinc/22/78/79/1038227879.db2.gz APAWNYVJMKJPRI-UHFFFAOYSA-N 1 0 341.252 4.490 20 30 EIEDRO COc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)ccc1SC ZINC000594031868 1038229030 /nfs/dbraw/zinc/22/90/30/1038229030.db2.gz MQMRFEIFYDSGAI-UHFFFAOYSA-N 1 0 338.476 4.458 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1noc2ccccc21 ZINC000593959134 1038230266 /nfs/dbraw/zinc/23/02/66/1038230266.db2.gz HAUPYOARYQWRAB-ICSRJNTNSA-N 1 0 331.419 4.142 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)s1 ZINC000594038114 1038265412 /nfs/dbraw/zinc/26/54/12/1038265412.db2.gz JDZPYHIZSPLRBO-UHFFFAOYSA-N 1 0 338.354 4.297 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000594434660 1038332805 /nfs/dbraw/zinc/33/28/05/1038332805.db2.gz QUYVFZHFHWAHJU-SFHVURJKSA-N 1 0 347.890 4.022 20 30 EIEDRO CC(C)Cc1ccc([C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594424888 1038340460 /nfs/dbraw/zinc/34/04/60/1038340460.db2.gz DKZWMDBAWKZUIM-PMACEKPBSA-N 1 0 343.515 4.110 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499957 1038348797 /nfs/dbraw/zinc/34/87/97/1038348797.db2.gz IFYBBXVULOJHPM-YWZLYKJASA-N 1 0 340.442 4.493 20 30 EIEDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2ccccc21 ZINC000594504272 1038351124 /nfs/dbraw/zinc/35/11/24/1038351124.db2.gz HRQPQXJIAJNXAD-HXUWFJFHSA-N 1 0 347.462 4.075 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCC(F)(F)CC1 ZINC000594516083 1038357762 /nfs/dbraw/zinc/35/77/62/1038357762.db2.gz AXAJVZMBBKOMNG-HNNXBMFYSA-N 1 0 347.453 4.331 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594520176 1038360044 /nfs/dbraw/zinc/36/00/44/1038360044.db2.gz IJUNVPCTRZMORW-JZAWBGDQSA-N 1 0 334.504 4.051 20 30 EIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1nc2ccccc2n1C 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C=CCCc1ccccc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000505050169 1038949309 /nfs/dbraw/zinc/94/93/09/1038949309.db2.gz AFWQOEJRPKQCQL-UHFFFAOYSA-N 1 0 329.488 4.193 20 30 EIEDRO N#Cc1cc2c(nc1NC[C@@H](c1ccccc1)[NH+]1CCCC1)CCCC2 ZINC000505074446 1038967585 /nfs/dbraw/zinc/96/75/85/1038967585.db2.gz SQPKHOKVTSNLGK-NRFANRHFSA-N 1 0 346.478 4.081 20 30 EIEDRO N#CC1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000057906420 1039020500 /nfs/dbraw/zinc/02/05/00/1039020500.db2.gz VKZNBEGLRUAQFZ-UHFFFAOYSA-N 1 0 342.446 4.275 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCc4ccc(F)cc43)CC2)cc1 ZINC000552054059 1039074705 /nfs/dbraw/zinc/07/47/05/1039074705.db2.gz IJUVVTITZBQAPU-JOCHJYFZSA-N 1 0 349.453 4.333 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000552057181 1039075753 /nfs/dbraw/zinc/07/57/53/1039075753.db2.gz IXVPVMWNZGEYIO-KSEOMHKRSA-N 1 0 337.438 4.118 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1)C1CC1 ZINC000120330367 1039086420 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EIEDRO C=CCC1(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000456481675 1039373664 /nfs/dbraw/zinc/37/36/64/1039373664.db2.gz CCYCVHWJDDIQLT-UHFFFAOYSA-N 1 0 340.511 4.151 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000481391691 1039374009 /nfs/dbraw/zinc/37/40/09/1039374009.db2.gz MREFBHNSOFPEEC-KUHUBIRLSA-N 1 0 331.818 4.196 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000481391689 1039375793 /nfs/dbraw/zinc/37/57/93/1039375793.db2.gz MREFBHNSOFPEEC-AUUYWEPGSA-N 1 0 331.818 4.196 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1OC)C1CC1 ZINC000121516888 1039384783 /nfs/dbraw/zinc/38/47/83/1039384783.db2.gz STZMZVSNRBFDKV-OAHLLOKOSA-N 1 0 336.863 4.012 20 30 EIEDRO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000481438875 1039416110 /nfs/dbraw/zinc/41/61/10/1039416110.db2.gz XREFPOIPMBDDNS-IBGZPJMESA-N 1 0 335.451 4.251 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000192864321 1039478607 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349.478 4.362 20 30 EIEDRO C=C(C)COc1cc(C[N@H+](CC)CCc2nccs2)ccc1OC ZINC000093764733 1039746794 /nfs/dbraw/zinc/74/67/94/1039746794.db2.gz OOBFUNOWANMOOY-UHFFFAOYSA-N 1 0 346.496 4.171 20 30 EIEDRO N#CC[C@@H]1CCCN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)C1 ZINC000899877809 1039764534 /nfs/dbraw/zinc/76/45/34/1039764534.db2.gz WTUFJEGEHQPPRV-LBPRGKRZSA-N 1 0 335.329 4.263 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCOc2ccccc2C)ccc1OC ZINC000060949808 1039778620 /nfs/dbraw/zinc/77/86/20/1039778620.db2.gz BCHWPPFIKUQJSF-UHFFFAOYSA-N 1 0 341.451 4.127 20 30 EIEDRO N#Cc1ccc(CN2Cc3ccccc3C3(CC3)C2)c(OC(F)F)c1 ZINC000481728968 1039791980 /nfs/dbraw/zinc/79/19/80/1039791980.db2.gz LWOBNJZDAJASRN-UHFFFAOYSA-N 1 0 340.373 4.207 20 30 EIEDRO Cc1oc(NC(=O)CN(C)[C@@H](C)c2ccc(C)cc2C)c(C#N)c1C ZINC000434706860 1039817907 /nfs/dbraw/zinc/81/79/07/1039817907.db2.gz OMXAHFHNAJNCTJ-HNNXBMFYSA-N 1 0 339.439 4.016 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1Cl ZINC000430090576 1039827246 /nfs/dbraw/zinc/82/72/46/1039827246.db2.gz ODAUYYKZHZZBNZ-CVEARBPZSA-N 1 0 327.802 4.382 20 30 EIEDRO C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000478560403 1039827788 /nfs/dbraw/zinc/82/77/88/1039827788.db2.gz LRYGVECBLDHLRS-VQTJNVASSA-N 1 0 340.511 4.102 20 30 EIEDRO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924983390 1039837743 /nfs/dbraw/zinc/83/77/43/1039837743.db2.gz BJRCFNKAQOKJCM-INIZCTEOSA-N 1 0 325.456 4.033 20 30 EIEDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)cc1OCCCC#N ZINC000430094474 1039838732 /nfs/dbraw/zinc/83/87/32/1039838732.db2.gz KITILQRHDIXAGM-FQEVSTJZSA-N 1 0 342.483 4.388 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)c(F)c1 ZINC000481818441 1039839273 /nfs/dbraw/zinc/83/92/73/1039839273.db2.gz TZOKQQSXUKWXEW-UHFFFAOYSA-N 1 0 332.781 4.468 20 30 EIEDRO C=CCC1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC1 ZINC000478691931 1039864368 /nfs/dbraw/zinc/86/43/68/1039864368.db2.gz MNIYXVSEVUXCTC-SFHVURJKSA-N 1 0 346.902 4.340 20 30 EIEDRO C=C(C)CN(CC)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000514438264 1039891584 /nfs/dbraw/zinc/89/15/84/1039891584.db2.gz PSJRZWOKUJOGBH-KRWDZBQOSA-N 1 0 349.544 4.129 20 30 EIEDRO C=CC[C@H](C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000505584803 1039965060 /nfs/dbraw/zinc/96/50/60/1039965060.db2.gz BYJSAYKVIYVQBO-QMMLZNLJSA-N 1 0 336.479 4.154 20 30 EIEDRO C=CCC[C@@H](NC(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000434966251 1039968041 /nfs/dbraw/zinc/96/80/41/1039968041.db2.gz JTYIDPQRWTTYJA-HXUWFJFHSA-N 1 0 343.515 4.114 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+][C@@H]3CCCC34CCCC4)CC2)nc1 ZINC000551086717 1039968407 /nfs/dbraw/zinc/96/84/07/1039968407.db2.gz BMNXNPZTQKBAAO-CTWPCTMYSA-N 1 0 339.483 4.346 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)c2ccccc12 ZINC000434976721 1039975676 /nfs/dbraw/zinc/97/56/76/1039975676.db2.gz DEDDYOKMDROAOD-UHFFFAOYSA-N 1 0 334.394 4.491 20 30 EIEDRO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000478966439 1040048698 /nfs/dbraw/zinc/04/86/98/1040048698.db2.gz ZGVDULCUUMUUQT-UHFFFAOYSA-N 1 0 328.337 4.061 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000551274333 1040115081 /nfs/dbraw/zinc/11/50/81/1040115081.db2.gz OGFIVEBJWVWEAG-GGXPGOJBSA-N 1 0 332.463 4.068 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000551274335 1040116886 /nfs/dbraw/zinc/11/68/86/1040116886.db2.gz OGFIVEBJWVWEAG-IUVQAAGXSA-N 1 0 332.463 4.068 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)c2c1 ZINC000553337779 1040147525 /nfs/dbraw/zinc/14/75/25/1040147525.db2.gz VAXYOVBDNHQFPY-QFBILLFUSA-N 1 0 348.494 4.293 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000535353878 1040213835 /nfs/dbraw/zinc/21/38/35/1040213835.db2.gz HHGNTMFSJLWSDE-KRWDZBQOSA-N 1 0 347.462 4.379 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000667468563 1040268336 /nfs/dbraw/zinc/26/83/36/1040268336.db2.gz PZSFGYBPMZGLHW-YJBOKZPZSA-N 1 0 329.488 4.130 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000667468562 1040269745 /nfs/dbraw/zinc/26/97/45/1040269745.db2.gz PZSFGYBPMZGLHW-QAPCUYQASA-N 1 0 329.488 4.130 20 30 EIEDRO CO[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1cccc(Cl)c1 ZINC000174641695 1040325556 /nfs/dbraw/zinc/32/55/56/1040325556.db2.gz HUUPVXFDQBHOEB-AUUYWEPGSA-N 1 0 344.842 4.108 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccs1 ZINC000160140951 1040379222 /nfs/dbraw/zinc/37/92/22/1040379222.db2.gz SGQHZYCECDWGIY-UKRRQHHQSA-N 1 0 329.444 4.078 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000924723281 1040455939 /nfs/dbraw/zinc/45/59/39/1040455939.db2.gz ZRDQCXACQLOWAO-HNNXBMFYSA-N 1 0 327.472 4.233 20 30 EIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000515088906 1040473671 /nfs/dbraw/zinc/47/36/71/1040473671.db2.gz CIKIDYUFKWVKHO-HNNXBMFYSA-N 1 0 328.431 4.054 20 30 EIEDRO C=C(C)CN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428786604 1040477126 /nfs/dbraw/zinc/47/71/26/1040477126.db2.gz OCROFPWVRAMUDC-QFIPXVFZSA-N 1 0 335.495 4.124 20 30 EIEDRO C=CCCCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000479577115 1040488037 /nfs/dbraw/zinc/48/80/37/1040488037.db2.gz JHEQUZFPAXAQDH-UHFFFAOYSA-N 1 0 328.500 4.424 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)o1)Oc1cccc(C(F)(F)F)c1 ZINC000539511210 1040506845 /nfs/dbraw/zinc/50/68/45/1040506845.db2.gz BYDJBZVTFIDYQH-ZDUSSCGKSA-N 1 0 338.329 4.117 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000551721705 1040533080 /nfs/dbraw/zinc/53/30/80/1040533080.db2.gz FONMWJGBVZLSED-UHFFFAOYSA-N 1 0 344.842 4.124 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccs1 ZINC000482880895 1040547953 /nfs/dbraw/zinc/54/79/53/1040547953.db2.gz BZHNOHRNPANDHD-NVXWUHKLSA-N 1 0 343.471 4.469 20 30 EIEDRO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cnc3ccc(C#N)cn13)CCC2 ZINC000539564233 1040558021 /nfs/dbraw/zinc/55/80/21/1040558021.db2.gz OVFVYTYWUNQLIQ-NRFANRHFSA-N 1 0 344.462 4.497 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000435750192 1040583480 /nfs/dbraw/zinc/58/34/80/1040583480.db2.gz XBSQKTNCZNPRBU-UGKGYDQZSA-N 1 0 337.463 4.433 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000435732746 1040587331 /nfs/dbraw/zinc/58/73/31/1040587331.db2.gz RJMIELSMZHGUOM-SWLSCSKDSA-N 1 0 333.781 4.430 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)cc1OC ZINC000435732611 1040588640 /nfs/dbraw/zinc/58/86/40/1040588640.db2.gz PYAWPZYRMWCGND-UAPYVXQJSA-N 1 0 341.426 4.435 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000539609368 1040606896 /nfs/dbraw/zinc/60/68/96/1040606896.db2.gz FNSDESNLNMNTHS-KBXCAEBGSA-N 1 0 329.419 4.024 20 30 EIEDRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539609321 1040607843 /nfs/dbraw/zinc/60/78/43/1040607843.db2.gz FANKAEISGZNCBV-CABCVRRESA-N 1 0 342.414 4.072 20 30 EIEDRO C[C@H]([NH2+]CCCCOCCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539609774 1040609561 /nfs/dbraw/zinc/60/95/61/1040609561.db2.gz MPUFPZVWOQDQEV-KRWDZBQOSA-N 1 0 340.442 4.387 20 30 EIEDRO CC[N@H+](Cc1ccc(Br)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000483173275 1040744563 /nfs/dbraw/zinc/74/45/63/1040744563.db2.gz ZLQPAKUVFZLHFO-GFCCVEGCSA-N 1 0 333.229 4.497 20 30 EIEDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CCC#N ZINC000554074852 1040775987 /nfs/dbraw/zinc/77/59/87/1040775987.db2.gz ITSAFPFTYPGXKF-AWEZNQCLSA-N 1 0 335.473 4.385 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1Cl ZINC000554085510 1040791702 /nfs/dbraw/zinc/79/17/02/1040791702.db2.gz KSROHSMLHVMJRP-OCCSQVGLSA-N 1 0 349.261 4.292 20 30 EIEDRO C=CCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CCC)C2)cc1Cl ZINC000539821367 1040814348 /nfs/dbraw/zinc/81/43/48/1040814348.db2.gz CDBHFVNYEVCJNQ-KRWDZBQOSA-N 1 0 336.907 4.069 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]Cc2cccc(OC3CCCC3)c2)cc1 ZINC000462762736 1040901114 /nfs/dbraw/zinc/90/11/14/1040901114.db2.gz NITHOGNYUMQRPJ-UHFFFAOYSA-N 1 0 336.435 4.048 20 30 EIEDRO CN(CCC(C)(C)C#N)Cc1cc(Br)ccc1Cl ZINC000554264949 1040925517 /nfs/dbraw/zinc/92/55/17/1040925517.db2.gz WFYBGTLKFVAZOX-UHFFFAOYSA-N 1 0 329.669 4.474 20 30 EIEDRO Cc1nsc(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000515657513 1040931521 /nfs/dbraw/zinc/93/15/21/1040931521.db2.gz WMIJFKDRYHNALF-WMLDXEAASA-N 1 0 340.496 4.036 20 30 EIEDRO CC(C)(C#N)CCCC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000554277429 1040963621 /nfs/dbraw/zinc/96/36/21/1040963621.db2.gz HMXYLQBRELFQQX-DLBZAZTESA-N 1 0 332.513 4.207 20 30 EIEDRO C[C@@H](c1ccccc1)[N@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000505781309 1041012467 /nfs/dbraw/zinc/01/24/67/1041012467.db2.gz FJURXGGFADOLAD-INIZCTEOSA-N 1 0 333.435 4.112 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436277154 1041022227 /nfs/dbraw/zinc/02/22/27/1041022227.db2.gz WNJDBBQJPAFOGZ-UHFFFAOYSA-N 1 0 339.439 4.202 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000436286839 1041037087 /nfs/dbraw/zinc/03/70/87/1041037087.db2.gz BIKUURIUORAMES-QMMLZNLJSA-N 1 0 329.484 4.497 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000924652010 1041038222 /nfs/dbraw/zinc/03/82/22/1041038222.db2.gz BJLPIJITQBSXMI-INIZCTEOSA-N 1 0 326.440 4.414 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC000483930226 1041070051 /nfs/dbraw/zinc/07/00/51/1041070051.db2.gz OWLQAAJUJMTXBP-OAHLLOKOSA-N 1 0 326.415 4.159 20 30 EIEDRO C[C@H]1C[C@@H](N(C)CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000483934925 1041070108 /nfs/dbraw/zinc/07/01/08/1041070108.db2.gz YUQFKEMVMBHNDM-REWPJTCUSA-N 1 0 332.491 4.023 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000436310435 1041096946 /nfs/dbraw/zinc/09/69/46/1041096946.db2.gz UTHDRAZXVWCEEV-MRUHUIDDSA-N 1 0 325.452 4.480 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000484090230 1041115749 /nfs/dbraw/zinc/11/57/49/1041115749.db2.gz APZZKKRVJKYPQI-SGTLLEGYSA-N 1 0 332.806 4.217 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1OCC ZINC000538166235 1041123964 /nfs/dbraw/zinc/12/39/64/1041123964.db2.gz NZFJSMCAQIVLAO-INIZCTEOSA-N 1 0 341.426 4.325 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1OCC ZINC000538166236 1041124799 /nfs/dbraw/zinc/12/47/99/1041124799.db2.gz NZFJSMCAQIVLAO-MRXNPFEDSA-N 1 0 341.426 4.325 20 30 EIEDRO CC[C@H](CSc1ccc(C)c(C)c1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000480288422 1041163781 /nfs/dbraw/zinc/16/37/81/1041163781.db2.gz YOBNXIJDMGTHLL-QGZVFWFLSA-N 1 0 327.497 4.174 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@H](C)CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000540147905 1041172852 /nfs/dbraw/zinc/17/28/52/1041172852.db2.gz ZONVTSZZDMBHER-CZUORRHYSA-N 1 0 342.405 4.169 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000540151758 1041198628 /nfs/dbraw/zinc/19/86/28/1041198628.db2.gz UFAITNYAHVPBKI-RAUXBKROSA-N 1 0 326.488 4.145 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000538261549 1041209575 /nfs/dbraw/zinc/20/95/75/1041209575.db2.gz UMMFNORNPDSPTL-QFBILLFUSA-N 1 0 325.452 4.340 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000540170766 1041213655 /nfs/dbraw/zinc/21/36/55/1041213655.db2.gz WDNGYKWPIRFNGL-UHFFFAOYSA-N 1 0 330.475 4.395 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000540171870 1041213805 /nfs/dbraw/zinc/21/38/05/1041213805.db2.gz FIVBULDLEVROTO-HNNXBMFYSA-N 1 0 326.465 4.151 20 30 EIEDRO CCOC(C)(C)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000436416389 1041219513 /nfs/dbraw/zinc/21/95/13/1041219513.db2.gz SAUWUVSEXMJSOU-UHFFFAOYSA-N 1 0 338.451 4.042 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000538287238 1041223707 /nfs/dbraw/zinc/22/37/07/1041223707.db2.gz WJXYBJJSFUOJTD-SJORKVTESA-N 1 0 349.544 4.004 20 30 EIEDRO CC[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CCOCC1 ZINC000540179675 1041242826 /nfs/dbraw/zinc/24/28/26/1041242826.db2.gz ANUDDPGWKSKETI-SOAGJPPSSA-N 1 0 342.483 4.043 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3CC(=O)c3ccccc3)cc2)CC1 ZINC000667670248 1041274598 /nfs/dbraw/zinc/27/45/98/1041274598.db2.gz IIECTKMUGOSSLU-NRFANRHFSA-N 1 0 344.458 4.479 20 30 EIEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1ccc(C#N)s1 ZINC000538400973 1041299823 /nfs/dbraw/zinc/29/98/23/1041299823.db2.gz JQYZBCUFXLQLPC-QGZVFWFLSA-N 1 0 332.444 4.342 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000538406984 1041302168 /nfs/dbraw/zinc/30/21/68/1041302168.db2.gz BXEFWCVIUNJLMA-GKCIPKSASA-N 1 0 339.870 4.308 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000540290152 1041356874 /nfs/dbraw/zinc/35/68/74/1041356874.db2.gz GLZLWVZAMUHRJU-CJNGLKHVSA-N 1 0 327.378 4.084 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480557046 1041390709 /nfs/dbraw/zinc/39/07/09/1041390709.db2.gz RYHGCIFUSCGVCS-SJORKVTESA-N 1 0 345.918 4.298 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538507701 1041395835 /nfs/dbraw/zinc/39/58/35/1041395835.db2.gz YYKACJIJLQCXMQ-JXFKEZNVSA-N 1 0 337.442 4.013 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(C#N)c(F)c1 ZINC000538508480 1041396340 /nfs/dbraw/zinc/39/63/40/1041396340.db2.gz OLPCUAHJFVNTKQ-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538511198 1041397251 /nfs/dbraw/zinc/39/72/51/1041397251.db2.gz QZGKCAQFUONZEI-KGLIPLIRSA-N 1 0 340.398 4.098 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CCC)c2ccc(Cl)cc2)CC1 ZINC000668370450 1041407322 /nfs/dbraw/zinc/40/73/22/1041407322.db2.gz XUKYYEHSCHMAGA-IBGZPJMESA-N 1 0 348.918 4.380 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)ccc1OC ZINC000538530700 1041407650 /nfs/dbraw/zinc/40/76/50/1041407650.db2.gz DDYFGTXOXZPKBB-OALUTQOASA-N 1 0 347.499 4.333 20 30 EIEDRO CCC(CC)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000540376790 1041412967 /nfs/dbraw/zinc/41/29/67/1041412967.db2.gz SAMUTXUNQJJOOQ-IBGZPJMESA-N 1 0 341.480 4.325 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)C1CC1 ZINC000538556246 1041418978 /nfs/dbraw/zinc/41/89/78/1041418978.db2.gz IJRQDOAPJVFMGM-HZPDHXFCSA-N 1 0 336.426 4.201 20 30 EIEDRO Clc1ccccc1C#CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000540397168 1041439797 /nfs/dbraw/zinc/43/97/97/1041439797.db2.gz FRRMXNCSVLXNCD-ICSRJNTNSA-N 1 0 325.839 4.059 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000540397093 1041440526 /nfs/dbraw/zinc/44/05/26/1041440526.db2.gz IDWOZYOZWOCHMV-NVXWUHKLSA-N 1 0 342.508 4.270 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000554842006 1041442683 /nfs/dbraw/zinc/44/26/83/1041442683.db2.gz BEBFGQNRUFPHQW-NSHDSACASA-N 1 0 348.233 4.154 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000554844202 1041443768 /nfs/dbraw/zinc/44/37/68/1041443768.db2.gz VKZWTZYKWGTCEP-OAHLLOKOSA-N 1 0 329.403 4.001 20 30 EIEDRO C[C@H](NC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000463243824 1041451351 /nfs/dbraw/zinc/45/13/51/1041451351.db2.gz UMSBRPGUYCNXNZ-BJLQDIEVSA-N 1 0 325.500 4.322 20 30 EIEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463244796 1041451607 /nfs/dbraw/zinc/45/16/07/1041451607.db2.gz VUWXJGMRHBJVSA-XUJVJEKNSA-N 1 0 339.252 4.191 20 30 EIEDRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000554848896 1041453978 /nfs/dbraw/zinc/45/39/78/1041453978.db2.gz RYGTVIGVUXCNRG-KBPBESRZSA-N 1 0 341.842 4.198 20 30 EIEDRO Cn1cc(C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)cc1C#N ZINC000554874303 1041466286 /nfs/dbraw/zinc/46/62/86/1041466286.db2.gz UYXMNMOWBIZWQY-UHFFFAOYSA-N 1 0 347.384 4.328 20 30 EIEDRO CC1(C)CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000463283494 1041472397 /nfs/dbraw/zinc/47/23/97/1041472397.db2.gz UBDZIZAESMCKNW-FQEVSTJZSA-N 1 0 325.500 4.081 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000538684407 1041479961 /nfs/dbraw/zinc/47/99/61/1041479961.db2.gz HYVVLEDALCWXRI-UHFFFAOYSA-N 1 0 341.842 4.306 20 30 EIEDRO CC(C)c1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000463287601 1041486793 /nfs/dbraw/zinc/48/67/93/1041486793.db2.gz JJIDEUBKNVXHMG-UHFFFAOYSA-N 1 0 347.506 4.436 20 30 EIEDRO CC[NH+](CC)[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000425636336 1041503871 /nfs/dbraw/zinc/50/38/71/1041503871.db2.gz JPQUOSPIRBYPAO-LAUBAEHRSA-N 1 0 349.478 4.161 20 30 EIEDRO Cc1cc([C@H]([NH2+]CCCC2(C#N)CCOCC2)C2CC2)ccc1F ZINC000282096910 1041533346 /nfs/dbraw/zinc/53/33/46/1041533346.db2.gz VSRFTNUSEWECHH-LJQANCHMSA-N 1 0 330.447 4.275 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC(C)(C)C ZINC000463371308 1041538039 /nfs/dbraw/zinc/53/80/39/1041538039.db2.gz PEOSBJGKBGFLSQ-HNNXBMFYSA-N 1 0 347.528 4.245 20 30 EIEDRO C[C@H]([NH2+]CCc1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000540598793 1041553494 /nfs/dbraw/zinc/55/34/94/1041553494.db2.gz SVKDVXXDXVIWKA-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540606626 1041561520 /nfs/dbraw/zinc/56/15/20/1041561520.db2.gz OJMLCLUOEWMMGT-UZUQRXQVSA-N 1 0 345.490 4.046 20 30 EIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCO[C@H]21 ZINC000540609726 1041562287 /nfs/dbraw/zinc/56/22/87/1041562287.db2.gz YOONVFHDSXSXJP-NJDAHSKKSA-N 1 0 332.447 4.128 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000540705183 1041605534 /nfs/dbraw/zinc/60/55/34/1041605534.db2.gz CCKFWBAIEDQCCH-ORAYPTAESA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)COCc1ccccc1 ZINC000540710206 1041619466 /nfs/dbraw/zinc/61/94/66/1041619466.db2.gz LPQNLOQRHSZMMI-CVEARBPZSA-N 1 0 326.415 4.201 20 30 EIEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437091093 1041638262 /nfs/dbraw/zinc/63/82/62/1041638262.db2.gz BZBBWLPVHVBQSJ-MVWAKERRSA-N 1 0 347.462 4.166 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000437102488 1041660096 /nfs/dbraw/zinc/66/00/96/1041660096.db2.gz ZZLOJODYEMCYFG-PBPGXSGUSA-N 1 0 335.451 4.303 20 30 EIEDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000516668256 1041695814 /nfs/dbraw/zinc/69/58/14/1041695814.db2.gz TWTWNMDXVDSJBU-HSZRJFAPSA-N 1 0 348.490 4.456 20 30 EIEDRO C=CCc1cc(C[N@H+](CC=C)Cc2cccs2)cc(OC)c1O ZINC000506013570 1041737306 /nfs/dbraw/zinc/73/73/06/1041737306.db2.gz YIESHYORYMSWGC-UHFFFAOYSA-N 1 0 329.465 4.379 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1-c1ccnn1C ZINC000507661272 1041746161 /nfs/dbraw/zinc/74/61/61/1041746161.db2.gz STXJJZBJXHLCNV-UHFFFAOYSA-N 1 0 347.462 4.284 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000506022033 1041748183 /nfs/dbraw/zinc/74/81/83/1041748183.db2.gz OOGFTJWLIGKQGJ-LJQANCHMSA-N 1 0 343.492 4.494 20 30 EIEDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1ccc(C#N)s1 ZINC000506041899 1041773080 /nfs/dbraw/zinc/77/30/80/1041773080.db2.gz YJBRUXLRAABHGB-UHFFFAOYSA-N 1 0 333.526 4.025 20 30 EIEDRO C=C(C)COc1cc(CN2CCCC[C@@H]2c2cc[nH]n2)ccc1OC ZINC000517037687 1041844693 /nfs/dbraw/zinc/84/46/93/1041844693.db2.gz HWMXXKPDURXUSE-GOSISDBHSA-N 1 0 341.455 4.100 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CC[C@H]2CCOC2)Cc2cccc(F)c2)cc1 ZINC000437594189 1041847882 /nfs/dbraw/zinc/84/78/82/1041847882.db2.gz VVJRFTKGCQNVQX-IBGZPJMESA-N 1 0 338.426 4.126 20 30 EIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccsc1)Cc1cccc(C#N)c1 ZINC000437686027 1041878098 /nfs/dbraw/zinc/87/80/98/1041878098.db2.gz IRZHHPZUBHGDGS-UHFFFAOYSA-N 1 0 334.448 4.198 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NC2CC[NH+](CCCC)CC2)c1 ZINC000438129050 1042058543 /nfs/dbraw/zinc/05/85/43/1042058543.db2.gz JASKJKWMQVOQIX-UHFFFAOYSA-N 1 0 345.487 4.028 20 30 EIEDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000517519707 1042060058 /nfs/dbraw/zinc/06/00/58/1042060058.db2.gz LLWLPKWXDFDHNZ-FQEVSTJZSA-N 1 0 349.434 4.163 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000541661461 1042060841 /nfs/dbraw/zinc/06/08/41/1042060841.db2.gz ZISKBOZYVQTEQB-RHSMWYFYSA-N 1 0 330.497 4.405 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000464760248 1042153723 /nfs/dbraw/zinc/15/37/23/1042153723.db2.gz DUYPAFOHTBMMHQ-UHFFFAOYSA-N 1 0 339.483 4.323 20 30 EIEDRO N#Cc1c(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cn2ccccc12 ZINC000464763273 1042154664 /nfs/dbraw/zinc/15/46/64/1042154664.db2.gz AMVWCINFPLWODJ-QGZVFWFLSA-N 1 0 347.487 4.425 20 30 EIEDRO CC(C)C[C@@H](CNC(=O)c1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000517713403 1042154887 /nfs/dbraw/zinc/15/48/87/1042154887.db2.gz FBNFYJCTGQBEOF-UWJYYQICSA-N 1 0 349.478 4.054 20 30 EIEDRO Cc1cnn(CCCCC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000464810873 1042173512 /nfs/dbraw/zinc/17/35/12/1042173512.db2.gz GSFRGPPJWCYUEH-NHCUHLMSSA-N 1 0 336.483 4.134 20 30 EIEDRO C[C@H]1CCCC[C@H]1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438478157 1042199870 /nfs/dbraw/zinc/19/98/70/1042199870.db2.gz VNKNLDTVXCMGLH-FLODPWGTSA-N 1 0 327.472 4.059 20 30 EIEDRO Cc1oc(NC(=O)C[N@H+](Cc2ccccc2)C(C)(C)C)c(C#N)c1C ZINC000438595197 1042264125 /nfs/dbraw/zinc/26/41/25/1042264125.db2.gz ICFGIYNODSJGHO-UHFFFAOYSA-N 1 0 339.439 4.007 20 30 EIEDRO C=CC[N@@H+](CCCCCOC)Cc1cc(Br)ccc1F ZINC000303132597 1042315403 /nfs/dbraw/zinc/31/54/03/1042315403.db2.gz BMJOWSKOOONSTG-UHFFFAOYSA-N 1 0 344.268 4.393 20 30 EIEDRO COc1ccccc1CC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000542280880 1042367930 /nfs/dbraw/zinc/36/79/30/1042367930.db2.gz VXCIZHTYNSTDQY-UHFFFAOYSA-N 1 0 334.463 4.216 20 30 EIEDRO C=CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)CC1CCCCC1 ZINC000303502776 1042452678 /nfs/dbraw/zinc/45/26/78/1042452678.db2.gz YZCBLFRBOOLQEL-UHFFFAOYSA-N 1 0 339.483 4.002 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3CC(F)(F)C3)c2)c1 ZINC000491599285 1042478825 /nfs/dbraw/zinc/47/88/25/1042478825.db2.gz PRQLENYFYYVCLN-UHFFFAOYSA-N 1 0 342.389 4.272 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1cccc(OC)c1)N1CCCC1)C1CC1 ZINC000439073610 1042485899 /nfs/dbraw/zinc/48/58/99/1042485899.db2.gz AFTQWOQDRPJZJG-NHCUHLMSSA-N 1 0 328.500 4.167 20 30 EIEDRO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271934163 1042534256 /nfs/dbraw/zinc/53/42/56/1042534256.db2.gz METPKSQIOYERSU-IERDGZPVSA-N 1 0 337.442 4.185 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cccc(Br)c2)CC1 ZINC000173398471 1042569516 /nfs/dbraw/zinc/56/95/16/1042569516.db2.gz IAQHZEGWVDGNHH-CQSZACIVSA-N 1 0 337.305 4.140 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000439435532 1042624346 /nfs/dbraw/zinc/62/43/46/1042624346.db2.gz FMDPYYQPBYARPI-FQEVSTJZSA-N 1 0 338.838 4.233 20 30 EIEDRO C=CC[C@@H](CC)NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000439435695 1042624852 /nfs/dbraw/zinc/62/48/52/1042624852.db2.gz VFECACWYYCTXKU-QGZVFWFLSA-N 1 0 345.487 4.028 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)c(Cl)c1 ZINC000439437994 1042625266 /nfs/dbraw/zinc/62/52/66/1042625266.db2.gz CHUYCXRCCGWSFZ-UHFFFAOYSA-N 1 0 332.875 4.383 20 30 EIEDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439453973 1042637001 /nfs/dbraw/zinc/63/70/01/1042637001.db2.gz QQPGUCXGHDTDAQ-UHFFFAOYSA-N 1 0 327.859 4.467 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000439456254 1042640090 /nfs/dbraw/zinc/64/00/90/1042640090.db2.gz XVOZKWAMLZGLMV-HXUWFJFHSA-N 1 0 340.854 4.084 20 30 EIEDRO N#Cc1ccc(OCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)cc1 ZINC000609157654 1042650624 /nfs/dbraw/zinc/65/06/24/1042650624.db2.gz MPJAGXNKOSZKSM-OAQYLSRUSA-N 1 0 335.451 4.243 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)Oc1cc(F)cc(F)c1)c1ccc(C#N)cc1 ZINC000506630442 1042706544 /nfs/dbraw/zinc/70/65/44/1042706544.db2.gz LPSMAQJCLDWMGH-CYBMUJFWSA-N 1 0 330.378 4.345 20 30 EIEDRO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H]2C2CCC2)c2ccccc21 ZINC000174844889 1042715536 /nfs/dbraw/zinc/71/55/36/1042715536.db2.gz RLGVJAPMJPPOFN-LJQANCHMSA-N 1 0 335.451 4.002 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cccc(NC(=O)CC(C)C)c2)ccc1C#N ZINC000443982292 1042716579 /nfs/dbraw/zinc/71/65/79/1042716579.db2.gz PKYSZLJMKFSCNN-UHFFFAOYSA-N 1 0 335.451 4.141 20 30 EIEDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443977738 1042718413 /nfs/dbraw/zinc/71/84/13/1042718413.db2.gz HXNGYVBGEAVGPS-OAHLLOKOSA-N 1 0 340.492 4.393 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000492938294 1042771099 /nfs/dbraw/zinc/77/10/99/1042771099.db2.gz UONHBOVFGDHHLM-HKUYNNGSSA-N 1 0 341.499 4.107 20 30 EIEDRO CC(C)C[C@H](CNC(=O)c1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000518985751 1042781174 /nfs/dbraw/zinc/78/11/74/1042781174.db2.gz WTIXHXOTRGYQRH-DYESRHJHSA-N 1 0 349.478 4.054 20 30 EIEDRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000177848072 1042852148 /nfs/dbraw/zinc/85/21/48/1042852148.db2.gz UUKCEJVYXSELCT-CVEARBPZSA-N 1 0 347.528 4.387 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC000473991380 1042852955 /nfs/dbraw/zinc/85/29/55/1042852955.db2.gz BDUVHLPGOYHTFD-MRXNPFEDSA-N 1 0 346.261 4.234 20 30 EIEDRO CCC(CC)[N@@H+](CC(=O)Nc1ccccc1SCC#N)CC(C)C ZINC000177864890 1042853132 /nfs/dbraw/zinc/85/31/32/1042853132.db2.gz FWJLHPKJXKEMIG-UHFFFAOYSA-N 1 0 347.528 4.387 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(SCC(F)F)cc2)CC1 ZINC000177905076 1042853769 /nfs/dbraw/zinc/85/37/69/1042853769.db2.gz WNHDAUYWNKRHSV-AWEZNQCLSA-N 1 0 340.483 4.345 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000130233394 1042865123 /nfs/dbraw/zinc/86/51/23/1042865123.db2.gz RPMWYOBUHWWSIR-WBAXXEDZSA-N 1 0 343.471 4.045 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000067401283 1042882251 /nfs/dbraw/zinc/88/22/51/1042882251.db2.gz XKDMTZXQZWAZHK-FQEVSTJZSA-N 1 0 340.854 4.157 20 30 EIEDRO C[NH+](C)CCCCC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000729521491 1043001950 /nfs/dbraw/zinc/00/19/50/1043001950.db2.gz YZLRCBKYOFDUPT-HXUWFJFHSA-N 1 0 335.451 4.012 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000494010961 1043004156 /nfs/dbraw/zinc/00/41/56/1043004156.db2.gz GSWUBFYVAOJSBL-FQEVSTJZSA-N 1 0 329.415 4.106 20 30 EIEDRO C=CCSCC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494051046 1043008528 /nfs/dbraw/zinc/00/85/28/1043008528.db2.gz VNJMQGJNLXZCRR-GOSISDBHSA-N 1 0 328.437 4.193 20 30 EIEDRO CSCc1cc(F)ccc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000152958932 1043033425 /nfs/dbraw/zinc/03/34/25/1043033425.db2.gz XIRKCCHAMSHAHA-AWEZNQCLSA-N 1 0 344.455 4.269 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@H+](CC3CCCCC3)C3CC3)o2)c1 ZINC000075643189 1043071859 /nfs/dbraw/zinc/07/18/59/1043071859.db2.gz NPYSNVAMEFAXCG-UHFFFAOYSA-N 1 0 336.439 4.153 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](COC)c2ccccc2)c(O)c1 ZINC000727061862 1043126117 /nfs/dbraw/zinc/12/61/17/1043126117.db2.gz PJBWMZKPBRTELA-BJLUOBIUSA-N 1 0 326.440 4.045 20 30 EIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000029828371 1043155706 /nfs/dbraw/zinc/15/57/06/1043155706.db2.gz BEQVMWQTPMGVCR-HNNXBMFYSA-N 1 0 335.382 4.218 20 30 EIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000029828370 1043156794 /nfs/dbraw/zinc/15/67/94/1043156794.db2.gz BEQVMWQTPMGVCR-OAHLLOKOSA-N 1 0 335.382 4.218 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCc2cc(OC)c(OC)cc21 ZINC000280205970 1043214861 /nfs/dbraw/zinc/21/48/61/1043214861.db2.gz TVRVWMGXQUIXIU-SFHVURJKSA-N 1 0 339.435 4.046 20 30 EIEDRO CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)c2cccs2)CC1 ZINC000185756928 1043218465 /nfs/dbraw/zinc/21/84/65/1043218465.db2.gz DUKISMGISBALFQ-RCCFBDPRSA-N 1 0 331.529 4.193 20 30 EIEDRO COc1cccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cn2)c1 ZINC000185784645 1043220107 /nfs/dbraw/zinc/22/01/07/1043220107.db2.gz KUTSDXRTTOLMGN-DOTOQJQBSA-N 1 0 337.423 4.054 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3Br)CC2)C1 ZINC000185843339 1043224918 /nfs/dbraw/zinc/22/49/18/1043224918.db2.gz QKWCVIPTEFHTRC-UONOGXRCSA-N 1 0 333.273 4.153 20 30 EIEDRO C=CCC[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000427922039 1043264927 /nfs/dbraw/zinc/26/49/27/1043264927.db2.gz ACGGOUPGNBSYAS-QUCCMNQESA-N 1 0 328.500 4.117 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186304697 1043265743 /nfs/dbraw/zinc/26/57/43/1043265743.db2.gz VEYBKTNLZWAZFE-UHFFFAOYSA-N 1 0 348.446 4.392 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000113355872 1043271431 /nfs/dbraw/zinc/27/14/31/1043271431.db2.gz YQFRZIRKBFPIHQ-UHFFFAOYSA-N 1 0 338.414 4.391 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000921993781 1043274713 /nfs/dbraw/zinc/27/47/13/1043274713.db2.gz FXRSOLJSUVIEKY-PZJWPPBQSA-N 1 0 338.426 4.324 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1Cl ZINC000533820119 1043297559 /nfs/dbraw/zinc/29/75/59/1043297559.db2.gz SNFVMOBETVQVJV-LJQANCHMSA-N 1 0 342.870 4.181 20 30 EIEDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000311597253 1043309796 /nfs/dbraw/zinc/30/97/96/1043309796.db2.gz FPTDKLWEPMNPSX-GJZGRUSLSA-N 1 0 339.302 4.085 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000922016254 1043315172 /nfs/dbraw/zinc/31/51/72/1043315172.db2.gz CSNQBARIPVVVBV-UHFFFAOYSA-N 1 0 338.842 4.005 20 30 EIEDRO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543557720 1043321562 /nfs/dbraw/zinc/32/15/62/1043321562.db2.gz GNFXZUGPBLPWFH-UXHICEINSA-N 1 0 342.389 4.189 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CCSCC1 ZINC000187359117 1043344084 /nfs/dbraw/zinc/34/40/84/1043344084.db2.gz FTBVYZMSSXQUQM-CYBMUJFWSA-N 1 0 327.415 4.178 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(OCCCC)cc3)o2)C1 ZINC000625703145 1043360314 /nfs/dbraw/zinc/36/03/14/1043360314.db2.gz LSYYJLKJUIQBMK-INIZCTEOSA-N 1 0 341.455 4.314 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000188935896 1043388797 /nfs/dbraw/zinc/38/87/97/1043388797.db2.gz ATPLYYGFVCOLKW-CQSZACIVSA-N 1 0 340.298 4.492 20 30 EIEDRO CC(C)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000499605207 1043404372 /nfs/dbraw/zinc/40/43/72/1043404372.db2.gz ICWPWGIZPWCUPL-GOSISDBHSA-N 1 0 336.426 4.352 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1csc2ccccc21 ZINC000730023977 1043431140 /nfs/dbraw/zinc/43/11/40/1043431140.db2.gz YKSVJPSVTXJJBX-CABCVRRESA-N 1 0 330.497 4.365 20 30 EIEDRO CC[C@@]1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)OCCc2ccccc21 ZINC000520900015 1043436820 /nfs/dbraw/zinc/43/68/20/1043436820.db2.gz HZOUFWHKTXSTBW-VFNWGFHPSA-N 1 0 338.426 4.226 20 30 EIEDRO Cc1ccc(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)o1 ZINC000520947981 1043453130 /nfs/dbraw/zinc/45/31/30/1043453130.db2.gz JHCUBQQXCABROJ-UHFFFAOYSA-N 1 0 346.430 4.371 20 30 EIEDRO Cc1cc(Br)cc(C)c1C[NH2+]Cc1cccc(C#N)c1 ZINC000520949004 1043453315 /nfs/dbraw/zinc/45/33/15/1043453315.db2.gz OAOFDJPNCHPEMT-UHFFFAOYSA-N 1 0 329.241 4.227 20 30 EIEDRO Cc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000113317215 1043467346 /nfs/dbraw/zinc/46/73/46/1043467346.db2.gz SURJGHVOAQUGMM-UHFFFAOYSA-N 1 0 330.435 4.062 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(F)ccc2OC)ccc1OC ZINC000189209174 1043478877 /nfs/dbraw/zinc/47/88/77/1043478877.db2.gz TZTVELQAJGACPU-UHFFFAOYSA-N 1 0 345.414 4.088 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000494445927 1043489386 /nfs/dbraw/zinc/48/93/86/1043489386.db2.gz SQMFZUGKLNVLJZ-RTBURBONSA-N 1 0 346.257 4.465 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000494445911 1043489637 /nfs/dbraw/zinc/48/96/37/1043489637.db2.gz SQMFZUGKLNVLJZ-MOPGFXCFSA-N 1 0 346.257 4.465 20 30 EIEDRO C[C@@H](CNc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2sccc2C1 ZINC000521085450 1043521188 /nfs/dbraw/zinc/52/11/88/1043521188.db2.gz XKZMISCHHORMBC-LBPRGKRZSA-N 1 0 331.872 4.132 20 30 EIEDRO Cc1nc(-c2ccc(CC[NH2+]Cc3cccc(C#N)c3)s2)cs1 ZINC000078456250 1043634856 /nfs/dbraw/zinc/63/48/56/1043634856.db2.gz FTFDUFBHIVWSKX-UHFFFAOYSA-N 1 0 339.489 4.384 20 30 EIEDRO CCc1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000521195571 1043645094 /nfs/dbraw/zinc/64/50/94/1043645094.db2.gz IGICSHLNFORZTO-UHFFFAOYSA-N 1 0 349.478 4.217 20 30 EIEDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1ccc(OCC#N)cc1 ZINC000731211697 1043715233 /nfs/dbraw/zinc/71/52/33/1043715233.db2.gz WCJZMGJHRNXSJA-UHFFFAOYSA-N 1 0 344.842 4.143 20 30 EIEDRO Cc1ccc([C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)N2CCCC2)cc1 ZINC000554987960 1043734816 /nfs/dbraw/zinc/73/48/16/1043734816.db2.gz OFARDJXDMFWNRP-PKTZIBPZSA-N 1 0 345.490 4.281 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000313718716 1043794765 /nfs/dbraw/zinc/79/47/65/1043794765.db2.gz RDOPKEBKPIXXHF-ZDUSSCGKSA-N 1 0 329.241 4.214 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccccc2)n1 ZINC000731659249 1043808666 /nfs/dbraw/zinc/80/86/66/1043808666.db2.gz YYTLWIFMDKYFLM-UHFFFAOYSA-N 1 0 330.435 4.291 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCC2)C1 ZINC000442715163 1043815469 /nfs/dbraw/zinc/81/54/69/1043815469.db2.gz LKANQABRVZGAEX-BBRMVZONSA-N 1 0 333.273 4.153 20 30 EIEDRO CCCC1CCC([N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000191426178 1043816098 /nfs/dbraw/zinc/81/60/98/1043816098.db2.gz MMSXJDPQOLLUNX-UHFFFAOYSA-N 1 0 338.455 4.399 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000191443198 1043817909 /nfs/dbraw/zinc/81/79/09/1043817909.db2.gz HUEJSESEQXTHBE-INIZCTEOSA-N 1 0 331.504 4.390 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000442770648 1043837862 /nfs/dbraw/zinc/83/78/62/1043837862.db2.gz RWZULLWANBWTOY-XZOQPEGZSA-N 1 0 347.506 4.361 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000442787809 1043839794 /nfs/dbraw/zinc/83/97/94/1043839794.db2.gz DPNWQTHHLUEFPO-ONGXEEELSA-N 1 0 333.646 4.307 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442825938 1043849594 /nfs/dbraw/zinc/84/95/94/1043849594.db2.gz NKTFKFRMHLMQTO-LXZKKBNFSA-N 1 0 327.390 4.116 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC1(C)C ZINC000191865203 1043854601 /nfs/dbraw/zinc/85/46/01/1043854601.db2.gz KHNIKWSYQXLMTB-RHSMWYFYSA-N 1 0 345.512 4.045 20 30 EIEDRO FC(F)C1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000442819981 1043855182 /nfs/dbraw/zinc/85/51/82/1043855182.db2.gz AMBMHNLOUNFDRO-UHFFFAOYSA-N 1 0 331.328 4.470 20 30 EIEDRO C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@@H]4CC[C@@H](C#N)C4)cc3)ccc2O1 ZINC000442853394 1043874475 /nfs/dbraw/zinc/87/44/75/1043874475.db2.gz ZOKSDXPQDFCFEK-QLVMHMETSA-N 1 0 332.447 4.459 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000442853532 1043874960 /nfs/dbraw/zinc/87/49/60/1043874960.db2.gz HORRJAUZPIRVIZ-VHDGCEQUSA-N 1 0 338.282 4.244 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000442879123 1043879318 /nfs/dbraw/zinc/87/93/18/1043879318.db2.gz VSVHNOWWNAKAFA-QWQCLYJRSA-N 1 0 338.373 4.492 20 30 EIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)c(OC)c2)s1 ZINC000442884048 1043882811 /nfs/dbraw/zinc/88/28/11/1043882811.db2.gz JJRKTBKLZAVXEW-ZDUSSCGKSA-N 1 0 329.469 4.087 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1cccc(OCc2ccccn2)c1 ZINC000192150926 1043883002 /nfs/dbraw/zinc/88/30/02/1043883002.db2.gz YIODKFWOYYHCAT-LJQANCHMSA-N 1 0 342.442 4.363 20 30 EIEDRO COc1cc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)ccc1C#N ZINC000442887611 1043885012 /nfs/dbraw/zinc/88/50/12/1043885012.db2.gz ZKMIKARBCLYUEY-UHFFFAOYSA-N 1 0 342.483 4.127 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC(=O)Nc2cccc3ccccc32)cc1 ZINC000732231128 1043890427 /nfs/dbraw/zinc/89/04/27/1043890427.db2.gz HKDGJSRDGNTJQX-UHFFFAOYSA-N 1 0 346.430 4.133 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCO[C@H](c2cccs2)C1 ZINC000922163073 1043928102 /nfs/dbraw/zinc/92/81/02/1043928102.db2.gz ZBDZLRBLBIAYNI-WMZOPIPTSA-N 1 0 326.465 4.247 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)CC2)cc1OCCCC#N ZINC000442992177 1043935252 /nfs/dbraw/zinc/93/52/52/1043935252.db2.gz BWWFAKBLMZZAGU-FUHWJXTLSA-N 1 0 330.472 4.436 20 30 EIEDRO Cc1ccc(C)c(OC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)c1 ZINC000543138011 1043947181 /nfs/dbraw/zinc/94/71/81/1043947181.db2.gz DJXATXRKTXKBNR-UHFFFAOYSA-N 1 0 334.463 4.413 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000067449802 1043952526 /nfs/dbraw/zinc/95/25/26/1043952526.db2.gz JIJZFPZAJIWVOY-ZDUSSCGKSA-N 1 0 334.341 4.350 20 30 EIEDRO COc1cc(C[N@H+](C)CCCCC(C)(C)C#N)ccc1OC(F)F ZINC000521764567 1043966895 /nfs/dbraw/zinc/96/68/95/1043966895.db2.gz HCJFDDITCMQFBI-UHFFFAOYSA-N 1 0 340.414 4.448 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC000443014692 1043970800 /nfs/dbraw/zinc/97/08/00/1043970800.db2.gz PVDMIYQSYZUPTP-UHFFFAOYSA-N 1 0 326.406 4.144 20 30 EIEDRO Oc1cccc(/C=N\Cc2ccccc2C[NH+]2CCCCCC2)c1O ZINC000732926652 1044037132 /nfs/dbraw/zinc/03/71/32/1044037132.db2.gz QQMVOTJUOVUNPA-JCMHNJIXSA-N 1 0 338.451 4.093 20 30 EIEDRO COc1ccc(OCCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543177645 1044046985 /nfs/dbraw/zinc/04/69/85/1044046985.db2.gz IDPWHEWSJFYRNB-UHFFFAOYSA-N 1 0 336.435 4.000 20 30 EIEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000732986569 1044059137 /nfs/dbraw/zinc/05/91/37/1044059137.db2.gz MLHSHLCVFPJASS-IBGZPJMESA-N 1 0 328.362 4.052 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000543182058 1044059320 /nfs/dbraw/zinc/05/93/20/1044059320.db2.gz NKOSLBDORAMEAV-INIZCTEOSA-N 1 0 340.492 4.342 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(C2CCCC2)n1 ZINC000922191412 1044077469 /nfs/dbraw/zinc/07/74/69/1044077469.db2.gz VHQTTZKPLAKCKT-FQEVSTJZSA-N 1 0 334.467 4.117 20 30 EIEDRO C=CCCCCC[NH+]1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000193583431 1044083832 /nfs/dbraw/zinc/08/38/32/1044083832.db2.gz FYAHKLSFMUVNQP-UHFFFAOYSA-N 1 0 336.501 4.246 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cs1 ZINC000521973075 1044128130 /nfs/dbraw/zinc/12/81/30/1044128130.db2.gz HYNAGSQPABAFQF-RWBZWWBESA-N 1 0 341.480 4.364 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCOc1cccc3cccnc31)CC2 ZINC000522040099 1044182055 /nfs/dbraw/zinc/18/20/55/1044182055.db2.gz ZAWMRMWOGSAMEP-FQEVSTJZSA-N 1 0 343.430 4.152 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCSCc2ccccc2F)cc1 ZINC000733323233 1044185088 /nfs/dbraw/zinc/18/50/88/1044185088.db2.gz RQWSFUFJTKLNEA-UHFFFAOYSA-N 1 0 343.467 4.251 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000733325790 1044189772 /nfs/dbraw/zinc/18/97/72/1044189772.db2.gz SUCTXMVYROEFIR-UHFFFAOYSA-N 1 0 348.471 4.420 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)CCc2ccc(OC)cc2)cc1 ZINC000733326347 1044192741 /nfs/dbraw/zinc/19/27/41/1044192741.db2.gz XZIKDQFOBWCQHM-SFHVURJKSA-N 1 0 337.463 4.208 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cc3c(s2)CCCC3)cc1 ZINC000733326253 1044192960 /nfs/dbraw/zinc/19/29/60/1044192960.db2.gz ROOBWOXPXUPFCH-UHFFFAOYSA-N 1 0 325.477 4.319 20 30 EIEDRO C#CCOc1ccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000733327218 1044193527 /nfs/dbraw/zinc/19/35/27/1044193527.db2.gz PWRFVPKXUKENCN-QHCPKHFHSA-N 1 0 348.490 4.015 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC2CC2)cc1 ZINC000766110434 1044194488 /nfs/dbraw/zinc/19/44/88/1044194488.db2.gz UPMAKZNMPFTWJG-QGZVFWFLSA-N 1 0 335.447 4.338 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000733328600 1044195086 /nfs/dbraw/zinc/19/50/86/1044195086.db2.gz VZVCJSVOWJBCEK-SIKLNZKXSA-N 1 0 348.490 4.014 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000174039467 1044215399 /nfs/dbraw/zinc/21/53/99/1044215399.db2.gz JRSOAGPPONSGSR-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000174266388 1044244686 /nfs/dbraw/zinc/24/46/86/1044244686.db2.gz LNKHUQHEMLGHQP-GOSISDBHSA-N 1 0 333.907 4.396 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000132505334 1044255574 /nfs/dbraw/zinc/25/55/74/1044255574.db2.gz RBLSORACEPGISA-INIZCTEOSA-N 1 0 331.341 4.139 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)Oc1ccc(F)cc1 ZINC000174603013 1044291680 /nfs/dbraw/zinc/29/16/80/1044291680.db2.gz CPQSVPBTFGRQGN-INIZCTEOSA-N 1 0 342.414 4.065 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(N=Nc3nncc4ccccc43)CC2)C1 ZINC000733744990 1044297234 /nfs/dbraw/zinc/29/72/34/1044297234.db2.gz AHASWSKFQBQFMR-MAUKXSAKSA-N 1 0 337.471 4.072 20 30 EIEDRO C[C@@H]1CC(NC2=CC(=O)CC(C)(C)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168020896 1044400212 /nfs/dbraw/zinc/40/02/12/1044400212.db2.gz OKUUFSLEWGGOFA-IAGOWNOFSA-N 1 0 340.511 4.291 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCC(C[NH+](CC)CC)CC1)c1ccccc1 ZINC000494837269 1044425173 /nfs/dbraw/zinc/42/51/73/1044425173.db2.gz WVLTVZBFLSPTPP-NRFANRHFSA-N 1 0 342.527 4.317 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000466417991 1044438362 /nfs/dbraw/zinc/43/83/62/1044438362.db2.gz UOSBAKBIEZZLIZ-SFHVURJKSA-N 1 0 328.500 4.281 20 30 EIEDRO C=CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000494923033 1044521735 /nfs/dbraw/zinc/52/17/35/1044521735.db2.gz KRTJMJSJRKCFCV-JOCHJYFZSA-N 1 0 348.490 4.259 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+]Cc1csc(C#N)c1)CCCC2 ZINC000922335373 1044559979 /nfs/dbraw/zinc/55/99/79/1044559979.db2.gz QZOACKRDJHNYIH-QGZVFWFLSA-N 1 0 342.464 4.194 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494984356 1044569647 /nfs/dbraw/zinc/56/96/47/1044569647.db2.gz DXEVZQPJSYRCIX-AEBIURJHSA-N 1 0 330.447 4.213 20 30 EIEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000675934456 1044576575 /nfs/dbraw/zinc/57/65/75/1044576575.db2.gz ZQXCOYCFHXEIQL-OLZOCXBDSA-N 1 0 346.496 4.285 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000734477759 1044589123 /nfs/dbraw/zinc/58/91/23/1044589123.db2.gz SQBKGIVHHPSZRU-DYESRHJHSA-N 1 0 342.446 4.257 20 30 EIEDRO C=CC[C@H](C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000494999215 1044589108 /nfs/dbraw/zinc/58/91/08/1044589108.db2.gz NYORBSFSGOPFTL-ZJOUEHCJSA-N 1 0 342.527 4.221 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000734509207 1044589568 /nfs/dbraw/zinc/58/95/68/1044589568.db2.gz GGJYONHCQXGERV-UHFFFAOYSA-N 1 0 348.471 4.420 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](Cc1ccccc1Cl)c1cccs1 ZINC000495066552 1044634033 /nfs/dbraw/zinc/63/40/33/1044634033.db2.gz MAIIFCXQMSVYOY-RHSMWYFYSA-N 1 0 335.900 4.460 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000474159159 1044723097 /nfs/dbraw/zinc/72/30/97/1044723097.db2.gz MAEJWUWVBNIGHA-UHFFFAOYSA-N 1 0 338.842 4.109 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2ccc3ncccc3c2)c1 ZINC000922471673 1044754851 /nfs/dbraw/zinc/75/48/51/1044754851.db2.gz DAUBWXVJIJXFFL-UHFFFAOYSA-N 1 0 345.446 4.250 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1c[nH]nc1-c1ccccc1F ZINC000495200514 1044784356 /nfs/dbraw/zinc/78/43/56/1044784356.db2.gz JPGOHHAZHYTSQY-UHFFFAOYSA-N 1 0 325.387 4.040 20 30 EIEDRO CCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCCO1 ZINC000735309419 1044799916 /nfs/dbraw/zinc/79/99/16/1044799916.db2.gz NHSWXZZWJOLSPU-QGZVFWFLSA-N 1 0 336.863 4.023 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000922538357 1044804780 /nfs/dbraw/zinc/80/47/80/1044804780.db2.gz QHBNMQFXTVUSBG-OAHLLOKOSA-N 1 0 339.395 4.128 20 30 EIEDRO CCN(Cc1ccc(C#N)o1)Cc1cc(Br)ccc1F ZINC000154676050 1044822946 /nfs/dbraw/zinc/82/29/46/1044822946.db2.gz VSAJBQOWMFTUFJ-UHFFFAOYSA-N 1 0 337.192 4.075 20 30 EIEDRO CC1CC[NH+](CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000761926929 1044827614 /nfs/dbraw/zinc/82/76/14/1044827614.db2.gz DLKXWMQBPZABGV-NRFANRHFSA-N 1 0 347.462 4.012 20 30 EIEDRO Cc1ccc2c(CC[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)cn(C)c2c1 ZINC000186544381 1044829255 /nfs/dbraw/zinc/82/92/55/1044829255.db2.gz PUTMRSLDHDGKKF-QGZVFWFLSA-N 1 0 347.462 4.110 20 30 EIEDRO CCc1nc2ccccc2n1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000093300796 1044830414 /nfs/dbraw/zinc/83/04/14/1044830414.db2.gz QCQRMFCNWMPRID-UHFFFAOYSA-N 1 0 344.462 4.307 20 30 EIEDRO CC1([N@H+](CCCSCC#N)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000474282720 1044833831 /nfs/dbraw/zinc/83/38/31/1044833831.db2.gz AVGGZBSVDZKJAQ-UHFFFAOYSA-N 1 0 346.496 4.197 20 30 EIEDRO CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000154900197 1044846286 /nfs/dbraw/zinc/84/62/86/1044846286.db2.gz AMPGUOAKBAWLNL-MRXNPFEDSA-N 1 0 347.466 4.467 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](Nc2ccccc2)C(C)C)cc1 ZINC000735676089 1044853446 /nfs/dbraw/zinc/85/34/46/1044853446.db2.gz IDVXAOOXHMGVGA-QFIPXVFZSA-N 1 0 336.479 4.315 20 30 EIEDRO C#CCCCCCC[NH2+][C@@H]1CC2(CCOCC2)Oc2ccccc21 ZINC000895699634 1044853739 /nfs/dbraw/zinc/85/37/39/1044853739.db2.gz NJPSFJBRINCBSQ-LJQANCHMSA-N 1 0 327.468 4.233 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000466641455 1044867928 /nfs/dbraw/zinc/86/79/28/1044867928.db2.gz PNBQSKHOMOPYSA-KRWDZBQOSA-N 1 0 330.472 4.010 20 30 EIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000495335150 1044886563 /nfs/dbraw/zinc/88/65/63/1044886563.db2.gz DHTWIACAERJZRM-HOCLYGCPSA-N 1 0 347.503 4.420 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](OC(C)C)c1ccccc1 ZINC000428952436 1044895824 /nfs/dbraw/zinc/89/58/24/1044895824.db2.gz MMCUYPKEKWGZIR-NRFANRHFSA-N 1 0 343.467 4.316 20 30 EIEDRO C=CCC1(O)CC[NH+](Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000895833925 1044928297 /nfs/dbraw/zinc/92/82/97/1044928297.db2.gz FWZVRELOJMWACX-UHFFFAOYSA-N 1 0 348.899 4.367 20 30 EIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1cccc(C#N)c1 ZINC000125379014 1044988541 /nfs/dbraw/zinc/98/85/41/1044988541.db2.gz PEILGGPIHVFDEA-UHFFFAOYSA-N 1 0 337.492 4.028 20 30 EIEDRO C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073767137 1045022392 /nfs/dbraw/zinc/02/23/92/1045022392.db2.gz FZXJFKCOYPELQR-FOIQADDNSA-N 1 0 334.423 4.027 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC000766003439 1045025927 /nfs/dbraw/zinc/02/59/27/1045025927.db2.gz VDSKFBGJUXMLAM-UZLBHIALSA-N 1 0 345.870 4.376 20 30 EIEDRO Cc1nc(C)c([C@H](C)[N@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000156291456 1045033781 /nfs/dbraw/zinc/03/37/81/1045033781.db2.gz KNPYYNMKLCJWPV-AWEZNQCLSA-N 1 0 329.469 4.094 20 30 EIEDRO CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](CC)c1ccccc1 ZINC000303657018 1045047992 /nfs/dbraw/zinc/04/79/92/1045047992.db2.gz VOTAIRGRXQBICO-CTNGQTDRSA-N 1 0 343.515 4.294 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000738431798 1045061295 /nfs/dbraw/zinc/06/12/95/1045061295.db2.gz YQCRHZYLRYMUAY-PIPMEXSNSA-N 1 0 334.463 4.478 20 30 EIEDRO CCCCCCCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000915080790 1045061631 /nfs/dbraw/zinc/06/16/31/1045061631.db2.gz VGXRMEZRLNBPLD-UHFFFAOYSA-N 1 0 330.516 4.390 20 30 EIEDRO CCC[N@H+](CCCSCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000466708559 1045068899 /nfs/dbraw/zinc/06/88/99/1045068899.db2.gz ZBJINKIMOHBLCL-FQEVSTJZSA-N 1 0 345.556 4.010 20 30 EIEDRO Oc1cccc(/C=N\C[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1O ZINC000915113195 1045112431 /nfs/dbraw/zinc/11/24/31/1045112431.db2.gz QHRJSASOGFWUPE-WCEBZYJUSA-N 1 0 344.842 4.007 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000186691870 1045130193 /nfs/dbraw/zinc/13/01/93/1045130193.db2.gz SKGYHFMYCHSDIJ-NHYWBVRUSA-N 1 0 336.888 4.360 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]CC3(O)CCCCC3)c2)s1 ZINC000740001471 1045174566 /nfs/dbraw/zinc/17/45/66/1045174566.db2.gz TYSAZFAWXIIYKT-UHFFFAOYSA-N 1 0 326.465 4.072 20 30 EIEDRO C=CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000766018919 1045201759 /nfs/dbraw/zinc/20/17/59/1045201759.db2.gz JRFOMBQIYAUZKB-NYVOZVTQSA-N 1 0 335.495 4.342 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000282433213 1045213124 /nfs/dbraw/zinc/21/31/24/1045213124.db2.gz KGKVDDLBOHUICX-MRXNPFEDSA-N 1 0 338.373 4.143 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccncc1 ZINC000766020554 1045224825 /nfs/dbraw/zinc/22/48/25/1045224825.db2.gz QIHYSZUYMSTCGP-KXBFYZLASA-N 1 0 337.423 4.006 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nccc3ccccc32)c1 ZINC000740898215 1045240421 /nfs/dbraw/zinc/24/04/21/1045240421.db2.gz ITBMEONQFQQRNV-GOSISDBHSA-N 1 0 331.419 4.206 20 30 EIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1F ZINC000611266423 1045269502 /nfs/dbraw/zinc/26/95/02/1045269502.db2.gz DXGWVUCLKNGHMP-MRXNPFEDSA-N 1 0 335.382 4.218 20 30 EIEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266722 1045271707 /nfs/dbraw/zinc/27/17/07/1045271707.db2.gz DAVJLLZKPIUHDI-IEBWSBKVSA-N 1 0 326.465 4.219 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000611290093 1045275171 /nfs/dbraw/zinc/27/51/71/1045275171.db2.gz TYVLLNLLFCHAHX-JOCHJYFZSA-N 1 0 333.479 4.043 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4cccc(C#N)c4F)C3)nc2c1 ZINC000611374394 1045289819 /nfs/dbraw/zinc/28/98/19/1045289819.db2.gz NWDFIEPCBYTEOE-QGZVFWFLSA-N 1 0 348.425 4.262 20 30 EIEDRO COc1ccccc1-c1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)on1 ZINC000611381712 1045292281 /nfs/dbraw/zinc/29/22/81/1045292281.db2.gz NMFQGOAPQJTBEI-AWEZNQCLSA-N 1 0 333.391 4.073 20 30 EIEDRO CC(C)[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000611366229 1045292854 /nfs/dbraw/zinc/29/28/54/1045292854.db2.gz VFWBTNJLJAUHQP-KRWDZBQOSA-N 1 0 340.298 4.268 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccccc1Br)c1cccc(C#N)c1 ZINC000611386069 1045295018 /nfs/dbraw/zinc/29/50/18/1045295018.db2.gz BTHZZVYIMNCMFM-ZDUSSCGKSA-N 1 0 345.240 4.050 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1cccc(C#N)c1 ZINC000611388557 1045295162 /nfs/dbraw/zinc/29/51/62/1045295162.db2.gz PRYFAPFDJCJMFJ-OAHLLOKOSA-N 1 0 335.451 4.145 20 30 EIEDRO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611388046 1045295350 /nfs/dbraw/zinc/29/53/50/1045295350.db2.gz CBSLWQOSQPOOIM-CVEARBPZSA-N 1 0 335.451 4.361 20 30 EIEDRO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000611388055 1045295514 /nfs/dbraw/zinc/29/55/14/1045295514.db2.gz CBSLWQOSQPOOIM-JKSUJKDBSA-N 1 0 335.451 4.361 20 30 EIEDRO COc1ccccc1C1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392177 1045297447 /nfs/dbraw/zinc/29/74/47/1045297447.db2.gz ISXAVMULNAZAQD-HXUWFJFHSA-N 1 0 332.447 4.266 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2cccn2)c1 ZINC000611393439 1045297782 /nfs/dbraw/zinc/29/77/82/1045297782.db2.gz GUPGUWFIIMMCMK-AOMKIAJQSA-N 1 0 342.446 4.472 20 30 EIEDRO C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)N(C)Cc1ccccc1 ZINC000611392681 1045298721 /nfs/dbraw/zinc/29/87/21/1045298721.db2.gz CUDVOSGQNRTLHY-VGOFRKELSA-N 1 0 333.479 4.046 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2cccn2)c1 ZINC000611393452 1045299277 /nfs/dbraw/zinc/29/92/77/1045299277.db2.gz GUPGUWFIIMMCMK-ZHRRBRCNSA-N 1 0 342.446 4.472 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000611393106 1045299393 /nfs/dbraw/zinc/29/93/93/1045299393.db2.gz JQZGHRWAXHWYIS-FGZHOGPDSA-N 1 0 342.446 4.163 20 30 EIEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]Cc2ccnc(C#N)c2)cc1 ZINC000611397176 1045300181 /nfs/dbraw/zinc/30/01/81/1045300181.db2.gz YMOZYIXPPSYSLM-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)c1 ZINC000495692360 1045300710 /nfs/dbraw/zinc/30/07/10/1045300710.db2.gz VVJZDSNDZUTGIY-LBPRGKRZSA-N 1 0 343.814 4.241 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000611391260 1045302387 /nfs/dbraw/zinc/30/23/87/1045302387.db2.gz LUMDPPAVBIJKLZ-VGOFRKELSA-N 1 0 349.453 4.191 20 30 EIEDRO Cc1cccc(C)c1OC[C@H]([NH2+]Cc1ccnc(C#N)c1)C(C)(C)C ZINC000611434524 1045305593 /nfs/dbraw/zinc/30/55/93/1045305593.db2.gz QJGVTHUEBFAAMI-IBGZPJMESA-N 1 0 337.467 4.153 20 30 EIEDRO C[C@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000611438271 1045308631 /nfs/dbraw/zinc/30/86/31/1045308631.db2.gz AUOFNUMVINUFSI-AVRDEDQJSA-N 1 0 333.479 4.436 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(C#N)nc3ccccc32)C1 ZINC000611509688 1045318969 /nfs/dbraw/zinc/31/89/69/1045318969.db2.gz AJZIBMFQCNNYAL-ZWKOTPCHSA-N 1 0 348.494 4.197 20 30 EIEDRO CC(C)(C)Oc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611521927 1045320318 /nfs/dbraw/zinc/32/03/18/1045320318.db2.gz QZPRDZUXYSIDAV-IBGZPJMESA-N 1 0 335.451 4.298 20 30 EIEDRO CC(CCCC[NH+](C)C)N=Nc1ncc(C(F)(F)F)cc1Cl ZINC000781114835 1045347160 /nfs/dbraw/zinc/34/71/60/1045347160.db2.gz WCIAQNKGWKHFJO-UHFFFAOYSA-N 1 0 336.789 4.274 20 30 EIEDRO C=CCSCC[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000236046602 1045348197 /nfs/dbraw/zinc/34/81/97/1045348197.db2.gz HBCQBQWHLLLRIT-UHFFFAOYSA-N 1 0 326.712 4.173 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2CCN(CC(=C)C)CC2)cc1Cl ZINC000236690186 1045363207 /nfs/dbraw/zinc/36/32/07/1045363207.db2.gz JPOSZNYJLCDHSC-UHFFFAOYSA-N 1 0 334.891 4.035 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237551295 1045387733 /nfs/dbraw/zinc/38/77/33/1045387733.db2.gz RTDZQYOZCXKYQX-GUYCJALGSA-N 1 0 348.899 4.252 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCC[N@@H+]2CCC(C)(C)C#N)C1 ZINC000495797397 1045415179 /nfs/dbraw/zinc/41/51/79/1045415179.db2.gz DHIISBSDWSIARG-IRXDYDNUSA-N 1 0 349.519 4.038 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000609223442 1045437759 /nfs/dbraw/zinc/43/77/59/1045437759.db2.gz RSIJPSFFDVDHHE-INIZCTEOSA-N 1 0 326.415 4.402 20 30 EIEDRO C[C@H](Cc1ccco1)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000915678470 1045446096 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C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000171768536 1045589759 /nfs/dbraw/zinc/58/97/59/1045589759.db2.gz XTAFLBVAXKLUOH-QGZVFWFLSA-N 1 0 335.451 4.040 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCC1OCCO1)c1ccc(C(F)(F)F)cc1 ZINC000767818053 1045648733 /nfs/dbraw/zinc/64/87/33/1045648733.db2.gz MHTOWIVVHOGLFX-OAHLLOKOSA-N 1 0 329.362 4.065 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCC(C)(C)C2)ccc1OC ZINC000767916719 1045672197 /nfs/dbraw/zinc/67/21/97/1045672197.db2.gz KPXBHQKZZBBRAM-SJORKVTESA-N 1 0 330.472 4.435 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)cc1 ZINC000767905709 1045679033 /nfs/dbraw/zinc/67/90/33/1045679033.db2.gz HDAONWKLJGJGHL-FCHUYYIVSA-N 1 0 334.463 4.079 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccncc1 ZINC000768102737 1045716057 /nfs/dbraw/zinc/71/60/57/1045716057.db2.gz BONXUGRCONQOQK-WMLDXEAASA-N 1 0 341.411 4.357 20 30 EIEDRO C=CC[N@@H+](Cc1cc(Br)c(OC)c(OCC)c1)C(C)C ZINC000768546736 1045822405 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C[C@@H](C#N)Oc1ccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000769405379 1045950369 /nfs/dbraw/zinc/95/03/69/1045950369.db2.gz USWDLHAUKXEUEG-INIZCTEOSA-N 1 0 338.426 4.324 20 30 EIEDRO C=C[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001170326469 1046000193 /nfs/dbraw/zinc/00/01/93/1046000193.db2.gz KEVFLJPAVCVEBM-RDTXWAMCSA-N 1 0 326.396 4.051 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496603486 1046002284 /nfs/dbraw/zinc/00/22/84/1046002284.db2.gz KGQMEGKZMHXLHC-VPRUJKLYSA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@@H](CN1CCC(C)CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170369493 1046018350 /nfs/dbraw/zinc/01/83/50/1046018350.db2.gz WMHBGUSGBXFUHX-KPQWGBOZSA-N 1 0 339.527 4.101 20 30 EIEDRO N#CCc1c(F)cccc1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170337763 1046018514 /nfs/dbraw/zinc/01/85/14/1046018514.db2.gz XZHNWAXJWXHVSZ-LDLYASANSA-N 1 0 349.453 4.499 20 30 EIEDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1O ZINC000769549397 1046019389 /nfs/dbraw/zinc/01/93/89/1046019389.db2.gz QOJAFWGQPZCCAJ-MOPGFXCFSA-N 1 0 336.435 4.063 20 30 EIEDRO CC[N@H+](CCN1CCCCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395723 1046027734 /nfs/dbraw/zinc/02/77/34/1046027734.db2.gz NLZAAUDADDSWST-UHFFFAOYSA-N 1 0 339.527 4.198 20 30 EIEDRO CCC[N@H+](C1CCOCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395389 1046028149 /nfs/dbraw/zinc/02/81/49/1046028149.db2.gz ILXJEEOIYPXJBS-UHFFFAOYSA-N 1 0 326.484 4.282 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cncn2C2CCC2)CC1 ZINC001170374032 1046031728 /nfs/dbraw/zinc/03/17/28/1046031728.db2.gz PRLTZJRSRHWUCU-UHFFFAOYSA-N 1 0 334.467 4.102 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cc(Cl)nc(Cl)c3)sc2C1 ZINC001212089694 1046084556 /nfs/dbraw/zinc/08/45/56/1046084556.db2.gz JWFDMHMGJCPBMM-UHFFFAOYSA-N 1 0 339.251 4.053 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1 ZINC000496929308 1046104745 /nfs/dbraw/zinc/10/47/45/1046104745.db2.gz SHBLKLASHKXVQV-WOJBJXKFSA-N 1 0 349.434 4.037 20 30 EIEDRO C=CC[C@@H]1[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)CCCC1(C)C ZINC000769953415 1046107722 /nfs/dbraw/zinc/10/77/22/1046107722.db2.gz LYLBJUQWDSIHQR-ROUUACIJSA-N 1 0 328.456 4.079 20 30 EIEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000496952145 1046115911 /nfs/dbraw/zinc/11/59/11/1046115911.db2.gz YJLJXJFYNMODFS-SJORKVTESA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763399015 1046126565 /nfs/dbraw/zinc/12/65/65/1046126565.db2.gz YRLITQSQGUKFNS-UGSOOPFHSA-N 1 0 348.368 4.303 20 30 EIEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763399039 1046126771 /nfs/dbraw/zinc/12/67/71/1046126771.db2.gz ZTVDQWAEVGOGMB-SCLBCKFNSA-N 1 0 348.368 4.303 20 30 EIEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763399014 1046127477 /nfs/dbraw/zinc/12/74/77/1046127477.db2.gz YRLITQSQGUKFNS-SCLBCKFNSA-N 1 0 348.368 4.303 20 30 EIEDRO CCCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(C)o1 ZINC000763407065 1046133508 /nfs/dbraw/zinc/13/35/08/1046133508.db2.gz MIEBYOPHNQRLNR-APWZRJJASA-N 1 0 326.440 4.356 20 30 EIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763408058 1046133760 /nfs/dbraw/zinc/13/37/60/1046133760.db2.gz NZHRTZUMUTZCBI-VSKRKVRLSA-N 1 0 334.463 4.250 20 30 EIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763406249 1046133905 /nfs/dbraw/zinc/13/39/05/1046133905.db2.gz IAQJTYRQEPWZRH-VBKZILBWSA-N 1 0 340.854 4.471 20 30 EIEDRO C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(C#N)c(F)c1 ZINC000404248294 1046153362 /nfs/dbraw/zinc/15/33/62/1046153362.db2.gz IEPCFUCHRSETDJ-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO C(#Cc1ccccc1)CNc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001170427825 1046161211 /nfs/dbraw/zinc/16/12/11/1046161211.db2.gz ZMMQTXZDBHBKBQ-UHFFFAOYSA-N 1 0 343.474 4.270 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1cccc(Cl)n1 ZINC000793175555 1046164509 /nfs/dbraw/zinc/16/45/09/1046164509.db2.gz TVRLWFPLOIFTNA-AWEZNQCLSA-N 1 0 328.847 4.045 20 30 EIEDRO C[C@@H]1CC(N=Nc2cccc(Cl)n2)CC[N@@H+]1Cc1ccccc1 ZINC000793180893 1046165440 /nfs/dbraw/zinc/16/54/40/1046165440.db2.gz DNCGXQXOAIHJMB-CQSZACIVSA-N 1 0 328.847 4.187 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000770293815 1046173284 /nfs/dbraw/zinc/17/32/84/1046173284.db2.gz YFXRTNUHMPAQQR-HKUYNNGSSA-N 1 0 343.492 4.401 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000758342620 1046178117 /nfs/dbraw/zinc/17/81/17/1046178117.db2.gz OGDSJEKHBXUTOI-UHFFFAOYSA-N 1 0 325.355 4.069 20 30 EIEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770353427 1046190357 /nfs/dbraw/zinc/19/03/57/1046190357.db2.gz SHHMRCKNVAYSPF-KFKAGJAMSA-N 1 0 330.472 4.003 20 30 EIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)c(F)c1)CCC2 ZINC000192117607 1046195532 /nfs/dbraw/zinc/19/55/32/1046195532.db2.gz RHOFCYSDCAJCDE-MRXNPFEDSA-N 1 0 329.444 4.226 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 ZINC000192153884 1046203421 /nfs/dbraw/zinc/20/34/21/1046203421.db2.gz KUDXSHCQHUCBHM-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCCSCC2)c1 ZINC000508678427 1046222737 /nfs/dbraw/zinc/22/27/37/1046222737.db2.gz NVZCOYVCLABYKD-UHFFFAOYSA-N 1 0 338.476 4.076 20 30 EIEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000793384143 1046226578 /nfs/dbraw/zinc/22/65/78/1046226578.db2.gz RQVUNCVIDUAARW-UHFFFAOYSA-N 1 0 338.451 4.381 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000793519678 1046264260 /nfs/dbraw/zinc/26/42/60/1046264260.db2.gz CDSIMXFMNQEXCY-KRWDZBQOSA-N 1 0 348.506 4.401 20 30 EIEDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000497166429 1046365797 /nfs/dbraw/zinc/36/57/97/1046365797.db2.gz ILCVZSJVUMUOPN-RPTYLJJZSA-N 1 0 349.519 4.132 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccccc1 ZINC000271759889 1046383348 /nfs/dbraw/zinc/38/33/48/1046383348.db2.gz ZLVONIMGXSABML-LJQANCHMSA-N 1 0 338.476 4.315 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000771468518 1046407136 /nfs/dbraw/zinc/40/71/36/1046407136.db2.gz VWROCIOUHXLADJ-IBGZPJMESA-N 1 0 334.548 4.462 20 30 EIEDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000497218272 1046419731 /nfs/dbraw/zinc/41/97/31/1046419731.db2.gz BMXRNXSXQAXLHC-ZIAGYGMSSA-N 1 0 349.450 4.041 20 30 EIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1cccc(F)c1 ZINC000916986580 1046525544 /nfs/dbraw/zinc/52/55/44/1046525544.db2.gz KTKZTFKINHCYBG-HNNXBMFYSA-N 1 0 325.836 4.262 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000771935354 1046528705 /nfs/dbraw/zinc/52/87/05/1046528705.db2.gz PHSBHXBKGNSTPA-UHFFFAOYSA-N 1 0 337.442 4.340 20 30 EIEDRO C[N@H+]1Cc2ccccc2[C@H](Nc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000772136814 1046572411 /nfs/dbraw/zinc/57/24/11/1046572411.db2.gz LFJVEZHKLOKQPS-QGZVFWFLSA-N 1 0 331.341 4.176 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCOc2ccc(C#N)cc2)cc1 ZINC000917032900 1046573464 /nfs/dbraw/zinc/57/34/64/1046573464.db2.gz WOSSOGHQJLCMBJ-NRFANRHFSA-N 1 0 336.435 4.173 20 30 EIEDRO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000917063626 1046615419 /nfs/dbraw/zinc/61/54/19/1046615419.db2.gz CXLISSSDIDRONT-AWEZNQCLSA-N 1 0 330.378 4.298 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](SCC)C2)cc1OC ZINC000536667306 1046642841 /nfs/dbraw/zinc/64/28/41/1046642841.db2.gz WVCJMZWMLJHMHZ-DLBZAZTESA-N 1 0 335.513 4.366 20 30 EIEDRO N#Cc1ccc2ncc(C[N@@H+]3CCCC[C@H]3CCc3ccccc3)n2c1 ZINC000536672833 1046659100 /nfs/dbraw/zinc/65/91/00/1046659100.db2.gz ROVXQPNFQQHRSJ-FQEVSTJZSA-N 1 0 344.462 4.193 20 30 EIEDRO Cc1ccc(C)c([C@@H]2CN(Cc3ccc(C#N)cc3F)[C@H](C)CO2)c1 ZINC000536680558 1046669377 /nfs/dbraw/zinc/66/93/77/1046669377.db2.gz UFIUTCDSFBRYNW-IERDGZPVSA-N 1 0 338.426 4.276 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(OCC3CCCC3)CC2)cc1 ZINC000536711488 1046720805 /nfs/dbraw/zinc/72/08/05/1046720805.db2.gz ZVMXYODTGYGSKE-UHFFFAOYSA-N 1 0 329.484 4.423 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000128068309 1046758023 /nfs/dbraw/zinc/75/80/23/1046758023.db2.gz ZJCJEUIHXVDKEF-UONOGXRCSA-N 1 0 341.842 4.280 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)cc1F ZINC000459548881 1046767788 /nfs/dbraw/zinc/76/77/88/1046767788.db2.gz UYUHLKCGGZQHAB-FQEVSTJZSA-N 1 0 338.426 4.081 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459588716 1046786465 /nfs/dbraw/zinc/78/64/65/1046786465.db2.gz HSYZOJSVYVPYEX-RHSMWYFYSA-N 1 0 333.863 4.070 20 30 EIEDRO C=CC[N@@H+](CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)C(C)C ZINC000917168470 1046793942 /nfs/dbraw/zinc/79/39/42/1046793942.db2.gz SRXCZQQHNWZPTF-FQEVSTJZSA-N 1 0 344.499 4.035 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170468131 1046802373 /nfs/dbraw/zinc/80/23/73/1046802373.db2.gz HAXLSVRZEYXLMZ-VQHPVUNQSA-N 1 0 337.508 4.225 20 30 EIEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCC1CC1 ZINC000925435708 1046820186 /nfs/dbraw/zinc/82/01/86/1046820186.db2.gz ANBUMEYLFGZCIC-INIZCTEOSA-N 1 0 349.519 4.086 20 30 EIEDRO CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)S)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170469971 1046826882 /nfs/dbraw/zinc/82/68/82/1046826882.db2.gz MQYIXLKPBSOPMA-QKDCVEJESA-N 1 0 344.565 4.241 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)c1 ZINC000786852621 1046876390 /nfs/dbraw/zinc/87/63/90/1046876390.db2.gz HTNVOXOFSZCFMQ-SCWSEQNSSA-N 1 0 338.451 4.233 20 30 EIEDRO C#CC[N@@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CCc2ccccc21 ZINC000917457410 1046897851 /nfs/dbraw/zinc/89/78/51/1046897851.db2.gz PYMMZLITAAQSNT-OAQYLSRUSA-N 1 0 328.415 4.063 20 30 EIEDRO CC[N@H+](CC(=O)N(CC(C)C)CC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000497620354 1046898119 /nfs/dbraw/zinc/89/81/19/1046898119.db2.gz NKUUOLMYZDRORR-GOSISDBHSA-N 1 0 343.515 4.082 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000537041736 1046913285 /nfs/dbraw/zinc/91/32/85/1046913285.db2.gz AEXHEBISXLQDHZ-CYBMUJFWSA-N 1 0 345.240 4.050 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)ccc1OC(C)C ZINC000537050287 1046916434 /nfs/dbraw/zinc/91/64/34/1046916434.db2.gz HTTWABWVLYLVMM-AWEZNQCLSA-N 1 0 342.414 4.344 20 30 EIEDRO COc1ccccc1[C@@H](C/N=C\c1ccccc1O)[NH+]1CCCCC1 ZINC000917559290 1046969474 /nfs/dbraw/zinc/96/94/74/1046969474.db2.gz KEXRDBODXVLNPR-MLPWYGTASA-N 1 0 338.451 4.047 20 30 EIEDRO COc1ccc(CN[NH+]=C(C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000917548468 1046983513 /nfs/dbraw/zinc/98/35/13/1046983513.db2.gz JYPGBDPRYMCHAV-UHFFFAOYSA-N 1 0 337.467 4.199 20 30 EIEDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001170075575 1047031604 /nfs/dbraw/zinc/03/16/04/1047031604.db2.gz SSYMZRICMZMQPK-WBVHZDCISA-N 1 0 330.447 4.367 20 30 EIEDRO Cc1cc(C)cc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000537295798 1047078941 /nfs/dbraw/zinc/07/89/41/1047078941.db2.gz PUHMPPDCMJOQPC-LJQANCHMSA-N 1 0 347.506 4.490 20 30 EIEDRO C#CCC1(C(=O)NCc2ccccc2C[NH+](CC)CC)CCCCC1 ZINC000788151207 1047122689 /nfs/dbraw/zinc/12/26/89/1047122689.db2.gz FKMIPBVRYOKLQL-UHFFFAOYSA-N 1 0 340.511 4.118 20 30 EIEDRO CC(C)(C#N)CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000537363602 1047155430 /nfs/dbraw/zinc/15/54/30/1047155430.db2.gz OUWDHKAONGNSOA-UHFFFAOYSA-N 1 0 345.490 4.314 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000806174761 1047160608 /nfs/dbraw/zinc/16/06/08/1047160608.db2.gz NAEGHWUGLMNGCL-ROUUACIJSA-N 1 0 348.368 4.351 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)c(F)c1 ZINC000537400038 1047189635 /nfs/dbraw/zinc/18/96/35/1047189635.db2.gz ICCGKZARJACNBS-YJYMSZOUSA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(Br)cc(F)c1[O-] ZINC000806177462 1047200905 /nfs/dbraw/zinc/20/09/05/1047200905.db2.gz ARAKZMNIJVSXBK-SNVBAGLBSA-N 1 0 343.240 4.274 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000806178207 1047201819 /nfs/dbraw/zinc/20/18/19/1047201819.db2.gz POADKYFWSHRAQE-JKSUJKDBSA-N 1 0 337.508 4.084 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000788652972 1047253285 /nfs/dbraw/zinc/25/32/85/1047253285.db2.gz UNPFCRQGXDDTCC-INIZCTEOSA-N 1 0 343.883 4.117 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)c1 ZINC000788644249 1047259279 /nfs/dbraw/zinc/25/92/79/1047259279.db2.gz MIWSVMAEIZXHNZ-RDJZCZTQSA-N 1 0 341.842 4.193 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)cc1 ZINC000154603093 1047273700 /nfs/dbraw/zinc/27/37/00/1047273700.db2.gz PQENVROYTVKALB-DYVFJYSZSA-N 1 0 337.872 4.264 20 30 EIEDRO Cc1nc2ccc(CN3CCO[C@H](c4ccc(C#N)cc4)C3)cc2s1 ZINC000897595582 1047332756 /nfs/dbraw/zinc/33/27/56/1047332756.db2.gz COFAXXKHKWZFDH-IBGZPJMESA-N 1 0 349.459 4.050 20 30 EIEDRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]Cc1nc(C#N)cs1 ZINC000897629453 1047403848 /nfs/dbraw/zinc/40/38/48/1047403848.db2.gz VLLRMRZFOQYYNN-NSHDSACASA-N 1 0 339.386 4.144 20 30 EIEDRO CCCCCCCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000918330436 1047405029 /nfs/dbraw/zinc/40/50/29/1047405029.db2.gz DUUIOPYNIOWGGY-UHFFFAOYSA-N 1 0 334.479 4.267 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)c1 ZINC000154695235 1047407181 /nfs/dbraw/zinc/40/71/81/1047407181.db2.gz SNYPAZNEXIWWRP-YWZLYKJASA-N 1 0 342.389 4.423 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746815821 1047427410 /nfs/dbraw/zinc/42/74/10/1047427410.db2.gz NMELCKOCKGZWGH-UZQMFHLOSA-N 1 0 346.858 4.166 20 30 EIEDRO CCOc1ccc(/C=N/C[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(O)c1 ZINC000746816277 1047428532 /nfs/dbraw/zinc/42/85/32/1047428532.db2.gz QSNBFANALKRVHH-AGKWGAAGSA-N 1 0 346.858 4.166 20 30 EIEDRO C=CCC1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)CCC1 ZINC001131026967 1047487545 /nfs/dbraw/zinc/48/75/45/1047487545.db2.gz HIMWKHIJZYUKMD-HXUWFJFHSA-N 1 0 340.511 4.102 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2cncs2)cc1OC ZINC000897930138 1047510523 /nfs/dbraw/zinc/51/05/23/1047510523.db2.gz JIQRPHBODMOBAX-LLVKDONJSA-N 1 0 338.860 4.221 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000556198749 1047557335 /nfs/dbraw/zinc/55/73/35/1047557335.db2.gz WOMFDBHXPWRUAW-AQFXKWCLSA-N 1 0 340.389 4.247 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC001168285544 1047605132 /nfs/dbraw/zinc/60/51/32/1047605132.db2.gz UZQHWNYZFKQALX-OFNKIYASSA-N 1 0 348.490 4.327 20 30 EIEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000460355362 1047666871 /nfs/dbraw/zinc/66/68/71/1047666871.db2.gz WTQHUDPRZJSBEN-YSIASYRMSA-N 1 0 341.499 4.126 20 30 EIEDRO C[C@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000556598603 1047838141 /nfs/dbraw/zinc/83/81/41/1047838141.db2.gz RDNVWWAPGVMEET-BTYIYWSLSA-N 1 0 330.435 4.009 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC001170732178 1047877475 /nfs/dbraw/zinc/87/74/75/1047877475.db2.gz IESBXEOXHWUUOH-HXUWFJFHSA-N 1 0 338.838 4.181 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CC[C@]2(C1)CCc1ccccc1O2 ZINC001170732177 1047877774 /nfs/dbraw/zinc/87/77/74/1047877774.db2.gz IESBXEOXHWUUOH-FQEVSTJZSA-N 1 0 338.838 4.181 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1 ZINC000824716171 1047909275 /nfs/dbraw/zinc/90/92/75/1047909275.db2.gz SRCMMLZMPDJHSA-UMVBOHGHSA-N 1 0 326.362 4.140 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(N2CCCOC2=O)cc1 ZINC000814249752 1047918506 /nfs/dbraw/zinc/91/85/06/1047918506.db2.gz NCTHMCDOAWOTNB-JKSUJKDBSA-N 1 0 349.434 4.317 20 30 EIEDRO C=CCN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)C(C)C ZINC000919656012 1047927932 /nfs/dbraw/zinc/92/79/32/1047927932.db2.gz DROHCAYKWUPHCV-HXUWFJFHSA-N 1 0 343.515 4.066 20 30 EIEDRO Cc1ccc2c(C[N@@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)c[nH]c2c1 ZINC001136974879 1048007677 /nfs/dbraw/zinc/00/76/77/1048007677.db2.gz QKUHYNQDAGVJNY-FQEVSTJZSA-N 1 0 345.446 4.391 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCN(C)c3ccccc32)cc1 ZINC000825111104 1048037889 /nfs/dbraw/zinc/03/78/89/1048037889.db2.gz LCKJPWCXOOJADT-NRFANRHFSA-N 1 0 348.494 4.097 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)cc1 ZINC000825130190 1048038865 /nfs/dbraw/zinc/03/88/65/1048038865.db2.gz PCYUOBWENNSAAZ-OAHLLOKOSA-N 1 0 340.854 4.496 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)cc1C#N ZINC000808709583 1048056674 /nfs/dbraw/zinc/05/66/74/1048056674.db2.gz XUABFTYDEMJDMJ-GFCCVEGCSA-N 1 0 330.815 4.085 20 30 EIEDRO N#CCCc1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1 ZINC001170753036 1048076777 /nfs/dbraw/zinc/07/67/77/1048076777.db2.gz YLHGROAVRQZSLB-QFIPXVFZSA-N 1 0 333.479 4.262 20 30 EIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000808762762 1048090177 /nfs/dbraw/zinc/09/01/77/1048090177.db2.gz CEYGURSUAXYAFI-CYBMUJFWSA-N 1 0 333.229 4.433 20 30 EIEDRO Cc1cc(C)cc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000556872084 1048093767 /nfs/dbraw/zinc/09/37/67/1048093767.db2.gz MQJSFNLHFBWXGA-GOSISDBHSA-N 1 0 333.479 4.495 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1ccco1 ZINC000556886308 1048106412 /nfs/dbraw/zinc/10/64/12/1048106412.db2.gz SBVDARJAUSJITN-CYBMUJFWSA-N 1 0 340.345 4.369 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000814659824 1048107313 /nfs/dbraw/zinc/10/73/13/1048107313.db2.gz PZXJCJUJMRLNHU-QGZVFWFLSA-N 1 0 327.359 4.259 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000808788922 1048109240 /nfs/dbraw/zinc/10/92/40/1048109240.db2.gz YSTKWNPKYOGSHS-XZOQPEGZSA-N 1 0 342.442 4.431 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CCCCC#N)C2)C1 ZINC000814673341 1048112027 /nfs/dbraw/zinc/11/20/27/1048112027.db2.gz IDXNPGABOCERQR-ZWKOTPCHSA-N 1 0 349.519 4.039 20 30 EIEDRO C=CCN(Cc1cccs1)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000499052143 1048124567 /nfs/dbraw/zinc/12/45/67/1048124567.db2.gz AFSRRANDABQTSC-CVEARBPZSA-N 1 0 340.492 4.102 20 30 EIEDRO CSCCCC=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000814769425 1048163526 /nfs/dbraw/zinc/16/35/26/1048163526.db2.gz OFCNSOKVNGWBEE-UHFFFAOYSA-N 1 0 340.905 4.201 20 30 EIEDRO C[N@H+](CCCc1ccc(Cl)cc1)CCOCc1ccc(C#N)cc1 ZINC001170769561 1048227963 /nfs/dbraw/zinc/22/79/63/1048227963.db2.gz RXGPDWUANNTCAF-UHFFFAOYSA-N 1 0 342.870 4.293 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2cccc(OC)c2)c1O ZINC000919936814 1048318321 /nfs/dbraw/zinc/31/83/21/1048318321.db2.gz QYWAIRDIFWCHQD-UHFFFAOYSA-N 1 0 341.451 4.160 20 30 EIEDRO CC[N@H+](CCOCCC#N)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000815069354 1048320329 /nfs/dbraw/zinc/32/03/29/1048320329.db2.gz SSWHYOFLCXTOGC-FQEVSTJZSA-N 1 0 326.415 4.167 20 30 EIEDRO C=CC[C@@H](C)C(=O)n1c2ccc(OCC)cc2c(=[NH2+])c2ccc(N)cc21 ZINC001144020407 1048368980 /nfs/dbraw/zinc/36/89/80/1048368980.db2.gz JKNDKSMLQXQBCA-CYBMUJFWSA-N 1 0 349.434 4.107 20 30 EIEDRO C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H](CC)CCCCCC)C2 ZINC001170581459 1048375410 /nfs/dbraw/zinc/37/54/10/1048375410.db2.gz LMCMRPKXUAKXAC-OALUTQOASA-N 1 0 330.516 4.230 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000809605204 1048414229 /nfs/dbraw/zinc/41/42/29/1048414229.db2.gz DCWLQOYNSXQDIN-UHFFFAOYSA-N 1 0 340.426 4.210 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cccnc2Oc2cccc(OC)c2)cc1 ZINC000809623633 1048442709 /nfs/dbraw/zinc/44/27/09/1048442709.db2.gz ZLYGMDUCIQXUCT-UHFFFAOYSA-N 1 0 344.414 4.154 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc3c(c2)nc(CC)n3C2CC2)cc1 ZINC000809662672 1048468206 /nfs/dbraw/zinc/46/82/06/1048468206.db2.gz CNVUPNFUJSFFEJ-UHFFFAOYSA-N 1 0 329.447 4.205 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)/C=C(/C)c1ccccc1C)C(C)C ZINC001144197697 1048487737 /nfs/dbraw/zinc/48/77/37/1048487737.db2.gz KHXRABXXCJQQGZ-SACXWWFQSA-N 1 0 340.511 4.213 20 30 EIEDRO C=CC[C@H]([NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1)c1ccncc1 ZINC000815580440 1048520030 /nfs/dbraw/zinc/52/00/30/1048520030.db2.gz KFSQYOJYQXPALL-WDSOQIARSA-N 1 0 330.472 4.191 20 30 EIEDRO C#CCCC1(CC[NH2+][C@@H]2CCc3cc(Cl)c(Cl)cc3C2)N=N1 ZINC001171151714 1048524133 /nfs/dbraw/zinc/52/41/33/1048524133.db2.gz YEWNTIGRBAZIIY-CQSZACIVSA-N 1 0 336.266 4.406 20 30 EIEDRO C#C[C@@H]([NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C(C)(C)C ZINC000809782294 1048528785 /nfs/dbraw/zinc/52/87/85/1048528785.db2.gz NQKGOKYEESPKGW-GOSISDBHSA-N 1 0 336.882 4.081 20 30 EIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)cn1 ZINC001144262592 1048543269 /nfs/dbraw/zinc/54/32/69/1048543269.db2.gz CKCXTJXVXVFICD-KRWDZBQOSA-N 1 0 343.430 4.422 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000815634809 1048565569 /nfs/dbraw/zinc/56/55/69/1048565569.db2.gz QYPBLRCHPZVVEH-STQMWFEESA-N 1 0 326.282 4.415 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2-n2ccnc2)c(O)c1 ZINC000920176887 1048574038 /nfs/dbraw/zinc/57/40/38/1048574038.db2.gz BCBNNTNPTYDGQM-HZHRSRAPSA-N 1 0 348.450 4.043 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N=Cc2cc3ccccc3[nH]c2=O)C1 ZINC000920175621 1048574863 /nfs/dbraw/zinc/57/48/63/1048574863.db2.gz YZKLFLJJKFJMJT-CFZWTVACSA-N 1 0 345.446 4.195 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccccc2-n2ccnc2)c(O)c1 ZINC000920176885 1048574917 /nfs/dbraw/zinc/57/49/17/1048574917.db2.gz BCBNNTNPTYDGQM-HAHDFKILSA-N 1 0 348.450 4.043 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc4ccccc4c3C#N)c2c1 ZINC001171164580 1048603421 /nfs/dbraw/zinc/60/34/21/1048603421.db2.gz JFQAPOCHJHGTIJ-HNNXBMFYSA-N 1 0 340.430 4.249 20 30 EIEDRO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCOC(C)(C)C1 ZINC000810042913 1048606339 /nfs/dbraw/zinc/60/63/39/1048606339.db2.gz BVGZCRCBMNIUEH-INIZCTEOSA-N 1 0 336.863 4.022 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001171178710 1048660575 /nfs/dbraw/zinc/66/05/75/1048660575.db2.gz JVNXNYKJFSHASK-HNNXBMFYSA-N 1 0 333.460 4.403 20 30 EIEDRO COc1ccc(C(C)=NNc2cccc(F)c2)cc1C[NH+]1CCCC1 ZINC000920384590 1048660853 /nfs/dbraw/zinc/66/08/53/1048660853.db2.gz YIJZZLLJSDBYJB-UHFFFAOYSA-N 1 0 341.430 4.266 20 30 EIEDRO COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@H](C)Cc1cccc(C#N)c1 ZINC001171181476 1048662996 /nfs/dbraw/zinc/66/29/96/1048662996.db2.gz LRBBOKMJUAYRAT-JKSUJKDBSA-N 1 0 347.462 4.215 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC001171186473 1048677772 /nfs/dbraw/zinc/67/77/72/1048677772.db2.gz WNBSNGFKKXFOQT-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO CC(C)(C)c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810217975 1048686287 /nfs/dbraw/zinc/68/62/87/1048686287.db2.gz DJXZLMYPVAMJQI-RTWAWAEBSA-N 1 0 334.463 4.166 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(Br)nc1)c1ccncc1 ZINC000810219414 1048688404 /nfs/dbraw/zinc/68/84/04/1048688404.db2.gz RGZVVTHHEWZOMC-IUODEOHRSA-N 1 0 332.245 4.207 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)nc1)c1cccc(C#N)c1 ZINC000810221532 1048689737 /nfs/dbraw/zinc/68/97/37/1048689737.db2.gz QMXRVZLUYJKQOQ-NEPJUHHUSA-N 1 0 330.229 4.128 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccncc1Cl)C1CC1 ZINC001171197746 1048719807 /nfs/dbraw/zinc/71/98/07/1048719807.db2.gz BYICKHIGXISSEH-BFUOFWGJSA-N 1 0 325.843 4.279 20 30 EIEDRO C#Cc1ccc(C[N@@H+]([C@H](C)c2ccccc2)[C@@H]2CN3CCC2CC3)cc1 ZINC001144578347 1048729288 /nfs/dbraw/zinc/72/92/88/1048729288.db2.gz BGHPIWWPQVQXBL-NTKDMRAZSA-N 1 0 344.502 4.325 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)ccc1C#N ZINC000810251427 1048730398 /nfs/dbraw/zinc/73/03/98/1048730398.db2.gz RZVGOHJBPQLVPM-CQSZACIVSA-N 1 0 332.403 4.276 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccsc1Br ZINC001171201913 1048756251 /nfs/dbraw/zinc/75/62/51/1048756251.db2.gz SWRGRNQCGJXNFA-GFCCVEGCSA-N 1 0 349.297 4.146 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(-c2ccccc2F)no1 ZINC001171201806 1048756943 /nfs/dbraw/zinc/75/69/43/1048756943.db2.gz RDMKFPHTWUHNHW-AWEZNQCLSA-N 1 0 335.382 4.073 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccc(Cl)cn1)C1CC1 ZINC001171201462 1048759400 /nfs/dbraw/zinc/75/94/00/1048759400.db2.gz MATUHAMITRPMHJ-YJYMSZOUSA-N 1 0 325.843 4.279 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)C1 ZINC000845935559 1048767964 /nfs/dbraw/zinc/76/79/64/1048767964.db2.gz DZHUIERRFIEXSU-NUJGCVRESA-N 1 0 346.490 4.182 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)C1 ZINC000845944258 1048770251 /nfs/dbraw/zinc/77/02/51/1048770251.db2.gz NZTDOXRKUQSPHQ-IEBWSBKVSA-N 1 0 327.516 4.056 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001171202328 1048771052 /nfs/dbraw/zinc/77/10/52/1048771052.db2.gz BKZNIQMMUMRMBP-MBSDFSHPSA-N 1 0 341.458 4.396 20 30 EIEDRO CC[C@H](OCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000846021043 1048790289 /nfs/dbraw/zinc/79/02/89/1048790289.db2.gz UJDXDZLFSOFWRG-UTKZUKDTSA-N 1 0 338.451 4.235 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1 ZINC000846101310 1048819967 /nfs/dbraw/zinc/81/99/67/1048819967.db2.gz AKNDMZRNTJEBIW-OAHLLOKOSA-N 1 0 341.282 4.433 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001135606714 1048821399 /nfs/dbraw/zinc/82/13/99/1048821399.db2.gz YMBKTWOMCZHSMM-UHFFFAOYSA-N 1 0 346.540 4.349 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001171220459 1048851529 /nfs/dbraw/zinc/85/15/29/1048851529.db2.gz ADYPXIUUEVKDEG-QGZVFWFLSA-N 1 0 329.447 4.241 20 30 EIEDRO C#Cc1cccc(NC(=O)N(CC[NH+](CC)CC)Cc2ccccc2)c1 ZINC000921113541 1048853658 /nfs/dbraw/zinc/85/36/58/1048853658.db2.gz OBSHEKFCYRYMOF-UHFFFAOYSA-N 1 0 349.478 4.044 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001171220995 1048856662 /nfs/dbraw/zinc/85/66/62/1048856662.db2.gz GVXLUXWXRUFLFI-IBGZPJMESA-N 1 0 347.506 4.086 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(Sc2ccncc2)CC1 ZINC001171222966 1048857724 /nfs/dbraw/zinc/85/77/24/1048857724.db2.gz KQAFRDDGIRFQSN-MRXNPFEDSA-N 1 0 337.492 4.141 20 30 EIEDRO CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001171222086 1048858934 /nfs/dbraw/zinc/85/89/34/1048858934.db2.gz CQJYMCGRLJXPGG-XXBNENTESA-N 1 0 347.506 4.086 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001171224234 1048859027 /nfs/dbraw/zinc/85/90/27/1048859027.db2.gz QCMTUJFTZGZZFV-FOIQADDNSA-N 1 0 340.467 4.418 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(n2ncc3ccccc32)CC1 ZINC001171223192 1048860003 /nfs/dbraw/zinc/86/00/03/1048860003.db2.gz LMVRQCGDFHKLEY-KRWDZBQOSA-N 1 0 344.462 4.176 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001171230805 1048869936 /nfs/dbraw/zinc/86/99/36/1048869936.db2.gz YGDJWTLABIORAB-QRWLVFNGSA-N 1 0 340.467 4.495 20 30 EIEDRO CCCCCCCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000772948725 1048885805 /nfs/dbraw/zinc/88/58/05/1048885805.db2.gz LENLCQWPZULGKX-OAHLLOKOSA-N 1 0 326.506 4.069 20 30 EIEDRO CCCCCCCCCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000846700903 1048887995 /nfs/dbraw/zinc/88/79/95/1048887995.db2.gz ZSKGISPNDIFEKU-IPMKNSEASA-N 1 0 338.536 4.015 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2c(C)onc2CC)cc(OC)c1OC ZINC000772956689 1048922164 /nfs/dbraw/zinc/92/21/64/1048922164.db2.gz WTCRVIGFIIJYLP-CYBMUJFWSA-N 1 0 344.455 4.142 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817412012 1048964399 /nfs/dbraw/zinc/96/43/99/1048964399.db2.gz BDDVNEYUHYWQNY-DZGCQCFKSA-N 1 0 326.362 4.142 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847027845 1048983568 /nfs/dbraw/zinc/98/35/68/1048983568.db2.gz DFVILRHDTQRTKI-ZWKOTPCHSA-N 1 0 332.447 4.026 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)cc1 ZINC000772958894 1048999168 /nfs/dbraw/zinc/99/91/68/1048999168.db2.gz INFPBKJNVKIQBN-LJQANCHMSA-N 1 0 326.827 4.410 20 30 EIEDRO CCCCC/C(=C/c1ccccc1)C[NH2+]C1CCN(CC#N)CC1 ZINC000609334810 1049010624 /nfs/dbraw/zinc/01/06/24/1049010624.db2.gz IOYCVFJQCAGMTK-JZJYNLBNSA-N 1 0 325.500 4.228 20 30 EIEDRO CCCC[N@H+](CCC#N)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170878662 1049040682 /nfs/dbraw/zinc/04/06/82/1049040682.db2.gz LOTGFFDYHYFLDW-KRWDZBQOSA-N 1 0 335.289 4.322 20 30 EIEDRO C=C(C)CCc1ccccc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171285816 1049051665 /nfs/dbraw/zinc/05/16/65/1049051665.db2.gz PRWJAWSCPADTDX-UHFFFAOYSA-N 1 0 335.495 4.217 20 30 EIEDRO CCOc1ccc(/C=N\Cc2ccc(C[NH+]3CCCC3)cc2)c(O)c1 ZINC000747713403 1049056820 /nfs/dbraw/zinc/05/68/20/1049056820.db2.gz VVLCCBJEDBMUHU-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO C[NH+]1CCC(Oc2ccc(Nc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC001212258333 1049058987 /nfs/dbraw/zinc/05/89/87/1049058987.db2.gz XEUPPWJQXJZWIV-UHFFFAOYSA-N 1 0 347.462 4.458 20 30 EIEDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)CC2 ZINC001171300243 1049103687 /nfs/dbraw/zinc/10/36/87/1049103687.db2.gz WAFHEOILYZLTDJ-CQSZACIVSA-N 1 0 344.817 4.006 20 30 EIEDRO N#Cc1ccc(-c2ccccc2)nc1-n1c(CC[NH3+])cc2ccccc21 ZINC001171300303 1049108216 /nfs/dbraw/zinc/10/82/16/1049108216.db2.gz HSEYHQLMPCDJGO-UHFFFAOYSA-N 1 0 338.414 4.065 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000818346881 1049127392 /nfs/dbraw/zinc/12/73/92/1049127392.db2.gz JNHYAVSJDMLIQZ-SYNHAJSKSA-N 1 0 332.463 4.058 20 30 EIEDRO N#Cc1cccc(OCC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000609541395 1049143872 /nfs/dbraw/zinc/14/38/72/1049143872.db2.gz MULATULDULMYOJ-QGZVFWFLSA-N 1 0 326.827 4.080 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C)c(OCC2CCCCC2)c1 ZINC001147469520 1049153294 /nfs/dbraw/zinc/15/32/94/1049153294.db2.gz FUZYYUQMLXYZOB-UHFFFAOYSA-N 1 0 330.472 4.010 20 30 EIEDRO N#CCc1ccc(C(F)(F)F)cc1-n1c(CC[NH3+])cc2ccccc21 ZINC001171303975 1049161704 /nfs/dbraw/zinc/16/17/04/1049161704.db2.gz LJWWPNYCLSYULO-UHFFFAOYSA-N 1 0 343.352 4.217 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2sc(C)nc2C)c1 ZINC000772985359 1049245733 /nfs/dbraw/zinc/24/57/33/1049245733.db2.gz QZASETMGZQPGSQ-MLGOLLRUSA-N 1 0 329.469 4.292 20 30 EIEDRO C=CC[C@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccncc1 ZINC000819074032 1049258037 /nfs/dbraw/zinc/25/80/37/1049258037.db2.gz KIEYLZTXJYKLFR-DLBZAZTESA-N 1 0 336.357 4.041 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(Cl)nc2)c1 ZINC000772986049 1049270328 /nfs/dbraw/zinc/27/03/28/1049270328.db2.gz ZDWYDMQTNFOHLK-CZUORRHYSA-N 1 0 329.831 4.267 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000772988622 1049286775 /nfs/dbraw/zinc/28/67/75/1049286775.db2.gz SGOMHUHEYAMJKK-GOSISDBHSA-N 1 0 341.838 4.356 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000772987966 1049288370 /nfs/dbraw/zinc/28/83/70/1049288370.db2.gz NIEOEUMDOGYPBE-BBRMVZONSA-N 1 0 329.490 4.475 20 30 EIEDRO CC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000609771973 1049312688 /nfs/dbraw/zinc/31/26/88/1049312688.db2.gz LHQUEAXUOVQKFN-MRXNPFEDSA-N 1 0 347.890 4.099 20 30 EIEDRO CC#Cc1cncc(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)c1 ZINC001170647958 1049316672 /nfs/dbraw/zinc/31/66/72/1049316672.db2.gz SHMPASBJSMRCQS-ZYFYDLNSSA-N 1 0 345.490 4.085 20 30 EIEDRO C=CCCCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000811926951 1049321420 /nfs/dbraw/zinc/32/14/20/1049321420.db2.gz FYOLNUBXESNHEJ-ICSRJNTNSA-N 1 0 347.547 4.171 20 30 EIEDRO C=CCCCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000811926953 1049322846 /nfs/dbraw/zinc/32/28/46/1049322846.db2.gz FYOLNUBXESNHEJ-UYAOXDASSA-N 1 0 347.547 4.171 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)c1cccc([C@H](C)C#N)c1 ZINC001148621563 1049346681 /nfs/dbraw/zinc/34/66/81/1049346681.db2.gz CUGFXHQEQSGHQM-DNVCBOLYSA-N 1 0 333.435 4.063 20 30 EIEDRO C=CCC1(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCCCC1 ZINC001136254441 1049365274 /nfs/dbraw/zinc/36/52/74/1049365274.db2.gz OQHHCQDGJZBQFR-KDURUIRLSA-N 1 0 334.548 4.387 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812311424 1049424502 /nfs/dbraw/zinc/42/45/02/1049424502.db2.gz CADBNJLQKQMXQP-MRXNPFEDSA-N 1 0 341.398 4.489 20 30 EIEDRO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001133257026 1049435204 /nfs/dbraw/zinc/43/52/04/1049435204.db2.gz IFJYMKBZRXOBLA-ICSRJNTNSA-N 1 0 328.500 4.102 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2ccccc2F)ccc1O ZINC000812460421 1049480461 /nfs/dbraw/zinc/48/04/61/1049480461.db2.gz SCADYMLHOZWUGQ-UHFFFAOYSA-N 1 0 329.419 4.209 20 30 EIEDRO C=CCCCCCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000812494989 1049496003 /nfs/dbraw/zinc/49/60/03/1049496003.db2.gz YUSYASNENWZMLS-IBGZPJMESA-N 1 0 335.536 4.173 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000773008357 1049521390 /nfs/dbraw/zinc/52/13/90/1049521390.db2.gz KOVZDUZAUGFPLH-KUHUBIRLSA-N 1 0 349.833 4.341 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCc2ccccn2)cc1 ZINC000773081297 1049572482 /nfs/dbraw/zinc/57/24/82/1049572482.db2.gz MDDLZYXNVJVSKH-INIZCTEOSA-N 1 0 330.859 4.496 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCc3c2cccc3F)cc(OC)c1OC ZINC000747815407 1049577243 /nfs/dbraw/zinc/57/72/43/1049577243.db2.gz HGAYXYCICAEFLG-IBGZPJMESA-N 1 0 341.426 4.349 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1 ZINC000773106128 1049584406 /nfs/dbraw/zinc/58/44/06/1049584406.db2.gz KFQNHKOELOOTNR-RDTXWAMCSA-N 1 0 327.399 4.258 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC)c1ccccc1 ZINC000773115737 1049586486 /nfs/dbraw/zinc/58/64/86/1049586486.db2.gz OMVSWHFRQFDYAV-QRWLVFNGSA-N 1 0 336.435 4.069 20 30 EIEDRO C#C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C)c1ccc(F)cc1 ZINC000812793435 1049589766 /nfs/dbraw/zinc/58/97/66/1049589766.db2.gz TZTDFTPVGMMTAE-QFBILLFUSA-N 1 0 338.426 4.124 20 30 EIEDRO C#C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000812794341 1049592705 /nfs/dbraw/zinc/59/27/05/1049592705.db2.gz YYRXNTWZWPYXHJ-ATKRNPRHSA-N 1 0 332.422 4.494 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812795113 1049594313 /nfs/dbraw/zinc/59/43/13/1049594313.db2.gz LVXKGLMJHAYERY-KDOFPFPSSA-N 1 0 326.371 4.019 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)c2ccc(F)cc2)cc1 ZINC000237565218 1049613832 /nfs/dbraw/zinc/61/38/32/1049613832.db2.gz LFKTWXXPYMNFLR-OAHLLOKOSA-N 1 0 326.415 4.184 20 30 EIEDRO [NH2+]=C(N[C@@H]1CCc2c(F)cccc2C1)c1ccc(C(F)(F)F)cc1 ZINC001171397359 1049616666 /nfs/dbraw/zinc/61/66/66/1049616666.db2.gz QIZAPCVFFWRHEX-CQSZACIVSA-N 1 0 336.332 4.107 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171423062 1049660560 /nfs/dbraw/zinc/66/05/60/1049660560.db2.gz XDINIZYHVZOZCJ-LJQANCHMSA-N 1 0 334.438 4.240 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000037129025 1049661396 /nfs/dbraw/zinc/66/13/96/1049661396.db2.gz NITDXVAFTLRFDL-UHFFFAOYSA-N 1 0 329.241 4.346 20 30 EIEDRO N#Cc1cccc(C2CC[NH+]([C@H]3CCc4c(F)cccc4C3)CC2)c1 ZINC001171434926 1049677411 /nfs/dbraw/zinc/67/74/11/1049677411.db2.gz VIFIHFALLBCGRI-FQEVSTJZSA-N 1 0 334.438 4.434 20 30 EIEDRO N#CCc1ccc(N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cc1 ZINC000716731509 1049703738 /nfs/dbraw/zinc/70/37/38/1049703738.db2.gz KKBDTSMHLRUCGD-NNWRFLSQSA-N 1 0 331.463 4.218 20 30 EIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCOc2ccc(C#N)cc2)cc1 ZINC001171484807 1049716190 /nfs/dbraw/zinc/71/61/90/1049716190.db2.gz RWPUGAKUADFFAZ-JOCHJYFZSA-N 1 0 347.462 4.372 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747844338 1049724218 /nfs/dbraw/zinc/72/42/18/1049724218.db2.gz SDKALZVTQVYEGF-OAHLLOKOSA-N 1 0 345.487 4.102 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171590919 1049751732 /nfs/dbraw/zinc/75/17/32/1049751732.db2.gz SGKGCLJIQCWPMZ-OAGGEKHMSA-N 1 0 337.508 4.082 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cnc(-c4ccccc4)nc3)CCC2)cc1 ZINC001171568217 1049758460 /nfs/dbraw/zinc/75/84/60/1049758460.db2.gz VFRYBIKHIRQIKV-UHFFFAOYSA-N 1 0 340.430 4.184 20 30 EIEDRO N#CC1CC([NH2+]C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171646973 1049769036 /nfs/dbraw/zinc/76/90/36/1049769036.db2.gz FYXAUKSPVFSDDL-UHFFFAOYSA-N 1 0 333.273 4.367 20 30 EIEDRO CCCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCc2ncsc2C1 ZINC001171724661 1049785021 /nfs/dbraw/zinc/78/50/21/1049785021.db2.gz YDOLVMPQLAPNKT-MRXNPFEDSA-N 1 0 343.471 4.313 20 30 EIEDRO Cc1cc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc(C)c1C#N ZINC001136615310 1049785814 /nfs/dbraw/zinc/78/58/14/1049785814.db2.gz FMDIDWKOAJVEJU-KRWDZBQOSA-N 1 0 349.478 4.034 20 30 EIEDRO C=CCCC[C@H](C(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001136623511 1049790743 /nfs/dbraw/zinc/79/07/43/1049790743.db2.gz PBJDSWKAMIAJPH-NRFANRHFSA-N 1 0 342.527 4.363 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cscc1C(F)F)C(C)C ZINC001136650029 1049811137 /nfs/dbraw/zinc/81/11/37/1049811137.db2.gz MRVUKKWHBZSTTB-HNNXBMFYSA-N 1 0 342.455 4.114 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CCC(C2CC2)CC1)C(C)C ZINC001136650317 1049811688 /nfs/dbraw/zinc/81/16/88/1049811688.db2.gz WXTQUWOIHIIVAU-MHJFOBGBSA-N 1 0 332.532 4.018 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC001171847278 1049812405 /nfs/dbraw/zinc/81/24/05/1049812405.db2.gz KWTPAPQTMFHBJQ-OLZOCXBDSA-N 1 0 347.459 4.051 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000813783373 1049815317 /nfs/dbraw/zinc/81/53/17/1049815317.db2.gz RAZXXSJJSDTNGI-YADHBBJMSA-N 1 0 328.415 4.123 20 30 EIEDRO CC(C)(C)OC(=O)NCCCCCCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001171911393 1049818369 /nfs/dbraw/zinc/81/83/69/1049818369.db2.gz LKHJUWIBFSSREU-KRWDZBQOSA-N 1 0 337.508 4.087 20 30 EIEDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC001171917016 1049819209 /nfs/dbraw/zinc/81/92/09/1049819209.db2.gz SCGWQWWHUNQNML-AWEZNQCLSA-N 1 0 344.503 4.151 20 30 EIEDRO C=CC[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)[C@@H](C)COC ZINC001171915735 1049819304 /nfs/dbraw/zinc/81/93/04/1049819304.db2.gz GJERQBGRLLTQDD-KRWDZBQOSA-N 1 0 343.442 4.428 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001171958875 1049822670 /nfs/dbraw/zinc/82/26/70/1049822670.db2.gz KFQBQEWKUYLHAD-CQSZACIVSA-N 1 0 332.369 4.340 20 30 EIEDRO CC1(C)C[C@H](N[C@@H](C#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171961590 1049824081 /nfs/dbraw/zinc/82/40/81/1049824081.db2.gz AQEITWBLZPPROU-RTWAWAEBSA-N 1 0 333.479 4.284 20 30 EIEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172051064 1049842757 /nfs/dbraw/zinc/84/27/57/1049842757.db2.gz DYPPQQSLOLNEHW-DLBZAZTESA-N 1 0 349.519 4.371 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1c2ccccc2c2c1CC[C@H]([NH3+])C2 ZINC001172301430 1049873247 /nfs/dbraw/zinc/87/32/47/1049873247.db2.gz OIRJGRFYMRPQME-QAPCUYQASA-N 1 0 329.447 4.133 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc1C(F)(F)F ZINC001172303055 1049873695 /nfs/dbraw/zinc/87/36/95/1049873695.db2.gz UUGPBMVCGTUQCN-ZDUSSCGKSA-N 1 0 348.368 4.306 20 30 EIEDRO Cc1ccc2c(c1)c1c(n2[C@H](C)Cc2ccc(C#N)cc2)CC[NH2+]C1 ZINC001172308721 1049874468 /nfs/dbraw/zinc/87/44/68/1049874468.db2.gz ZKGBBNFEGNGBPS-MRXNPFEDSA-N 1 0 329.447 4.271 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1ncccc1C(F)(F)F ZINC001172314676 1049875392 /nfs/dbraw/zinc/87/53/92/1049875392.db2.gz LEZMOXQTMBUFDK-CYBMUJFWSA-N 1 0 333.357 4.035 20 30 EIEDRO COc1cccc([C@@H]2CCC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172313564 1049875740 /nfs/dbraw/zinc/87/57/40/1049875740.db2.gz ZRWPWLPFLLBUJY-DYESRHJHSA-N 1 0 334.463 4.377 20 30 EIEDRO CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001172311579 1049875979 /nfs/dbraw/zinc/87/59/79/1049875979.db2.gz VDWLIVAAUZIGBM-CVDCTZTESA-N 1 0 347.506 4.086 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1cccc(Br)c1 ZINC001172289743 1049880809 /nfs/dbraw/zinc/88/08/09/1049880809.db2.gz HARAXNOWSVWTAY-AWEZNQCLSA-N 1 0 343.268 4.084 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1cc(CC[NH3+])c2cc(Cl)ccc21 ZINC001172292212 1049882068 /nfs/dbraw/zinc/88/20/68/1049882068.db2.gz DTZQKEPNIZVEKC-CQSZACIVSA-N 1 0 337.854 4.471 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1N1CCCCC1 ZINC001172298571 1049882552 /nfs/dbraw/zinc/88/25/52/1049882552.db2.gz YRBPBGPWYGRSML-SFHVURJKSA-N 1 0 333.479 4.269 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccncc1Cl)C1CC1 ZINC001172299967 1049882800 /nfs/dbraw/zinc/88/28/00/1049882800.db2.gz PZPDGERUPAJNRX-BFUOFWGJSA-N 1 0 325.843 4.279 20 30 EIEDRO COc1ccc(CC(C)(C)C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172298094 1049882875 /nfs/dbraw/zinc/88/28/75/1049882875.db2.gz CVXAVCPLLYYXIL-KRWDZBQOSA-N 1 0 336.479 4.356 20 30 EIEDRO CC[C@H]1C[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CCO1 ZINC000823904324 1049884325 /nfs/dbraw/zinc/88/43/25/1049884325.db2.gz BNXBTELFGBMOCR-SJORKVTESA-N 1 0 326.465 4.334 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000823915098 1049884369 /nfs/dbraw/zinc/88/43/69/1049884369.db2.gz KKIPNWHOXABDLH-WMEQCIOUSA-N 1 0 327.255 4.089 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]CC1(c2cnccn2)CCOCC1 ZINC001172349476 1049891091 /nfs/dbraw/zinc/89/10/91/1049891091.db2.gz CPZCACSIZBZFCM-GOSISDBHSA-N 1 0 333.520 4.254 20 30 EIEDRO CCCCCCC[C@H](CC)n1ccncc1=N[C@H]1CC[C@H]([NH3+])CC1 ZINC001172350195 1049891380 /nfs/dbraw/zinc/89/13/80/1049891380.db2.gz LTTUBFUMDONNMC-FHWLQOOXSA-N 1 0 332.536 4.365 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC001172352167 1049891939 /nfs/dbraw/zinc/89/19/39/1049891939.db2.gz ZOSCQSPBGTXLRU-QGZVFWFLSA-N 1 0 325.518 4.319 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)N(C)C(=O)CO2 ZINC001172359339 1049895484 /nfs/dbraw/zinc/89/54/84/1049895484.db2.gz VVKVJANKTYUTJK-QGZVFWFLSA-N 1 0 332.488 4.271 20 30 EIEDRO CCCCCCC[C@H](CC)N1CCn2c(nnc2C(F)(F)F)C1 ZINC001172358570 1049895542 /nfs/dbraw/zinc/89/55/42/1049895542.db2.gz QHUOFOAZFZOIPX-ZDUSSCGKSA-N 1 0 332.414 4.252 20 30 EIEDRO CCOCC[C@@H](C)[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001172426961 1049900567 /nfs/dbraw/zinc/90/05/67/1049900567.db2.gz KCOVIIGKNZHIQB-GOSISDBHSA-N 1 0 347.462 4.247 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C[C@@]1(C)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001172476409 1049909221 /nfs/dbraw/zinc/90/92/21/1049909221.db2.gz KZOKGEQSJNXVDJ-VQIMIIECSA-N 1 0 337.508 4.086 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001172477861 1049910392 /nfs/dbraw/zinc/91/03/92/1049910392.db2.gz AVTOFKUHMAXDOX-ZACQAIPSSA-N 1 0 337.508 4.132 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]Cc1nc2ccccc2n1Cc1ccccc1 ZINC001172485679 1049911608 /nfs/dbraw/zinc/91/16/08/1049911608.db2.gz SGTFINJMXSMERE-KRWDZBQOSA-N 1 0 332.451 4.257 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001172485949 1049911664 /nfs/dbraw/zinc/91/16/64/1049911664.db2.gz WLYLEHZUDOGLMZ-RDJZCZTQSA-N 1 0 343.471 4.025 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1(CC2CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001172486320 1049911728 /nfs/dbraw/zinc/91/17/28/1049911728.db2.gz DEWCLPUDZNWYTH-MRXNPFEDSA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1(C)CC1 ZINC000246130211 1049915724 /nfs/dbraw/zinc/91/57/24/1049915724.db2.gz MHURZZBLFKKMSK-LSDHHAIUSA-N 1 0 345.512 4.140 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000616750716 1049917479 /nfs/dbraw/zinc/91/74/79/1049917479.db2.gz KAHKIJHFUCDCKB-TZIWHRDSSA-N 1 0 338.426 4.297 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001172491830 1049920272 /nfs/dbraw/zinc/92/02/72/1049920272.db2.gz PKWNHCJQJRWJRZ-HNNXBMFYSA-N 1 0 343.471 4.156 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]Cc1coc(-c2cccc(Br)c2)n1 ZINC001172492475 1049921915 /nfs/dbraw/zinc/92/19/15/1049921915.db2.gz SBUJTMQDEMVOOS-GFCCVEGCSA-N 1 0 348.244 4.276 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1 ZINC001172494960 1049922324 /nfs/dbraw/zinc/92/23/24/1049922324.db2.gz AFMDPHUYGXJIBI-XLIONFOSSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001172503037 1049922741 /nfs/dbraw/zinc/92/27/41/1049922741.db2.gz XVBGEZQTQYJZQM-CQSZACIVSA-N 1 0 331.847 4.137 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001172500029 1049922754 /nfs/dbraw/zinc/92/27/54/1049922754.db2.gz IRYHDLPCLQGWDI-ZDUSSCGKSA-N 1 0 326.271 4.198 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001172502963 1049923073 /nfs/dbraw/zinc/92/30/73/1049923073.db2.gz UXIGTSNLESAKRF-SFHVURJKSA-N 1 0 325.541 4.251 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH+]1CC([C@@H](N)C(=O)OC(C)(C)C)C1 ZINC001172504852 1049924353 /nfs/dbraw/zinc/92/43/53/1049924353.db2.gz HLMHUWLVUJJFKI-QZTJIDSGSA-N 1 0 340.552 4.116 20 30 EIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172560466 1049933679 /nfs/dbraw/zinc/93/36/79/1049933679.db2.gz IOVDNYZUAUNMDL-YUMYIRISSA-N 1 0 341.495 4.149 20 30 EIEDRO CCCC[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172645879 1049955295 /nfs/dbraw/zinc/95/52/95/1049955295.db2.gz PBHHUNIKNZMYGK-QKLQHJQFSA-N 1 0 349.519 4.180 20 30 EIEDRO CC1(C)CC([N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC(C)(C)O1 ZINC001172661324 1049959625 /nfs/dbraw/zinc/95/96/25/1049959625.db2.gz SHGBOJVHQWOYQN-LJQANCHMSA-N 1 0 342.483 4.138 20 30 EIEDRO CCCC[C@H]1C[C@H]([NH2+]CC(C)(C)S)CCN1C(=O)OC(C)(C)C ZINC001172626977 1049961266 /nfs/dbraw/zinc/96/12/66/1049961266.db2.gz NCUKRGJUUZSPBM-CABCVRRESA-N 1 0 344.565 4.243 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172675614 1049962737 /nfs/dbraw/zinc/96/27/37/1049962737.db2.gz IAYANEQCKVMNTB-JOCHJYFZSA-N 1 0 348.490 4.256 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(OCc2ccccn2)c1 ZINC000248717690 1050073822 /nfs/dbraw/zinc/07/38/22/1050073822.db2.gz CAXRAPANJHMSQR-SCTDSRPQSA-N 1 0 335.451 4.394 20 30 EIEDRO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000069337615 1050074533 /nfs/dbraw/zinc/07/45/33/1050074533.db2.gz PYSPWPBJALRLHB-QGZVFWFLSA-N 1 0 344.499 4.371 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(OCC#N)cc1 ZINC000249303851 1050097091 /nfs/dbraw/zinc/09/70/91/1050097091.db2.gz IDCLREXKVOGTSN-NWANDNLSSA-N 1 0 326.362 4.361 20 30 EIEDRO C=CC[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000617777305 1050102305 /nfs/dbraw/zinc/10/23/05/1050102305.db2.gz MBXZAXDNBDQFAX-GOSISDBHSA-N 1 0 326.484 4.101 20 30 EIEDRO C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001172848102 1050185851 /nfs/dbraw/zinc/18/58/51/1050185851.db2.gz RQQPSDCFNPAFAL-CYBMUJFWSA-N 1 0 328.818 4.340 20 30 EIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181570347 1050215094 /nfs/dbraw/zinc/21/50/94/1050215094.db2.gz LAGBXOVSDBRSJC-ROUUACIJSA-N 1 0 338.451 4.324 20 30 EIEDRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972823 1050247273 /nfs/dbraw/zinc/24/72/73/1050247273.db2.gz BZNLOELUDDZWII-BBWFWOEESA-N 1 0 337.508 4.082 20 30 EIEDRO Cc1ccccc1C[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181603838 1050249516 /nfs/dbraw/zinc/24/95/16/1050249516.db2.gz RBMIQDIVOQVMIQ-IBGZPJMESA-N 1 0 347.506 4.052 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC001172961511 1050259940 /nfs/dbraw/zinc/25/99/40/1050259940.db2.gz URKINIBOIFMEDC-MAUKXSAKSA-N 1 0 345.487 4.244 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](C3CCC4(CCOCC4)CC3)CC2)cc1 ZINC001173051803 1050276085 /nfs/dbraw/zinc/27/60/85/1050276085.db2.gz OXYZMBRKHBTMNW-UHFFFAOYSA-N 1 0 338.495 4.477 20 30 EIEDRO CC(C)(C)[PH+](CCCNC(=O)Cc1ccnc(C#N)c1)C(C)(C)C ZINC001177675197 1050276270 /nfs/dbraw/zinc/27/62/70/1050276270.db2.gz WGACVQBZICNQMV-UHFFFAOYSA-N 1 0 347.443 4.081 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCOc1ccccc1C(F)(F)F ZINC001177784333 1050300357 /nfs/dbraw/zinc/30/03/57/1050300357.db2.gz NBUJHQSSUVYEAE-UHFFFAOYSA-N 1 0 348.368 4.363 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001173086715 1050300591 /nfs/dbraw/zinc/30/05/91/1050300591.db2.gz LGOJFQVQMWXMMY-UKRRQHHQSA-N 1 0 326.362 4.142 20 30 EIEDRO Cc1cc(C[NH2+]CCc2ccc(F)c(Br)c2)ccc1C#N ZINC001177783877 1050300832 /nfs/dbraw/zinc/30/08/32/1050300832.db2.gz FZKIUPORLNEDAF-UHFFFAOYSA-N 1 0 347.231 4.101 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)ccc1C#N ZINC000618190730 1050303185 /nfs/dbraw/zinc/30/31/85/1050303185.db2.gz UKWNZIWWQIPIJU-UHFFFAOYSA-N 1 0 329.403 4.344 20 30 EIEDRO CCCOC1CCC([N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001173102267 1050303164 /nfs/dbraw/zinc/30/31/64/1050303164.db2.gz ISCRQKWYPCQXSJ-GRERDSQWSA-N 1 0 342.483 4.139 20 30 EIEDRO CCOC(=O)C1(C#N)CC[NH+](C2CCC3(CCCCC3)CC2)CC1 ZINC001173121029 1050317537 /nfs/dbraw/zinc/31/75/37/1050317537.db2.gz MGOCQIZVILAFGX-UHFFFAOYSA-N 1 0 332.488 4.048 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC001177893421 1050322320 /nfs/dbraw/zinc/32/23/20/1050322320.db2.gz HQTKJMWYHSVSTF-HXUWFJFHSA-N 1 0 333.479 4.246 20 30 EIEDRO CCOc1cc(CCC[NH2+][C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000181776616 1050329581 /nfs/dbraw/zinc/32/95/81/1050329581.db2.gz VKKOHWXZPNCGQL-MRXNPFEDSA-N 1 0 338.451 4.249 20 30 EIEDRO C[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1cccc(C#N)c1 ZINC000181803082 1050334773 /nfs/dbraw/zinc/33/47/73/1050334773.db2.gz RVJIDGFVKZGNJS-LLVKDONJSA-N 1 0 335.238 4.023 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](CC)Oc1ccccc1Cl ZINC001177949604 1050346451 /nfs/dbraw/zinc/34/64/51/1050346451.db2.gz SJZOOCRCCPEJEU-QGZVFWFLSA-N 1 0 343.854 4.299 20 30 EIEDRO C#CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC001173226570 1050357941 /nfs/dbraw/zinc/35/79/41/1050357941.db2.gz KKQVNLHGJZDHMQ-IIBYNOLFSA-N 1 0 334.419 4.149 20 30 EIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Oc1cccc(F)c1 ZINC000181874318 1050367245 /nfs/dbraw/zinc/36/72/45/1050367245.db2.gz FQYCJRYOFMBBDQ-QAPCUYQASA-N 1 0 342.414 4.236 20 30 EIEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[C@H](CC)C3)CC2)C1 ZINC001173275402 1050394075 /nfs/dbraw/zinc/39/40/75/1050394075.db2.gz VADQQHPRYNNOLB-ZWKOTPCHSA-N 1 0 334.504 4.066 20 30 EIEDRO Cc1c(Cl)c(C#N)ccc1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001212715698 1050394447 /nfs/dbraw/zinc/39/44/47/1050394447.db2.gz FVLXREBKPOKGAE-UHFFFAOYSA-N 1 0 340.858 4.016 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc(OCC#N)cc1 ZINC000181973616 1050401456 /nfs/dbraw/zinc/40/14/56/1050401456.db2.gz QSMNZFLNHKDAGR-MRXNPFEDSA-N 1 0 336.435 4.371 20 30 EIEDRO C=CCOC1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC001173313633 1050405641 /nfs/dbraw/zinc/40/56/41/1050405641.db2.gz CIOHXIGBKQLDLS-CBNMVNINSA-N 1 0 347.474 4.397 20 30 EIEDRO C=CCOC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001173312402 1050405717 /nfs/dbraw/zinc/40/57/17/1050405717.db2.gz YZHNZRYYQPMZLD-HWELCPFYSA-N 1 0 342.527 4.002 20 30 EIEDRO CCSC[C@H](C)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001173313240 1050406367 /nfs/dbraw/zinc/40/63/67/1050406367.db2.gz ZXOPAJWTKXXJRX-ZDUSSCGKSA-N 1 0 338.904 4.196 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001173312092 1050406463 /nfs/dbraw/zinc/40/64/63/1050406463.db2.gz ULPMCNVEXDOFTK-UHFFFAOYSA-N 1 0 331.353 4.448 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC001173313316 1050406616 /nfs/dbraw/zinc/40/66/16/1050406616.db2.gz UTWHONHXGSCCQE-UHFFFAOYSA-N 1 0 331.353 4.448 20 30 EIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001173284936 1050412841 /nfs/dbraw/zinc/41/28/41/1050412841.db2.gz LQYAIFAFRPGYDH-ROUUACIJSA-N 1 0 331.566 4.320 20 30 EIEDRO N#CCCc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001178220789 1050415206 /nfs/dbraw/zinc/41/52/06/1050415206.db2.gz WOQIPHXBWXVBIQ-OAQYLSRUSA-N 1 0 347.462 4.136 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000618561722 1050415265 /nfs/dbraw/zinc/41/52/65/1050415265.db2.gz WNXPJSSAILXBMU-GPMSIDNRSA-N 1 0 331.891 4.149 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CCC(CC#N)CC2)cc1 ZINC001173323794 1050418486 /nfs/dbraw/zinc/41/84/86/1050418486.db2.gz ALNVCSUXLPUCHJ-UHFFFAOYSA-N 1 0 328.456 4.204 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)C1 ZINC000618570455 1050418844 /nfs/dbraw/zinc/41/88/44/1050418844.db2.gz CNVXAXDAQADTHF-DYESRHJHSA-N 1 0 332.447 4.460 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(CC#N)CC2)CCN1Cc1ccccc1 ZINC001173327711 1050419632 /nfs/dbraw/zinc/41/96/32/1050419632.db2.gz HHNXGFPYLDMSLW-SDEKRAFDSA-N 1 0 325.500 4.102 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H](Cc2ccccc2)c2nccs2)CC1 ZINC001173328830 1050419930 /nfs/dbraw/zinc/41/99/30/1050419930.db2.gz PMXNJHKIJHCVBS-VJFUWPCTSA-N 1 0 325.481 4.489 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(CC#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001173330323 1050420791 /nfs/dbraw/zinc/42/07/91/1050420791.db2.gz PFLYIDZFSNJMAT-KLHKWILBSA-N 1 0 349.519 4.084 20 30 EIEDRO N#CCC1CCC([N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001173333281 1050421776 /nfs/dbraw/zinc/42/17/76/1050421776.db2.gz MYPYTNRQVLXGCT-CFBBYLOMSA-N 1 0 338.495 4.498 20 30 EIEDRO C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173332279 1050423254 /nfs/dbraw/zinc/42/32/54/1050423254.db2.gz YRVMTWBZKMPAQP-NALMEZQBSA-N 1 0 349.519 4.084 20 30 EIEDRO N#CCC1CCC([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001173332979 1050423463 /nfs/dbraw/zinc/42/34/63/1050423463.db2.gz IUMQENZJGASXBK-DRDORILISA-N 1 0 339.483 4.035 20 30 EIEDRO N#CCC1CCC([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001173334537 1050425172 /nfs/dbraw/zinc/42/51/72/1050425172.db2.gz YJGITHKFWURSKY-DRDORILISA-N 1 0 339.483 4.035 20 30 EIEDRO N#CCC1CCC([NH+]2CCC(Oc3cccc(Cl)n3)CC2)CC1 ZINC001173336892 1050425314 /nfs/dbraw/zinc/42/53/14/1050425314.db2.gz QHBYKQKWRQVFDD-UHFFFAOYSA-N 1 0 333.863 4.051 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ccc(N3CCCCCC3=O)cc2)CC1 ZINC001173334311 1050425751 /nfs/dbraw/zinc/42/57/51/1050425751.db2.gz VHPUVLPVJMBVIG-UHFFFAOYSA-N 1 0 339.483 4.156 20 30 EIEDRO COc1cccc(C(C)(C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC001178280578 1050426071 /nfs/dbraw/zinc/42/60/71/1050426071.db2.gz KGJMHYUYFCQSPB-UHFFFAOYSA-N 1 0 334.463 4.318 20 30 EIEDRO COc1cccc(O[C@H]2CCC[N@@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173339974 1050427633 /nfs/dbraw/zinc/42/76/33/1050427633.db2.gz WUGDLFXEBONMQD-UHYCVJNDSA-N 1 0 328.456 4.011 20 30 EIEDRO C[C@]1(c2ccc(Cl)cc2)C[N@@H+](C2CCC(CC#N)CC2)CCO1 ZINC001173337520 1050428275 /nfs/dbraw/zinc/42/82/75/1050428275.db2.gz MZXRJZFYOHCCJM-XUJQIHCRSA-N 1 0 332.875 4.360 20 30 EIEDRO COc1ccc(C2(C[NH2+]Cc3c(C)cc(C#N)cc3C)CCC2)cc1 ZINC001178290293 1050429519 /nfs/dbraw/zinc/42/95/19/1050429519.db2.gz AXZXDVFGAWCRMM-UHFFFAOYSA-N 1 0 334.463 4.395 20 30 EIEDRO N#CCC1CCC([N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC001173341116 1050430702 /nfs/dbraw/zinc/43/07/02/1050430702.db2.gz PXQBPSCUSLFXTR-UHFFFAOYSA-N 1 0 337.511 4.057 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC001173320319 1050440966 /nfs/dbraw/zinc/44/09/66/1050440966.db2.gz LPMIUAOLOCKRRF-UHFFFAOYSA-N 1 0 347.474 4.321 20 30 EIEDRO C=CCOC1CCC([NH2+]CC2(Cc3ccccc3OC)CC2)CC1 ZINC001173318786 1050441076 /nfs/dbraw/zinc/44/10/76/1050441076.db2.gz LYQHPCZNFYUOJI-UHFFFAOYSA-N 1 0 329.484 4.121 20 30 EIEDRO C=CCOC1CCC([NH2+]C2(Cc3ccc(OC)cc3)CCC2)CC1 ZINC001173317648 1050441277 /nfs/dbraw/zinc/44/12/77/1050441277.db2.gz MKNGOURWKXFBQT-UHFFFAOYSA-N 1 0 329.484 4.264 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(Oc3ccc(C)cc3)CC2)CC1 ZINC001173320441 1050441737 /nfs/dbraw/zinc/44/17/37/1050441737.db2.gz NOBQWGSWDAGPSI-UHFFFAOYSA-N 1 0 329.484 4.352 20 30 EIEDRO C=C(C)CNC(=O)C[C@H]1C[N@H+](C(c2ccccc2)c2ccccc2)[C@H]1C ZINC001186946130 1050450939 /nfs/dbraw/zinc/45/09/39/1050450939.db2.gz BVAMIDGAACYVFS-RXVVDRJESA-N 1 0 348.490 4.179 20 30 EIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@H]1OC ZINC001178360659 1050453984 /nfs/dbraw/zinc/45/39/84/1050453984.db2.gz OIZAQEJIXQHWGI-ATZDWAIDSA-N 1 0 328.500 4.417 20 30 EIEDRO CCCCCCCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173423886 1050455095 /nfs/dbraw/zinc/45/50/95/1050455095.db2.gz QEACVOQZEAXDDA-UHFFFAOYSA-N 1 0 341.499 4.113 20 30 EIEDRO C#Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)cc1 ZINC001178425753 1050468391 /nfs/dbraw/zinc/46/83/91/1050468391.db2.gz GVBYTXWCDOYEJO-HSZRJFAPSA-N 1 0 327.427 4.158 20 30 EIEDRO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]Cc1ccc(C#N)nc1 ZINC001173547797 1050483471 /nfs/dbraw/zinc/48/34/71/1050483471.db2.gz TZLBVIPZZQYCOK-GFCCVEGCSA-N 1 0 334.250 4.371 20 30 EIEDRO CC1(C#N)CCC(n2c3cc(Cl)ccc3nc2CCC[NH3+])CC1 ZINC001173588988 1050494481 /nfs/dbraw/zinc/49/44/81/1050494481.db2.gz QDWFOQBVGSAXRU-UHFFFAOYSA-N 1 0 330.863 4.226 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2ccc(OCc3ccccn3)cc2)CC1 ZINC001173591147 1050495633 /nfs/dbraw/zinc/49/56/33/1050495633.db2.gz UNOYBXKJQABPFD-UHFFFAOYSA-N 1 0 349.478 4.265 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)CC1 ZINC001173595247 1050496304 /nfs/dbraw/zinc/49/63/04/1050496304.db2.gz VLSDPLOOOLTRLT-QNGMFEMESA-N 1 0 338.495 4.498 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)CC1 ZINC001173594247 1050496415 /nfs/dbraw/zinc/49/64/15/1050496415.db2.gz WWNVGIPPZOGCQI-UHFFFAOYSA-N 1 0 340.442 4.218 20 30 EIEDRO CC1(C#N)CCC(n2c3ccc(F)cc3c3c2C[C@@H]([NH3+])CC3)CC1 ZINC001173591864 1050497242 /nfs/dbraw/zinc/49/72/42/1050497242.db2.gz VFIZVWLDMBMYKA-BQTBQCLESA-N 1 0 325.431 4.241 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001173595744 1050497256 /nfs/dbraw/zinc/49/72/56/1050497256.db2.gz VHZQZKITQWLYIU-XBCQCDMNSA-N 1 0 338.495 4.498 20 30 EIEDRO COc1ccc([C@H]2CSCC[N@@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173599135 1050499258 /nfs/dbraw/zinc/49/92/58/1050499258.db2.gz GBNFWEXIUCUZIC-CUYAVPTFSA-N 1 0 330.497 4.258 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCN(Cc3ccc4ccccc4c3)CC2)CC1 ZINC001173598382 1050500545 /nfs/dbraw/zinc/50/05/45/1050500545.db2.gz QDASXINZKVVVIU-UHFFFAOYSA-N 1 0 347.506 4.430 20 30 EIEDRO C[C@@H]1CC([N@H+](CCC#N)C2CCCC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173682561 1050531275 /nfs/dbraw/zinc/53/12/75/1050531275.db2.gz CNZZDJSBLAVEHJ-HZPDHXFCSA-N 1 0 349.519 4.321 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618807451 1050535244 /nfs/dbraw/zinc/53/52/44/1050535244.db2.gz ZKTRIEFESNYPOE-KUHUBIRLSA-N 1 0 336.435 4.222 20 30 EIEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618806024 1050535337 /nfs/dbraw/zinc/53/53/37/1050535337.db2.gz MSGVCBVLBGPBBU-AUUYWEPGSA-N 1 0 330.435 4.033 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cccc(OC(F)F)c1 ZINC000618807410 1050536311 /nfs/dbraw/zinc/53/63/11/1050536311.db2.gz UKFLKAJIVAXACH-KPZWWZAWSA-N 1 0 328.362 4.498 20 30 EIEDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618806031 1050536336 /nfs/dbraw/zinc/53/63/36/1050536336.db2.gz MSGVCBVLBGPBBU-IFXJQAMLSA-N 1 0 330.435 4.033 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618807449 1050536728 /nfs/dbraw/zinc/53/67/28/1050536728.db2.gz ZKTRIEFESNYPOE-AUUYWEPGSA-N 1 0 336.435 4.222 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)cc1 ZINC001178758656 1050546475 /nfs/dbraw/zinc/54/64/75/1050546475.db2.gz DAIGGNPUCQTKSO-UHFFFAOYSA-N 1 0 328.415 4.453 20 30 EIEDRO CN(Cc1ccc(N(C)CCC#N)cc1)Cc1cc(Cl)ccc1F ZINC000775121471 1050550497 /nfs/dbraw/zinc/55/04/97/1050550497.db2.gz IBZBRVFVNPGSOL-UHFFFAOYSA-N 1 0 345.849 4.461 20 30 EIEDRO C[C@H](C#N)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001178730116 1050551728 /nfs/dbraw/zinc/55/17/28/1050551728.db2.gz NCHXFIIACRBHIQ-CBGDNZLLSA-N 1 0 347.462 4.020 20 30 EIEDRO C#Cc1cccc(C[NH2+]Cc2c(C)ccc(Br)c2F)c1 ZINC001178950291 1050593425 /nfs/dbraw/zinc/59/34/25/1050593425.db2.gz MBISSLYXTLKUIY-UHFFFAOYSA-N 1 0 332.216 4.168 20 30 EIEDRO C=CCOc1cccc(C[NH2+]CC(CC)(CC)C(=O)OC(C)(C)C)c1 ZINC001178991756 1050605602 /nfs/dbraw/zinc/60/56/02/1050605602.db2.gz HDGYYLRCAVMXLI-UHFFFAOYSA-N 1 0 347.499 4.489 20 30 EIEDRO C=CCCSCC[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC001179100849 1050624508 /nfs/dbraw/zinc/62/45/08/1050624508.db2.gz OTFUNIJKCRBLMT-UHFFFAOYSA-N 1 0 327.497 4.248 20 30 EIEDRO C=CCC1([NH2+]Cc2cnc3c(C)cc(Br)cn23)CCCC1 ZINC001179159112 1050644752 /nfs/dbraw/zinc/64/47/52/1050644752.db2.gz IULHNZPXMFNAKU-UHFFFAOYSA-N 1 0 348.288 4.384 20 30 EIEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001179232540 1050655442 /nfs/dbraw/zinc/65/54/42/1050655442.db2.gz FOFRVLSDVTXWPQ-UHFFFAOYSA-N 1 0 347.890 4.450 20 30 EIEDRO Cc1cc2c(CC[NH2+]Cc3c(C)cc(C#N)cc3C)c[nH]c2cc1F ZINC001179274032 1050669656 /nfs/dbraw/zinc/66/96/56/1050669656.db2.gz JWQYIQNRHAIGMP-UHFFFAOYSA-N 1 0 335.426 4.436 20 30 EIEDRO CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC#N ZINC001273552197 1050670035 /nfs/dbraw/zinc/67/00/35/1050670035.db2.gz SDKPFKXVNPNYDE-MVCQKVDPSA-N 1 0 333.520 4.008 20 30 EIEDRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3Cc4ccc(C#N)cc4C3)s2)cc1 ZINC001179418722 1050695648 /nfs/dbraw/zinc/69/56/48/1050695648.db2.gz AUDYMUFZNBNNHW-LJQANCHMSA-N 1 0 345.471 4.247 20 30 EIEDRO C=CCCC[C@H]([NH2+]Cc1cc(C(=O)OC)c(C)n1C)c1ccccc1 ZINC001179457698 1050702134 /nfs/dbraw/zinc/70/21/34/1050702134.db2.gz JPSGDDCTSMNPIE-FQEVSTJZSA-N 1 0 340.467 4.307 20 30 EIEDRO C=CC(C)(C)CCC[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001179515465 1050706922 /nfs/dbraw/zinc/70/69/22/1050706922.db2.gz ABLLTGVLNYKPGF-UHFFFAOYSA-N 1 0 329.410 4.320 20 30 EIEDRO C#CCC1([NH2+]Cc2cc(OC)c(OC)cc2SC)CCCCC1 ZINC001179661828 1050744955 /nfs/dbraw/zinc/74/49/55/1050744955.db2.gz BGSPKBLOYGVVBQ-UHFFFAOYSA-N 1 0 333.497 4.242 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC001179636716 1050746507 /nfs/dbraw/zinc/74/65/07/1050746507.db2.gz KPVUTTMGQZSHKW-KRWDZBQOSA-N 1 0 336.479 4.499 20 30 EIEDRO C#CCC1([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCCCC1 ZINC001179662955 1050754359 /nfs/dbraw/zinc/75/43/59/1050754359.db2.gz ZQHGCNBLUWPSRF-FQEVSTJZSA-N 1 0 327.468 4.060 20 30 EIEDRO C#CCC1([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCCCC1 ZINC001179662956 1050754743 /nfs/dbraw/zinc/75/47/43/1050754743.db2.gz ZQHGCNBLUWPSRF-HXUWFJFHSA-N 1 0 327.468 4.060 20 30 EIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000619427325 1050785922 /nfs/dbraw/zinc/78/59/22/1050785922.db2.gz HDYSCEUBPCFUBH-OWCLPIDISA-N 1 0 338.451 4.418 20 30 EIEDRO COc1nc(C)cc(C)c1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508317 1050794208 /nfs/dbraw/zinc/79/42/08/1050794208.db2.gz XDDDNOSIMACETI-FQEVSTJZSA-N 1 0 335.451 4.136 20 30 EIEDRO COc1ccc(C([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccc(OC)cc2)cc1 ZINC000619672384 1050850618 /nfs/dbraw/zinc/85/06/18/1050850618.db2.gz NPVNQARBWAUHIJ-MAUKXSAKSA-N 1 0 336.435 4.075 20 30 EIEDRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)ccc1C#N ZINC000619674362 1050851721 /nfs/dbraw/zinc/85/17/21/1050851721.db2.gz OCUODWKNVJUURB-LJQANCHMSA-N 1 0 345.446 4.428 20 30 EIEDRO CCC[N@H+](Cc1cc(C#N)ccc1N(C)C)[C@@H]1CCc2ccccc2C1 ZINC001180039009 1050862734 /nfs/dbraw/zinc/86/27/34/1050862734.db2.gz HWUQNRYMKXGDBQ-JOCHJYFZSA-N 1 0 347.506 4.394 20 30 EIEDRO CCC[N@H+](Cc1cc(C#N)ccc1N(C)C)[C@H]1CCc2ccccc2C1 ZINC001180039010 1050862914 /nfs/dbraw/zinc/86/29/14/1050862914.db2.gz HWUQNRYMKXGDBQ-QFIPXVFZSA-N 1 0 347.506 4.394 20 30 EIEDRO CCC(CC)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000775209482 1050867871 /nfs/dbraw/zinc/86/78/71/1050867871.db2.gz BIAOBFPKYOAYQX-MJGOQNOKSA-N 1 0 328.481 4.420 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000619755690 1050882861 /nfs/dbraw/zinc/88/28/61/1050882861.db2.gz PJOASWORQWTORA-QGZVFWFLSA-N 1 0 342.826 4.224 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000619754887 1050885934 /nfs/dbraw/zinc/88/59/34/1050885934.db2.gz NXJWHUAXHUJJLN-CQSZACIVSA-N 1 0 336.826 4.248 20 30 EIEDRO CCOc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182926030 1050888773 /nfs/dbraw/zinc/88/87/73/1050888773.db2.gz DAOIELJCONELEW-UHFFFAOYSA-N 1 0 335.451 4.033 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)COc2cccc(C)c2)cc1OC ZINC000619766590 1050890884 /nfs/dbraw/zinc/89/08/84/1050890884.db2.gz ASVIFTJQJUIAFM-QGZVFWFLSA-N 1 0 341.451 4.126 20 30 EIEDRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619748768 1050894796 /nfs/dbraw/zinc/89/47/96/1050894796.db2.gz NYWCQAHULCXUNN-UHFFFAOYSA-N 1 0 348.874 4.202 20 30 EIEDRO COc1cc(F)cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC001180153059 1050902876 /nfs/dbraw/zinc/90/28/76/1050902876.db2.gz DMXFRIMMPZRTPR-UHFFFAOYSA-N 1 0 326.415 4.364 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 ZINC000183039147 1050945776 /nfs/dbraw/zinc/94/57/76/1050945776.db2.gz ZZZVRVYAXMTNQR-KDOFPFPSSA-N 1 0 325.843 4.141 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N(CC)CC[NH+]2CCCC2)c1 ZINC001189263556 1050950554 /nfs/dbraw/zinc/95/05/54/1050950554.db2.gz IUBJJAXEQBWRNP-UHFFFAOYSA-N 1 0 343.515 4.082 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001189264022 1050951299 /nfs/dbraw/zinc/95/12/99/1050951299.db2.gz PRSKUYATPXVXAJ-UHFFFAOYSA-N 1 0 343.515 4.081 20 30 EIEDRO CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000198432419 1050980127 /nfs/dbraw/zinc/98/01/27/1050980127.db2.gz DSMCSTVWUMPJAB-AWEZNQCLSA-N 1 0 345.493 4.019 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](C(=C)C)c2ccc(F)c(F)c2)cc1 ZINC000775319359 1051059414 /nfs/dbraw/zinc/05/94/14/1051059414.db2.gz SVUGUGSZLVCPHQ-FQEVSTJZSA-N 1 0 327.374 4.384 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)Cc1ccno1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001180812348 1051089650 /nfs/dbraw/zinc/08/96/50/1051089650.db2.gz ZCIFUXKQJSOKMN-JKSUJKDBSA-N 1 0 331.419 4.495 20 30 EIEDRO C=CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)C(C)(C)C ZINC001174643034 1051097994 /nfs/dbraw/zinc/09/79/94/1051097994.db2.gz ZQWXUDSEDCZCIK-FQEVSTJZSA-N 1 0 328.500 4.321 20 30 EIEDRO CCCCCCC[C@@H](C)C(=O)N(c1cccc(C)n1)C1CC[NH2+]CC1 ZINC001181121884 1051158594 /nfs/dbraw/zinc/15/85/94/1051158594.db2.gz RFIIBBODFWDJKI-QGZVFWFLSA-N 1 0 345.531 4.472 20 30 EIEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC001181163606 1051183608 /nfs/dbraw/zinc/18/36/08/1051183608.db2.gz SCZVOWPSQVRCOQ-DLBZAZTESA-N 1 0 332.875 4.428 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1c[nH]c(=O)c2ccccc12 ZINC001190456510 1051190199 /nfs/dbraw/zinc/19/01/99/1051190199.db2.gz AASXKWNNGUPAMV-UHFFFAOYSA-N 1 0 334.419 4.137 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001181264843 1051193860 /nfs/dbraw/zinc/19/38/60/1051193860.db2.gz ARXHHLMBVMVEAK-NSHDSACASA-N 1 0 325.243 4.018 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001181284756 1051196683 /nfs/dbraw/zinc/19/66/83/1051196683.db2.gz DOCPDQMUSIHCIU-NXHRZFHOSA-N 1 0 336.520 4.404 20 30 EIEDRO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC001181324611 1051206587 /nfs/dbraw/zinc/20/65/87/1051206587.db2.gz SRBLSUHUMZXSFW-NRFANRHFSA-N 1 0 342.483 4.186 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000775397710 1051216819 /nfs/dbraw/zinc/21/68/19/1051216819.db2.gz AFWIWFHCOWVEMZ-KRWDZBQOSA-N 1 0 333.353 4.482 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001174891792 1051231690 /nfs/dbraw/zinc/23/16/90/1051231690.db2.gz WNTHQHQINBFTLM-LLVKDONJSA-N 1 0 346.780 4.195 20 30 EIEDRO C#CC[C@H]([NH2+]CCCc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000775399771 1051234719 /nfs/dbraw/zinc/23/47/19/1051234719.db2.gz UJGJDXCFZUVBMZ-IBGZPJMESA-N 1 0 331.419 4.023 20 30 EIEDRO N#CC1(C[C@H](O)C[N@H+]2CC=C(c3cccc4ccccc43)CC2)CCC1 ZINC001190627768 1051237441 /nfs/dbraw/zinc/23/74/41/1051237441.db2.gz NDCIAMZCHNVPIK-FQEVSTJZSA-N 1 0 346.474 4.374 20 30 EIEDRO C#CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775401428 1051237499 /nfs/dbraw/zinc/23/74/99/1051237499.db2.gz UFJZJCSXIAXXQQ-QZTJIDSGSA-N 1 0 333.353 4.093 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 ZINC000775402685 1051242360 /nfs/dbraw/zinc/24/23/60/1051242360.db2.gz BPUVOCQPAOLURH-IBGZPJMESA-N 1 0 334.463 4.277 20 30 EIEDRO C=C(C[NH2+]Cc1ccc(OCc2ccncc2)cc1)c1ccccc1 ZINC000620756677 1051272845 /nfs/dbraw/zinc/27/28/45/1051272845.db2.gz LYJGNLKSJLIKBI-UHFFFAOYSA-N 1 0 330.431 4.464 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC001190828522 1051286500 /nfs/dbraw/zinc/28/65/00/1051286500.db2.gz WCQWWARWFMEJEO-QGZVFWFLSA-N 1 0 345.918 4.300 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775423848 1051311389 /nfs/dbraw/zinc/31/13/89/1051311389.db2.gz RNHKMVABGPRMFS-BLLLJJGKSA-N 1 0 327.440 4.153 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C)c2C)c(C#N)c1C ZINC000183734550 1051323402 /nfs/dbraw/zinc/32/34/02/1051323402.db2.gz OAOVLLWCAJCUHJ-HUUCEWRRSA-N 1 0 339.439 4.063 20 30 EIEDRO CCCCCCCCNC(=O)N[C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001191081103 1051345928 /nfs/dbraw/zinc/34/59/28/1051345928.db2.gz FBCISXCDHRCHMH-HDICACEKSA-N 1 0 325.541 4.299 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1 ZINC001181919382 1051352964 /nfs/dbraw/zinc/35/29/64/1051352964.db2.gz CKTWJOBKSMTGTH-SFTDATJTSA-N 1 0 335.447 4.034 20 30 EIEDRO CCCCCCCNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001191115294 1051356621 /nfs/dbraw/zinc/35/66/21/1051356621.db2.gz FACSZBNQHKKEHU-UHFFFAOYSA-N 1 0 349.494 4.060 20 30 EIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)Nc1cccc(C#N)c1 ZINC001191194530 1051380557 /nfs/dbraw/zinc/38/05/57/1051380557.db2.gz UJPWZTMKGNAMLM-NRFANRHFSA-N 1 0 349.478 4.148 20 30 EIEDRO Cc1cccc([C@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)c1C ZINC001191214563 1051388863 /nfs/dbraw/zinc/38/88/63/1051388863.db2.gz PVPQSTSYDXOYHU-FGZHOGPDSA-N 1 0 334.463 4.436 20 30 EIEDRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC001191181007 1051390664 /nfs/dbraw/zinc/39/06/64/1051390664.db2.gz CKYVNBQTBJIJFZ-YHYVQYDKSA-N 1 0 334.463 4.373 20 30 EIEDRO CCC[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001191259455 1051398441 /nfs/dbraw/zinc/39/84/41/1051398441.db2.gz WIHAKCNYDBLSGW-IBGZPJMESA-N 1 0 347.890 4.442 20 30 EIEDRO COCC#CC[N@H+](C)[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001191443549 1051460378 /nfs/dbraw/zinc/46/03/78/1051460378.db2.gz BXXQFBUXFBXFRR-LJQANCHMSA-N 1 0 331.818 4.150 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000774148823 1051481829 /nfs/dbraw/zinc/48/18/29/1051481829.db2.gz CUQQZZVGDROZHL-OAQYLSRUSA-N 1 0 347.462 4.035 20 30 EIEDRO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001191774814 1051532743 /nfs/dbraw/zinc/53/27/43/1051532743.db2.gz ZVBHYYSEPXKHEU-JPYJTQIMSA-N 1 0 345.490 4.119 20 30 EIEDRO COc1cc(C#N)c(F)cc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175364221 1051554642 /nfs/dbraw/zinc/55/46/42/1051554642.db2.gz YURHDIXJQVUEFR-UHFFFAOYSA-N 1 0 339.414 4.435 20 30 EIEDRO CC[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000774355959 1051575137 /nfs/dbraw/zinc/57/51/37/1051575137.db2.gz GPJIRPZYMKPQLO-ORFBVSJDSA-N 1 0 334.463 4.429 20 30 EIEDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)n1 ZINC001192040605 1051619324 /nfs/dbraw/zinc/61/93/24/1051619324.db2.gz AMSNCQWGVRINBM-GOSISDBHSA-N 1 0 326.488 4.131 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506734 1051647110 /nfs/dbraw/zinc/64/71/10/1051647110.db2.gz CWVYNSWTLUIHTB-NYVOZVTQSA-N 1 0 335.495 4.199 20 30 EIEDRO C[C@@H](C(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1 ZINC001182793077 1051697565 /nfs/dbraw/zinc/69/75/65/1051697565.db2.gz JWYYWHHSKKEHEV-MRXNPFEDSA-N 1 0 347.462 4.110 20 30 EIEDRO C[N@@H+](Cc1ccc(F)c2ccccc12)C[C@@H](O)c1cccc(C#N)c1 ZINC001182765838 1051704805 /nfs/dbraw/zinc/70/48/05/1051704805.db2.gz XCBWEWACMXJVMD-OAQYLSRUSA-N 1 0 334.394 4.016 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001182806630 1051715642 /nfs/dbraw/zinc/71/56/42/1051715642.db2.gz WLFIRKQFSPVWKE-MRXNPFEDSA-N 1 0 329.875 4.373 20 30 EIEDRO C#CCC1(O)CC[NH+]([C@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC001175668966 1051721710 /nfs/dbraw/zinc/72/17/10/1051721710.db2.gz JIGLVESCOZBHRH-GOSISDBHSA-N 1 0 335.447 4.390 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001175669964 1051724171 /nfs/dbraw/zinc/72/41/71/1051724171.db2.gz WQLDJGUXCUOSOY-HXUWFJFHSA-N 1 0 345.490 4.472 20 30 EIEDRO C=CCC1([NH2+]Cc2cc(Br)c(OC)s2)CCCC1 ZINC001182902846 1051739898 /nfs/dbraw/zinc/73/98/98/1051739898.db2.gz SRMMMMFHFWRSRS-UHFFFAOYSA-N 1 0 330.291 4.498 20 30 EIEDRO COc1ccc([C@H]([NH2+]CC#Cc2cccc(Cl)c2)C2CC2)cc1 ZINC001192585667 1051770873 /nfs/dbraw/zinc/77/08/73/1051770873.db2.gz ZDJMJBZWHSUIBD-HXUWFJFHSA-N 1 0 325.839 4.441 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3c(Cl)cccc3C#N)cc2)CC1 ZINC001175780371 1051780854 /nfs/dbraw/zinc/78/08/54/1051780854.db2.gz FADWMPBYQRAGJC-UHFFFAOYSA-N 1 0 340.858 4.097 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3sc(C)c(C)c3C#N)cc2)CC1 ZINC001175779656 1051782412 /nfs/dbraw/zinc/78/24/12/1051782412.db2.gz NTWUTRNCMWBWPW-UHFFFAOYSA-N 1 0 340.496 4.122 20 30 EIEDRO C[C@H]([NH2+]CCCSCC#N)c1cc(Cl)ccc1OC(F)F ZINC001192627707 1051783353 /nfs/dbraw/zinc/78/33/53/1051783353.db2.gz ZYWIORZEWFBVCM-JTQLQIEISA-N 1 0 334.819 4.239 20 30 EIEDRO C=CCC[C@H]([NH2+]C/C=C/C(=O)OCC)c1ccc(C(F)(F)F)cc1 ZINC001192635732 1051786214 /nfs/dbraw/zinc/78/62/14/1051786214.db2.gz QLZGBVSMWKNISR-BVBGJJFLSA-N 1 0 341.373 4.422 20 30 EIEDRO C=CCC[C@H]([NH2+]CCS(=O)(=O)C1CCCCC1)c1ccccc1 ZINC001192720032 1051805281 /nfs/dbraw/zinc/80/52/81/1051805281.db2.gz RQTDWMAQWPCLHA-IBGZPJMESA-N 1 0 335.513 4.031 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(C(F)(F)F)cc1 ZINC000775553484 1051825433 /nfs/dbraw/zinc/82/54/33/1051825433.db2.gz OZTZVUKDFXXYEH-GOEBONIOSA-N 1 0 341.373 4.256 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001192954061 1051837239 /nfs/dbraw/zinc/83/72/39/1051837239.db2.gz XVSCCWVXKDHMLO-AOCRQIFASA-N 1 0 325.541 4.155 20 30 EIEDRO CC[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001183378861 1051840606 /nfs/dbraw/zinc/84/06/06/1051840606.db2.gz GUVGWUAZTQKXQY-SJORKVTESA-N 1 0 329.463 4.036 20 30 EIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001183453219 1051846468 /nfs/dbraw/zinc/84/64/68/1051846468.db2.gz ARHSPYXBELPEDO-SCLBCKFNSA-N 1 0 344.380 4.265 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3ccc(Br)cc3c2)C1 ZINC001183561819 1051862841 /nfs/dbraw/zinc/86/28/41/1051862841.db2.gz VSSGCRQAMPMJJK-SJKOYZFVSA-N 1 0 329.241 4.384 20 30 EIEDRO C#CCC[C@@H](O)C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC001183606726 1051866138 /nfs/dbraw/zinc/86/61/38/1051866138.db2.gz MUKHDDPWHPBIPX-IUPXNIOVSA-N 1 0 339.401 4.096 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C)[C@@H]1CCCO1 ZINC000775571236 1051872888 /nfs/dbraw/zinc/87/28/88/1051872888.db2.gz DCPQFTJDUMYDQD-DQYPLSBCSA-N 1 0 344.455 4.089 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001183597772 1051873389 /nfs/dbraw/zinc/87/33/89/1051873389.db2.gz SLXLBXOMXRAGBV-ROUUACIJSA-N 1 0 343.515 4.338 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](Cc3c(Cl)n[nH]c3C3CC3)CC2)cc1 ZINC001184045008 1051943962 /nfs/dbraw/zinc/94/39/62/1051943962.db2.gz HIXXMWSIIAKWIP-UHFFFAOYSA-N 1 0 340.858 4.192 20 30 EIEDRO C[NH+](C)CCCCC(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001184054284 1051945843 /nfs/dbraw/zinc/94/58/43/1051945843.db2.gz ULOMNWGFQUNKOG-UHFFFAOYSA-N 1 0 345.443 4.096 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C)(C(C)C)CC1 ZINC001193616124 1051954607 /nfs/dbraw/zinc/95/46/07/1051954607.db2.gz JAOMHDACHJBKLU-KRWDZBQOSA-N 1 0 348.556 4.409 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCc3cccc4cccc2c43)cc1 ZINC001176334814 1051994102 /nfs/dbraw/zinc/99/41/02/1051994102.db2.gz LASLWIQTZCINKF-NHCUHLMSSA-N 1 0 328.415 4.022 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001184349454 1051997499 /nfs/dbraw/zinc/99/74/99/1051997499.db2.gz AFTDYBYQIYUYEH-OAQYLSRUSA-N 1 0 334.463 4.451 20 30 EIEDRO C#CC[N@@H+](CCC(=O)Nc1ccccc1)[C@H]1CCCc2ccccc21 ZINC001176452429 1052076538 /nfs/dbraw/zinc/07/65/38/1052076538.db2.gz KQMKERPMQLETBE-NRFANRHFSA-N 1 0 332.447 4.028 20 30 EIEDRO CC(C)([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001194306045 1052123471 /nfs/dbraw/zinc/12/34/71/1052123471.db2.gz DLFAXDGVDDRFJX-UHFFFAOYSA-N 1 0 341.842 4.065 20 30 EIEDRO Cc1nsc(NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1C#N ZINC001184981471 1052138296 /nfs/dbraw/zinc/13/82/96/1052138296.db2.gz AQVXDEVTKPSLBN-SFHVURJKSA-N 1 0 340.496 4.208 20 30 EIEDRO CC(C)C[C@]1(C)CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001194533578 1052163839 /nfs/dbraw/zinc/16/38/39/1052163839.db2.gz DVTASRRKDCGVEV-SFHVURJKSA-N 1 0 333.863 4.051 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cnc3ccccc3c2)ccc1OC ZINC000622267277 1052169260 /nfs/dbraw/zinc/16/92/60/1052169260.db2.gz XNLGEBPUMRMACN-UHFFFAOYSA-N 1 0 348.446 4.488 20 30 EIEDRO C=CCCCC[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001176718268 1052189557 /nfs/dbraw/zinc/18/95/57/1052189557.db2.gz KTSMRSHAFBNPCF-KRWDZBQOSA-N 1 0 338.289 4.089 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[NH2+]C2(C3CCCCC3)CC2)cc1Cl ZINC001176842812 1052197225 /nfs/dbraw/zinc/19/72/25/1052197225.db2.gz XYXSJJOVCSZYEU-UHFFFAOYSA-N 1 0 345.874 4.243 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](C4CCCC4)C3)o2)c1 ZINC001176939503 1052208082 /nfs/dbraw/zinc/20/80/82/1052208082.db2.gz KCGKRHNAOBDSLX-SFHVURJKSA-N 1 0 336.439 4.010 20 30 EIEDRO CCCC[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C1CCC1 ZINC000184883260 1052272555 /nfs/dbraw/zinc/27/25/55/1052272555.db2.gz LDKXKAXDZMCRRW-GUYCJALGSA-N 1 0 331.460 4.044 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000774914755 1052284116 /nfs/dbraw/zinc/28/41/16/1052284116.db2.gz RHVSBPFBHRZENJ-MSOLQXFVSA-N 1 0 326.465 4.016 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000774914761 1052284700 /nfs/dbraw/zinc/28/47/00/1052284700.db2.gz RHVSBPFBHRZENJ-QZTJIDSGSA-N 1 0 326.465 4.016 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000172349846 1052493345 /nfs/dbraw/zinc/49/33/45/1052493345.db2.gz ZEWBYHQDKGOCCI-QGZVFWFLSA-N 1 0 328.500 4.070 20 30 EIEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072605861 1052497143 /nfs/dbraw/zinc/49/71/43/1052497143.db2.gz WRVLDFFKJOZINI-IRXDYDNUSA-N 1 0 338.455 4.303 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H](C)C1CCCCC1 ZINC000185512611 1052620445 /nfs/dbraw/zinc/62/04/45/1052620445.db2.gz HXQGMFQJBIIUHJ-ZIAGYGMSSA-N 1 0 333.501 4.143 20 30 EIEDRO CCC[N@H+](CCc1cccs1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000185587104 1052651552 /nfs/dbraw/zinc/65/15/52/1052651552.db2.gz MORBYIQDWAPLLV-MRXNPFEDSA-N 1 0 328.481 4.494 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)Cc2ccncc2)cc1OC ZINC000623440995 1052656545 /nfs/dbraw/zinc/65/65/45/1052656545.db2.gz WYYLOPXMECOJGC-CQSZACIVSA-N 1 0 346.858 4.029 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N(CCC#N)CCC(C)C)cc1)C(C)C ZINC000349427629 1052717963 /nfs/dbraw/zinc/71/79/63/1052717963.db2.gz BBCOKWQEJZTATH-UHFFFAOYSA-N 1 0 343.515 4.319 20 30 EIEDRO C=CCCC[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623974264 1052845956 /nfs/dbraw/zinc/84/59/56/1052845956.db2.gz AJFQPFZOBZDACH-INIZCTEOSA-N 1 0 344.480 4.104 20 30 EIEDRO Cc1nc(C)c([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000181213490 1052878610 /nfs/dbraw/zinc/87/86/10/1052878610.db2.gz PIPVCUSHXBGVRM-LLVKDONJSA-N 1 0 338.398 4.481 20 30 EIEDRO CC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1c(C)noc1C ZINC000182408116 1052929990 /nfs/dbraw/zinc/92/99/90/1052929990.db2.gz LAHHNWWHZFQNJO-MRXNPFEDSA-N 1 0 336.357 4.403 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000182883898 1052954047 /nfs/dbraw/zinc/95/40/47/1052954047.db2.gz YSPZBAVEPKWXLC-UHFFFAOYSA-N 1 0 347.462 4.336 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000083476633 1052966052 /nfs/dbraw/zinc/96/60/52/1052966052.db2.gz LGNPPGFVHPXLIK-UHFFFAOYSA-N 1 0 327.497 4.348 20 30 EIEDRO Cc1csc([C@@H](C)C[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000184116838 1052992596 /nfs/dbraw/zinc/99/25/96/1052992596.db2.gz HNFBABNWYXWNCW-AWEZNQCLSA-N 1 0 329.469 4.027 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(F)cc1F ZINC000119595503 1053068373 /nfs/dbraw/zinc/06/83/73/1053068373.db2.gz LUWOMZUCOJHEES-DJJJIMSYSA-N 1 0 330.378 4.497 20 30 EIEDRO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000775610060 1053089590 /nfs/dbraw/zinc/08/95/90/1053089590.db2.gz LBMDEYRYLDALBZ-LJQANCHMSA-N 1 0 328.843 4.076 20 30 EIEDRO CC(C)(C)OC(=O)NCC1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000850391412 1053165381 /nfs/dbraw/zinc/16/53/81/1053165381.db2.gz PMNBVXKTKAUTQI-UHFFFAOYSA-N 1 0 349.519 4.134 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850413107 1053188345 /nfs/dbraw/zinc/18/83/45/1053188345.db2.gz NAPXWYCTODYBNW-OALUTQOASA-N 1 0 328.843 4.059 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000850429411 1053206425 /nfs/dbraw/zinc/20/64/25/1053206425.db2.gz PWXYLNYIOLGARU-AZUAARDMSA-N 1 0 326.484 4.147 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc3cnccc3o2)c1 ZINC000850442164 1053217107 /nfs/dbraw/zinc/21/71/07/1053217107.db2.gz BPAFRSGIENKJKY-RHSMWYFYSA-N 1 0 335.407 4.360 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)ccc1OC ZINC000850444838 1053219816 /nfs/dbraw/zinc/21/98/16/1053219816.db2.gz ZOVLUWVXGSWXHY-WWNBULGVSA-N 1 0 342.483 4.290 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2Cl)nc1 ZINC000850463764 1053240262 /nfs/dbraw/zinc/24/02/62/1053240262.db2.gz YAVXLXGTMSKTFE-MJGOQNOKSA-N 1 0 325.843 4.423 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2Cl)nc1 ZINC000850463763 1053240689 /nfs/dbraw/zinc/24/06/89/1053240689.db2.gz YAVXLXGTMSKTFE-IEBWSBKVSA-N 1 0 325.843 4.423 20 30 EIEDRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cn1 ZINC000850463729 1053241542 /nfs/dbraw/zinc/24/15/42/1053241542.db2.gz XFACXDOPWOLDSL-MRXNPFEDSA-N 1 0 333.357 4.083 20 30 EIEDRO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000764679839 1053266728 /nfs/dbraw/zinc/26/67/28/1053266728.db2.gz XCTGGTVQLLKRET-ICSRJNTNSA-N 1 0 349.478 4.078 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000850527035 1053288670 /nfs/dbraw/zinc/28/86/70/1053288670.db2.gz FCGMYXHQIUAVBF-IXRUWLOTSA-N 1 0 332.447 4.159 20 30 EIEDRO C#CCOc1ccc([C@@H](C)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000764746713 1053289327 /nfs/dbraw/zinc/28/93/27/1053289327.db2.gz QNXWWWLTYOZUAP-XXBNENTESA-N 1 0 348.490 4.186 20 30 EIEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000383104429 1053293529 /nfs/dbraw/zinc/29/35/29/1053293529.db2.gz FVHLBNNLQLCURK-LJQANCHMSA-N 1 0 327.516 4.303 20 30 EIEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173550176 1053358950 /nfs/dbraw/zinc/35/89/50/1053358950.db2.gz SPLDNXZSCWGWHD-IBGZPJMESA-N 1 0 344.418 4.254 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccncc1 ZINC000794800652 1053383732 /nfs/dbraw/zinc/38/37/32/1053383732.db2.gz FLXRABBRFPYQQI-WBMJQRKESA-N 1 0 332.245 4.207 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001195367266 1053384375 /nfs/dbraw/zinc/38/43/75/1053384375.db2.gz HAZGDXWZASWCOU-GFCCVEGCSA-N 1 0 329.787 4.313 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)cc1 ZINC001195376426 1053393001 /nfs/dbraw/zinc/39/30/01/1053393001.db2.gz JPLKKXMIOSJELC-OAQYLSRUSA-N 1 0 346.474 4.470 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cc1 ZINC000765264453 1053488418 /nfs/dbraw/zinc/48/84/18/1053488418.db2.gz UBNODSSFADRMDF-IFXJQAMLSA-N 1 0 349.833 4.341 20 30 EIEDRO C=CCCC1(CNC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)CCCC1 ZINC000851641110 1053504235 /nfs/dbraw/zinc/50/42/35/1053504235.db2.gz GDJHNQYTNJZEHL-INIZCTEOSA-N 1 0 349.906 4.076 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000765330816 1053506155 /nfs/dbraw/zinc/50/61/55/1053506155.db2.gz KIMOABWTKWFZRU-JKSUJKDBSA-N 1 0 330.435 4.464 20 30 EIEDRO C[C@@H](c1cccc2ccccc21)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877112 1053512627 /nfs/dbraw/zinc/51/26/27/1053512627.db2.gz RBWQGHVRRRUACG-KSFYIVLOSA-N 1 0 330.431 4.438 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CC(C)(C)CC(C)(C)C1 ZINC001195963287 1053533531 /nfs/dbraw/zinc/53/35/31/1053533531.db2.gz JOTSSFASTSICFF-UHFFFAOYSA-N 1 0 341.499 4.424 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[N@H+](CCCCC#N)C2)CC1 ZINC000852302381 1053565586 /nfs/dbraw/zinc/56/55/86/1053565586.db2.gz AGHSRVXCYXFBEA-SFHVURJKSA-N 1 0 349.519 4.039 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1SC(F)(F)F ZINC000852319259 1053567356 /nfs/dbraw/zinc/56/73/56/1053567356.db2.gz ISEPZTIVGUTOAJ-LBPRGKRZSA-N 1 0 344.402 4.433 20 30 EIEDRO CC(F)(F)C(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000865790251 1053594908 /nfs/dbraw/zinc/59/49/08/1053594908.db2.gz NWBZMIKYDBWOFX-UHFFFAOYSA-N 1 0 346.425 4.235 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000865832789 1053604025 /nfs/dbraw/zinc/60/40/25/1053604025.db2.gz WXZCMDNJYUKGHE-IAGOWNOFSA-N 1 0 338.373 4.356 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cc2cnccc2o1 ZINC000865854863 1053610710 /nfs/dbraw/zinc/61/07/10/1053610710.db2.gz SDCIRAGRRYXBCR-OAHLLOKOSA-N 1 0 335.407 4.361 20 30 EIEDRO CC1(C)CCC(C)(C)[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001196275123 1053629037 /nfs/dbraw/zinc/62/90/37/1053629037.db2.gz LINZIZYUHQNCSC-UHFFFAOYSA-N 1 0 333.863 4.051 20 30 EIEDRO Clc1cccnc1N=NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000853294356 1053664154 /nfs/dbraw/zinc/66/41/54/1053664154.db2.gz MXKZMTGYWRNAAL-UHFFFAOYSA-N 1 0 328.847 4.045 20 30 EIEDRO Clc1ccnc(N=NCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000853328972 1053668467 /nfs/dbraw/zinc/66/84/67/1053668467.db2.gz SDHBBVSLIKBXIU-UHFFFAOYSA-N 1 0 328.847 4.045 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](CC)c1cccc(OC)c1OC)c1ccncc1 ZINC000866268517 1053671634 /nfs/dbraw/zinc/67/16/34/1053671634.db2.gz XESLBVPQJRMFOL-ROUUACIJSA-N 1 0 326.440 4.457 20 30 EIEDRO Cc1nc2c(s1)[C@H]([N@H+](C)CCCOc1ccc(C#N)cc1)CCC2 ZINC000111310750 1053673929 /nfs/dbraw/zinc/67/39/29/1053673929.db2.gz CRLHZXLQXWLJQH-GOSISDBHSA-N 1 0 341.480 4.102 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2ccnc(Cl)c2)ccc1O ZINC000853394369 1053674000 /nfs/dbraw/zinc/67/40/00/1053674000.db2.gz NAKANIYUTIJLFO-UHFFFAOYSA-N 1 0 346.862 4.119 20 30 EIEDRO CC[N@H+](CCOc1ccccc1OC)Cc1cc(Cl)cc(C#N)c1 ZINC001196479826 1053678374 /nfs/dbraw/zinc/67/83/74/1053678374.db2.gz RRMMVKMBUBWLSH-UHFFFAOYSA-N 1 0 344.842 4.121 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3cc(OC)ccc32)c1 ZINC000866296314 1053680168 /nfs/dbraw/zinc/68/01/68/1053680168.db2.gz AJTIMPZMLGJUCT-UWJYYQICSA-N 1 0 336.435 4.153 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)c(O)c1C ZINC000866449398 1053732576 /nfs/dbraw/zinc/73/25/76/1053732576.db2.gz VCKDITLHFVIYDZ-QGZVFWFLSA-N 1 0 349.478 4.200 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)C1CCC(F)(F)CC1 ZINC000866449108 1053732934 /nfs/dbraw/zinc/73/29/34/1053732934.db2.gz RKRPNPLBJHEDAM-HNNXBMFYSA-N 1 0 347.453 4.331 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000866444590 1053734444 /nfs/dbraw/zinc/73/44/44/1053734444.db2.gz BOAJHQZVOGHYPR-LJQANCHMSA-N 1 0 349.503 4.354 20 30 EIEDRO CCC#C[C@H](C)[NH+]1CCC(c2nccc(-c3ccccc3OC)n2)CC1 ZINC000854096039 1053753987 /nfs/dbraw/zinc/75/39/87/1053753987.db2.gz JSGFTEVEBFHRTE-KRWDZBQOSA-N 1 0 349.478 4.134 20 30 EIEDRO C=C(Cl)C[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000776721637 1053786640 /nfs/dbraw/zinc/78/66/40/1053786640.db2.gz CNACXIMXWIFJSA-QGZVFWFLSA-N 1 0 333.859 4.042 20 30 EIEDRO CCOCC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC001196889516 1053792747 /nfs/dbraw/zinc/79/27/47/1053792747.db2.gz SZCVIBRRIQKQQT-NRFANRHFSA-N 1 0 338.426 4.223 20 30 EIEDRO C[C@H]([NH2+][C@H](Cc1cccnc1)C1CCCC1)c1ccc(OCC#N)cc1 ZINC000866609346 1053803399 /nfs/dbraw/zinc/80/33/99/1053803399.db2.gz LYKMOORNPHHMIM-HTAPYJJXSA-N 1 0 349.478 4.436 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](c2ccccc2F)C1(C)C ZINC001197040902 1053823328 /nfs/dbraw/zinc/82/33/28/1053823328.db2.gz AAQXUJGVMIIWEE-GOSISDBHSA-N 1 0 338.426 4.474 20 30 EIEDRO CC(C)CCOC1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000121610719 1053827572 /nfs/dbraw/zinc/82/75/72/1053827572.db2.gz ILEJIYFWFFBLPO-QGZVFWFLSA-N 1 0 330.472 4.005 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2sccc2C)ccc1OC ZINC000113347649 1053923215 /nfs/dbraw/zinc/92/32/15/1053923215.db2.gz WCPHXBKDVBWVQC-HNNXBMFYSA-N 1 0 330.453 4.036 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C)s2)ccc1OC ZINC000113348093 1053924266 /nfs/dbraw/zinc/92/42/66/1053924266.db2.gz ASCIIKGIZJEZPO-OAHLLOKOSA-N 1 0 330.453 4.036 20 30 EIEDRO COc1ccc(CN2CCC(C#N)CC2)cc1SC(F)(F)F ZINC000173587035 1053961837 /nfs/dbraw/zinc/96/18/37/1053961837.db2.gz AECVAUJLUBUUSW-UHFFFAOYSA-N 1 0 330.375 4.043 20 30 EIEDRO C#CC[C@@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC001197700976 1053975845 /nfs/dbraw/zinc/97/58/45/1053975845.db2.gz BMWITVSFPKOZNP-OAHLLOKOSA-N 1 0 325.374 4.210 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1 ZINC000765755282 1053984813 /nfs/dbraw/zinc/98/48/13/1053984813.db2.gz RQOUQQARPFJWNB-HOCLYGCPSA-N 1 0 347.890 4.310 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000113960767 1054033192 /nfs/dbraw/zinc/03/31/92/1054033192.db2.gz OPMRDVGBMYNLOJ-INIZCTEOSA-N 1 0 346.377 4.259 20 30 EIEDRO C=C(C)CC[NH+]1CCC(c2c[nH]c3ccc(C(=O)OC)cc32)CC1 ZINC001197992490 1054052798 /nfs/dbraw/zinc/05/27/98/1054052798.db2.gz ZYMPZXUBOCUEKU-UHFFFAOYSA-N 1 0 326.440 4.100 20 30 EIEDRO C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000429533581 1054080963 /nfs/dbraw/zinc/08/09/63/1054080963.db2.gz GVIJTBWUPGTXRO-OAQYLSRUSA-N 1 0 333.479 4.141 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(N(C)C)cc1 ZINC000775833300 1054106129 /nfs/dbraw/zinc/10/61/29/1054106129.db2.gz AZPGQGKHORKPIR-ZDUSSCGKSA-N 1 0 345.393 4.076 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)c(C(F)(F)F)c1 ZINC000856805788 1054113509 /nfs/dbraw/zinc/11/35/09/1054113509.db2.gz VZDLEHRYUKNXKL-LLVKDONJSA-N 1 0 337.172 4.251 20 30 EIEDRO C=CCC[C@H]1CCC[N@H+]1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198405855 1054138526 /nfs/dbraw/zinc/13/85/26/1054138526.db2.gz BNWQNKUSJWGBAI-ROUUACIJSA-N 1 0 336.520 4.454 20 30 EIEDRO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC001198406012 1054139722 /nfs/dbraw/zinc/13/97/22/1054139722.db2.gz CYGAHOUJOQFFDE-AWEZNQCLSA-N 1 0 336.863 4.026 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)cc1 ZINC000123456183 1054149904 /nfs/dbraw/zinc/14/99/04/1054149904.db2.gz XIVKACYOGMYCSW-FQEVSTJZSA-N 1 0 348.471 4.356 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CO[C@H]2CCC[C@H](C)C2)c1 ZINC001626055564 1054210600 /nfs/dbraw/zinc/21/06/00/1054210600.db2.gz IRSDCRTWHWNCJA-JXFKEZNVSA-N 1 0 344.499 4.228 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001198684485 1054233929 /nfs/dbraw/zinc/23/39/29/1054233929.db2.gz BLMZMPGARDPJNP-QZTJIDSGSA-N 1 0 337.385 4.090 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001198684486 1054234572 /nfs/dbraw/zinc/23/45/72/1054234572.db2.gz BLMZMPGARDPJNP-ROUUACIJSA-N 1 0 337.385 4.090 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@]2([NH2+]CCCCC(C)(C)C#N)CCC[C@@H]12 ZINC001198861476 1054286040 /nfs/dbraw/zinc/28/60/40/1054286040.db2.gz CSADIKKSHICFJX-UZLBHIALSA-N 1 0 349.519 4.228 20 30 EIEDRO C=CCCCC[N@@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198837700 1054286074 /nfs/dbraw/zinc/28/60/74/1054286074.db2.gz PMBHOUFJYKGRQR-PXNSSMCTSA-N 1 0 336.520 4.360 20 30 EIEDRO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000871873027 1054315171 /nfs/dbraw/zinc/31/51/71/1054315171.db2.gz XRSCVPXNJSVKNA-UONOGXRCSA-N 1 0 341.842 4.198 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+]Cc1cccc(C#N)c1)CCCC2 ZINC000872020831 1054333504 /nfs/dbraw/zinc/33/35/04/1054333504.db2.gz KRCIKVMVVKXEIQ-LJQANCHMSA-N 1 0 336.435 4.133 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccc1C#N ZINC000858011083 1054395598 /nfs/dbraw/zinc/39/55/98/1054395598.db2.gz QAULFMWYVFEMIS-OAQYLSRUSA-N 1 0 347.462 4.183 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045974 1054408127 /nfs/dbraw/zinc/40/81/27/1054408127.db2.gz FDZXENCPTBJEPU-QRWLVFNGSA-N 1 0 333.435 4.045 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c(Br)cc1F ZINC000858173148 1054431369 /nfs/dbraw/zinc/43/13/69/1054431369.db2.gz SLIXQAGLOIYPKW-AAEUAGOBSA-N 1 0 325.225 4.069 20 30 EIEDRO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011865 1054444360 /nfs/dbraw/zinc/44/43/60/1054444360.db2.gz BYBWBDVSLGAMHI-PBHICJAKSA-N 1 0 339.405 4.199 20 30 EIEDRO COc1cccc(/C=N/C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1O ZINC000115961518 1054447428 /nfs/dbraw/zinc/44/74/28/1054447428.db2.gz JKYYPODIWUTBIQ-PZBNQXIHSA-N 1 0 338.451 4.045 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cccc(F)c1OC(F)F ZINC001168580564 1054480860 /nfs/dbraw/zinc/48/08/60/1054480860.db2.gz PCICADXSHVVREW-UHFFFAOYSA-N 1 0 325.330 4.251 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2Sc2ccc(F)cc2)nc1 ZINC000858408305 1054483206 /nfs/dbraw/zinc/48/32/06/1054483206.db2.gz RROURWLHSNXUPJ-RBUKOAKNSA-N 1 0 341.455 4.285 20 30 EIEDRO C=CC(C)(C)CC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000858447327 1054492324 /nfs/dbraw/zinc/49/23/24/1054492324.db2.gz OXCUDIGCQWWTKD-KRWDZBQOSA-N 1 0 330.472 4.232 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)c2)cc1 ZINC000873164998 1054497664 /nfs/dbraw/zinc/49/76/64/1054497664.db2.gz OTZNYECWPAYVOH-MRXNPFEDSA-N 1 0 338.451 4.445 20 30 EIEDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000858498290 1054503847 /nfs/dbraw/zinc/50/38/47/1054503847.db2.gz NRYYFKJOICMCHF-JOCHJYFZSA-N 1 0 347.462 4.098 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000105463214 1054522276 /nfs/dbraw/zinc/52/22/76/1054522276.db2.gz HHRDXSIPGQHMRQ-INIZCTEOSA-N 1 0 338.451 4.053 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000859162275 1054635803 /nfs/dbraw/zinc/63/58/03/1054635803.db2.gz XRKABBMBGYMLEX-MSOLQXFVSA-N 1 0 326.465 4.016 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C12CCCCC2 ZINC000776162047 1054775461 /nfs/dbraw/zinc/77/54/61/1054775461.db2.gz BVKGTTFPVGVTNL-NSISKUIASA-N 1 0 342.483 4.367 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)c1 ZINC000776165481 1054792680 /nfs/dbraw/zinc/79/26/80/1054792680.db2.gz RDUWTXLUSGIJFV-BHIYHBOVSA-N 1 0 330.472 4.051 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000776170917 1054799611 /nfs/dbraw/zinc/79/96/11/1054799611.db2.gz QWHCMPWMCPDKHL-PZROIBLQSA-N 1 0 332.806 4.123 20 30 EIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Oc1ccccc1C ZINC000776170268 1054802580 /nfs/dbraw/zinc/80/25/80/1054802580.db2.gz ORRMSQWKNXBIFX-MJGOQNOKSA-N 1 0 338.451 4.406 20 30 EIEDRO N#Cc1cccc(C2CC[NH+](Cc3ccccc3-n3cccn3)CC2)c1 ZINC001137099508 1054843159 /nfs/dbraw/zinc/84/31/59/1054843159.db2.gz QWFQGNGOQIDYDL-UHFFFAOYSA-N 1 0 342.446 4.124 20 30 EIEDRO CCCCCCCCCCCC[NH+]1CCC(S(C)(=O)=O)CC1 ZINC001201631703 1054860399 /nfs/dbraw/zinc/86/03/99/1054860399.db2.gz YLDBDLUQBDPQLT-UHFFFAOYSA-N 1 0 331.566 4.416 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CCN(C(=O)c3ccco3)C2)CC1 ZINC001201762227 1054900725 /nfs/dbraw/zinc/90/07/25/1054900725.db2.gz BREWQIZNJJDYIY-UHFFFAOYSA-N 1 0 332.488 4.178 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001201798316 1054909299 /nfs/dbraw/zinc/90/92/99/1054909299.db2.gz UXNMGDDFHYZRCV-SFHVURJKSA-N 1 0 329.488 4.469 20 30 EIEDRO CCCCCCCC[N@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001201813189 1054910889 /nfs/dbraw/zinc/91/08/89/1054910889.db2.gz BXRQEADBASAMGN-LJQANCHMSA-N 1 0 333.520 4.102 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001201814678 1054911582 /nfs/dbraw/zinc/91/15/82/1054911582.db2.gz ROKUMROCPLPVBI-HXUWFJFHSA-N 1 0 342.527 4.343 20 30 EIEDRO CCCCCCCC[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001201814847 1054912230 /nfs/dbraw/zinc/91/22/30/1054912230.db2.gz SPMXUCZXNHMIGX-HDICACEKSA-N 1 0 334.529 4.112 20 30 EIEDRO CCCCCCCC[NH+]1C[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001201814850 1054913209 /nfs/dbraw/zinc/91/32/09/1054913209.db2.gz SPMXUCZXNHMIGX-QZTJIDSGSA-N 1 0 334.529 4.112 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(C)=O)[C@@H]2C1 ZINC001201776476 1054913812 /nfs/dbraw/zinc/91/38/12/1054913812.db2.gz DIRHQJPGKJTBHT-FGZHOGPDSA-N 1 0 342.527 4.221 20 30 EIEDRO CCCCCCC[N@@H+]1CCCn2cnc(COc3cccnc3)c2C1 ZINC001201776610 1054914972 /nfs/dbraw/zinc/91/49/72/1054914972.db2.gz HAHUBJVETXTGHI-UHFFFAOYSA-N 1 0 342.487 4.033 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(C)=O)[C@@H]2C1 ZINC001201776479 1054915931 /nfs/dbraw/zinc/91/59/31/1054915931.db2.gz DIRHQJPGKJTBHT-YADHBBJMSA-N 1 0 342.527 4.221 20 30 EIEDRO CCCCCCCCC[NH+]1CCC2(CC(=O)N(CC3CC3)C2)CC1 ZINC001201852933 1054922872 /nfs/dbraw/zinc/92/28/72/1054922872.db2.gz SOPGYPJTOQNCSB-UHFFFAOYSA-N 1 0 334.548 4.462 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)NC(=O)Nc1ccccc12 ZINC001201825848 1054925091 /nfs/dbraw/zinc/92/50/91/1054925091.db2.gz FYGBVVUFIMUAPX-UHFFFAOYSA-N 1 0 329.488 4.473 20 30 EIEDRO CCCCCCCCC[NH+]1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001201839278 1054931411 /nfs/dbraw/zinc/93/14/11/1054931411.db2.gz JZUJMTUPXBTUMF-QZTJIDSGSA-N 1 0 335.561 4.257 20 30 EIEDRO C[C@@H](CCC#N)C[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000876586830 1054932909 /nfs/dbraw/zinc/93/29/09/1054932909.db2.gz LHRDEQCTACPMME-WMZOPIPTSA-N 1 0 349.519 4.038 20 30 EIEDRO CCCCCCCCC[NH+]1CCC2(CCCN2C(=O)N(C)C)CC1 ZINC001201846904 1054933274 /nfs/dbraw/zinc/93/32/74/1054933274.db2.gz OXCJEBXJQAWQGK-UHFFFAOYSA-N 1 0 337.552 4.349 20 30 EIEDRO CCCCCCCC[NH+]1CCN(C[C@H](OC)c2ccccc2)CC1 ZINC001201840277 1054933305 /nfs/dbraw/zinc/93/33/05/1054933305.db2.gz RUYLCAWQLAFKBO-NRFANRHFSA-N 1 0 332.532 4.352 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC001137114470 1054983703 /nfs/dbraw/zinc/98/37/03/1054983703.db2.gz MGKNIBPDAJKSFV-UHFFFAOYSA-N 1 0 347.418 4.110 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000877067381 1055011987 /nfs/dbraw/zinc/01/19/87/1055011987.db2.gz CPVSWLQYVCWPMY-JFVOVXHCSA-N 1 0 327.255 4.087 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000877080313 1055013982 /nfs/dbraw/zinc/01/39/82/1055013982.db2.gz AZDKZSGZLWCPDQ-ZWNOBZJWSA-N 1 0 331.769 4.065 20 30 EIEDRO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC001137119606 1055042545 /nfs/dbraw/zinc/04/25/45/1055042545.db2.gz ZAMRUATWAVJDAO-OAQYLSRUSA-N 1 0 336.435 4.325 20 30 EIEDRO Cc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1-c1ccsc1 ZINC000877455717 1055056078 /nfs/dbraw/zinc/05/60/78/1055056078.db2.gz KVRRTALLTYAFPB-KRWDZBQOSA-N 1 0 327.453 4.073 20 30 EIEDRO N#CC1CCC([NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000877475551 1055058636 /nfs/dbraw/zinc/05/86/36/1055058636.db2.gz SMTFTIUSUOCVKI-MGULZYLOSA-N 1 0 325.239 4.489 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877552343 1055078919 /nfs/dbraw/zinc/07/89/19/1055078919.db2.gz CRTXCEMHSDJAIS-SQNIBIBYSA-N 1 0 349.519 4.038 20 30 EIEDRO C[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccc(OCC#N)cc1 ZINC001137124037 1055088905 /nfs/dbraw/zinc/08/89/05/1055088905.db2.gz NFUQJGDPYCITOB-UHFFFAOYSA-N 1 0 348.368 4.282 20 30 EIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](CCc3ccccc3)C2)cc1 ZINC001137124223 1055091480 /nfs/dbraw/zinc/09/14/80/1055091480.db2.gz WZWBNQBVCBDESB-FQEVSTJZSA-N 1 0 334.463 4.434 20 30 EIEDRO COc1ccc([C@H]2C[C@@H]([NH2+]C3(c4ccc(C#N)cc4)CC3)CCO2)cc1 ZINC001168599496 1055097999 /nfs/dbraw/zinc/09/79/99/1055097999.db2.gz HCJFUARTSSNWHX-PZJWPPBQSA-N 1 0 348.446 4.066 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cc(F)cc(NC(=O)OC(C)(C)C)c1 ZINC000877809922 1055125460 /nfs/dbraw/zinc/12/54/60/1055125460.db2.gz ZGAFMCBFSDUZFU-ZDUSSCGKSA-N 1 0 335.423 4.202 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822556 1055127208 /nfs/dbraw/zinc/12/72/08/1055127208.db2.gz RJWHLRDHZGNACD-XJKSGUPXSA-N 1 0 340.389 4.029 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](CC(C)C)C1CCCC1)c1ccccc1 ZINC000878009680 1055173424 /nfs/dbraw/zinc/17/34/24/1055173424.db2.gz BFWYNBDPTBYVCH-NRFANRHFSA-N 1 0 326.484 4.328 20 30 EIEDRO C=CC1CC[NH+](Cc2nnc(-c3cc4ccccc4cc3OC)o2)CC1 ZINC000878093473 1055185173 /nfs/dbraw/zinc/18/51/73/1055185173.db2.gz JBADOHGISIMPKL-UHFFFAOYSA-N 1 0 349.434 4.296 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(F)c2F)c1 ZINC000776309353 1055191093 /nfs/dbraw/zinc/19/10/93/1055191093.db2.gz CWXHJIJAEDTJLL-ZFWWWQNUSA-N 1 0 330.378 4.497 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000186271937 1055305146 /nfs/dbraw/zinc/30/51/46/1055305146.db2.gz OPNPWAZTYADAGE-UHFFFAOYSA-N 1 0 348.446 4.197 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccc(F)cc1C)c1ccccc1 ZINC000878506252 1055326520 /nfs/dbraw/zinc/32/65/20/1055326520.db2.gz GRXMQRHGLFYJSW-NRFANRHFSA-N 1 0 338.426 4.007 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)C/C(C)=C\c1ccccc1)c1ccccc1 ZINC000878509636 1055327577 /nfs/dbraw/zinc/32/75/77/1055327577.db2.gz SEXFMIHGHOLRNN-SSZMPNMXSA-N 1 0 346.474 4.462 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)cnn1-c1ccc(F)cc1 ZINC000186321663 1055351185 /nfs/dbraw/zinc/35/11/85/1055351185.db2.gz LEVYCLMFTJFYAG-OAHLLOKOSA-N 1 0 348.425 4.351 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000114474877 1055413818 /nfs/dbraw/zinc/41/38/18/1055413818.db2.gz LMHDKOLBZDOTMG-ZIAGYGMSSA-N 1 0 333.501 4.044 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000114504373 1055427088 /nfs/dbraw/zinc/42/70/88/1055427088.db2.gz JESYXKYKLDLJOF-AWEZNQCLSA-N 1 0 345.414 4.259 20 30 EIEDRO C#CCC(C)(C)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000186387121 1055434352 /nfs/dbraw/zinc/43/43/52/1055434352.db2.gz AHZKHAZZSQEYJZ-UHFFFAOYSA-N 1 0 348.490 4.081 20 30 EIEDRO CC(C)[NH2+][C@@H]1CCCN(c2c(C#N)cnc3ccc(C(C)C)cc32)C1 ZINC000618583283 1055780790 /nfs/dbraw/zinc/78/07/90/1055780790.db2.gz JREUDFISKKPPLA-GOSISDBHSA-N 1 0 336.483 4.197 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)cc1Cl ZINC000542708590 1055853317 /nfs/dbraw/zinc/85/33/17/1055853317.db2.gz GQGHCYIQYHCEML-OAHLLOKOSA-N 1 0 335.875 4.296 20 30 EIEDRO N#Cc1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000301076942 1055893544 /nfs/dbraw/zinc/89/35/44/1055893544.db2.gz HZAOIUXUANKZDL-UHFFFAOYSA-N 1 0 325.843 4.288 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCCCNc1nc(C(F)(F)F)ccc1C#N ZINC000301300303 1055919898 /nfs/dbraw/zinc/91/98/98/1055919898.db2.gz QRGNNDAOCXRRKU-ZDUSSCGKSA-N 1 0 340.393 4.039 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H]([NH+]4CCCC4)CC3)c2c1 ZINC000301413749 1055933879 /nfs/dbraw/zinc/93/38/79/1055933879.db2.gz ZKSZBQYCZZYAKJ-LJQANCHMSA-N 1 0 348.494 4.178 20 30 EIEDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000302000933 1056006426 /nfs/dbraw/zinc/00/64/26/1056006426.db2.gz WFNWFPRBFVJJRF-INIZCTEOSA-N 1 0 331.891 4.160 20 30 EIEDRO N#Cc1ccc2nc(N3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc2c1 ZINC000301991151 1056007613 /nfs/dbraw/zinc/00/76/13/1056007613.db2.gz XZPCQJUGKMOWNB-LJQANCHMSA-N 1 0 348.494 4.199 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000302045712 1056011635 /nfs/dbraw/zinc/01/16/35/1056011635.db2.gz UMOZEJPKWNTGAC-UHFFFAOYSA-N 1 0 335.451 4.213 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000302061522 1056012651 /nfs/dbraw/zinc/01/26/51/1056012651.db2.gz RHUWWILXFWBYEY-QZTJIDSGSA-N 1 0 348.494 4.197 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000302107671 1056017172 /nfs/dbraw/zinc/01/71/72/1056017172.db2.gz OFFIMMVQXHHLOK-GOSISDBHSA-N 1 0 339.464 4.071 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000302107677 1056019123 /nfs/dbraw/zinc/01/91/23/1056019123.db2.gz OFFIMMVQXHHLOK-SFHVURJKSA-N 1 0 339.464 4.071 20 30 EIEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000108367231 1056035473 /nfs/dbraw/zinc/03/54/73/1056035473.db2.gz KFTDHQGKPNJKDU-GJZGRUSLSA-N 1 0 333.501 4.143 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3c(C#N)cccc3C#N)cc2)C1 ZINC000302824343 1056078468 /nfs/dbraw/zinc/07/84/68/1056078468.db2.gz GGOKNEBQHHZJMX-KRWDZBQOSA-N 1 0 344.462 4.274 20 30 EIEDRO CN(Cc1cc(Br)cs1)Cc1ccc(C#N)c(F)c1 ZINC000403979253 1056166812 /nfs/dbraw/zinc/16/68/12/1056166812.db2.gz FKEQPJGEUWNMMB-UHFFFAOYSA-N 1 0 339.233 4.153 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CC2(CC#N)CC2)ccc1OCCC(C)C ZINC000619535113 1056398246 /nfs/dbraw/zinc/39/82/46/1056398246.db2.gz QSWGQHZWCAVGEM-INIZCTEOSA-N 1 0 330.472 4.465 20 30 EIEDRO C=C(C)CN(CC)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000061758784 1056654325 /nfs/dbraw/zinc/65/43/25/1056654325.db2.gz YCWYQKGMUQYYNT-UHFFFAOYSA-N 1 0 332.469 4.225 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1ccc(Cl)c(C#N)n1)c1ccccc1 ZINC000111218228 1056772917 /nfs/dbraw/zinc/77/29/17/1056772917.db2.gz CCAIBJBAASFLMZ-KRWDZBQOSA-N 1 0 328.847 4.102 20 30 EIEDRO Cc1ccccc1[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)C(C)C ZINC000411463936 1056778098 /nfs/dbraw/zinc/77/80/98/1056778098.db2.gz SUTUZKQBQJJFMV-NRFANRHFSA-N 1 0 335.451 4.182 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1Oc1cccnc1 ZINC000063518067 1056815149 /nfs/dbraw/zinc/81/51/49/1056815149.db2.gz GKYSRVPSMLPSQH-UHFFFAOYSA-N 1 0 329.403 4.378 20 30 EIEDRO CC[N@@H+]1CCC(N=Nc2nc(Cl)c(Cl)cc2Cl)[C@@H](C)C1 ZINC000741457820 1058217738 /nfs/dbraw/zinc/21/77/38/1058217738.db2.gz RCZXBDVCBZBXTM-QMMMGPOBSA-N 1 0 335.666 4.171 20 30 EIEDRO C[NH+](C)C1(C/N=C\c2c(O)ccc3ccccc32)Cc2ccccc2C1 ZINC000741463848 1058221158 /nfs/dbraw/zinc/22/11/58/1058221158.db2.gz IWKGTLAKVXAMHC-IWIPYMOSSA-N 1 0 344.458 4.064 20 30 EIEDRO C=CC[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)CC1CCCCC1 ZINC000741786814 1058371600 /nfs/dbraw/zinc/37/16/00/1058371600.db2.gz FJGAMXFHXLXOOH-LJQANCHMSA-N 1 0 328.456 4.080 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H](O)c1ccc(F)cc1 ZINC000741791994 1058373927 /nfs/dbraw/zinc/37/39/27/1058373927.db2.gz WFGXMRLPLZXJKX-FQEVSTJZSA-N 1 0 344.405 4.028 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CCc1ccc(Br)cc1F ZINC000742369986 1058578898 /nfs/dbraw/zinc/57/88/98/1058578898.db2.gz MRYSCPZYINCLOY-UHFFFAOYSA-N 1 0 327.241 4.050 20 30 EIEDRO COc1ccc(C[NH2+][C@H](c2cccnc2)C2CCCCC2)cc1C#N ZINC000742369757 1058596645 /nfs/dbraw/zinc/59/66/45/1058596645.db2.gz QMSSXWRZHXZIOG-NRFANRHFSA-N 1 0 335.451 4.373 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccc(C)cc1 ZINC000742710053 1058718433 /nfs/dbraw/zinc/71/84/33/1058718433.db2.gz DFAOANUFQAZSAI-GMAHTHKFSA-N 1 0 349.474 4.265 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1 ZINC000742710025 1058720168 /nfs/dbraw/zinc/72/01/68/1058720168.db2.gz AQISHBNBKJKJHS-GGAORHGYSA-N 1 0 349.474 4.265 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@H](O)c2c(F)cccc2F)cc1 ZINC000742711846 1058721498 /nfs/dbraw/zinc/72/14/98/1058721498.db2.gz BHAAIQDXCNUATN-ICSRJNTNSA-N 1 0 347.405 4.131 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc(OC)c1OC ZINC000743472782 1059021262 /nfs/dbraw/zinc/02/12/62/1059021262.db2.gz JQUJEHOJUNANHV-OAHLLOKOSA-N 1 0 336.435 4.155 20 30 EIEDRO Cc1cc(CO[NH+]=C(N)c2ccc(N3CCCCC3)cc2)c(C)s1 ZINC000744446383 1059517985 /nfs/dbraw/zinc/51/79/85/1059517985.db2.gz XCFPZXSMCOETQR-UHFFFAOYSA-N 1 0 343.496 4.192 20 30 EIEDRO CSc1ccc(F)cc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000744449479 1059527019 /nfs/dbraw/zinc/52/70/19/1059527019.db2.gz YAIYREKIHGZMHI-CYBMUJFWSA-N 1 0 330.428 4.128 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745707314 1059880803 /nfs/dbraw/zinc/88/08/03/1059880803.db2.gz ZLYAYXZHPUXNGX-KSZLIROESA-N 1 0 325.541 4.107 20 30 EIEDRO CC[N@@H+](Cc1ccc(C)cc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746026919 1059969288 /nfs/dbraw/zinc/96/92/88/1059969288.db2.gz UMQOTSAPNVBHDN-UHFFFAOYSA-N 1 0 330.435 4.210 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(F)cc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746026225 1059969953 /nfs/dbraw/zinc/96/99/53/1059969953.db2.gz BWEUWAJPHVXQSJ-UHFFFAOYSA-N 1 0 348.425 4.429 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000746046859 1059980014 /nfs/dbraw/zinc/98/00/14/1059980014.db2.gz FCZGOVFFOXHYCW-KBXCAEBGSA-N 1 0 339.395 4.127 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001205990884 1060129930 /nfs/dbraw/zinc/12/99/30/1060129930.db2.gz XBQBYTWHTKKKBJ-ACJLOTCBSA-N 1 0 346.243 4.483 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC001169045876 1060603476 /nfs/dbraw/zinc/60/34/76/1060603476.db2.gz UTKRPILRMDYZAV-KRWDZBQOSA-N 1 0 346.474 4.226 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001169145178 1060663781 /nfs/dbraw/zinc/66/37/81/1060663781.db2.gz SWMSHICRVOIPCH-MGPUTAFESA-N 1 0 328.504 4.206 20 30 EIEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001169364738 1060781428 /nfs/dbraw/zinc/78/14/28/1060781428.db2.gz FFOPBEBCXQSFDL-VDZJLULYSA-N 1 0 327.472 4.080 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)c1C#N ZINC001169364227 1060781905 /nfs/dbraw/zinc/78/19/05/1060781905.db2.gz CNXJGRNMIWOGNI-DNVCBOLYSA-N 1 0 328.456 4.039 20 30 EIEDRO C=C(C)[C@H]([NH2+]C[C@@H]1Cc2cc(OC)ccc2O1)c1ccc(F)c(F)c1 ZINC001169472530 1060832947 /nfs/dbraw/zinc/83/29/47/1060832947.db2.gz HSZLYVQTAGYLST-JXFKEZNVSA-N 1 0 345.389 4.184 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC001169565375 1060857451 /nfs/dbraw/zinc/85/74/51/1060857451.db2.gz COMCAWYWHJLRLP-AOIWGVFYSA-N 1 0 341.499 4.126 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncc(C#N)c2ccccc21 ZINC001169682676 1060895901 /nfs/dbraw/zinc/89/59/01/1060895901.db2.gz FPQLUMWKWWYQQJ-LJQANCHMSA-N 1 0 328.419 4.347 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nc(C(F)(F)F)ccc1C#N ZINC001169683782 1060896297 /nfs/dbraw/zinc/89/62/97/1060896297.db2.gz ORINEIZBGMOHHZ-AWEZNQCLSA-N 1 0 346.356 4.212 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2SC)cc1 ZINC001169687119 1060900395 /nfs/dbraw/zinc/90/03/95/1060900395.db2.gz OTMFEWCBEZPYTQ-OAHLLOKOSA-N 1 0 338.476 4.069 20 30 EIEDRO C#C[C@](C)(CC)Nc1ccc([C@@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001169701819 1060910206 /nfs/dbraw/zinc/91/02/06/1060910206.db2.gz UWVPXQIICRLKQT-IFMALSPDSA-N 1 0 335.495 4.379 20 30 EIEDRO C[NH+](C)CCC(C)(C)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001169718654 1060920102 /nfs/dbraw/zinc/92/01/02/1060920102.db2.gz PSVODRPCECCIBZ-UHFFFAOYSA-N 1 0 346.290 4.404 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169776530 1060940412 /nfs/dbraw/zinc/94/04/12/1060940412.db2.gz ZBDCUOILBNZICB-JOCHJYFZSA-N 1 0 348.490 4.370 20 30 EIEDRO C=CC[C@@H]1[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)CCCC1(C)C ZINC001169845475 1060998677 /nfs/dbraw/zinc/99/86/77/1060998677.db2.gz VDSDSGZBHLANRE-KRWDZBQOSA-N 1 0 336.426 4.360 20 30 EIEDRO C#CCCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000766901487 1061062296 /nfs/dbraw/zinc/06/22/96/1061062296.db2.gz YRVTVAFDJGZQGY-UHFFFAOYSA-N 1 0 347.462 4.411 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1nc(Cl)c(C#N)s1)Cc1ccccc1 ZINC000804346718 1061100941 /nfs/dbraw/zinc/10/09/41/1061100941.db2.gz YTUVWNUPZZCKIL-CQSZACIVSA-N 1 0 348.903 4.033 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000136727139 1032061559 /nfs/dbraw/zinc/06/15/59/1032061559.db2.gz HKBKSPNABGROCK-LJQANCHMSA-N 1 0 342.483 4.341 20 30 EIEDRO C=C(C)COCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000532139825 1032064354 /nfs/dbraw/zinc/06/43/54/1032064354.db2.gz PDBBSWMPNJWRDH-UHFFFAOYSA-N 1 0 332.425 4.006 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cnn(Cc2ccccc2)c1 ZINC000532206818 1032074781 /nfs/dbraw/zinc/07/47/81/1032074781.db2.gz OFDDGVNQUHIBFQ-IRXDYDNUSA-N 1 0 330.435 4.215 20 30 EIEDRO C=CCC1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCCC1 ZINC000449861962 1032085155 /nfs/dbraw/zinc/08/51/55/1032085155.db2.gz UHOGPSSFHQFFGK-RBUKOAKNSA-N 1 0 332.532 4.236 20 30 EIEDRO CCOc1cccc(C[NH2+][C@H](C)CC(C)(C)C#N)c1OC(F)F ZINC000925254043 1032116024 /nfs/dbraw/zinc/11/60/24/1032116024.db2.gz MAGSYRFSBSQEMK-GFCCVEGCSA-N 1 0 326.387 4.105 20 30 EIEDRO C=C(Br)C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000729682785 1032149675 /nfs/dbraw/zinc/14/96/75/1032149675.db2.gz LFCYRCCKXGCECR-UHFFFAOYSA-N 1 0 331.257 4.453 20 30 EIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC1CCC(C#N)CC1 ZINC001168265772 1032181813 /nfs/dbraw/zinc/18/18/13/1032181813.db2.gz WGUOPQPZNURRDX-JTTJXQCZSA-N 1 0 335.879 4.202 20 30 EIEDRO CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508620486 1032223046 /nfs/dbraw/zinc/22/30/46/1032223046.db2.gz QKJBDYILBCWWLO-QGZVFWFLSA-N 1 0 330.435 4.327 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000237604755 1032234600 /nfs/dbraw/zinc/23/46/00/1032234600.db2.gz GAVDQDLSWVCENN-FZKQIMNGSA-N 1 0 342.826 4.244 20 30 EIEDRO C=CCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000450058062 1032242139 /nfs/dbraw/zinc/24/21/39/1032242139.db2.gz GSHDICBPBJIHEE-UYAOXDASSA-N 1 0 340.511 4.292 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(-c2ccccc2)n1 ZINC000245556948 1032311034 /nfs/dbraw/zinc/31/10/34/1032311034.db2.gz JLRCURYZBDVAFZ-YLJYHZDGSA-N 1 0 334.467 4.228 20 30 EIEDRO COc1cccc(NC(=[NH2+])N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000262845724 1032312393 /nfs/dbraw/zinc/31/23/93/1032312393.db2.gz VPHXWYRYUFIVQS-SAZUREKKSA-N 1 0 329.831 4.021 20 30 EIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cnc(-c2ccccc2)nc1 ZINC000532925535 1032391090 /nfs/dbraw/zinc/39/10/90/1032391090.db2.gz VAHJRMMWIOQFFT-UHFFFAOYSA-N 1 0 329.447 4.374 20 30 EIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245813239 1032494017 /nfs/dbraw/zinc/49/40/17/1032494017.db2.gz ZREOODVFPUUCNB-JXFKEZNVSA-N 1 0 336.435 4.323 20 30 EIEDRO N#Cc1c(Cl)cccc1N1CCC(c2ncc3n2CCCC3)CC1 ZINC000450485013 1032527523 /nfs/dbraw/zinc/52/75/23/1032527523.db2.gz NTIAQFPHQIWLNO-UHFFFAOYSA-N 1 0 340.858 4.128 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000127468615 1032544590 /nfs/dbraw/zinc/54/45/90/1032544590.db2.gz ANRNZPSTTUQKLW-CVEARBPZSA-N 1 0 343.430 4.389 20 30 EIEDRO N#Cc1ccc(CN2CCC[N@@H+]([C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000533222858 1032551738 /nfs/dbraw/zinc/55/17/38/1032551738.db2.gz AQOMSNCAWHPQHE-HSZRJFAPSA-N 1 0 345.490 4.144 20 30 EIEDRO CC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1c(C)noc1C ZINC000121293746 1032622015 /nfs/dbraw/zinc/62/20/15/1032622015.db2.gz HBQDXBZXNQEVDM-SFHVURJKSA-N 1 0 327.428 4.215 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000181032668 1032638424 /nfs/dbraw/zinc/63/84/24/1032638424.db2.gz RMZXXDFBLRDZTF-LIRRHRJNSA-N 1 0 340.398 4.120 20 30 EIEDRO CSc1ccc(Br)cc1CC[NH2+]C[C@H](C)CCC#N ZINC000897515502 1032715256 /nfs/dbraw/zinc/71/52/56/1032715256.db2.gz SQPSLTQHJHYUTK-GFCCVEGCSA-N 1 0 341.318 4.243 20 30 EIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CC[C@@H](C#N)C3)s2)cc1 ZINC000274613238 1018834453 /nfs/dbraw/zinc/83/44/53/1018834453.db2.gz KQGOBANRDIXGQW-JGGQBBKZSA-N 1 0 341.480 4.470 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000533489522 1032795990 /nfs/dbraw/zinc/79/59/90/1032795990.db2.gz GXAJNWLWAZKXQL-HXUWFJFHSA-N 1 0 335.451 4.264 20 30 EIEDRO C=C(C)[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)c(F)c1 ZINC000430203422 1019269867 /nfs/dbraw/zinc/26/98/67/1019269867.db2.gz IJFOCVQXXWCMMA-GOSISDBHSA-N 1 0 348.349 4.289 20 30 EIEDRO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001139966165 1019683733 /nfs/dbraw/zinc/68/37/33/1019683733.db2.gz NUYGHYIGEZOFJT-LBPRGKRZSA-N 1 0 332.245 4.056 20 30 EIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000339659831 1019777872 /nfs/dbraw/zinc/77/78/72/1019777872.db2.gz CBOAWEJEYHRLBC-GOSISDBHSA-N 1 0 348.425 4.020 20 30 EIEDRO CC(C)[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)CC1CC1 ZINC000533495107 1019910781 /nfs/dbraw/zinc/91/07/81/1019910781.db2.gz UIIOBDSYENVWRM-HNNXBMFYSA-N 1 0 345.512 4.140 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(C#N)s1 ZINC000134824132 1020026150 /nfs/dbraw/zinc/02/61/50/1020026150.db2.gz CRJDHOVYCNMGBU-CHWSQXEVSA-N 1 0 347.434 4.075 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1F)c1ccccc1 ZINC000547766626 1020178491 /nfs/dbraw/zinc/17/84/91/1020178491.db2.gz IIPGVSGDGNEJBT-IBGZPJMESA-N 1 0 327.399 4.409 20 30 EIEDRO Clc1cccc(C#CCN2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC001167116035 1020220326 /nfs/dbraw/zinc/22/03/26/1020220326.db2.gz LYPUOEHVIONJTA-UHFFFAOYSA-N 1 0 344.930 4.280 20 30 EIEDRO C=CCCCCCC[N@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001209440092 1020343718 /nfs/dbraw/zinc/34/37/18/1020343718.db2.gz AKMPWJSTFUCESO-QGZVFWFLSA-N 1 0 344.474 4.382 20 30 EIEDRO C=CCSCC[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000510222058 1020489408 /nfs/dbraw/zinc/48/94/08/1020489408.db2.gz JZVIRMZJSMLYQY-IBGZPJMESA-N 1 0 340.492 4.184 20 30 EIEDRO CC(C)[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC001167218791 1020576275 /nfs/dbraw/zinc/57/62/75/1020576275.db2.gz RVBRDMBXHNFJAP-UHFFFAOYSA-N 1 0 326.415 4.377 20 30 EIEDRO C=CCC1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCC1 ZINC001125337683 1020604296 /nfs/dbraw/zinc/60/42/96/1020604296.db2.gz BZHMVRUVJKJLAI-UHFFFAOYSA-N 1 0 326.484 4.400 20 30 EIEDRO C[N@@H+]1CC[C@H](N[C@H](CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340309758 1020750782 /nfs/dbraw/zinc/75/07/82/1020750782.db2.gz XFEPAIKEXORDEJ-BHDDXSALSA-N 1 0 333.479 4.457 20 30 EIEDRO N#Cc1cc(N2CCC(C[NH+]3CCCCCC3)CC2)nc2ccccc12 ZINC000610275430 1020869466 /nfs/dbraw/zinc/86/94/66/1020869466.db2.gz LJBSRYSHQNJOBW-UHFFFAOYSA-N 1 0 348.494 4.199 20 30 EIEDRO C#CCCCC[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000090397578 1020888518 /nfs/dbraw/zinc/88/85/18/1020888518.db2.gz SVTVVIOQDZPXEU-AEFFLSMTSA-N 1 0 333.447 4.228 20 30 EIEDRO CC1CCC(Oc2cc(C[NH2+]Cc3ccc(C#N)s3)ccn2)CC1 ZINC000176969679 1020942073 /nfs/dbraw/zinc/94/20/73/1020942073.db2.gz WTPQUYSGINHRNG-UHFFFAOYSA-N 1 0 341.480 4.262 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(F)cc2C#N)cc1)C(C)C ZINC000177583272 1020989101 /nfs/dbraw/zinc/98/91/01/1020989101.db2.gz APDROXTUJUAIBD-UHFFFAOYSA-N 1 0 339.414 4.180 20 30 EIEDRO N#CC1(CCC[N@@H+]2CCC[C@H]2/C=C/c2cccs2)CCOCC1 ZINC000375622560 1020997744 /nfs/dbraw/zinc/99/77/44/1020997744.db2.gz BMCUAMZDBBDCPY-LXXRFIIISA-N 1 0 330.497 4.326 20 30 EIEDRO CC1CCC([N@H+](Cc2ccc3c(c2)OCO3)CC2(C#N)CC2)CC1 ZINC001167309524 1021017714 /nfs/dbraw/zinc/01/77/14/1021017714.db2.gz DTISSIZUZHIUKZ-UHFFFAOYSA-N 1 0 326.440 4.100 20 30 EIEDRO Cc1cc2ncc([C@H](C)[NH2+][C@@H](CCCC#N)c3ccccc3)c(C)n2n1 ZINC000340444770 1021039071 /nfs/dbraw/zinc/03/90/71/1021039071.db2.gz JKSPBOMTOKUSLO-JXFKEZNVSA-N 1 0 347.466 4.432 20 30 EIEDRO Cc1noc(C2CCC([NH2+][C@@H](CCCC#N)c3ccccc3)CC2)n1 ZINC000340449754 1021046003 /nfs/dbraw/zinc/04/60/03/1021046003.db2.gz WRAQVJHIHRVZGZ-ACBHZAAOSA-N 1 0 338.455 4.429 20 30 EIEDRO C[NH+](C)[C@@H]1CCOc2c(Nc3cc(Cl)cc(C#N)c3)cccc21 ZINC001210539831 1021205252 /nfs/dbraw/zinc/20/52/52/1021205252.db2.gz LQNYUGPYXATNIZ-QGZVFWFLSA-N 1 0 327.815 4.340 20 30 EIEDRO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000610343237 1021330953 /nfs/dbraw/zinc/33/09/53/1021330953.db2.gz BWHKCPBRCOLQEY-GVDBMIGSSA-N 1 0 349.478 4.037 20 30 EIEDRO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)c2cccc(C#N)c2)s1 ZINC000612740544 1021335458 /nfs/dbraw/zinc/33/54/58/1021335458.db2.gz IMRVXJVCYMWTDC-SECBINFHSA-N 1 0 325.359 4.193 20 30 EIEDRO CCOc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000610344737 1021343950 /nfs/dbraw/zinc/34/39/50/1021343950.db2.gz GPSIECISVQEIDO-CYBMUJFWSA-N 1 0 344.842 4.470 20 30 EIEDRO N#Cc1csc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)c1 ZINC000177684681 1021440854 /nfs/dbraw/zinc/44/08/54/1021440854.db2.gz NGZGMUNKHQQIRP-SFHVURJKSA-N 1 0 345.899 4.200 20 30 EIEDRO C[NH+](C)Cc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000558490958 1021451829 /nfs/dbraw/zinc/45/18/29/1021451829.db2.gz NSUBVUCUPLKZJU-UHFFFAOYSA-N 1 0 333.357 4.251 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2ccc(Br)cc2Cl)c1 ZINC000177691484 1021451949 /nfs/dbraw/zinc/45/19/49/1021451949.db2.gz NOWHQPFZBNPEIG-UHFFFAOYSA-N 1 0 341.661 4.325 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000512522124 1032981720 /nfs/dbraw/zinc/98/17/20/1032981720.db2.gz OMUFPCVPXCDTBH-UHFFFAOYSA-N 1 0 329.827 4.130 20 30 EIEDRO N#Cc1csc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)c1 ZINC000177701529 1021554752 /nfs/dbraw/zinc/55/47/52/1021554752.db2.gz XQEYLFJAEVTDGQ-LJQANCHMSA-N 1 0 326.465 4.194 20 30 EIEDRO Cc1cc(NCc2cc(C#N)cs2)ccc1OCC[NH+]1CCCC1 ZINC000177703683 1021600024 /nfs/dbraw/zinc/60/00/24/1021600024.db2.gz AUJOBESYHGQFIR-UHFFFAOYSA-N 1 0 341.480 4.015 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177743849 1021633839 /nfs/dbraw/zinc/63/38/39/1021633839.db2.gz DGCXZWCTGNKNPP-YADHBBJMSA-N 1 0 346.405 4.110 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)O1 ZINC000376167982 1021649814 /nfs/dbraw/zinc/64/98/14/1021649814.db2.gz SFWFRZVOEGSZRO-QBPKDAKJSA-N 1 0 338.373 4.035 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(Cl)c3cccnc23)cc1 ZINC000177770149 1021671263 /nfs/dbraw/zinc/67/12/63/1021671263.db2.gz HAHCIIGOVGHBPE-UHFFFAOYSA-N 1 0 337.810 4.080 20 30 EIEDRO Cc1cc(Cl)c2ncc(C#N)c(NC[C@H]3CC[N@@H+](C(C)C)C3)c2c1 ZINC000548987975 1021708751 /nfs/dbraw/zinc/70/87/51/1021708751.db2.gz XELUQGQRWUNSJR-CQSZACIVSA-N 1 0 342.874 4.211 20 30 EIEDRO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180089878 1021709944 /nfs/dbraw/zinc/70/99/44/1021709944.db2.gz YEOQGOVVJPIXQZ-MRXNPFEDSA-N 1 0 342.446 4.078 20 30 EIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000581337312 1021844010 /nfs/dbraw/zinc/84/40/10/1021844010.db2.gz FPWAQHNXUSQDGA-JOCHJYFZSA-N 1 0 344.462 4.150 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccco1 ZINC000683889978 1021879727 /nfs/dbraw/zinc/87/97/27/1021879727.db2.gz BTXLVGPOLLNGDS-WBVHZDCISA-N 1 0 332.394 4.434 20 30 EIEDRO C[C@@H](C[NH2+]Cc1nc(C#N)cs1)c1c(Cl)cccc1Cl ZINC000581950392 1021891820 /nfs/dbraw/zinc/89/18/20/1021891820.db2.gz BHVWURLTFOTZQE-VIFPVBQESA-N 1 0 326.252 4.215 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2c3ccc(F)cc3O[C@H]2C)cc1OC ZINC000580357116 1021897874 /nfs/dbraw/zinc/89/78/74/1021897874.db2.gz XQPSERWYPYHOGD-RNODOKPDSA-N 1 0 343.398 4.011 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000582479368 1021947407 /nfs/dbraw/zinc/94/74/07/1021947407.db2.gz UZUUAKJKNSNLCL-WMZOPIPTSA-N 1 0 330.353 4.298 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000414165381 1022008526 /nfs/dbraw/zinc/00/85/26/1022008526.db2.gz LSQMHMXRXZLAJU-ZDUSSCGKSA-N 1 0 325.225 4.105 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000415679386 1022013446 /nfs/dbraw/zinc/01/34/46/1022013446.db2.gz YNYNLZHFPVDCFK-AZUAARDMSA-N 1 0 341.499 4.191 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000414168825 1022018955 /nfs/dbraw/zinc/01/89/55/1022018955.db2.gz RDTPXIATOJZWJT-CQSZACIVSA-N 1 0 325.225 4.105 20 30 EIEDRO C#CC[N@H+](CC1CCCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001167420427 1022243049 /nfs/dbraw/zinc/24/30/49/1022243049.db2.gz DVHUGCVMJSQPOI-QGZVFWFLSA-N 1 0 348.284 4.398 20 30 EIEDRO N#Cc1csc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000380153352 1022354972 /nfs/dbraw/zinc/35/49/72/1022354972.db2.gz SLOUPGMFNBYBDZ-GOSISDBHSA-N 1 0 339.508 4.012 20 30 EIEDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000481118646 1022477978 /nfs/dbraw/zinc/47/79/78/1022477978.db2.gz PYWUBBPIPJFWPF-LBPRGKRZSA-N 1 0 341.318 4.284 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000180335901 1022562037 /nfs/dbraw/zinc/56/20/37/1022562037.db2.gz LWVYWCRWWTVSMN-UHFFFAOYSA-N 1 0 343.386 4.423 20 30 EIEDRO C=CCC[C@@H]([NH2+]C1CCS(=O)CC1)c1ccc(C(F)(F)F)cc1 ZINC000893185665 1022568344 /nfs/dbraw/zinc/56/83/44/1022568344.db2.gz ZTQPGWIHVGQFLP-IOXSGPKDSA-N 1 0 345.430 4.213 20 30 EIEDRO C=C[C@H](CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000533912701 1022600110 /nfs/dbraw/zinc/60/01/10/1022600110.db2.gz VQNFMTITGKHAQI-IRLDBZIGSA-N 1 0 348.490 4.127 20 30 EIEDRO C[C@@H](Cc1ccsc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000541221616 1022606352 /nfs/dbraw/zinc/60/63/52/1022606352.db2.gz UQMMMAYBYNXRHM-HNNXBMFYSA-N 1 0 326.465 4.094 20 30 EIEDRO COC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cccc(Cl)c1 ZINC000580885476 1022651995 /nfs/dbraw/zinc/65/19/95/1022651995.db2.gz MULDIVSUYNFYDH-RTBURBONSA-N 1 0 326.827 4.176 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000181680430 1022694850 /nfs/dbraw/zinc/69/48/50/1022694850.db2.gz BYDDBNSZNXAQJE-HNNXBMFYSA-N 1 0 326.415 4.356 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(OC(F)(F)F)c1 ZINC000177861582 1022727611 /nfs/dbraw/zinc/72/76/11/1022727611.db2.gz JISSVDMVAKPWCS-LLVKDONJSA-N 1 0 338.304 4.447 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)CC2 ZINC000580945046 1022730080 /nfs/dbraw/zinc/73/00/80/1022730080.db2.gz UFXDNIRNMSDAPH-SFHVURJKSA-N 1 0 346.352 4.233 20 30 EIEDRO C[C@@H](c1cccc(O)c1)N(C)Cc1ccc(C#N)cc1Br ZINC000181171978 1022893881 /nfs/dbraw/zinc/89/38/81/1022893881.db2.gz QSUUFHFCNQOELZ-LBPRGKRZSA-N 1 0 345.240 4.219 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000177685857 1023022704 /nfs/dbraw/zinc/02/27/04/1023022704.db2.gz TYEMXNRLDGPEPH-UHFFFAOYSA-N 1 0 334.444 4.489 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(Cl)nc1 ZINC000181395001 1023031538 /nfs/dbraw/zinc/03/15/38/1023031538.db2.gz RONPVCAHEBOQLV-CYBMUJFWSA-N 1 0 331.872 4.191 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)c1cccc(C#N)c1 ZINC000189767714 1023143178 /nfs/dbraw/zinc/14/31/78/1023143178.db2.gz UFKFTQPWYUOBJM-KRWDZBQOSA-N 1 0 335.451 4.278 20 30 EIEDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541091144 1023162539 /nfs/dbraw/zinc/16/25/39/1023162539.db2.gz YMYDRYNJHXTMKZ-INIZCTEOSA-N 1 0 330.435 4.292 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001167461230 1023206630 /nfs/dbraw/zinc/20/66/30/1023206630.db2.gz CHXBWRNJFMYHBA-CYBMUJFWSA-N 1 0 326.843 4.484 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC001167461739 1023213576 /nfs/dbraw/zinc/21/35/76/1023213576.db2.gz QKOIULWHJPBQIU-UHFFFAOYSA-N 1 0 329.444 4.232 20 30 EIEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417395195 1023302261 /nfs/dbraw/zinc/30/22/61/1023302261.db2.gz VYHTZQDOLYZGOJ-HRAATJIYSA-N 1 0 347.462 4.251 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)c1ccc(C#N)cc1 ZINC000377080649 1023365695 /nfs/dbraw/zinc/36/56/95/1023365695.db2.gz UXPWBSCXSZVQKL-HXUWFJFHSA-N 1 0 348.425 4.432 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)cc1 ZINC000175911862 1023415086 /nfs/dbraw/zinc/41/50/86/1023415086.db2.gz QOEMHOCMKXCMES-KBXCAEBGSA-N 1 0 325.843 4.141 20 30 EIEDRO C=CCC[C@@H](NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000417909477 1023450255 /nfs/dbraw/zinc/45/02/55/1023450255.db2.gz IBPDEUBHDGAWOW-OXQOHEQNSA-N 1 0 337.467 4.213 20 30 EIEDRO CC[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccsc1 ZINC000584511746 1023458913 /nfs/dbraw/zinc/45/89/13/1023458913.db2.gz PKAUJXKICQVQEK-DAWZGUTISA-N 1 0 341.480 4.446 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000538187527 1023499965 /nfs/dbraw/zinc/49/99/65/1023499965.db2.gz HJGAJGOXSKTFAP-QUCCMNQESA-N 1 0 325.839 4.059 20 30 EIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@H](C)CCC#N)CC2)cc1 ZINC000472763578 1023522986 /nfs/dbraw/zinc/52/29/86/1023522986.db2.gz ATYXWYSECGSMMK-QGZVFWFLSA-N 1 0 326.484 4.472 20 30 EIEDRO CSc1ccc(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)cc1C#N ZINC000926868061 1023532441 /nfs/dbraw/zinc/53/24/41/1023532441.db2.gz GZDGDMTYYGGEQM-MRXNPFEDSA-N 1 0 343.883 4.496 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000418143935 1023556571 /nfs/dbraw/zinc/55/65/71/1023556571.db2.gz JONJBCHBYQVOHK-JOCHJYFZSA-N 1 0 345.446 4.408 20 30 EIEDRO COc1ccc2nc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)sc2c1 ZINC000418145192 1023559603 /nfs/dbraw/zinc/55/96/03/1023559603.db2.gz MJAFKHHHFMHOQR-QGZVFWFLSA-N 1 0 349.459 4.344 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000418146119 1023564773 /nfs/dbraw/zinc/56/47/73/1023564773.db2.gz OUKWFPYQXHSQJX-SFHVURJKSA-N 1 0 346.352 4.450 20 30 EIEDRO N#Cc1ccc2ncc(C[N@@H+]3CCCCC[C@@H]3c3ccccc3)n2c1 ZINC000510450032 1023596903 /nfs/dbraw/zinc/59/69/03/1023596903.db2.gz QNKXLMITBZVKHH-HXUWFJFHSA-N 1 0 330.435 4.323 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c(C)nn(C(C)C)c2C)c1 ZINC000892971656 1023617458 /nfs/dbraw/zinc/61/74/58/1023617458.db2.gz BGWXKWHSZSVHTI-SFHVURJKSA-N 1 0 340.471 4.052 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000728706282 1023656657 /nfs/dbraw/zinc/65/66/57/1023656657.db2.gz ODISEICHVUTJET-UHFFFAOYSA-N 1 0 348.425 4.431 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000377671820 1023672078 /nfs/dbraw/zinc/67/20/78/1023672078.db2.gz JAHFPKDOGFLVEV-UHFFFAOYSA-N 1 0 335.382 4.218 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000415581613 1023706317 /nfs/dbraw/zinc/70/63/17/1023706317.db2.gz NQBREECAZAYKLC-YJBOKZPZSA-N 1 0 329.488 4.130 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000415586445 1023710481 /nfs/dbraw/zinc/71/04/81/1023710481.db2.gz VTJUMROOTDUGRI-YJBOKZPZSA-N 1 0 329.488 4.272 20 30 EIEDRO C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000644803234 1023736024 /nfs/dbraw/zinc/73/60/24/1023736024.db2.gz KRJRIIYMVGIPLL-XUVXKRRUSA-N 1 0 340.511 4.006 20 30 EIEDRO COc1ccccc1C(C)(C)C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728712127 1023757351 /nfs/dbraw/zinc/75/73/51/1023757351.db2.gz VAMGFZJARGCZMA-MRXNPFEDSA-N 1 0 338.451 4.053 20 30 EIEDRO CC(C)OCc1ccccc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728711968 1023762001 /nfs/dbraw/zinc/76/20/01/1023762001.db2.gz PYGOBQRYTFMSOP-QGZVFWFLSA-N 1 0 338.451 4.192 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1OC(F)F ZINC000728713161 1023762658 /nfs/dbraw/zinc/76/26/58/1023762658.db2.gz PSTLTZMZTAGFAS-UONOGXRCSA-N 1 0 346.377 4.430 20 30 EIEDRO Cc1ccc(-c2nc(CC[NH2+][C@H](C)c3ccc(C#N)cc3)co2)cc1 ZINC000181652357 1023765934 /nfs/dbraw/zinc/76/59/34/1023765934.db2.gz NCOLAEHGCXNFQW-MRXNPFEDSA-N 1 0 331.419 4.415 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000178178973 1023780852 /nfs/dbraw/zinc/78/08/52/1023780852.db2.gz YAYHZWGQIVREAZ-FGSXEWAUSA-N 1 0 333.479 4.262 20 30 EIEDRO COc1cc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@@H]2C)ccc1C#N ZINC000500399899 1023792707 /nfs/dbraw/zinc/79/27/07/1023792707.db2.gz QJXNDACWFDKHTL-ORAYPTAESA-N 1 0 326.827 4.245 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1ccc(Cl)c(C#N)n1)c1ccsc1 ZINC000301166521 1023853247 /nfs/dbraw/zinc/85/32/47/1023853247.db2.gz HVJFMQHYMCMUDW-OAHLLOKOSA-N 1 0 334.876 4.163 20 30 EIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000430744738 1024000844 /nfs/dbraw/zinc/00/08/44/1024000844.db2.gz VUNXXBVLRMUVHM-SNVBAGLBSA-N 1 0 346.324 4.234 20 30 EIEDRO CCC[N@H+](CCCCC#N)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000198681054 1024002475 /nfs/dbraw/zinc/00/24/75/1024002475.db2.gz FVOFLXKXRBOJQR-UHFFFAOYSA-N 1 0 342.270 4.338 20 30 EIEDRO CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CC1(CC#N)CC1 ZINC000430745320 1024003607 /nfs/dbraw/zinc/00/36/07/1024003607.db2.gz YRIBFUCFQFQOKF-INIZCTEOSA-N 1 0 335.289 4.444 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)C1 ZINC000651784249 1024019692 /nfs/dbraw/zinc/01/96/92/1024019692.db2.gz HXHNUUULFXDQGY-SQWLQELKSA-N 1 0 327.428 4.141 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)o1 ZINC000093015142 1024041151 /nfs/dbraw/zinc/04/11/51/1024041151.db2.gz YIEKSLBWFCJIDH-UHFFFAOYSA-N 1 0 346.430 4.125 20 30 EIEDRO N#CCCCCC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000594056482 1024044209 /nfs/dbraw/zinc/04/42/09/1024044209.db2.gz VUXKIKUYWAKKQM-UHFFFAOYSA-N 1 0 345.512 4.287 20 30 EIEDRO CO[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1Cl ZINC000124994293 1024045537 /nfs/dbraw/zinc/04/55/37/1024045537.db2.gz DHGQGGNGJBYMON-LIRRHRJNSA-N 1 0 344.842 4.108 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000594496093 1024092089 /nfs/dbraw/zinc/09/20/89/1024092089.db2.gz GMUWVRGCEXHUAH-IBGZPJMESA-N 1 0 339.483 4.253 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000651902510 1024192295 /nfs/dbraw/zinc/19/22/95/1024192295.db2.gz NUCXNDONJOXGSR-UHFFFAOYSA-N 1 0 329.337 4.118 20 30 EIEDRO CC(C)c1ccc2c(c1)C[N@@H+](CCCC1(C#N)CCOCC1)CC2 ZINC000595659276 1024293561 /nfs/dbraw/zinc/29/35/61/1024293561.db2.gz ZSQZPCVCLCNNHY-UHFFFAOYSA-N 1 0 326.484 4.269 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1 ZINC000341699139 1024348759 /nfs/dbraw/zinc/34/87/59/1024348759.db2.gz QZULDEUFIVPASX-AOMKIAJQSA-N 1 0 342.446 4.472 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCC(CC#N)CC1 ZINC000893487243 1024352100 /nfs/dbraw/zinc/35/21/00/1024352100.db2.gz LKUUXKMOUUPJNU-UHFFFAOYSA-N 1 0 335.473 4.221 20 30 EIEDRO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000093559101 1024586373 /nfs/dbraw/zinc/58/63/73/1024586373.db2.gz KPQICDHPDHZIOM-GOSISDBHSA-N 1 0 334.423 4.225 20 30 EIEDRO C=CCC1([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)CCCC1 ZINC000661848141 1024600561 /nfs/dbraw/zinc/60/05/61/1024600561.db2.gz ICZUKNVIHCPUKS-UHFFFAOYSA-N 1 0 326.484 4.291 20 30 EIEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341755762 1024607995 /nfs/dbraw/zinc/60/79/95/1024607995.db2.gz ADTNAJAZGUJDHZ-XOBRGWDASA-N 1 0 336.435 4.304 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(c2ccccc2)CC1 ZINC000341758701 1024616558 /nfs/dbraw/zinc/61/65/58/1024616558.db2.gz BJUSHLOMYFYALK-QFIPXVFZSA-N 1 0 331.463 4.194 20 30 EIEDRO C[N@H+](CCC(C)(C)C#N)CC1(c2ccc(Br)cc2)CC1 ZINC000535663452 1024661621 /nfs/dbraw/zinc/66/16/21/1024661621.db2.gz BFXCBIBDIPHTFE-UHFFFAOYSA-N 1 0 335.289 4.352 20 30 EIEDRO CCN(Cc1ccc(OCc2ccccc2)c(OC)c1)C[C@H](C)C#N ZINC000091983797 1024710209 /nfs/dbraw/zinc/71/02/09/1024710209.db2.gz GPRDUCTVZSKQJQ-QGZVFWFLSA-N 1 0 338.451 4.256 20 30 EIEDRO CC(C)(C#N)c1ccccc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000487372319 1024818787 /nfs/dbraw/zinc/81/87/87/1024818787.db2.gz ACMYMPWLZKRQSM-UHFFFAOYSA-N 1 0 347.506 4.196 20 30 EIEDRO C=CC[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000188306533 1024934625 /nfs/dbraw/zinc/93/46/25/1024934625.db2.gz TWUHJJQEVWIHED-QUCCMNQESA-N 1 0 328.500 4.117 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000926309382 1024951791 /nfs/dbraw/zinc/95/17/91/1024951791.db2.gz ATSKXSGPMPFPJW-CQSZACIVSA-N 1 0 327.403 4.431 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1ccc(C#N)cc1Cl ZINC000366007085 1024999215 /nfs/dbraw/zinc/99/92/15/1024999215.db2.gz HJVDZGQEQOOZJE-CQSZACIVSA-N 1 0 336.826 4.248 20 30 EIEDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000610812491 1025009756 /nfs/dbraw/zinc/00/97/56/1025009756.db2.gz GNHMATFLZIDAQX-ZDUSSCGKSA-N 1 0 348.368 4.410 20 30 EIEDRO Cc1ccc([C@H](Cc2ccccc2)[NH2+]C2CCN(CC#N)CC2)cc1C ZINC000610813309 1025025206 /nfs/dbraw/zinc/02/52/06/1025025206.db2.gz CDGACRFWAQSGEZ-QHCPKHFHSA-N 1 0 347.506 4.165 20 30 EIEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000610814049 1025050205 /nfs/dbraw/zinc/05/02/05/1025050205.db2.gz ZWKVMIVLFONDTC-KRWDZBQOSA-N 1 0 335.451 4.117 20 30 EIEDRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610829677 1025052472 /nfs/dbraw/zinc/05/24/72/1025052472.db2.gz DNQDBDRCGLJDII-ZIAGYGMSSA-N 1 0 341.842 4.280 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)CC(F)(F)F)cc1OC ZINC000663355472 1025175499 /nfs/dbraw/zinc/17/54/99/1025175499.db2.gz STMUJQFXENBBHJ-UHFFFAOYSA-N 1 0 331.378 4.328 20 30 EIEDRO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000150852628 1025219865 /nfs/dbraw/zinc/21/98/65/1025219865.db2.gz RETYONIMDPHWBN-FUHWJXTLSA-N 1 0 332.513 4.016 20 30 EIEDRO CCCN(Cc1ccnc(C#N)c1)Cc1ccccc1Br ZINC000610991918 1025225714 /nfs/dbraw/zinc/22/57/14/1025225714.db2.gz WLZDPEBVFPPCRV-UHFFFAOYSA-N 1 0 344.256 4.128 20 30 EIEDRO C=C(C)[C@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)OCC ZINC000535896961 1025231125 /nfs/dbraw/zinc/23/11/25/1025231125.db2.gz TWIVAOPPFMBRMS-FQEVSTJZSA-N 1 0 344.499 4.228 20 30 EIEDRO C=C[C@H](CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000181549610 1025240643 /nfs/dbraw/zinc/24/06/43/1025240643.db2.gz VUIXTNLYDGTNFH-GGPKGHCWSA-N 1 0 340.511 4.116 20 30 EIEDRO C[C@@H]1C[N@@H+](Cc2cccc(NCC(C)(C)CCC#N)c2)C[C@H](C)O1 ZINC000151179449 1025271300 /nfs/dbraw/zinc/27/13/00/1025271300.db2.gz PEQLSWZFRBWART-CALCHBBNSA-N 1 0 329.488 4.038 20 30 EIEDRO C#CCCOc1ccc(CN[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000236686226 1025277661 /nfs/dbraw/zinc/27/76/61/1025277661.db2.gz FEDLRZHTVLJZOW-HSZRJFAPSA-N 1 0 348.490 4.015 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCCC1 ZINC000105423696 1025363634 /nfs/dbraw/zinc/36/36/34/1025363634.db2.gz CBAQVDBZMLKRDI-UHFFFAOYSA-N 1 0 333.863 4.195 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1O ZINC000277238195 1025369875 /nfs/dbraw/zinc/36/98/75/1025369875.db2.gz NZQZALSMXSFJFK-QFBILLFUSA-N 1 0 338.451 4.357 20 30 EIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000538398906 1025391119 /nfs/dbraw/zinc/39/11/19/1025391119.db2.gz WZTRWOXKJMSMRI-VGOFRKELSA-N 1 0 333.479 4.046 20 30 EIEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCc2csc(C(C)C)n2)cc1 ZINC000104182785 1025779665 /nfs/dbraw/zinc/77/96/65/1025779665.db2.gz MJRWLDFUCKJAPP-UHFFFAOYSA-N 1 0 346.500 4.023 20 30 EIEDRO C[C@H](c1cccc(O)c1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440403637 1025860048 /nfs/dbraw/zinc/86/00/48/1025860048.db2.gz GCYGJDREMGOCIM-CQSZACIVSA-N 1 0 349.352 4.335 20 30 EIEDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cscc3C#N)cc2)CC1 ZINC000432398624 1025860225 /nfs/dbraw/zinc/86/02/25/1025860225.db2.gz DTNYYSHZJCGLJJ-UHFFFAOYSA-N 1 0 339.464 4.104 20 30 EIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1OC ZINC000539252355 1025891963 /nfs/dbraw/zinc/89/19/63/1025891963.db2.gz JWVIDVCTYBYFIB-AWEZNQCLSA-N 1 0 342.414 4.346 20 30 EIEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)c2ccc(-c3ccccc3)cc2)C1=O ZINC001167522295 1025907949 /nfs/dbraw/zinc/90/79/49/1025907949.db2.gz XNWYLWBSTHWFQD-UWJYYQICSA-N 1 0 334.463 4.133 20 30 EIEDRO C[NH+](C)Cc1ccc(Br)c(N[C@H]2CC[C@H](C#N)CC2)c1 ZINC001167844758 1025990940 /nfs/dbraw/zinc/99/09/40/1025990940.db2.gz AUSKGUKBTQIODT-MQMHXKEQSA-N 1 0 336.277 4.005 20 30 EIEDRO Cc1ccccc1[C@H](NCc1ncc(C#N)cn1)[C@H]1CCC[C@@H](C)C1 ZINC000582052784 1026036920 /nfs/dbraw/zinc/03/69/20/1026036920.db2.gz SJCPXQCBXIEEHK-FYINFDKHSA-N 1 0 334.467 4.314 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)c1ccc(F)c(F)c1 ZINC000894487892 1026037926 /nfs/dbraw/zinc/03/79/26/1026037926.db2.gz NLPFMAZZOGZXRN-GOSISDBHSA-N 1 0 333.378 4.394 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2)ccc1C#N ZINC000234937785 1026143155 /nfs/dbraw/zinc/14/31/55/1026143155.db2.gz OSVHPODWHSIRSX-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000120697448 1026213366 /nfs/dbraw/zinc/21/33/66/1026213366.db2.gz LCIMCRXLUYNGPN-OFNKIYASSA-N 1 0 349.474 4.346 20 30 EIEDRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCC#N)cc1 ZINC000344324037 1026245208 /nfs/dbraw/zinc/24/52/08/1026245208.db2.gz FRDQVPIVFXXIED-UHFFFAOYSA-N 1 0 330.435 4.241 20 30 EIEDRO COc1cc(C[NH2+]CCCC#N)ccc1OCc1ccc(Cl)cc1 ZINC000344329533 1026252902 /nfs/dbraw/zinc/25/29/02/1026252902.db2.gz SRHOEQNZDSODKB-UHFFFAOYSA-N 1 0 344.842 4.321 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCCC3(CCCC3)C2)c(-c2ccncc2)n1 ZINC000582159633 1026282716 /nfs/dbraw/zinc/28/27/16/1026282716.db2.gz DPAMCMWNPHJFGZ-UHFFFAOYSA-N 1 0 349.482 4.015 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)cc1OCCCC#N ZINC000344436327 1026395869 /nfs/dbraw/zinc/39/58/69/1026395869.db2.gz NCPVCBLZAXEOAV-VQFNDLOPSA-N 1 0 330.472 4.292 20 30 EIEDRO N#CCCCC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109791998 1026444644 /nfs/dbraw/zinc/44/46/44/1026444644.db2.gz JMFPVPXQKWCHGL-SFHVURJKSA-N 1 0 326.419 4.437 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000540705181 1026466332 /nfs/dbraw/zinc/46/63/32/1026466332.db2.gz CCKFWBAIEDQCCH-BFUOFWGJSA-N 1 0 345.849 4.304 20 30 EIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000540705453 1026467513 /nfs/dbraw/zinc/46/75/13/1026467513.db2.gz GMXKEPIPZPOKOF-KZULUSFZSA-N 1 0 332.806 4.389 20 30 EIEDRO C=CCC(C)(C)CNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000432557368 1026510477 /nfs/dbraw/zinc/51/04/77/1026510477.db2.gz MCOWGKNUIZMVSC-UHFFFAOYSA-N 1 0 337.552 4.132 20 30 EIEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)Oc1cccc(Br)c1 ZINC000344662241 1026519452 /nfs/dbraw/zinc/51/94/52/1026519452.db2.gz GIYJHTXBBZSBNW-ZDUSSCGKSA-N 1 0 339.277 4.136 20 30 EIEDRO C=CCC(C)(C)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000432559011 1026525574 /nfs/dbraw/zinc/52/55/74/1026525574.db2.gz QFSMGPPHUKJZTF-RDJZCZTQSA-N 1 0 349.544 4.033 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000512282094 1026642134 /nfs/dbraw/zinc/64/21/34/1026642134.db2.gz UAYKNJGAFDUSBY-LLVKDONJSA-N 1 0 347.777 4.152 20 30 EIEDRO CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000119851913 1026701340 /nfs/dbraw/zinc/70/13/40/1026701340.db2.gz YRAVOUJURYDCNE-OAHLLOKOSA-N 1 0 334.423 4.433 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)cc1 ZINC000479250237 1026792632 /nfs/dbraw/zinc/79/26/32/1026792632.db2.gz IFQRRZNHBJRRBL-XJKSGUPXSA-N 1 0 343.833 4.280 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000512359515 1026803966 /nfs/dbraw/zinc/80/39/66/1026803966.db2.gz HTVINJQVOSCNEH-BZPMIXESSA-N 1 0 344.318 4.451 20 30 EIEDRO CC[C@@](C)(C#N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000507488409 1026815225 /nfs/dbraw/zinc/81/52/25/1026815225.db2.gz UUFXCHZQIANPGA-NRFANRHFSA-N 1 0 341.499 4.007 20 30 EIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000479491155 1026821913 /nfs/dbraw/zinc/82/19/13/1026821913.db2.gz UWOKFMABSRYIQO-UZLBHIALSA-N 1 0 340.442 4.386 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCOc2ccc(F)cc2)CC1 ZINC000507619440 1026855021 /nfs/dbraw/zinc/85/50/21/1026855021.db2.gz HCYMPPFMZKCYQS-UHFFFAOYSA-N 1 0 338.426 4.198 20 30 EIEDRO COCc1ccccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507633578 1026859368 /nfs/dbraw/zinc/85/93/68/1026859368.db2.gz CKFQMQORLSMCSB-UHFFFAOYSA-N 1 0 334.463 4.327 20 30 EIEDRO CC(C)CC[C@](C)(O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507646600 1026864405 /nfs/dbraw/zinc/86/44/05/1026864405.db2.gz YEGYURBIURPHIT-KBWCOIMZSA-N 1 0 328.500 4.167 20 30 EIEDRO CC(C)C[NH+]1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000427510265 1026874682 /nfs/dbraw/zinc/87/46/82/1026874682.db2.gz WRDAUEPJEYZFDI-UHFFFAOYSA-N 1 0 325.378 4.109 20 30 EIEDRO CC(C)(C)C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342736370 1026919404 /nfs/dbraw/zinc/91/94/04/1026919404.db2.gz WXZYYHISGJZVDI-IBGZPJMESA-N 1 0 332.451 4.473 20 30 EIEDRO C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000480020827 1026944621 /nfs/dbraw/zinc/94/46/21/1026944621.db2.gz OFZORPKVJKMACR-KRWDZBQOSA-N 1 0 344.462 4.242 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000342797971 1027040297 /nfs/dbraw/zinc/04/02/97/1027040297.db2.gz SWEOLZPYJKGIFY-XLIONFOSSA-N 1 0 343.492 4.146 20 30 EIEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1C ZINC000507730019 1027081712 /nfs/dbraw/zinc/08/17/12/1027081712.db2.gz BSHBSSXGHRVETM-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO Fc1cc(C[NH2+]CCSCC(F)(F)F)cc(C(F)(F)F)c1 ZINC000536703971 1027208763 /nfs/dbraw/zinc/20/87/63/1027208763.db2.gz JTHOQGKXTRNUCI-UHFFFAOYSA-N 1 0 335.288 4.230 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000520213381 1027325621 /nfs/dbraw/zinc/32/56/21/1027325621.db2.gz AICDZVAPRUTNMK-RXVVDRJESA-N 1 0 336.479 4.177 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1OCCCC#N ZINC000119996546 1027429820 /nfs/dbraw/zinc/42/98/20/1027429820.db2.gz LNFHSDSIFCJZBI-QGZVFWFLSA-N 1 0 340.423 4.138 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000441342239 1027480808 /nfs/dbraw/zinc/48/08/08/1027480808.db2.gz YDRXYMSUGMYLLD-UHFFFAOYSA-N 1 0 328.790 4.361 20 30 EIEDRO CCOC(C)(C)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000186533462 1027502715 /nfs/dbraw/zinc/50/27/15/1027502715.db2.gz LVVSVRSCRRJSLO-UHFFFAOYSA-N 1 0 338.451 4.042 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000102676844 1027515969 /nfs/dbraw/zinc/51/59/69/1027515969.db2.gz VJPDBRYUIHCNIF-OAHLLOKOSA-N 1 0 326.465 4.254 20 30 EIEDRO C=CCC[C@H](O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000441395879 1027518019 /nfs/dbraw/zinc/51/80/19/1027518019.db2.gz NVEOCAVWYMXECQ-HNNXBMFYSA-N 1 0 325.905 4.224 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CCSCC1 ZINC000474820273 1027530144 /nfs/dbraw/zinc/53/01/44/1027530144.db2.gz FSVJSSVOYYIPCO-VNCLNFNDSA-N 1 0 344.524 4.370 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1Cl ZINC000657692842 1027583657 /nfs/dbraw/zinc/58/36/57/1027583657.db2.gz FSFPRLBZMOMUDN-SFHVURJKSA-N 1 0 329.827 4.388 20 30 EIEDRO COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000329156558 1027614257 /nfs/dbraw/zinc/61/42/57/1027614257.db2.gz VSBCDZCKJUFZCQ-CABCVRRESA-N 1 0 346.471 4.192 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)CC2 ZINC000582934124 1027717201 /nfs/dbraw/zinc/71/72/01/1027717201.db2.gz BSQLGSHVZXJTJR-AQNXPRMDSA-N 1 0 338.838 4.319 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccccc1 ZINC000347332126 1027731190 /nfs/dbraw/zinc/73/11/90/1027731190.db2.gz KXQLXSLLKNQUBN-HXUWFJFHSA-N 1 0 343.492 4.277 20 30 EIEDRO Cc1noc(C)c1NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329414320 1027768790 /nfs/dbraw/zinc/76/87/90/1027768790.db2.gz COJWKDQBVJKMMZ-HNNXBMFYSA-N 1 0 342.443 4.386 20 30 EIEDRO Cc1cc(C)c(NC(=O)CNC(=O)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000329425736 1027774134 /nfs/dbraw/zinc/77/41/34/1027774134.db2.gz GWEDANTYKIXBOE-KRWDZBQOSA-N 1 0 345.487 4.421 20 30 EIEDRO NC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000328619031 1027781527 /nfs/dbraw/zinc/78/15/27/1027781527.db2.gz VPEOAALKULWGMK-HLLBOEOZSA-N 1 0 335.492 4.082 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000328636785 1027781985 /nfs/dbraw/zinc/78/19/85/1027781985.db2.gz AMJOKLNVZGDERM-NNPSNHGLSA-N 1 0 336.520 4.095 20 30 EIEDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328710514 1027798374 /nfs/dbraw/zinc/79/83/74/1027798374.db2.gz RBEFGMPOMKVUJV-ZOBUZTSGSA-N 1 0 343.471 4.032 20 30 EIEDRO C=C(C)[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C)c1ccc(F)c(F)c1 ZINC000474932084 1027799362 /nfs/dbraw/zinc/79/93/62/1027799362.db2.gz SOFZBHWOXCLLHJ-REHIUZFUSA-N 1 0 337.410 4.149 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)C1 ZINC000328737785 1027800787 /nfs/dbraw/zinc/80/07/87/1027800787.db2.gz HEEHIUBYMIXZKW-HNJNHCNJSA-N 1 0 343.858 4.429 20 30 EIEDRO O=C(Nc1ncc(C2CCCCC2)s1)NC1CC[NH+](C2CC2)CC1 ZINC000329464448 1027801342 /nfs/dbraw/zinc/80/13/42/1027801342.db2.gz RBUMQCIODLFJFF-UHFFFAOYSA-N 1 0 348.516 4.144 20 30 EIEDRO C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000329470517 1027805019 /nfs/dbraw/zinc/80/50/19/1027805019.db2.gz YXJLZLUBILREMJ-RHSMWYFYSA-N 1 0 338.455 4.155 20 30 EIEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H](C)c1nccs1 ZINC000305829402 1027810762 /nfs/dbraw/zinc/81/07/62/1027810762.db2.gz SPFUNUPVOBQLGQ-INIZCTEOSA-N 1 0 344.528 4.091 20 30 EIEDRO COc1cc2nc(C)sc2cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000328787936 1027815039 /nfs/dbraw/zinc/81/50/39/1027815039.db2.gz XKMDUVTWKHEJRS-UHFFFAOYSA-N 1 0 345.468 4.076 20 30 EIEDRO C=CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000520984399 1027820755 /nfs/dbraw/zinc/82/07/55/1027820755.db2.gz LNSPUNNWXFLYQG-UHFFFAOYSA-N 1 0 325.387 4.014 20 30 EIEDRO CC(C)c1nnc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000328987049 1027841827 /nfs/dbraw/zinc/84/18/27/1027841827.db2.gz HGNSPFQRRAUXDG-UKRRQHHQSA-N 1 0 344.484 4.018 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000444591780 1027878659 /nfs/dbraw/zinc/87/86/59/1027878659.db2.gz HRYSPEHGGSRPMT-UHFFFAOYSA-N 1 0 333.907 4.178 20 30 EIEDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444596584 1027880623 /nfs/dbraw/zinc/88/06/23/1027880623.db2.gz LQJCZZLVSYSTDI-KNQAVFIVSA-N 1 0 348.490 4.122 20 30 EIEDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444596585 1027881408 /nfs/dbraw/zinc/88/14/08/1027881408.db2.gz LQJCZZLVSYSTDI-SIKLNZKXSA-N 1 0 348.490 4.122 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)CC(F)(F)F ZINC000840960058 1027883283 /nfs/dbraw/zinc/88/32/83/1027883283.db2.gz DAIOEKALOAENEP-CQSZACIVSA-N 1 0 327.394 4.105 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000583052873 1027895418 /nfs/dbraw/zinc/89/54/18/1027895418.db2.gz LAJBKDNIOFSVMH-AWEZNQCLSA-N 1 0 345.512 4.114 20 30 EIEDRO C=CC[C@H]1N(C(=O)c2cccc(C[NH+]3CCCC3)c2)CCCC1(C)C ZINC000444632605 1027909681 /nfs/dbraw/zinc/90/96/81/1027909681.db2.gz GORXRDVJCCFYRQ-HXUWFJFHSA-N 1 0 340.511 4.489 20 30 EIEDRO CC(C)(C#N)CCCC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000444654694 1027923548 /nfs/dbraw/zinc/92/35/48/1027923548.db2.gz PKJUPUKHYIDQLI-FQEVSTJZSA-N 1 0 328.500 4.468 20 30 EIEDRO CC(C)c1ncc(C[NH2+]CCSCc2ccccc2C#N)s1 ZINC000343035977 1027943702 /nfs/dbraw/zinc/94/37/02/1027943702.db2.gz XHZLWNFYXYYADM-UHFFFAOYSA-N 1 0 331.510 4.161 20 30 EIEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000444668372 1027952811 /nfs/dbraw/zinc/95/28/11/1027952811.db2.gz USMDUWAZKDZHON-HOCLYGCPSA-N 1 0 333.501 4.076 20 30 EIEDRO C[C@@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCOC1 ZINC000444671606 1027957434 /nfs/dbraw/zinc/95/74/34/1027957434.db2.gz CQUZRLLMYSGJOO-WOJBJXKFSA-N 1 0 348.490 4.291 20 30 EIEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000329671728 1027969163 /nfs/dbraw/zinc/96/91/63/1027969163.db2.gz UFQKMYASMWWMSV-UWWQBHOKSA-N 1 0 325.456 4.198 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000444689800 1027974052 /nfs/dbraw/zinc/97/40/52/1027974052.db2.gz PHUDHZLWOQLPCQ-FGZHOGPDSA-N 1 0 348.490 4.122 20 30 EIEDRO CC(C)(C)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000522556279 1028000726 /nfs/dbraw/zinc/00/07/26/1028000726.db2.gz XGRXNDQULAMXSI-GOSISDBHSA-N 1 0 341.499 4.081 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444728481 1028003554 /nfs/dbraw/zinc/00/35/54/1028003554.db2.gz GBKBSIIYIPBIMD-XLIONFOSSA-N 1 0 325.452 4.243 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3cccc(Cl)c3)C1)CC2 ZINC000583114120 1028026928 /nfs/dbraw/zinc/02/69/28/1028026928.db2.gz WUFQPOHSYWDGBV-FXAWDEMLSA-N 1 0 337.854 4.067 20 30 EIEDRO N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000127868660 1028067104 /nfs/dbraw/zinc/06/71/04/1028067104.db2.gz HICJOZGVGQHLQP-RHSMWYFYSA-N 1 0 349.400 4.030 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000439594685 1028066911 /nfs/dbraw/zinc/06/69/11/1028066911.db2.gz XGFJMCCPNXHJLW-OLZOCXBDSA-N 1 0 333.863 4.097 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000178795433 1028111854 /nfs/dbraw/zinc/11/18/54/1028111854.db2.gz LFRRRCIVRKMQMN-ZDUSSCGKSA-N 1 0 342.389 4.476 20 30 EIEDRO N#CCSCCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000123846249 1028125208 /nfs/dbraw/zinc/12/52/08/1028125208.db2.gz LBVRJVOHYMKUDK-OALUTQOASA-N 1 0 332.513 4.002 20 30 EIEDRO CC(C)(C)C(=O)NC1CCC(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000329882933 1028147912 /nfs/dbraw/zinc/14/79/12/1028147912.db2.gz QLNHIELUBPPZES-BHUNQDJPSA-N 1 0 349.519 4.131 20 30 EIEDRO CC[N@H+](Cc1cc(-n2ccnc2)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000346129722 1028268409 /nfs/dbraw/zinc/26/84/09/1028268409.db2.gz GWTHUSRFIHEKAF-HNNXBMFYSA-N 1 0 336.464 4.389 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(C)cc2OC(C)(C)C)ccc1C#N ZINC000440626251 1028269099 /nfs/dbraw/zinc/26/90/99/1028269099.db2.gz FJBLMNVDZOQWRT-UHFFFAOYSA-N 1 0 338.451 4.342 20 30 EIEDRO CSc1ccccc1[C@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC000440631846 1028272747 /nfs/dbraw/zinc/27/27/47/1028272747.db2.gz ZZZSVLRACNIEKH-HNNXBMFYSA-N 1 0 326.465 4.400 20 30 EIEDRO CC[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1ccc(C#N)cc1 ZINC000278150398 1028314113 /nfs/dbraw/zinc/31/41/13/1028314113.db2.gz ACLWALRQDHKBLT-GOSISDBHSA-N 1 0 348.475 4.360 20 30 EIEDRO COc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)cc1OCCCC#N ZINC000346358728 1028399845 /nfs/dbraw/zinc/39/98/45/1028399845.db2.gz HGPYMQHBVNIUJB-KRWDZBQOSA-N 1 0 330.472 4.246 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)CC2 ZINC000583351692 1028563870 /nfs/dbraw/zinc/56/38/70/1028563870.db2.gz LDTYCHCSCQFCBN-KRWDZBQOSA-N 1 0 334.316 4.493 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2C)c1C ZINC000444035872 1028753732 /nfs/dbraw/zinc/75/37/32/1028753732.db2.gz BJYLSFQWVFUKBZ-IEBWSBKVSA-N 1 0 341.499 4.061 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000278264457 1028760860 /nfs/dbraw/zinc/76/08/60/1028760860.db2.gz OGKHRKFHFWOTLV-OAQYLSRUSA-N 1 0 347.462 4.316 20 30 EIEDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000444056930 1028774489 /nfs/dbraw/zinc/77/44/89/1028774489.db2.gz KLDYLVYUIQRSMW-KRWDZBQOSA-N 1 0 335.451 4.197 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000281602327 1028802422 /nfs/dbraw/zinc/80/24/22/1028802422.db2.gz FYGWSRFQSDAVKW-UHFFFAOYSA-N 1 0 339.395 4.274 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)[C@H](OC)c2ccc(Cl)cc2)ccc1C#N ZINC000440826648 1028832104 /nfs/dbraw/zinc/83/21/04/1028832104.db2.gz NTHJMRQGQYIDJG-YJYMSZOUSA-N 1 0 344.842 4.086 20 30 EIEDRO Cc1ccc(C[N@H+](CCCC2(C#N)CCOCC2)C2CC2)cc1C ZINC000281882197 1028908794 /nfs/dbraw/zinc/90/87/94/1028908794.db2.gz DBZDECKQHYMFOJ-UHFFFAOYSA-N 1 0 326.484 4.368 20 30 EIEDRO CC(C)Oc1cccc(C[N@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000281909941 1028935927 /nfs/dbraw/zinc/93/59/27/1028935927.db2.gz GJQWLEVSQFWNPJ-UHFFFAOYSA-N 1 0 330.472 4.006 20 30 EIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1OC(F)F ZINC000281930458 1028976083 /nfs/dbraw/zinc/97/60/83/1028976083.db2.gz IATZHUBJEPEAKW-CQSZACIVSA-N 1 0 338.398 4.039 20 30 EIEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)CCOCC1 ZINC000281963979 1029025880 /nfs/dbraw/zinc/02/58/80/1029025880.db2.gz KPNXZPMPWLIENR-GOSISDBHSA-N 1 0 346.902 4.447 20 30 EIEDRO Cc1ccccc1C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000281978811 1029040919 /nfs/dbraw/zinc/04/09/19/1029040919.db2.gz LURVEHMARNFVFZ-UHFFFAOYSA-N 1 0 326.484 4.275 20 30 EIEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000583722261 1029088858 /nfs/dbraw/zinc/08/88/58/1029088858.db2.gz OYQAJKMOZASXGK-QOFIHUKGSA-N 1 0 339.483 4.225 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000522981498 1029145173 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EIEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000248233505 1029534773 /nfs/dbraw/zinc/53/47/73/1029534773.db2.gz LSZLOPFZICYAQN-FQEVSTJZSA-N 1 0 344.499 4.037 20 30 EIEDRO CC(C)C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000343584443 1029548984 /nfs/dbraw/zinc/54/89/84/1029548984.db2.gz VRBDETVNJRPCBA-UHFFFAOYSA-N 1 0 341.480 4.107 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCOCc1ccc(Cl)cc1)CC2 ZINC000584142718 1029646985 /nfs/dbraw/zinc/64/69/85/1029646985.db2.gz PAAMSPXWAJEZGI-LJQANCHMSA-N 1 0 326.827 4.005 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(O)c2nc(C)ccc12 ZINC000429695074 1029699910 /nfs/dbraw/zinc/69/99/10/1029699910.db2.gz GMROXGURTOHPES-UHFFFAOYSA-N 1 0 343.430 4.309 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000329734179 1029704683 /nfs/dbraw/zinc/70/46/83/1029704683.db2.gz KCKNFNOCJJHQHU-GASCZTMLSA-N 1 0 343.471 4.404 20 30 EIEDRO C[NH+](C)CCc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000573170320 1029707304 /nfs/dbraw/zinc/70/73/04/1029707304.db2.gz TVDBPQZVRPPDQW-UHFFFAOYSA-N 1 0 347.384 4.293 20 30 EIEDRO COCC1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000193054060 1029715147 /nfs/dbraw/zinc/71/51/47/1029715147.db2.gz YUXSFZYMSRSFKR-UHFFFAOYSA-N 1 0 348.490 4.245 20 30 EIEDRO COc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000092709758 1029758876 /nfs/dbraw/zinc/75/88/76/1029758876.db2.gz MZBYUOBVXWMWLV-ROUUACIJSA-N 1 0 328.456 4.142 20 30 EIEDRO CN(CCC(C)(C)C#N)[C@H]1CCCC[C@H]1[N@H+](C)CCC(C)(C)C#N ZINC000546629240 1030060041 /nfs/dbraw/zinc/06/00/41/1030060041.db2.gz OTNMWQHDJKNPIN-HDICACEKSA-N 1 0 332.536 4.041 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000089103753 1030109998 /nfs/dbraw/zinc/10/99/98/1030109998.db2.gz NNRKFAWFSHHNEK-CQSZACIVSA-N 1 0 340.398 4.067 20 30 EIEDRO CC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(C#N)cc1 ZINC000447526140 1030121422 /nfs/dbraw/zinc/12/14/22/1030121422.db2.gz ASHFKYIPXXWSDO-OAQYLSRUSA-N 1 0 330.435 4.027 20 30 EIEDRO CC[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000447530815 1030125435 /nfs/dbraw/zinc/12/54/35/1030125435.db2.gz NSOGMKMHTPVQNZ-YADHBBJMSA-N 1 0 333.479 4.436 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)ccc1OC1CCCC1 ZINC000447532849 1030136134 /nfs/dbraw/zinc/13/61/34/1030136134.db2.gz VTCJNYKRAZEQLQ-RDJZCZTQSA-N 1 0 328.456 4.189 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447533475 1030136300 /nfs/dbraw/zinc/13/63/00/1030136300.db2.gz XRDQJASMJJOFIE-IBGZPJMESA-N 1 0 338.407 4.327 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2OC)C1)c1ccc(C#N)cc1 ZINC000447534251 1030137944 /nfs/dbraw/zinc/13/79/44/1030137944.db2.gz VWPHPTBGINXWJK-AZUAARDMSA-N 1 0 349.478 4.134 20 30 EIEDRO Fc1ccccc1CC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000681111566 1030155289 /nfs/dbraw/zinc/15/52/89/1030155289.db2.gz KNQPZADIMXFCOM-QWRGUYRKSA-N 1 0 329.259 4.041 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccc(C#N)cc1 ZINC000447562538 1030171815 /nfs/dbraw/zinc/17/18/15/1030171815.db2.gz LWSBZTALDWRMSD-RTBURBONSA-N 1 0 343.421 4.180 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(C)o1 ZINC000447593556 1030197381 /nfs/dbraw/zinc/19/73/81/1030197381.db2.gz SXZZFMIDDQUIJQ-NNGSBXSVSA-N 1 0 339.439 4.204 20 30 EIEDRO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185876315 1030232806 /nfs/dbraw/zinc/23/28/06/1030232806.db2.gz VCPOSFVPXKZVOR-PSLQGDIJSA-N 1 0 349.881 4.144 20 30 EIEDRO COC[C@@]1(C)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451201292 1030319599 /nfs/dbraw/zinc/31/95/99/1030319599.db2.gz JABFCELHDIMENT-QFIPXVFZSA-N 1 0 348.490 4.245 20 30 EIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC)cc1OCc1cccnc1 ZINC000447794775 1030328218 /nfs/dbraw/zinc/32/82/18/1030328218.db2.gz KILLSBZVULQYPL-UHFFFAOYSA-N 1 0 326.440 4.067 20 30 EIEDRO Cc1cc(C)c(N2CC[C@@H]([n+]3ccc4ccccc4c3)C2=O)c(C)c1 ZINC000188669745 1030413251 /nfs/dbraw/zinc/41/32/51/1030413251.db2.gz PZGJHJOWYOOVIM-HXUWFJFHSA-N 1 0 331.439 4.031 20 30 EIEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C2(CCCC2)CN1CCC(C)(C)C#N ZINC000451349938 1030426009 /nfs/dbraw/zinc/42/60/09/1030426009.db2.gz ZXUBHCNGNVOHQF-GOSISDBHSA-N 1 0 344.547 4.185 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(F)cc1 ZINC000527100516 1030480340 /nfs/dbraw/zinc/48/03/40/1030480340.db2.gz FAMLAAOLGWZVQY-FTXHTYHOSA-N 1 0 339.414 4.133 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000530500153 1030480466 /nfs/dbraw/zinc/48/04/66/1030480466.db2.gz GYUHSCQCTHIXMU-QGZVFWFLSA-N 1 0 343.515 4.390 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cccc(F)c1F ZINC000121932625 1030535099 /nfs/dbraw/zinc/53/50/99/1030535099.db2.gz ULBKNXMLDNOIPO-AWEZNQCLSA-N 1 0 330.378 4.498 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(C)(C)CC)cc2)CC1 ZINC000448123911 1030592999 /nfs/dbraw/zinc/59/29/99/1030592999.db2.gz VNFWRWMMVPGEHF-UHFFFAOYSA-N 1 0 329.488 4.146 20 30 EIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000527299064 1030620470 /nfs/dbraw/zinc/62/04/70/1030620470.db2.gz FYBCOAGZMANZQN-NSHDSACASA-N 1 0 325.250 4.048 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000451672298 1030636391 /nfs/dbraw/zinc/63/63/91/1030636391.db2.gz HQBWBHWRWVFVBT-CVEARBPZSA-N 1 0 332.831 4.127 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)cc1OC ZINC000448376051 1030765507 /nfs/dbraw/zinc/76/55/07/1030765507.db2.gz OWFBEIQNQXCMFJ-IBGZPJMESA-N 1 0 339.410 4.032 20 30 EIEDRO CCS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000176983683 1030828953 /nfs/dbraw/zinc/82/89/53/1030828953.db2.gz IYEDGXMAIMWOAS-PKOBYXMFSA-N 1 0 331.529 4.190 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1F ZINC000127605443 1030837942 /nfs/dbraw/zinc/83/79/42/1030837942.db2.gz WTKSXLRCSCJERV-NWDGAFQWSA-N 1 0 345.805 4.029 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)cc1OC ZINC000527771351 1030850805 /nfs/dbraw/zinc/85/08/05/1030850805.db2.gz HYKMERVZTUMWJP-NRFANRHFSA-N 1 0 338.451 4.286 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc4occc4c3)CCOCC2)cc1 ZINC000527813164 1030856536 /nfs/dbraw/zinc/85/65/36/1030856536.db2.gz WACFLIRJEYYEBD-UHFFFAOYSA-N 1 0 332.403 4.100 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3sccc3C#N)cc2)C1 ZINC000052031424 1030952921 /nfs/dbraw/zinc/95/29/21/1030952921.db2.gz OBKAYMZMKZEQFO-CQSZACIVSA-N 1 0 339.464 4.104 20 30 EIEDRO CCC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000508660091 1031064421 /nfs/dbraw/zinc/06/44/21/1031064421.db2.gz GJBRRTFKALYIKV-UHFFFAOYSA-N 1 0 330.435 4.361 20 30 EIEDRO COCc1cccc(OCC2(C[N@@H+]3CCC[C@@](C)(C#N)C3)CCC2)c1 ZINC000612161517 1031074569 /nfs/dbraw/zinc/07/45/69/1031074569.db2.gz FKNKYNHNDHFZMG-FQEVSTJZSA-N 1 0 342.483 4.008 20 30 EIEDRO COc1ccc([C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000528044578 1031076889 /nfs/dbraw/zinc/07/68/89/1031076889.db2.gz XWNGNULLCIOZHH-IRLDBZIGSA-N 1 0 347.462 4.470 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174564 1031111816 /nfs/dbraw/zinc/11/18/16/1031111816.db2.gz HFOWOOQWWLLOAJ-LJQANCHMSA-N 1 0 338.426 4.280 20 30 EIEDRO Cc1ccc([C@@H](C)[N@H+](C)CCC(=O)Nc2ccccc2C#N)c(C)c1 ZINC000532493525 1031234770 /nfs/dbraw/zinc/23/47/70/1031234770.db2.gz CKUPWAWWVYLMAY-QGZVFWFLSA-N 1 0 335.451 4.197 20 30 EIEDRO C=CCCC[N@@H+](C)CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000532571898 1031302452 /nfs/dbraw/zinc/30/24/52/1031302452.db2.gz DRWZGVJLZFMMLJ-HXUWFJFHSA-N 1 0 344.499 4.037 20 30 EIEDRO C=CCC1(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCCC1 ZINC000449065858 1031392676 /nfs/dbraw/zinc/39/26/76/1031392676.db2.gz WYGKMOGDCRXFJS-KRWDZBQOSA-N 1 0 330.472 4.059 20 30 EIEDRO CC1(C#N)CCC(Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000449054898 1031407087 /nfs/dbraw/zinc/40/70/87/1031407087.db2.gz RWJHJLAQCKPYGZ-UHFFFAOYSA-N 1 0 329.513 4.120 20 30 EIEDRO CCOc1c(Cl)cc(C[NH2+]C2CCC(C)(C#N)CC2)cc1OC ZINC000449085735 1031417175 /nfs/dbraw/zinc/41/71/75/1031417175.db2.gz AKSJCYRTWTVACD-UHFFFAOYSA-N 1 0 336.863 4.309 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000449081111 1031434858 /nfs/dbraw/zinc/43/48/58/1031434858.db2.gz BVRVHNIRJWCYOV-UHFFFAOYSA-N 1 0 326.362 4.190 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000449083491 1031436751 /nfs/dbraw/zinc/43/67/51/1031436751.db2.gz UIFAZZCJGUKFLL-IBGZPJMESA-N 1 0 342.527 4.335 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000449088954 1031449980 /nfs/dbraw/zinc/44/99/80/1031449980.db2.gz CJCCDJMXDJXVTB-UHFFFAOYSA-N 1 0 346.902 4.450 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000449092784 1031452871 /nfs/dbraw/zinc/45/28/71/1031452871.db2.gz UJTVGSXMSZQMEE-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000449139643 1031476779 /nfs/dbraw/zinc/47/67/79/1031476779.db2.gz ARWHIGLHIMDSTM-PDOTXMHQSA-N 1 0 333.273 4.498 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000449253419 1031569077 /nfs/dbraw/zinc/56/90/77/1031569077.db2.gz TWLPQHAZKDCTOV-KHCOKFHASA-N 1 0 336.838 4.371 20 30 EIEDRO CC[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000365247239 1031576854 /nfs/dbraw/zinc/57/68/54/1031576854.db2.gz ZXHWKLSEOORMMV-RTWAWAEBSA-N 1 0 348.425 4.261 20 30 EIEDRO CCc1ccc(-c2noc([C@H](C)[NH2+]C3CCC(C)(C#N)CC3)n2)cc1 ZINC000449276466 1031589252 /nfs/dbraw/zinc/58/92/52/1031589252.db2.gz BTKKQZHJPBPEKK-JTOQLSFASA-N 1 0 338.455 4.422 20 30 EIEDRO Cc1cc(-c2noc([C@@H](C)[NH2+]C3CCC(C)(C#N)CC3)n2)ccc1F ZINC000449279763 1031593561 /nfs/dbraw/zinc/59/35/61/1031593561.db2.gz SRVIBVIRYFPHOO-VZDIAYEVSA-N 1 0 342.418 4.307 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1ccnc(C#N)c1 ZINC000612504624 1031594427 /nfs/dbraw/zinc/59/44/27/1031594427.db2.gz FAWHDZYBPDKSPU-CYBMUJFWSA-N 1 0 334.448 4.236 20 30 EIEDRO N#CCC1(C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449297363 1031604804 /nfs/dbraw/zinc/60/48/04/1031604804.db2.gz CMCIRRPRNXXFPY-UHFFFAOYSA-N 1 0 337.236 4.118 20 30 EIEDRO CCC(C#N)(CC)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000528557857 1031634289 /nfs/dbraw/zinc/63/42/89/1031634289.db2.gz ZERRTHUXJHOPQC-UHFFFAOYSA-N 1 0 341.499 4.009 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC1 ZINC000449320612 1031634833 /nfs/dbraw/zinc/63/48/33/1031634833.db2.gz OXLQLQMADHUIKR-PZZKWDHKSA-N 1 0 334.410 4.327 20 30 EIEDRO CSc1ccc([C@H](C[NH2+]C2CCC(C)(C#N)CC2)N(C)C)cc1 ZINC000449342285 1031639773 /nfs/dbraw/zinc/63/97/73/1031639773.db2.gz AKSRVRBGHSMCGA-AVAKVYKDSA-N 1 0 331.529 4.073 20 30 EIEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1cc(C#N)cs1 ZINC000236675915 1031645442 /nfs/dbraw/zinc/64/54/42/1031645442.db2.gz SUTVUOSSLPOGJI-KRWDZBQOSA-N 1 0 332.444 4.342 20 30 EIEDRO C[C@@H](c1cccs1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179935643 1031653237 /nfs/dbraw/zinc/65/32/37/1031653237.db2.gz DTLKYWAYOKMZHE-AWEZNQCLSA-N 1 0 336.464 4.213 20 30 EIEDRO COc1ccc(C[N@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)cc1C#N ZINC000449365700 1031657507 /nfs/dbraw/zinc/65/75/07/1031657507.db2.gz USORCFGLJCTFHR-SCRDCRAPSA-N 1 0 326.362 4.118 20 30 EIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2nc(C3CC3)cs2)cc1 ZINC000153227683 1031661664 /nfs/dbraw/zinc/66/16/64/1031661664.db2.gz YAHGNGBMEAQBHL-LBPRGKRZSA-N 1 0 328.485 4.461 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCc3ccsc3C2)c(-c2ccccc2)n1 ZINC000127047773 1031675405 /nfs/dbraw/zinc/67/54/05/1031675405.db2.gz ROZXRJWSJLFVMK-UHFFFAOYSA-N 1 0 348.475 4.084 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000449445233 1031737912 /nfs/dbraw/zinc/73/79/12/1031737912.db2.gz GRWUKKKMFATKHX-LRDDRELGSA-N 1 0 348.372 4.267 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000449445566 1031740018 /nfs/dbraw/zinc/74/00/18/1031740018.db2.gz JWBVHMIZHMMJEW-UWJYYQICSA-N 1 0 345.446 4.309 20 30 EIEDRO CC(C)=CCC[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000449442163 1031764963 /nfs/dbraw/zinc/76/49/63/1031764963.db2.gz JZBASDZJOHIMJQ-SFHVURJKSA-N 1 0 325.500 4.247 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1Cl ZINC000449471012 1031768272 /nfs/dbraw/zinc/76/82/72/1031768272.db2.gz BYDVTAGHIVDJMV-MRXNPFEDSA-N 1 0 335.875 4.344 20 30 EIEDRO C=CC(C)(C)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000449484860 1031794796 /nfs/dbraw/zinc/79/47/96/1031794796.db2.gz JSWQKSSHFUKHBY-UHFFFAOYSA-N 1 0 347.459 4.269 20 30 EIEDRO C=CC(C)(C)C[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000449486428 1031797986 /nfs/dbraw/zinc/79/79/86/1031797986.db2.gz SGCKNIVHBQZXOS-UHFFFAOYSA-N 1 0 343.496 4.438 20 30 EIEDRO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000528743618 1031820819 /nfs/dbraw/zinc/82/08/19/1031820819.db2.gz HANWVKPAVLXPMR-IBGZPJMESA-N 1 0 344.474 4.494 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(-c2ccccc2)n1 ZINC000449532836 1031828531 /nfs/dbraw/zinc/82/85/31/1031828531.db2.gz DRISPLFWXWTGFP-UNMCSNQZSA-N 1 0 346.478 4.084 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449548458 1031837246 /nfs/dbraw/zinc/83/72/46/1031837246.db2.gz NNNDUSOYVDDVCP-HFAKWTLXSA-N 1 0 337.236 4.247 20 30 EIEDRO COCC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000449553676 1031840800 /nfs/dbraw/zinc/84/08/00/1031840800.db2.gz MLTDQHYEWMAMRU-SFHVURJKSA-N 1 0 348.368 4.444 20 30 EIEDRO C[C@@H](C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000528774980 1031844713 /nfs/dbraw/zinc/84/47/13/1031844713.db2.gz UNSBPSUZCQBLRI-HNNXBMFYSA-N 1 0 338.455 4.256 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000453335381 1031858507 /nfs/dbraw/zinc/85/85/07/1031858507.db2.gz ACWHKTATWMKRHQ-CABCVRRESA-N 1 0 333.419 4.026 20 30 EIEDRO C=CCC1(C[NH2+]Cc2nc3c(s2)CN(C(C)C)CC3)CCCC1 ZINC000449607514 1031869877 /nfs/dbraw/zinc/86/98/77/1031869877.db2.gz XWPKEEOVGYCGHT-UHFFFAOYSA-N 1 0 333.545 4.136 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000453349999 1031879036 /nfs/dbraw/zinc/87/90/36/1031879036.db2.gz JTAQXSPXZLHYRU-JKSUJKDBSA-N 1 0 328.481 4.104 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(F)c1 ZINC000531971013 1031908214 /nfs/dbraw/zinc/90/82/14/1031908214.db2.gz IFGRDZYXZAESIO-KSSFIOAISA-N 1 0 341.405 4.156 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccco1 ZINC000453391020 1031958266 /nfs/dbraw/zinc/95/82/66/1031958266.db2.gz XVQJGAYKBOSZOP-NBMJBFSESA-N 1 0 343.471 4.270 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)CCCS2 ZINC000453397144 1031966004 /nfs/dbraw/zinc/96/60/04/1031966004.db2.gz ZFSXEQJQYKCXNU-SFHVURJKSA-N 1 0 342.439 4.423 20 30 EIEDRO CCCCOc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1OC ZINC000449737414 1031972029 /nfs/dbraw/zinc/97/20/29/1031972029.db2.gz ZYGFGAOEUFPOPY-UHFFFAOYSA-N 1 0 342.414 4.175 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000449765772 1031987734 /nfs/dbraw/zinc/98/77/34/1031987734.db2.gz KKYYQLNYWBTDDD-IBGZPJMESA-N 1 0 343.492 4.306 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000449790085 1032016974 /nfs/dbraw/zinc/01/69/74/1032016974.db2.gz JOWNDIDSHWXBDV-HIFRSBDPSA-N 1 0 331.872 4.484 20 30 EIEDRO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000449819798 1032024677 /nfs/dbraw/zinc/02/46/77/1032024677.db2.gz JTQOSMHZBJNIMS-KRWDZBQOSA-N 1 0 346.540 4.213 20 30 EIEDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610803 1033493641 /nfs/dbraw/zinc/49/36/41/1033493641.db2.gz FCFKHLOABJQYCA-ARGWCVDVSA-N 1 0 342.414 4.133 20 30 EIEDRO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)Oc1ccccc1Cl ZINC000512624855 1033535919 /nfs/dbraw/zinc/53/59/19/1033535919.db2.gz KNXSVLAVNGRDSF-CHWSQXEVSA-N 1 0 332.806 4.469 20 30 EIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000512631777 1033556425 /nfs/dbraw/zinc/55/64/25/1033556425.db2.gz SOSCNWFTWATKMY-DZGCQCFKSA-N 1 0 330.378 4.345 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000614169850 1033558861 /nfs/dbraw/zinc/55/88/61/1033558861.db2.gz XAGIGKFSTPMPPW-QFIPXVFZSA-N 1 0 348.490 4.360 20 30 EIEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc(C#N)cc1F ZINC000512635457 1033572871 /nfs/dbraw/zinc/57/28/71/1033572871.db2.gz HGSAQNPATAMCSG-LBPRGKRZSA-N 1 0 330.353 4.358 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@H](C)C(C)C ZINC000246541004 1033573631 /nfs/dbraw/zinc/57/36/31/1033573631.db2.gz CQFDBTJRMAKVTG-JKSUJKDBSA-N 1 0 347.528 4.386 20 30 EIEDRO CN(Cc1nc2ccccc2n1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614175948 1033590765 /nfs/dbraw/zinc/59/07/65/1033590765.db2.gz ULZWBFDMVLBARL-UHFFFAOYSA-N 1 0 332.451 4.006 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1F ZINC000512642653 1033599276 /nfs/dbraw/zinc/59/92/76/1033599276.db2.gz RHHPJUJRBAXNGX-ORAYPTAESA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H]1C ZINC000512665267 1033654988 /nfs/dbraw/zinc/65/49/88/1033654988.db2.gz DYDHGFQMMRPMJK-VRVMVEOCSA-N 1 0 327.472 4.058 20 30 EIEDRO N#CCCC[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccccc1 ZINC000433013825 1033655474 /nfs/dbraw/zinc/65/54/74/1033655474.db2.gz ZOGICZDTLPTNEW-HXUWFJFHSA-N 1 0 341.499 4.098 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)[C@H]1C ZINC000512665266 1033655706 /nfs/dbraw/zinc/65/57/06/1033655706.db2.gz DYDHGFQMMRPMJK-CQVJONBTSA-N 1 0 327.472 4.058 20 30 EIEDRO CC1CCC(N(C)C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1 ZINC000433023058 1033680823 /nfs/dbraw/zinc/68/08/23/1033680823.db2.gz ZCNMWMNGJNTGKG-LYBXBRPPSA-N 1 0 341.499 4.048 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccsc1 ZINC000512672789 1033684389 /nfs/dbraw/zinc/68/43/89/1033684389.db2.gz MLSJGNIIHDBQFR-IFXJQAMLSA-N 1 0 345.487 4.493 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000433032761 1033702602 /nfs/dbraw/zinc/70/26/02/1033702602.db2.gz NCZIYQKAJJODBF-UHFFFAOYSA-N 1 0 328.481 4.396 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000433082964 1033811111 /nfs/dbraw/zinc/81/11/11/1033811111.db2.gz NAZATGHKRPGWNN-AEFFLSMTSA-N 1 0 337.442 4.265 20 30 EIEDRO N#CC1(CC[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CCCCC1 ZINC000411355142 1033857697 /nfs/dbraw/zinc/85/76/97/1033857697.db2.gz PCPRUTHBNRCCLW-UHFFFAOYSA-N 1 0 345.531 4.011 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000509821190 1034045515 /nfs/dbraw/zinc/04/55/15/1034045515.db2.gz SSCIZNPGEVJMQZ-CQSZACIVSA-N 1 0 340.920 4.181 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCCOc2cccc3cccnc32)cc1 ZINC000500924049 1034178240 /nfs/dbraw/zinc/17/82/40/1034178240.db2.gz VWGTXLIOQIJVSN-UHFFFAOYSA-N 1 0 348.446 4.358 20 30 EIEDRO N#CC1(CCC[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CCOCC1 ZINC000433299881 1034191207 /nfs/dbraw/zinc/19/12/07/1034191207.db2.gz RUGBXNQFPPHFJU-KRWDZBQOSA-N 1 0 332.875 4.230 20 30 EIEDRO CC1(C)CN(CCCC#N)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000433314831 1034209080 /nfs/dbraw/zinc/20/90/80/1034209080.db2.gz WVLDYYRANRPTSO-OAHLLOKOSA-N 1 0 326.362 4.161 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(C2CC2)cc1 ZINC000419346116 1034388836 /nfs/dbraw/zinc/38/88/36/1034388836.db2.gz UXTIEWVXDHTIIH-OAHLLOKOSA-N 1 0 333.435 4.115 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C/C=C/c2ccc(C(C)C)cc2)CC1 ZINC000163549560 1034490069 /nfs/dbraw/zinc/49/00/69/1034490069.db2.gz DDKHVOCVLAPMGW-AATRIKPKSA-N 1 0 340.511 4.370 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000614397316 1034536072 /nfs/dbraw/zinc/53/60/72/1034536072.db2.gz JRFDJTWGOMKEKS-UHFFFAOYSA-N 1 0 344.462 4.321 20 30 EIEDRO Cc1cc(C#N)ccc1CN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000614401987 1034547793 /nfs/dbraw/zinc/54/77/93/1034547793.db2.gz GSTYJMNMDMHIDX-BETUJISGSA-N 1 0 336.279 4.039 20 30 EIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614403099 1034552022 /nfs/dbraw/zinc/55/20/22/1034552022.db2.gz CKYAFBCYKLZPRR-HXUWFJFHSA-N 1 0 344.462 4.189 20 30 EIEDRO C(=[NH+]NCCCOc1ccccc1)c1ccccc1N1CCCCC1 ZINC000729149796 1034728996 /nfs/dbraw/zinc/72/89/96/1034728996.db2.gz OZCQCAGPSIGITO-UHFFFAOYSA-N 1 0 337.467 4.070 20 30 EIEDRO C(=[NH+]NCCCc1ccccc1)c1ccc(N2CCCCC2)s1 ZINC000729147724 1034729709 /nfs/dbraw/zinc/72/97/09/1034729709.db2.gz FTSLJSNQNXKHKR-UHFFFAOYSA-N 1 0 327.497 4.295 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513257055 1034860545 /nfs/dbraw/zinc/86/05/45/1034860545.db2.gz OZIQFSPFMXRBMJ-VQIMIIECSA-N 1 0 336.435 4.029 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CCCN(c2ccccc2F)CC1 ZINC000513382417 1034911168 /nfs/dbraw/zinc/91/11/68/1034911168.db2.gz XLBKDYDBKKOVGP-UHFFFAOYSA-N 1 0 343.833 4.063 20 30 EIEDRO COc1ccccc1O[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000513404767 1034919436 /nfs/dbraw/zinc/91/94/36/1034919436.db2.gz ACEMBCZIKHHJGD-LPHOPBHVSA-N 1 0 336.435 4.171 20 30 EIEDRO C=C1CC[NH+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000513484023 1034973891 /nfs/dbraw/zinc/97/38/91/1034973891.db2.gz HPXJPZWYHARVDC-UHFFFAOYSA-N 1 0 339.483 4.466 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccco1 ZINC000513683276 1035100324 /nfs/dbraw/zinc/10/03/24/1035100324.db2.gz IWDRRKVNAJBGGY-DOTOQJQBSA-N 1 0 330.497 4.385 20 30 EIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC)cc1 ZINC000501261263 1035408156 /nfs/dbraw/zinc/40/81/56/1035408156.db2.gz ZGWPCQUVHLSKOA-HXUWFJFHSA-N 1 0 336.435 4.303 20 30 EIEDRO CCCn1nccc1C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000501551148 1035465817 /nfs/dbraw/zinc/46/58/17/1035465817.db2.gz MYWHKWBFWPVYSS-UHFFFAOYSA-N 1 0 341.886 4.178 20 30 EIEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513718144 1035482472 /nfs/dbraw/zinc/48/24/72/1035482472.db2.gz VOAWCQKBQBTKCV-ZHRRBRCNSA-N 1 0 331.463 4.050 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cc2cnccc2o1 ZINC000595010842 1035506057 /nfs/dbraw/zinc/50/60/57/1035506057.db2.gz ZFYRHCLCJYOMNN-CQSZACIVSA-N 1 0 337.448 4.283 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccccc3C3CC3)CCOCC2)c1 ZINC000594983205 1035514985 /nfs/dbraw/zinc/51/49/85/1035514985.db2.gz HRPQQPXZRLCIST-UHFFFAOYSA-N 1 0 332.447 4.231 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3coc4ccccc34)CCOCC2)c1 ZINC000594985088 1035515375 /nfs/dbraw/zinc/51/53/75/1035515375.db2.gz WABHZQJVBHAVFQ-UHFFFAOYSA-N 1 0 332.403 4.100 20 30 EIEDRO C/C(=C\c1ccccc1)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594984020 1035516005 /nfs/dbraw/zinc/51/60/05/1035516005.db2.gz LDPOTLRDLBYPQU-NBVRZTHBSA-N 1 0 332.447 4.257 20 30 EIEDRO C[C@@]1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1(F)F ZINC000594986035 1035518955 /nfs/dbraw/zinc/51/89/55/1035518955.db2.gz RUFKWPSOWXDOGX-IBGZPJMESA-N 1 0 342.389 4.272 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)c1cccc(C#N)c1 ZINC000595058530 1035537672 /nfs/dbraw/zinc/53/76/72/1035537672.db2.gz CLIVUTMDWPZLST-RDJZCZTQSA-N 1 0 339.870 4.389 20 30 EIEDRO C=CCCSCC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccn1 ZINC000595060600 1035540806 /nfs/dbraw/zinc/54/08/06/1035540806.db2.gz WKMSBDIWXDDYLP-IBGZPJMESA-N 1 0 328.481 4.079 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000595048576 1035568145 /nfs/dbraw/zinc/56/81/45/1035568145.db2.gz WRGUZBGAHJSTRT-UNMCSNQZSA-N 1 0 337.511 4.247 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000484993812 1035568373 /nfs/dbraw/zinc/56/83/73/1035568373.db2.gz DRGBTWCBQOAWAO-GFCCVEGCSA-N 1 0 333.781 4.265 20 30 EIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000574897567 1035574363 /nfs/dbraw/zinc/57/43/63/1035574363.db2.gz IWGPBBACGVUXLF-PMACEKPBSA-N 1 0 343.540 4.181 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)CC2 ZINC000595074378 1035588635 /nfs/dbraw/zinc/58/86/35/1035588635.db2.gz RGJVOKRWFAYCOX-SJORKVTESA-N 1 0 338.373 4.025 20 30 EIEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000595092224 1035600027 /nfs/dbraw/zinc/60/00/27/1035600027.db2.gz ZNHCJJRLQVOWLG-JKSUJKDBSA-N 1 0 330.472 4.259 20 30 EIEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000595092188 1035601360 /nfs/dbraw/zinc/60/13/60/1035601360.db2.gz YPXSYWJHONCGBU-CQSZACIVSA-N 1 0 325.456 4.041 20 30 EIEDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)c2ccccc21 ZINC000595090215 1035601428 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4.095 20 30 EIEDRO CC(C)(C)c1nn(-c2ccccc2)cc1CN(CCC#N)CC1CC1 ZINC000513723886 1035723077 /nfs/dbraw/zinc/72/30/77/1035723077.db2.gz BPGDASISEYADHX-UHFFFAOYSA-N 1 0 336.483 4.295 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)c(C)c1C ZINC000595634381 1035741910 /nfs/dbraw/zinc/74/19/10/1035741910.db2.gz AWCKKLHBRKWHMH-UHFFFAOYSA-N 1 0 341.480 4.008 20 30 EIEDRO COc1ccc([C@H]([NH2+]CCCSCC#N)c2ccccc2)cc1 ZINC000595634103 1035742898 /nfs/dbraw/zinc/74/28/98/1035742898.db2.gz AFTAZFKHGBBBLM-LJQANCHMSA-N 1 0 326.465 4.021 20 30 EIEDRO CC[N@H+](CCc1cccs1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000366640605 1035743484 /nfs/dbraw/zinc/74/34/84/1035743484.db2.gz HGXVGCSRNFLQSB-UHFFFAOYSA-N 1 0 337.448 4.339 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCC23CCCCC3)c(C#N)c1C ZINC000595603225 1035745847 /nfs/dbraw/zinc/74/58/47/1035745847.db2.gz GUPUJCIHPBUTMW-RHSMWYFYSA-N 1 0 343.471 4.188 20 30 EIEDRO N#CC[C@@H]1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000595610496 1035747755 /nfs/dbraw/zinc/74/77/55/1035747755.db2.gz ZTXAHPZBHIJNKG-IBGZPJMESA-N 1 0 334.463 4.418 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1F ZINC000595688782 1035766307 /nfs/dbraw/zinc/76/63/07/1035766307.db2.gz ARILZRMMQHLQBQ-IFXJQAMLSA-N 1 0 339.414 4.011 20 30 EIEDRO Cc1nc(C(C)C)ccc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595769437 1035779538 /nfs/dbraw/zinc/77/95/38/1035779538.db2.gz RNZGZYMHGYVINO-UHFFFAOYSA-N 1 0 349.478 4.181 20 30 EIEDRO COc1cccc(C2([NH2+]Cc3ccc(C#N)cc3Cl)CCC2)c1 ZINC000595855435 1035800024 /nfs/dbraw/zinc/80/00/24/1035800024.db2.gz YGDLLFGGAAXEOO-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO COc1cc(C[N@@H+]2CC3CC2(C)C3)ccc1OCc1cccc(C#N)c1 ZINC000595915188 1035803950 /nfs/dbraw/zinc/80/39/50/1035803950.db2.gz LAHKYLYUMMTRKG-UHFFFAOYSA-N 1 0 348.446 4.130 20 30 EIEDRO CCc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000491146175 1035809471 /nfs/dbraw/zinc/80/94/71/1035809471.db2.gz OKIHGDSGPJPPLM-UHFFFAOYSA-N 1 0 344.462 4.153 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ccccc3-n3ccnc31)CC2 ZINC000596095358 1035821761 /nfs/dbraw/zinc/82/17/61/1035821761.db2.gz PQQDPXWJOAECQM-WOJBJXKFSA-N 1 0 340.430 4.008 20 30 EIEDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000420920478 1035875991 /nfs/dbraw/zinc/87/59/91/1035875991.db2.gz BDZBAUORFLZVLP-FQEVSTJZSA-N 1 0 344.474 4.323 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000513732722 1035891210 /nfs/dbraw/zinc/89/12/10/1035891210.db2.gz JEOYZFWZMFTHMX-SIKLNZKXSA-N 1 0 332.447 4.205 20 30 EIEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)c(-c2ccccc2)n1 ZINC000414487420 1035931269 /nfs/dbraw/zinc/93/12/69/1035931269.db2.gz SDBVHLJUJXQAPW-PZJWPPBQSA-N 1 0 348.494 4.380 20 30 EIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)CC2(C#N)CCCCC2)c1 ZINC000596833430 1036031829 /nfs/dbraw/zinc/03/18/29/1036031829.db2.gz NIAUUHOOAZHTHA-UHFFFAOYSA-N 1 0 341.499 4.009 20 30 EIEDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015394 1036069113 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N#Cc1ccc(F)c(C[NH2+]Cc2ccc(Cl)c3cccnc23)c1 ZINC000760680144 1036245056 /nfs/dbraw/zinc/24/50/56/1036245056.db2.gz OJCKOOFADNLGDV-UHFFFAOYSA-N 1 0 325.774 4.189 20 30 EIEDRO C=CCC1([NH2+][C@@H](C)CCc2ccc(OC(F)F)cc2)CCOCC1 ZINC000668551686 1036276183 /nfs/dbraw/zinc/27/61/83/1036276183.db2.gz ULWWWYHWWZMJDM-HNNXBMFYSA-N 1 0 339.426 4.324 20 30 EIEDRO C=CCC1([NH2+][C@@H]2C[C@@H](OCC)[C@@H]2Sc2ccccc2)CCOCC1 ZINC000668551601 1036276507 /nfs/dbraw/zinc/27/65/07/1036276507.db2.gz RRXMTCAOTKFMMA-GUDVDZBRSA-N 1 0 347.524 4.040 20 30 EIEDRO CC[C@H]1C[C@@]1([NH2+]CCCC1(C#N)CCOCC1)c1cccc(C)c1 ZINC000502506571 1036277469 /nfs/dbraw/zinc/27/74/69/1036277469.db2.gz FENCNUPTRVRHTB-RXVVDRJESA-N 1 0 326.484 4.310 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](CCCOCCc3ccccc3)CC2)cc1 ZINC000502494059 1036279251 /nfs/dbraw/zinc/27/92/51/1036279251.db2.gz IOJSJAPYXNVZFR-UHFFFAOYSA-N 1 0 346.474 4.297 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000421349810 1036295478 /nfs/dbraw/zinc/29/54/78/1036295478.db2.gz JOINDUFJZNNEHM-DYVFJYSZSA-N 1 0 341.436 4.029 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cccc(OC(F)F)c3)CC2)cc1 ZINC000502515646 1036302470 /nfs/dbraw/zinc/30/24/70/1036302470.db2.gz KIOBACVDSZTNSI-UHFFFAOYSA-N 1 0 340.373 4.449 20 30 EIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421362543 1036306284 /nfs/dbraw/zinc/30/62/84/1036306284.db2.gz JIXSQLVGAMTJSP-FPOVZHCZSA-N 1 0 338.426 4.263 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000588232562 1036306722 /nfs/dbraw/zinc/30/67/22/1036306722.db2.gz NFNUEDVEXCDLIO-PKOBYXMFSA-N 1 0 328.843 4.028 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccc(C#N)c(F)c2)CC1 ZINC000421364659 1036310603 /nfs/dbraw/zinc/31/06/03/1036310603.db2.gz OZPJCDKZDIHWEV-INIZCTEOSA-N 1 0 337.442 4.013 20 30 EIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000588210567 1036312652 /nfs/dbraw/zinc/31/26/52/1036312652.db2.gz UTWSNKRIVSRWJA-CYBMUJFWSA-N 1 0 333.357 4.035 20 30 EIEDRO CC1CC[NH+](Cc2cccc(CNC(=O)CCCCCC#N)c2)CC1 ZINC000588339429 1036358939 /nfs/dbraw/zinc/35/89/39/1036358939.db2.gz PLSZQEUADBLTCY-UHFFFAOYSA-N 1 0 341.499 4.009 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@H](CC)CC(F)(F)F)cc(OC)c1O ZINC000414515327 1036362319 /nfs/dbraw/zinc/36/23/19/1036362319.db2.gz LVNOOXBVZUAQLJ-GFCCVEGCSA-N 1 0 331.378 4.198 20 30 EIEDRO Cc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H](C)CCC#N)c2)cc1 ZINC000602517868 1036474379 /nfs/dbraw/zinc/47/43/79/1036474379.db2.gz KAACKKJEJGKPCS-QGZVFWFLSA-N 1 0 335.451 4.277 20 30 EIEDRO Cc1c(C[NH2+][C@H](C)CC2(C#N)CCOCC2)oc2ccc(F)cc12 ZINC000602522885 1036481277 /nfs/dbraw/zinc/48/12/77/1036481277.db2.gz ZNKMRUKIJVHMIZ-CYBMUJFWSA-N 1 0 330.403 4.069 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000602506918 1036483400 /nfs/dbraw/zinc/48/34/00/1036483400.db2.gz YGXLKTBOYVVPST-GFCCVEGCSA-N 1 0 327.255 4.182 20 30 EIEDRO CC(C)c1ccc(CCC[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602547931 1036489551 /nfs/dbraw/zinc/48/95/51/1036489551.db2.gz VDGLNXCUJYGXMM-SFHVURJKSA-N 1 0 328.500 4.431 20 30 EIEDRO CC1=C(C)C[C@@H]([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000602533701 1036496583 /nfs/dbraw/zinc/49/65/83/1036496583.db2.gz RANNDYWMLPPTMA-HKUYNNGSSA-N 1 0 338.499 4.037 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000602570483 1036499634 /nfs/dbraw/zinc/49/96/34/1036499634.db2.gz ACZKHRPLTHYBTQ-ILXRZTDVSA-N 1 0 332.410 4.044 20 30 EIEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602565897 1036501062 /nfs/dbraw/zinc/50/10/62/1036501062.db2.gz BDRRPXWWJGDKKD-ROUUACIJSA-N 1 0 344.499 4.361 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000602591156 1036503625 /nfs/dbraw/zinc/50/36/25/1036503625.db2.gz FRRIUPXNCVTJMD-QHGAOEGBSA-N 1 0 326.484 4.401 20 30 EIEDRO CC(C)[C@H]1[N@H+](Cc2cccc(OCCCC#N)c2)CC12CCOCC2 ZINC000414530316 1036504321 /nfs/dbraw/zinc/50/43/21/1036504321.db2.gz QFHGAFJCWRLBKH-HXUWFJFHSA-N 1 0 342.483 4.006 20 30 EIEDRO CCN1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000602579677 1036509965 /nfs/dbraw/zinc/50/99/65/1036509965.db2.gz AGVJATJOBQICGJ-JPTANXAOSA-N 1 0 349.881 4.286 20 30 EIEDRO CN1CC[C@H](C[NH2+]C2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000602578935 1036510905 /nfs/dbraw/zinc/51/09/05/1036510905.db2.gz PWXKAITYDHMZPM-PRPBGHMLSA-N 1 0 349.881 4.144 20 30 EIEDRO N#Cc1ccc(CCC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000027141516 1036524034 /nfs/dbraw/zinc/52/40/34/1036524034.db2.gz IXBHLSMCKUZYED-UHFFFAOYSA-N 1 0 347.462 4.115 20 30 EIEDRO C[C@@H](CCC#N)C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000602643349 1036535578 /nfs/dbraw/zinc/53/55/78/1036535578.db2.gz PWGVGUPKFZHXMC-HNNXBMFYSA-N 1 0 330.863 4.016 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000602646299 1036536613 /nfs/dbraw/zinc/53/66/13/1036536613.db2.gz NWVXCNAIZYLQAR-ZVZYQTTQSA-N 1 0 332.875 4.275 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000588961674 1036626248 /nfs/dbraw/zinc/62/62/48/1036626248.db2.gz SOGGSCGOTMFGJU-NQBHXWOUSA-N 1 0 325.225 4.321 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000414541613 1036643310 /nfs/dbraw/zinc/64/33/10/1036643310.db2.gz WLGCDEWTUZMGLQ-ZDUSSCGKSA-N 1 0 326.387 4.439 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)C1CC1 ZINC000467404828 1036659138 /nfs/dbraw/zinc/65/91/38/1036659138.db2.gz DEOURHRERFVSPU-SFHVURJKSA-N 1 0 334.891 4.011 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602925401 1036681787 /nfs/dbraw/zinc/68/17/87/1036681787.db2.gz OHWAIRXKKVEHGE-HNNXBMFYSA-N 1 0 328.378 4.048 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000598586752 1036705243 /nfs/dbraw/zinc/70/52/43/1036705243.db2.gz YLFJJNYHGIACIS-CZUORRHYSA-N 1 0 341.282 4.431 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c(F)c1 ZINC000589190014 1036705414 /nfs/dbraw/zinc/70/54/14/1036705414.db2.gz KNQWSCHTXUKLIZ-UHFFFAOYSA-N 1 0 349.409 4.222 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(-c2ccc(F)cc2)cc1 ZINC000598602497 1036706328 /nfs/dbraw/zinc/70/63/28/1036706328.db2.gz SPZLAOHPBNBMEP-QRWLVFNGSA-N 1 0 340.442 4.444 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000598589524 1036709053 /nfs/dbraw/zinc/70/90/53/1036709053.db2.gz GTHVMSYXRHSXHY-IBGZPJMESA-N 1 0 334.463 4.230 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000598589525 1036710228 /nfs/dbraw/zinc/71/02/28/1036710228.db2.gz GTHVMSYXRHSXHY-LJQANCHMSA-N 1 0 334.463 4.230 20 30 EIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598613361 1036714316 /nfs/dbraw/zinc/71/43/16/1036714316.db2.gz WBERJZJVJSKRMF-MELADBBJSA-N 1 0 342.405 4.088 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000598604331 1036720966 /nfs/dbraw/zinc/72/09/66/1036720966.db2.gz QYUMWMMHHUXBLZ-PZWJTGQCSA-N 1 0 332.513 4.307 20 30 EIEDRO C=CCN(C(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000589299448 1036734330 /nfs/dbraw/zinc/73/43/30/1036734330.db2.gz VEIGYRDXCUWKMV-UHFFFAOYSA-N 1 0 334.463 4.118 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)CC2 ZINC000589336799 1036738582 /nfs/dbraw/zinc/73/85/82/1036738582.db2.gz IQNWEDNZKBRPNS-YADHBBJMSA-N 1 0 325.415 4.320 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)CC2 ZINC000589336796 1036739672 /nfs/dbraw/zinc/73/96/72/1036739672.db2.gz IQNWEDNZKBRPNS-VXKWHMMOSA-N 1 0 325.415 4.320 20 30 EIEDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3ccc(C#N)cc31)CCO2 ZINC000589343918 1036743084 /nfs/dbraw/zinc/74/30/84/1036743084.db2.gz HGQGYQNIFQYMFP-VQTJNVASSA-N 1 0 334.419 4.058 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)ccc1C#N ZINC000589345455 1036743367 /nfs/dbraw/zinc/74/33/67/1036743367.db2.gz CGZGGMPKMWOVSN-CYBMUJFWSA-N 1 0 348.368 4.306 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000367073614 1036747044 /nfs/dbraw/zinc/74/70/44/1036747044.db2.gz UETWSQGGUIHLEM-OAQYLSRUSA-N 1 0 332.447 4.274 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000598715852 1036756578 /nfs/dbraw/zinc/75/65/78/1036756578.db2.gz UGGGPYPGGGETIT-RTBURBONSA-N 1 0 342.870 4.320 20 30 EIEDRO Cc1cccc(C([NH2+]C[C@H](O)CC(C)(C)C#N)c2cccc(C)c2)c1 ZINC000598726266 1036762277 /nfs/dbraw/zinc/76/22/77/1036762277.db2.gz RNDVDSOHTYNCBV-HXUWFJFHSA-N 1 0 336.479 4.283 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000598728858 1036765759 /nfs/dbraw/zinc/76/57/59/1036765759.db2.gz XAYJFQJQTAYEIL-JQHSSLGASA-N 1 0 334.891 4.257 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000593619626 1036781514 /nfs/dbraw/zinc/78/15/14/1036781514.db2.gz ABICZKHWBDCGQU-BEFAXECRSA-N 1 0 342.483 4.283 20 30 EIEDRO CCOc1ccccc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000572531258 1036788996 /nfs/dbraw/zinc/78/89/96/1036788996.db2.gz KRVKZVLBGRXNFD-UHFFFAOYSA-N 1 0 334.341 4.266 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]CCc3cccc(Cl)c3)CC2)cc1 ZINC000513760207 1036800090 /nfs/dbraw/zinc/80/00/90/1036800090.db2.gz IMOBNEADFORKQO-UHFFFAOYSA-N 1 0 339.870 4.013 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)c(F)c1 ZINC000421849245 1036826361 /nfs/dbraw/zinc/82/63/61/1036826361.db2.gz BOQCQJMMQKMAGC-LJQANCHMSA-N 1 0 328.362 4.086 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)c1cccc(C#N)c1 ZINC000598965025 1036828932 /nfs/dbraw/zinc/82/89/32/1036828932.db2.gz KHXSQQCXFNZIBP-CYBMUJFWSA-N 1 0 342.464 4.426 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)s2)c2cc([N+](=O)[O-])ccc21 ZINC000421885910 1036832358 /nfs/dbraw/zinc/83/23/58/1036832358.db2.gz RQDJGGGWXPYXSO-MRXNPFEDSA-N 1 0 327.409 4.040 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2cc(C)n(C)n2)C(C)(C)C)cc1 ZINC000486771497 1036847777 /nfs/dbraw/zinc/84/77/77/1036847777.db2.gz LHDMQWISHWABHQ-UHFFFAOYSA-N 1 0 327.472 4.094 20 30 EIEDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000598996177 1036848570 /nfs/dbraw/zinc/84/85/70/1036848570.db2.gz NBBVDBUHGJRYEH-PMACEKPBSA-N 1 0 330.435 4.180 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](c1ccccc1)[C@H](O)C(C)C ZINC000668683703 1036852948 /nfs/dbraw/zinc/85/29/48/1036852948.db2.gz OAUKGQACZGAICW-NHCUHLMSSA-N 1 0 325.452 4.099 20 30 EIEDRO COC(=O)CC1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000599049485 1036855264 /nfs/dbraw/zinc/85/52/64/1036855264.db2.gz YINPYYOCRFQBLX-KVZIAJEVSA-N 1 0 328.456 4.133 20 30 EIEDRO Cc1cc(C[N@H+](C)Cc2ccc(Br)s2)ccc1C#N ZINC000486809768 1036859793 /nfs/dbraw/zinc/85/97/93/1036859793.db2.gz GWWPMCDBEFGBEC-UHFFFAOYSA-N 1 0 335.270 4.323 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]CCc1c[nH]c2ccc(OC)cc12 ZINC000603516487 1036872459 /nfs/dbraw/zinc/87/24/59/1036872459.db2.gz VXNLCBVNILFYQC-UHFFFAOYSA-N 1 0 336.435 4.074 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000589820204 1036882536 /nfs/dbraw/zinc/88/25/36/1036882536.db2.gz DOGRUGCTMRLWDO-UHFFFAOYSA-N 1 0 336.233 4.010 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@H]3C[C@H]3c3ccccc3)C2)c(F)c1 ZINC000503042764 1036883309 /nfs/dbraw/zinc/88/33/09/1036883309.db2.gz IPQZMOJUZHWNLM-AABGKKOBSA-N 1 0 349.453 4.059 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccsc3Cl)CC2)c1 ZINC000593692556 1036891306 /nfs/dbraw/zinc/89/13/06/1036891306.db2.gz FLSMWEZQPAXCJG-UHFFFAOYSA-N 1 0 345.899 4.027 20 30 EIEDRO N#CCCN1CC[NH+](Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000603580872 1036893554 /nfs/dbraw/zinc/89/35/54/1036893554.db2.gz KLZVMKFVDKZKIR-UHFFFAOYSA-N 1 0 345.899 4.100 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(OCCc3ccccc3)CC2)cc1C#N ZINC000599282896 1036933106 /nfs/dbraw/zinc/93/31/06/1036933106.db2.gz OOQRMOUBPITIIR-UHFFFAOYSA-N 1 0 334.463 4.090 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000593722123 1036937699 /nfs/dbraw/zinc/93/76/99/1036937699.db2.gz UKNUDZYKUNVIQG-SFHVURJKSA-N 1 0 333.479 4.182 20 30 EIEDRO CC[C@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)c1ccc(C#N)cc1 ZINC000593721808 1036938853 /nfs/dbraw/zinc/93/88/53/1036938853.db2.gz LVBUPYNWIVZZFE-SFTDATJTSA-N 1 0 344.462 4.316 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000599355277 1036967816 /nfs/dbraw/zinc/96/78/16/1036967816.db2.gz XQMQMOSESXRWHO-FOIQADDNSA-N 1 0 338.426 4.198 20 30 EIEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)CC1 ZINC000599353559 1036968311 /nfs/dbraw/zinc/96/83/11/1036968311.db2.gz ISOBXLRAELRUIQ-MSOLQXFVSA-N 1 0 332.875 4.216 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C#N ZINC000599351084 1036968992 /nfs/dbraw/zinc/96/89/92/1036968992.db2.gz XABSCTNYYIOYBR-HNNXBMFYSA-N 1 0 333.435 4.066 20 30 EIEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000599371191 1036970534 /nfs/dbraw/zinc/97/05/34/1036970534.db2.gz NESUJCYXJNVACO-RTWAWAEBSA-N 1 0 338.426 4.358 20 30 EIEDRO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000599357416 1036974193 /nfs/dbraw/zinc/97/41/93/1036974193.db2.gz TXDCSYDBEHSYLD-IRXDYDNUSA-N 1 0 334.891 4.462 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1 ZINC000590190453 1037008598 /nfs/dbraw/zinc/00/85/98/1037008598.db2.gz DYUFKWKSNOYYTN-YOEHRIQHSA-N 1 0 348.874 4.203 20 30 EIEDRO Cc1ccc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1C#N ZINC000599434645 1037010668 /nfs/dbraw/zinc/01/06/68/1037010668.db2.gz DUGBHQJEXPSXQV-GOSISDBHSA-N 1 0 349.261 4.171 20 30 EIEDRO Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1C#N ZINC000599437853 1037010868 /nfs/dbraw/zinc/01/08/68/1037010868.db2.gz UBQVUSFLNWXEFP-OAQYLSRUSA-N 1 0 332.447 4.220 20 30 EIEDRO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C1CCCCC1 ZINC000603849158 1037042355 /nfs/dbraw/zinc/04/23/55/1037042355.db2.gz NTXFBQLJJIPALC-UHFFFAOYSA-N 1 0 341.499 4.205 20 30 EIEDRO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583579 1037085196 /nfs/dbraw/zinc/08/51/96/1037085196.db2.gz SHBLEUPFCVCVAT-DLBZAZTESA-N 1 0 334.504 4.150 20 30 EIEDRO N#Cc1ccc(C2([NH2+]CC[C@H]3CCc4ccccc43)CCOCC2)cc1 ZINC000599629368 1037100803 /nfs/dbraw/zinc/10/08/03/1037100803.db2.gz DVVIKLPCEPLCBJ-HXUWFJFHSA-N 1 0 346.474 4.274 20 30 EIEDRO C[C@@H](NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000590646854 1037129926 /nfs/dbraw/zinc/12/99/26/1037129926.db2.gz LWZIPIJRBLLTMB-RTBURBONSA-N 1 0 347.506 4.304 20 30 EIEDRO N#CCc1cccc2c1CC[N@@H+](CC1CCC(C(F)(F)F)CC1)C2 ZINC000599678374 1037130217 /nfs/dbraw/zinc/13/02/17/1037130217.db2.gz PNKCVGOWEAPPLW-UHFFFAOYSA-N 1 0 336.401 4.479 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000604046889 1037163811 /nfs/dbraw/zinc/16/38/11/1037163811.db2.gz CNWNHJHRNYQJIR-KBPBESRZSA-N 1 0 341.842 4.198 20 30 EIEDRO COCC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccco1 ZINC000272482084 1037201887 /nfs/dbraw/zinc/20/18/87/1037201887.db2.gz AZUXLWOINQSDAB-OBXNSHGQSA-N 1 0 338.451 4.351 20 30 EIEDRO N#CC1(CC[NH+]2CCC(CC(=O)NC3CCCC3)CC2)CCCCC1 ZINC000591011795 1037259368 /nfs/dbraw/zinc/25/93/68/1037259368.db2.gz DIAYYVBMVJNCSN-UHFFFAOYSA-N 1 0 345.531 4.011 20 30 EIEDRO C=CCC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000467305368 1037300839 /nfs/dbraw/zinc/30/08/39/1037300839.db2.gz SGFKMOHYFXDNBU-FQEVSTJZSA-N 1 0 342.870 4.054 20 30 EIEDRO Cc1ccc(-c2noc([C@@H](C)[NH2+]CC(C)(C)CCC#N)n2)cc1F ZINC000488004093 1037320383 /nfs/dbraw/zinc/32/03/83/1037320383.db2.gz DXLHZNDBRFYMKL-CYBMUJFWSA-N 1 0 330.407 4.165 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC000591191157 1037321179 /nfs/dbraw/zinc/32/11/79/1037321179.db2.gz DYZVQDOBKKNZKV-IBGZPJMESA-N 1 0 330.472 4.091 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(COC)cc2)ccc1OC ZINC000057960750 1037357059 /nfs/dbraw/zinc/35/70/59/1037357059.db2.gz ZWPSPBZBKQWUJS-UHFFFAOYSA-N 1 0 341.451 4.086 20 30 EIEDRO CCN(Cc1ccccc1C#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000604490092 1037403480 /nfs/dbraw/zinc/40/34/80/1037403480.db2.gz ZJNSXWNZUYZQQN-GCJKJVERSA-N 1 0 333.479 4.216 20 30 EIEDRO C=CCCCCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000488239197 1037442215 /nfs/dbraw/zinc/44/22/15/1037442215.db2.gz YJAGWLJRGWMKHA-GOSISDBHSA-N 1 0 330.472 4.153 20 30 EIEDRO C=CC[N@@H+](C[C@H](C)c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000604885273 1037576335 /nfs/dbraw/zinc/57/63/35/1037576335.db2.gz WPLGVEQXPHKNOC-ZWKOTPCHSA-N 1 0 347.466 4.015 20 30 EIEDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC000573618784 1037601481 /nfs/dbraw/zinc/60/14/81/1037601481.db2.gz XZVNDAWDBRLTRM-KRWDZBQOSA-N 1 0 338.426 4.161 20 30 EIEDRO N#Cc1cnccc1C[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000592123006 1037735259 /nfs/dbraw/zinc/73/52/59/1037735259.db2.gz OVXFKWVGPYLLAQ-OAHLLOKOSA-N 1 0 345.368 4.352 20 30 EIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000488751432 1037736477 /nfs/dbraw/zinc/73/64/77/1037736477.db2.gz WEHDQSHSBHARMO-HXUWFJFHSA-N 1 0 336.435 4.085 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1SC)C(C)C ZINC000503442670 1037769775 /nfs/dbraw/zinc/76/97/75/1037769775.db2.gz SSLNPXKXWXXVBK-KRWDZBQOSA-N 1 0 347.528 4.229 20 30 EIEDRO N#CCC1(C[NH2+]Cc2cccc(OCc3ccc(F)cc3F)c2)CC1 ZINC000592366580 1037776675 /nfs/dbraw/zinc/77/66/75/1037776675.db2.gz CVILUMJVIIQBAN-UHFFFAOYSA-N 1 0 342.389 4.327 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000129370769 1037814424 /nfs/dbraw/zinc/81/44/24/1037814424.db2.gz XDBMZMFQGRLLEU-FUHWJXTLSA-N 1 0 345.874 4.194 20 30 EIEDRO CC[C@H]1C[C@H](C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCO1 ZINC000503603452 1037835181 /nfs/dbraw/zinc/83/51/81/1037835181.db2.gz TYDATYRBZIUJNN-OTBHMBEGSA-N 1 0 342.483 4.043 20 30 EIEDRO C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2cccc(C[C@@H](C#N)CO)c2)c1 ZINC000592984976 1037897261 /nfs/dbraw/zinc/89/72/61/1037897261.db2.gz DFQNAXWKHLCIRZ-XLIONFOSSA-N 1 0 334.463 4.012 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363609 1037913745 /nfs/dbraw/zinc/91/37/45/1037913745.db2.gz FZNQCAOZNJBXHH-XMSQKQJNSA-N 1 0 345.490 4.406 20 30 EIEDRO C[C@@H](CCCC(F)(F)F)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000574226309 1037957133 /nfs/dbraw/zinc/95/71/33/1037957133.db2.gz ZRDNCUQYYLVUOU-AWEZNQCLSA-N 1 0 339.405 4.238 20 30 EIEDRO C=CCN(CC=C)C(=O)C[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000607158824 1037975683 /nfs/dbraw/zinc/97/56/83/1037975683.db2.gz FWXHSBGKAIOZGX-SFHVURJKSA-N 1 0 326.484 4.050 20 30 EIEDRO C[C@H]1C[C@H]1c1noc(CC2CC[NH+](CCCCC(C)(C)C#N)CC2)n1 ZINC000593075152 1037980211 /nfs/dbraw/zinc/98/02/11/1037980211.db2.gz ANJGSMBWUZWCNN-DOTOQJQBSA-N 1 0 344.503 4.168 20 30 EIEDRO N#Cc1ccc(CN2CC=C(c3ccccc3C(F)(F)F)CC2)nc1 ZINC000593965662 1038012928 /nfs/dbraw/zinc/01/29/28/1038012928.db2.gz IKMXHRKPMUPHNO-UHFFFAOYSA-N 1 0 343.352 4.261 20 30 EIEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075740859 1038066008 /nfs/dbraw/zinc/06/60/08/1038066008.db2.gz KCDSMVWGJPYBDY-HXUWFJFHSA-N 1 0 346.434 4.437 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC4(CCCCC4)C3)o2)c1 ZINC000075739048 1038069738 /nfs/dbraw/zinc/06/97/38/1038069738.db2.gz KREFQCLVBHXFTA-UHFFFAOYSA-N 1 0 336.439 4.155 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)cc1OCCCC#N ZINC000593661302 1038120316 /nfs/dbraw/zinc/12/03/16/1038120316.db2.gz XEFIARMRMIHAJL-DLBZAZTESA-N 1 0 330.472 4.292 20 30 EIEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1cc(OC)c(OC)c(OC)c1 ZINC000593710670 1038137911 /nfs/dbraw/zinc/13/79/11/1038137911.db2.gz JLTUZNMYOLPQPJ-HNNXBMFYSA-N 1 0 334.460 4.083 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000594009881 1038202427 /nfs/dbraw/zinc/20/24/27/1038202427.db2.gz NSRQDGRIKXTTJG-KRWDZBQOSA-N 1 0 349.478 4.217 20 30 EIEDRO CC(C)(C#N)CCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594035275 1038237438 /nfs/dbraw/zinc/23/74/38/1038237438.db2.gz NQNAKDSMNWZULT-UHFFFAOYSA-N 1 0 326.362 4.494 20 30 EIEDRO COc1cncc(/C=C\CC[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594034970 1038254428 /nfs/dbraw/zinc/25/44/28/1038254428.db2.gz HNTFSYAEJWLFPS-DJWKRKHSSA-N 1 0 333.435 4.034 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3CC3CCCC3)o2)cc1 ZINC000594054651 1038295423 /nfs/dbraw/zinc/29/54/23/1038295423.db2.gz UYRUWXKLAZIVGF-SFHVURJKSA-N 1 0 336.439 4.153 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccccc1 ZINC000574582758 1038297526 /nfs/dbraw/zinc/29/75/26/1038297526.db2.gz WDJRMRSSXFJPKK-FQEVSTJZSA-N 1 0 332.447 4.336 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000606966324 1038324014 /nfs/dbraw/zinc/32/40/14/1038324014.db2.gz KZVRWDAPPLPZAB-FQEVSTJZSA-N 1 0 343.515 4.211 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000594433532 1038332998 /nfs/dbraw/zinc/33/29/98/1038332998.db2.gz GJNLVYOSUXZFRC-ZWKOTPCHSA-N 1 0 347.890 4.099 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000594494173 1038342491 /nfs/dbraw/zinc/34/24/91/1038342491.db2.gz VTOIOYBPBOZJHR-UHFFFAOYSA-N 1 0 330.378 4.379 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccnc2OC2CCCC2)cc1 ZINC000594496038 1038345488 /nfs/dbraw/zinc/34/54/88/1038345488.db2.gz XXMNWLNUGQTQAG-UHFFFAOYSA-N 1 0 349.478 4.494 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000594496799 1038347313 /nfs/dbraw/zinc/34/73/13/1038347313.db2.gz WBVBSPHRCKYEOA-NHCUHLMSSA-N 1 0 334.463 4.498 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000594504563 1038350711 /nfs/dbraw/zinc/35/07/11/1038350711.db2.gz PISAJPMWOXXSBT-VBKZILBWSA-N 1 0 334.419 4.073 20 30 EIEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594520084 1038361974 /nfs/dbraw/zinc/36/19/74/1038361974.db2.gz YQUPEBGJUXLILY-OAHLLOKOSA-N 1 0 333.435 4.247 20 30 EIEDRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606127 1038379527 /nfs/dbraw/zinc/37/95/27/1038379527.db2.gz FPSBIIPGKJGHBZ-UHFFFAOYSA-N 1 0 341.524 4.113 20 30 EIEDRO COc1nc2ccccc2cc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594626563 1038380835 /nfs/dbraw/zinc/38/08/35/1038380835.db2.gz ZENMIXPQKRSADW-UHFFFAOYSA-N 1 0 343.430 4.284 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CCCO[C@H]3c3ccccc3)cc2)CC1 ZINC000594918676 1038426097 /nfs/dbraw/zinc/42/60/97/1038426097.db2.gz RJARSSKUPRUPPY-IRLDBZIGSA-N 1 0 346.474 4.499 20 30 EIEDRO Cc1cccc2oc(CC[NH2+]Cc3ccc(C4(C#N)CC4)cc3)nc21 ZINC000594930184 1038428880 /nfs/dbraw/zinc/42/88/80/1038428880.db2.gz UCVSNPVOUOPEGF-UHFFFAOYSA-N 1 0 331.419 4.024 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000594930026 1038435408 /nfs/dbraw/zinc/43/54/08/1038435408.db2.gz ROBZOMWQOXRBBP-KRWDZBQOSA-N 1 0 342.446 4.278 20 30 EIEDRO C[NH+](C)CCCOc1cccc(NCc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594933480 1038494266 /nfs/dbraw/zinc/49/42/66/1038494266.db2.gz GOCNMAXHTKPYSQ-UHFFFAOYSA-N 1 0 349.478 4.184 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000594943515 1038508385 /nfs/dbraw/zinc/50/83/85/1038508385.db2.gz KGFYUNZWNZDRLP-UHFFFAOYSA-N 1 0 335.407 4.175 20 30 EIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594945126 1038518825 /nfs/dbraw/zinc/51/88/25/1038518825.db2.gz MJCHLLMGXWCXOY-HNNXBMFYSA-N 1 0 336.483 4.353 20 30 EIEDRO C[C@H](CCOCc1ccccc1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594953968 1038533031 /nfs/dbraw/zinc/53/30/31/1038533031.db2.gz KSPNBLZKAXZKHN-GOSISDBHSA-N 1 0 334.463 4.327 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C3(Cc4ccccc4)CCOCC3)cc2)CC1 ZINC000594958817 1038533210 /nfs/dbraw/zinc/53/32/10/1038533210.db2.gz PMBQAJLHQHKGNY-UHFFFAOYSA-N 1 0 346.474 4.123 20 30 EIEDRO Cc1ccc(NCc2ccc(C3(C#N)CC3)cc2)c(OCC[NH+](C)C)c1 ZINC000594956821 1038538602 /nfs/dbraw/zinc/53/86/02/1038538602.db2.gz OFCSOMZKLLBKGO-UHFFFAOYSA-N 1 0 349.478 4.103 20 30 EIEDRO Cn1c(C[NH2+]C(C)(C)c2cccc(C#N)c2)nc2ccc(Cl)cc21 ZINC000594968597 1038552915 /nfs/dbraw/zinc/55/29/15/1038552915.db2.gz JOYHCUSRYFAOTE-UHFFFAOYSA-N 1 0 338.842 4.123 20 30 EIEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000424116830 1038596419 /nfs/dbraw/zinc/59/64/19/1038596419.db2.gz APKILHICJRJLPD-ZWKOTPCHSA-N 1 0 347.890 4.099 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000424299187 1038774611 /nfs/dbraw/zinc/77/46/11/1038774611.db2.gz VBGVQMBYADRLRZ-COXVUDFISA-N 1 0 328.481 4.360 20 30 EIEDRO C[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000424321453 1038802410 /nfs/dbraw/zinc/80/24/10/1038802410.db2.gz IQJRHTIJSRNMIL-ZDUSSCGKSA-N 1 0 334.435 4.106 20 30 EIEDRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CC(C)(C)CCC#N ZINC000554978038 1038807162 /nfs/dbraw/zinc/80/71/62/1038807162.db2.gz BVZBKWKISJTLJO-UHFFFAOYSA-N 1 0 328.287 4.479 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCSc3ccc(Br)cc32)C1 ZINC000424336682 1038810987 /nfs/dbraw/zinc/81/09/87/1038810987.db2.gz YHFCCVIISPFMFB-ZKYQVNSYSA-N 1 0 337.286 4.268 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424349134 1038818079 /nfs/dbraw/zinc/81/80/79/1038818079.db2.gz MXRPSBDDVCZUMJ-ABHNRTSZSA-N 1 0 325.481 4.346 20 30 EIEDRO COc1cc(C[NH2+]Cc2cnc(-c3ccc(C)cc3)s2)ccc1C#N ZINC000554982380 1038818327 /nfs/dbraw/zinc/81/83/27/1038818327.db2.gz PKEAFGWVOSZUOC-UHFFFAOYSA-N 1 0 349.459 4.289 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc(F)c2)ccc1OC ZINC000174091539 1038841070 /nfs/dbraw/zinc/84/10/70/1038841070.db2.gz FCFLFALAPBYAAU-KBXCAEBGSA-N 1 0 342.414 4.366 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(F)c2)ccc1OC ZINC000174091567 1038841506 /nfs/dbraw/zinc/84/15/06/1038841506.db2.gz FCFLFALAPBYAAU-RDTXWAMCSA-N 1 0 342.414 4.366 20 30 EIEDRO Cc1ccc(C(=O)CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000480872575 1038850014 /nfs/dbraw/zinc/85/00/14/1038850014.db2.gz ODKRKDZTJIABAL-UHFFFAOYSA-N 1 0 330.431 4.229 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000237918965 1038865747 /nfs/dbraw/zinc/86/57/47/1038865747.db2.gz RQIGQFJYYXOWCK-UHFFFAOYSA-N 1 0 336.382 4.460 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3Cl)CC2)cc1 ZINC000237919665 1038866657 /nfs/dbraw/zinc/86/66/57/1038866657.db2.gz OCZDQCPYMOCFKW-UHFFFAOYSA-N 1 0 325.843 4.288 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000505017215 1038888635 /nfs/dbraw/zinc/88/86/35/1038888635.db2.gz SIHQDKXIYUKPIY-SFHVURJKSA-N 1 0 331.504 4.293 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000505028667 1038899258 /nfs/dbraw/zinc/89/92/58/1038899258.db2.gz HUDDDMXJAXAFOH-GOSISDBHSA-N 1 0 343.496 4.291 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000505028668 1038899576 /nfs/dbraw/zinc/89/95/76/1038899576.db2.gz HUDDDMXJAXAFOH-SFHVURJKSA-N 1 0 343.496 4.291 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000505034629 1038906838 /nfs/dbraw/zinc/90/68/38/1038906838.db2.gz FMFFGYYBUCMWDN-FUHWJXTLSA-N 1 0 329.488 4.142 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000539280208 1038910274 /nfs/dbraw/zinc/91/02/74/1038910274.db2.gz XEORHQYBIVHXSL-TZIWHRDSSA-N 1 0 343.442 4.035 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000505056426 1038926575 /nfs/dbraw/zinc/92/65/75/1038926575.db2.gz BHFJSIWHIVNJKE-SFTDATJTSA-N 1 0 349.478 4.372 20 30 EIEDRO C=CCCC1(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000555177238 1038933631 /nfs/dbraw/zinc/93/36/31/1038933631.db2.gz MMCPCHZXLOSZRY-FQEVSTJZSA-N 1 0 340.511 4.151 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000088670190 1038978218 /nfs/dbraw/zinc/97/82/18/1038978218.db2.gz CMGCKNJYWOMFDW-FQEVSTJZSA-N 1 0 333.435 4.062 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000174587749 1038997821 /nfs/dbraw/zinc/99/78/21/1038997821.db2.gz NCYHKFZMUQBTRN-GJZGRUSLSA-N 1 0 344.842 4.188 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000539388998 1039043370 /nfs/dbraw/zinc/04/33/70/1039043370.db2.gz VZFHFAJYJDFDOR-NLWGTHIKSA-N 1 0 343.515 4.084 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000424740408 1039047617 /nfs/dbraw/zinc/04/76/17/1039047617.db2.gz RFWULDNYJDVPRC-UXHICEINSA-N 1 0 340.511 4.102 20 30 EIEDRO Cc1ccc(C[C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000552044196 1039065793 /nfs/dbraw/zinc/06/57/93/1039065793.db2.gz UIDWJIABXFXBSR-LJQANCHMSA-N 1 0 347.506 4.365 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCCC2(C)C)c1C ZINC000481178879 1039080487 /nfs/dbraw/zinc/08/04/87/1039080487.db2.gz XHFMQYAXNHZDGL-LJQANCHMSA-N 1 0 341.499 4.109 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477863415 1039144184 /nfs/dbraw/zinc/14/41/84/1039144184.db2.gz SMLYAMSRLBMXFE-UONOGXRCSA-N 1 0 344.480 4.287 20 30 EIEDRO C=C(C)C[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000481311192 1039263595 /nfs/dbraw/zinc/26/35/95/1039263595.db2.gz DISNTBFCPUOWMP-HXUWFJFHSA-N 1 0 342.508 4.024 20 30 EIEDRO C=CCOc1c(Cl)cc(CN(C[C@@H](C)C#N)C2CC2)cc1OC ZINC000600121969 1039309238 /nfs/dbraw/zinc/30/92/38/1039309238.db2.gz YYAIDZNBFVUUFR-ZDUSSCGKSA-N 1 0 334.847 4.037 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cccc(F)c1F ZINC000552276541 1039353158 /nfs/dbraw/zinc/35/31/58/1039353158.db2.gz AQRQJXBGEHUNPJ-CQSZACIVSA-N 1 0 341.405 4.156 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cccc(F)c1F ZINC000552276540 1039355078 /nfs/dbraw/zinc/35/50/78/1039355078.db2.gz AQRQJXBGEHUNPJ-AWEZNQCLSA-N 1 0 341.405 4.156 20 30 EIEDRO C/C=C/C[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600212204 1039373805 /nfs/dbraw/zinc/37/38/05/1039373805.db2.gz CUQHCNMIPYPKHP-DCKQQPRJSA-N 1 0 349.482 4.037 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000481399944 1039374857 /nfs/dbraw/zinc/37/48/57/1039374857.db2.gz BEKFZNVRCDUYQH-DJJJIMSYSA-N 1 0 344.842 4.086 20 30 EIEDRO CC(C)c1[nH+]c(CN2CCc3c(CC#N)cccc3C2)c2ccccn21 ZINC000600213755 1039378498 /nfs/dbraw/zinc/37/84/98/1039378498.db2.gz YOWGQNDCOUYSES-UHFFFAOYSA-N 1 0 344.462 4.082 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c(C(F)(F)F)c1 ZINC000600214444 1039388089 /nfs/dbraw/zinc/38/80/89/1039388089.db2.gz QHZNARWRKCHAED-OAHLLOKOSA-N 1 0 346.352 4.272 20 30 EIEDRO CCCC(C#N)(CCC)NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000121699179 1039424997 /nfs/dbraw/zinc/42/49/97/1039424997.db2.gz OCIWVHNZQKPXAX-UHFFFAOYSA-N 1 0 341.499 4.263 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]2C2CCC2)c(-c2ccccc2)n1 ZINC000092780811 1039586752 /nfs/dbraw/zinc/58/67/52/1039586752.db2.gz RTZCPZQBQHISSL-FQEVSTJZSA-N 1 0 334.467 4.228 20 30 EIEDRO C=CCCCC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456797515 1039591753 /nfs/dbraw/zinc/59/17/53/1039591753.db2.gz XEPVWBSDLUXKGD-UHFFFAOYSA-N 1 0 336.863 4.108 20 30 EIEDRO COc1ccccc1CC[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093105154 1039635738 /nfs/dbraw/zinc/63/57/38/1039635738.db2.gz RPVDBUAVLMIEMU-UHFFFAOYSA-N 1 0 338.451 4.052 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCc1nc2ccccc2n1C)c1ccc(F)c(F)c1 ZINC000481626139 1039657232 /nfs/dbraw/zinc/65/72/32/1039657232.db2.gz LJIRUWDOTRZJKO-FQEVSTJZSA-N 1 0 341.405 4.301 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481644595 1039674933 /nfs/dbraw/zinc/67/49/33/1039674933.db2.gz LYDMOEZMQXOVGB-GOSISDBHSA-N 1 0 343.515 4.066 20 30 EIEDRO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1CCCCc3cc(C#N)ccc31)CC2 ZINC000481675782 1039728159 /nfs/dbraw/zinc/72/81/59/1039728159.db2.gz IKCZVPJMKDESLG-CTNGQTDRSA-N 1 0 348.494 4.250 20 30 EIEDRO N#CCCCOc1cccc(C[NH+]2CCC(C3CCOCC3)CC2)c1 ZINC000093705013 1039738351 /nfs/dbraw/zinc/73/83/51/1039738351.db2.gz LRCSVLHEVAFFJR-UHFFFAOYSA-N 1 0 342.483 4.008 20 30 EIEDRO N#CCCCC[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481721540 1039786266 /nfs/dbraw/zinc/78/62/66/1039786266.db2.gz XOYNNKCUEAOWCQ-OAHLLOKOSA-N 1 0 325.225 4.323 20 30 EIEDRO C=CCOc1ccc(CN2CC[C@@H](C[NH+](CC)CC)C2)cc1Cl ZINC000537647315 1039808629 /nfs/dbraw/zinc/80/86/29/1039808629.db2.gz LMHIQOGTLWLSMN-KRWDZBQOSA-N 1 0 336.907 4.069 20 30 EIEDRO C=CCC(C)(C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000478560402 1039825194 /nfs/dbraw/zinc/82/51/94/1039825194.db2.gz LRYGVECBLDHLRS-UXHICEINSA-N 1 0 340.511 4.102 20 30 EIEDRO C=CCOc1cccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)c1 ZINC000064027855 1039825838 /nfs/dbraw/zinc/82/58/38/1039825838.db2.gz ZDWRLHMXVJSLBA-UHFFFAOYSA-N 1 0 336.435 4.100 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000157691790 1039842983 /nfs/dbraw/zinc/84/29/83/1039842983.db2.gz YUYJWFLFPDFXIH-QGZVFWFLSA-N 1 0 334.341 4.102 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1OC ZINC000430107674 1039849009 /nfs/dbraw/zinc/84/90/09/1039849009.db2.gz SPOCUAPJBIWZEP-ZWKOTPCHSA-N 1 0 337.410 4.127 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCC(C)(C)C#N ZINC000481831818 1039850949 /nfs/dbraw/zinc/85/09/49/1039850949.db2.gz NHKPSEKWEQMHSE-BBWFWOEESA-N 1 0 334.504 4.291 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCC(C)(C)C#N ZINC000481831819 1039851619 /nfs/dbraw/zinc/85/16/19/1039851619.db2.gz NHKPSEKWEQMHSE-IKGGRYGDSA-N 1 0 334.504 4.291 20 30 EIEDRO C=CC[NH+]1CCC(N[C@H](C)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000924984467 1039873904 /nfs/dbraw/zinc/87/39/04/1039873904.db2.gz VOGUNYFRLRHMHQ-LLVKDONJSA-N 1 0 347.812 4.055 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000442691368 1039880866 /nfs/dbraw/zinc/88/08/66/1039880866.db2.gz LTJPSOJVSZORMW-WMLDXEAASA-N 1 0 326.827 4.426 20 30 EIEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281869172 1039883387 /nfs/dbraw/zinc/88/33/87/1039883387.db2.gz CDBIAWVJLQZDFD-QUCCMNQESA-N 1 0 326.484 4.040 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C3CC3)c(C)c2)CC1 ZINC000481905737 1039896607 /nfs/dbraw/zinc/89/66/07/1039896607.db2.gz APVPYWXKYHFZCF-UHFFFAOYSA-N 1 0 327.472 4.034 20 30 EIEDRO CC[C@H]([NH2+]CC[C@@H]1CC[C@H](C(F)(F)F)O1)c1cccc(C#N)c1 ZINC000926904334 1039970545 /nfs/dbraw/zinc/97/05/45/1039970545.db2.gz GNHZODRAJBSUSO-HRCADAONSA-N 1 0 326.362 4.099 20 30 EIEDRO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCc1nccs1 ZINC000159419192 1039992530 /nfs/dbraw/zinc/99/25/30/1039992530.db2.gz YDQMCQRSDRSASA-UHFFFAOYSA-N 1 0 338.398 4.078 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(n3ccc(C)n3)CC2)cc1Cl ZINC000435040160 1040010973 /nfs/dbraw/zinc/01/09/73/1040010973.db2.gz KNSWBNCDNCPEDT-UHFFFAOYSA-N 1 0 345.874 4.247 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000514589031 1040037787 /nfs/dbraw/zinc/03/77/87/1040037787.db2.gz DLIRUMQQDPIMAW-OKZBNKHCSA-N 1 0 341.499 4.048 20 30 EIEDRO CC#CCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000482153744 1040042128 /nfs/dbraw/zinc/04/21/28/1040042128.db2.gz BIMTWLCBVXWXIE-UHFFFAOYSA-N 1 0 326.827 4.095 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000476974628 1040080377 /nfs/dbraw/zinc/08/03/77/1040080377.db2.gz POLDMICNGGEMJH-QGZVFWFLSA-N 1 0 343.490 4.174 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)CC1 ZINC000457539694 1040094896 /nfs/dbraw/zinc/09/48/96/1040094896.db2.gz HVXUUJKJKSFLAN-UHFFFAOYSA-N 1 0 348.918 4.065 20 30 EIEDRO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428780812 1040197491 /nfs/dbraw/zinc/19/74/91/1040197491.db2.gz CZSUWDXXQTWVCX-MSOLQXFVSA-N 1 0 341.842 4.211 20 30 EIEDRO C=C[C@H](CC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000535339820 1040205615 /nfs/dbraw/zinc/20/56/15/1040205615.db2.gz JFUZCLIQJSWLFW-RCLSDMTESA-N 1 0 340.511 4.210 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000249093034 1040212280 /nfs/dbraw/zinc/21/22/80/1040212280.db2.gz DTKLUOZOKIJGGP-QUCCMNQESA-N 1 0 325.500 4.063 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000514796422 1040236231 /nfs/dbraw/zinc/23/62/31/1040236231.db2.gz PZHCBWBIJOATFU-MRXNPFEDSA-N 1 0 345.368 4.352 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000477143416 1040256802 /nfs/dbraw/zinc/25/68/02/1040256802.db2.gz WZRSYEDBIBKXFP-HNNXBMFYSA-N 1 0 346.906 4.088 20 30 EIEDRO N#CCc1ccc(CN2CC[C@](F)(c3cc(F)cc(F)c3)C2)cc1 ZINC000551405643 1040265396 /nfs/dbraw/zinc/26/53/96/1040265396.db2.gz WWYAVXBIGMNRHJ-LJQANCHMSA-N 1 0 330.353 4.102 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000435337100 1040290881 /nfs/dbraw/zinc/29/08/81/1040290881.db2.gz SFWYVWYWCIDXJZ-MRXNPFEDSA-N 1 0 345.874 4.168 20 30 EIEDRO CC(C)c1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000479414401 1040336837 /nfs/dbraw/zinc/33/68/37/1040336837.db2.gz CDZUGIIPMUXVGY-UHFFFAOYSA-N 1 0 344.462 4.372 20 30 EIEDRO COc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000425367249 1040347519 /nfs/dbraw/zinc/34/75/19/1040347519.db2.gz SAYQQDUTYCYZBQ-CYBMUJFWSA-N 1 0 344.842 4.422 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000425369217 1040354284 /nfs/dbraw/zinc/35/42/84/1040354284.db2.gz ZIXWUEOMZRFIOK-CQSZACIVSA-N 1 0 336.464 4.213 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000174644052 1040369075 /nfs/dbraw/zinc/36/90/75/1040369075.db2.gz XCPUNWZCYYEXIQ-HUUCEWRRSA-N 1 0 344.842 4.188 20 30 EIEDRO C[C@H](CCC(C)(C)C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000551522153 1040375316 /nfs/dbraw/zinc/37/53/16/1040375316.db2.gz ZVLKWTZBANEYFK-FAEJEUNOSA-N 1 0 329.488 4.448 20 30 EIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](C)c3cccc(C#N)c3)c2C1 ZINC000462244424 1040421121 /nfs/dbraw/zinc/42/11/21/1040421121.db2.gz DTJQDEKLDPETHF-MRXNPFEDSA-N 1 0 347.462 4.272 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462249299 1040436120 /nfs/dbraw/zinc/43/61/20/1040436120.db2.gz UMQAKDYGQTTXTJ-QGZVFWFLSA-N 1 0 347.462 4.205 20 30 EIEDRO C[C@@H](O)C[N@H+](Cc1ccc(C#N)s1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000442964071 1040452804 /nfs/dbraw/zinc/45/28/04/1040452804.db2.gz NPSQIBDVIBIIMO-UONOGXRCSA-N 1 0 348.899 4.087 20 30 EIEDRO CC#CCC[N@@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000462334362 1040486232 /nfs/dbraw/zinc/48/62/32/1040486232.db2.gz JJSRQAXAMHBEDE-KRWDZBQOSA-N 1 0 329.488 4.175 20 30 EIEDRO C[C@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000539500297 1040491257 /nfs/dbraw/zinc/49/12/57/1040491257.db2.gz YSBCYUNORIQRDM-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)o1)Cc1cccc(Br)c1 ZINC000539520152 1040505486 /nfs/dbraw/zinc/50/54/86/1040505486.db2.gz SDGGMDJZWUFEBO-ZDUSSCGKSA-N 1 0 347.256 4.272 20 30 EIEDRO C=CCC(F)(F)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C[C@H](CC)CCCC ZINC001270000502 1040532255 /nfs/dbraw/zinc/53/22/55/1040532255.db2.gz DYHKMGXJFDDUAG-IKGGRYGDSA-N 1 0 342.474 4.089 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCCSC3)c2)c1 ZINC000553855444 1040572857 /nfs/dbraw/zinc/57/28/57/1040572857.db2.gz MSEHCMHLOIHZPY-IBGZPJMESA-N 1 0 338.476 4.122 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000435750709 1040584582 /nfs/dbraw/zinc/58/45/82/1040584582.db2.gz OLXLWPZBOWZDRY-UNEWFSDZSA-N 1 0 338.289 4.123 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](C)c1cccc(Br)c1 ZINC000435750708 1040585343 /nfs/dbraw/zinc/58/53/43/1040585343.db2.gz OLXLWPZBOWZDRY-QRTARXTBSA-N 1 0 338.289 4.123 20 30 EIEDRO C=CCC[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000553864837 1040594736 /nfs/dbraw/zinc/59/47/36/1040594736.db2.gz ALZQDTIUHRFQQV-NQIIRXRSSA-N 1 0 340.511 4.069 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000539602261 1040600784 /nfs/dbraw/zinc/60/07/84/1040600784.db2.gz FQECCQGHLNOCOH-GFCCVEGCSA-N 1 0 334.341 4.192 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000539610477 1040607679 /nfs/dbraw/zinc/60/76/79/1040607679.db2.gz YBJDYTDKQPOMFJ-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)c(F)c1 ZINC000539610484 1040608124 /nfs/dbraw/zinc/60/81/24/1040608124.db2.gz YKEBSEHKQPHLSN-PBHICJAKSA-N 1 0 341.405 4.156 20 30 EIEDRO COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(F)c(C#N)c2)c1 ZINC000160577135 1040612127 /nfs/dbraw/zinc/61/21/27/1040612127.db2.gz HLTZUUWBJHYMLS-IBGZPJMESA-N 1 0 340.398 4.052 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(NC3(c4cccc(C#N)c4)CC3)CC2)C1 ZINC000551811109 1040619808 /nfs/dbraw/zinc/61/98/08/1040619808.db2.gz FHFFYWDNACFWFJ-UWJYYQICSA-N 1 0 337.511 4.180 20 30 EIEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)CC12CCCCC2 ZINC000462464223 1040624846 /nfs/dbraw/zinc/62/48/46/1040624846.db2.gz OAIBUVNGTKWWBG-OAHLLOKOSA-N 1 0 345.512 4.241 20 30 EIEDRO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000483291738 1040808340 /nfs/dbraw/zinc/80/83/40/1040808340.db2.gz RMAYHVUVVPGXTJ-SCLBCKFNSA-N 1 0 347.384 4.499 20 30 EIEDRO CCCCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000515549212 1040845777 /nfs/dbraw/zinc/84/57/77/1040845777.db2.gz NNJAIOQMXOEBSE-UHFFFAOYSA-N 1 0 349.906 4.487 20 30 EIEDRO C[C@H](c1ccsc1)[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000462703733 1040854573 /nfs/dbraw/zinc/85/45/73/1040854573.db2.gz LWWTXZDAUUPDDW-CYBMUJFWSA-N 1 0 331.872 4.156 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(Br)n1)c1ccc(C#N)cc1 ZINC000924786798 1040869781 /nfs/dbraw/zinc/86/97/81/1040869781.db2.gz SYEXITQZAQJBAP-VXGBXAGGSA-N 1 0 330.229 4.128 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)Oc2ccccc2C)cc1OC ZINC000462739119 1040883221 /nfs/dbraw/zinc/88/32/21/1040883221.db2.gz VICJPHDFDOEWGY-KRWDZBQOSA-N 1 0 341.451 4.126 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2C[C@H](OCC)C23CCC3)ccc1OC ZINC000462765598 1040903351 /nfs/dbraw/zinc/90/33/51/1040903351.db2.gz JDMXRKFCKIHXBG-UXHICEINSA-N 1 0 345.483 4.087 20 30 EIEDRO N#Cc1cc(Br)ccc1CN1CC[C@@H](CC(F)(F)F)C1 ZINC000554265098 1040925606 /nfs/dbraw/zinc/92/56/06/1040925606.db2.gz OSPPCSMKBFGEOE-JTQLQIEISA-N 1 0 347.178 4.095 20 30 EIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000537946404 1040939669 /nfs/dbraw/zinc/93/96/69/1040939669.db2.gz DDZQMZAFDCOMDR-DNVCBOLYSA-N 1 0 333.435 4.267 20 30 EIEDRO Oc1ccc2c(c1)[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)CCC2 ZINC000462814328 1040987327 /nfs/dbraw/zinc/98/73/27/1040987327.db2.gz PBLDEJSVFATOOB-LJQANCHMSA-N 1 0 345.364 4.430 20 30 EIEDRO Cc1ccc2c(C)cc(N3CCO[C@@H](c4cccc(C#N)c4)C3)nc2c1 ZINC000460962613 1041069111 /nfs/dbraw/zinc/06/91/11/1041069111.db2.gz ZMOYKHJXDJGXPC-OAQYLSRUSA-N 1 0 343.430 4.301 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000436306211 1041075625 /nfs/dbraw/zinc/07/56/25/1041075625.db2.gz HMMAOLYBDCXXSR-QRTARXTBSA-N 1 0 327.390 4.207 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000538144140 1041079423 /nfs/dbraw/zinc/07/94/23/1041079423.db2.gz PCNAMXYFQPIVCJ-MRXNPFEDSA-N 1 0 346.430 4.450 20 30 EIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000484076897 1041108535 /nfs/dbraw/zinc/10/85/35/1041108535.db2.gz LIZUZDSTZMKEBP-GOSISDBHSA-N 1 0 347.821 4.083 20 30 EIEDRO CC[C@H](C)[C@@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000538186959 1041147930 /nfs/dbraw/zinc/14/79/30/1041147930.db2.gz DJPQVVARSFDIIE-YZVOILCLSA-N 1 0 349.906 4.025 20 30 EIEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000538186712 1041149323 /nfs/dbraw/zinc/14/93/23/1041149323.db2.gz BBXMFRMBWVFZKY-IBGZPJMESA-N 1 0 341.842 4.137 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000538198279 1041168081 /nfs/dbraw/zinc/16/80/81/1041168081.db2.gz PVYCIFLCTYRESQ-XJKSGUPXSA-N 1 0 346.471 4.101 20 30 EIEDRO Cc1c(F)cccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529390 1041184713 /nfs/dbraw/zinc/18/47/13/1041184713.db2.gz BODOBCYLSVJRAU-HNNXBMFYSA-N 1 0 339.414 4.027 20 30 EIEDRO C[C@H]1C[C@@H](CCNc2c(C#N)cccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000436399880 1041203575 /nfs/dbraw/zinc/20/35/75/1041203575.db2.gz JWWGSDVLKMJJFA-PKOBYXMFSA-N 1 0 344.462 4.143 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000484362803 1041222731 /nfs/dbraw/zinc/22/27/31/1041222731.db2.gz ULPRWBWHCIRNEA-CVEARBPZSA-N 1 0 328.456 4.205 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000538289104 1041225917 /nfs/dbraw/zinc/22/59/17/1041225917.db2.gz CPPSLXKJZVOHBI-JZXOWHBKSA-N 1 0 349.544 4.175 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(c3ccccc3)CC1)CC2 ZINC000515925471 1041255872 /nfs/dbraw/zinc/25/58/72/1041255872.db2.gz WOVITNMYBMYPNB-JOCHJYFZSA-N 1 0 331.463 4.052 20 30 EIEDRO CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538397990 1041316803 /nfs/dbraw/zinc/31/68/03/1041316803.db2.gz IKIBLHFSHOGATD-PZJWPPBQSA-N 1 0 325.500 4.081 20 30 EIEDRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538502968 1041381148 /nfs/dbraw/zinc/38/11/48/1041381148.db2.gz SMICVTVAGVYFJQ-SJLPKXTDSA-N 1 0 329.463 4.391 20 30 EIEDRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538502969 1041381746 /nfs/dbraw/zinc/38/17/46/1041381746.db2.gz SMICVTVAGVYFJQ-WMZOPIPTSA-N 1 0 329.463 4.391 20 30 EIEDRO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]CCCCC#N)cc1 ZINC000484656172 1041385452 /nfs/dbraw/zinc/38/54/52/1041385452.db2.gz TYPRPAYRXZVIRA-UXHICEINSA-N 1 0 330.472 4.449 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480557041 1041391082 /nfs/dbraw/zinc/39/10/82/1041391082.db2.gz RYHGCIFUSCGVCS-IAGOWNOFSA-N 1 0 345.918 4.298 20 30 EIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1F ZINC000538508315 1041396006 /nfs/dbraw/zinc/39/60/06/1041396006.db2.gz HYOJMGDJHCNURU-CZUORRHYSA-N 1 0 330.378 4.345 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(C#N)c(F)c1 ZINC000538508481 1041396615 /nfs/dbraw/zinc/39/66/15/1041396615.db2.gz OLPCUAHJFVNTKQ-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538507704 1041396687 /nfs/dbraw/zinc/39/66/87/1041396687.db2.gz YYKACJIJLQCXMQ-UZLBHIALSA-N 1 0 337.442 4.013 20 30 EIEDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)c(F)c1 ZINC000538512030 1041400342 /nfs/dbraw/zinc/40/03/42/1041400342.db2.gz XJTYGQRIZPTKQO-AWEZNQCLSA-N 1 0 341.386 4.279 20 30 EIEDRO CCC(CC)[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000540375147 1041410147 /nfs/dbraw/zinc/41/01/47/1041410147.db2.gz WPIDSOBVMJWGKA-GOSISDBHSA-N 1 0 347.528 4.158 20 30 EIEDRO C=CCC1(C(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)CCC1 ZINC000480601168 1041412885 /nfs/dbraw/zinc/41/28/85/1041412885.db2.gz LXWYWCLAUBGOJG-UHFFFAOYSA-N 1 0 334.548 4.339 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000540393129 1041425505 /nfs/dbraw/zinc/42/55/05/1041425505.db2.gz FAHKXWQVMQLEID-UONOGXRCSA-N 1 0 335.394 4.276 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000540396597 1041439793 /nfs/dbraw/zinc/43/97/93/1041439793.db2.gz QDAFITCKKGMEIO-HKUYNNGSSA-N 1 0 325.452 4.101 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000540397051 1041440243 /nfs/dbraw/zinc/44/02/43/1041440243.db2.gz NVVJNBHEOVLEGV-IEBWSBKVSA-N 1 0 325.452 4.101 20 30 EIEDRO C[C@@H]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1C ZINC000463237228 1041444976 /nfs/dbraw/zinc/44/49/76/1041444976.db2.gz LIRXBWNZEKSVBC-DBXWQHBBSA-N 1 0 339.527 4.185 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000463242372 1041447994 /nfs/dbraw/zinc/44/79/94/1041447994.db2.gz HUCGWCAKTMAPBO-RTWAWAEBSA-N 1 0 334.463 4.480 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)c1C#N ZINC000538691244 1041476353 /nfs/dbraw/zinc/47/63/53/1041476353.db2.gz SOQCIPZMMKCISU-OAQYLSRUSA-N 1 0 348.446 4.366 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904443918 1041488208 /nfs/dbraw/zinc/48/82/08/1041488208.db2.gz KCDGNRUJHCHNAP-WOJBJXKFSA-N 1 0 349.478 4.285 20 30 EIEDRO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001270130088 1041491650 /nfs/dbraw/zinc/49/16/50/1041491650.db2.gz AIWBIVLLISUIFU-MJGOQNOKSA-N 1 0 328.500 4.006 20 30 EIEDRO C=CC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000538729779 1041501482 /nfs/dbraw/zinc/50/14/82/1041501482.db2.gz UGFOISAXOAVCMP-UHFFFAOYSA-N 1 0 329.362 4.034 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000554951039 1041511701 /nfs/dbraw/zinc/51/17/01/1041511701.db2.gz SZLWYGLNQZLYNK-VQTJNVASSA-N 1 0 339.870 4.055 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)ccc1OC ZINC000554937608 1041511981 /nfs/dbraw/zinc/51/19/81/1041511981.db2.gz LOVDXXGYKMWOTE-IAGOWNOFSA-N 1 0 347.499 4.333 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1-n1cccn1 ZINC000516352776 1041541969 /nfs/dbraw/zinc/54/19/69/1041541969.db2.gz DNNZTOZVRUQPIO-FOIQADDNSA-N 1 0 328.419 4.082 20 30 EIEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904573379 1041542718 /nfs/dbraw/zinc/54/27/18/1041542718.db2.gz VRBWBQLMTMHMEY-UHFFFAOYSA-N 1 0 341.430 4.240 20 30 EIEDRO C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904573306 1041542810 /nfs/dbraw/zinc/54/28/10/1041542810.db2.gz SHRJVWOJDYCRAI-UHFFFAOYSA-N 1 0 337.467 4.143 20 30 EIEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000540593977 1041550362 /nfs/dbraw/zinc/55/03/62/1041550362.db2.gz WXUXMHJPDDWUTE-OXQOHEQNSA-N 1 0 337.442 4.325 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(C#N)cc1 ZINC000540606017 1041559873 /nfs/dbraw/zinc/55/98/73/1041559873.db2.gz AUSMWAVDXNSTFW-YMTQGWHGSA-N 1 0 345.446 4.471 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(C#N)cc1 ZINC000540606008 1041560255 /nfs/dbraw/zinc/56/02/55/1041560255.db2.gz AUSMWAVDXNSTFW-ATIQYGATSA-N 1 0 345.446 4.471 20 30 EIEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)o1)Oc1ccccc1C(F)(F)F ZINC000540611186 1041564344 /nfs/dbraw/zinc/56/43/44/1041564344.db2.gz DGVDTWRQIKLKNC-GFCCVEGCSA-N 1 0 338.329 4.117 20 30 EIEDRO CC[NH+](CC)CC1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000463440015 1041578619 /nfs/dbraw/zinc/57/86/19/1041578619.db2.gz MOLLKQRERLABLS-UHFFFAOYSA-N 1 0 339.405 4.135 20 30 EIEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437091067 1041638384 /nfs/dbraw/zinc/63/83/84/1041638384.db2.gz BZBBWLPVHVBQSJ-AKNQTFSTSA-N 1 0 347.462 4.166 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000437096069 1041642524 /nfs/dbraw/zinc/64/25/24/1041642524.db2.gz MMVNNNYKMLIEBC-TUNPWDSISA-N 1 0 339.483 4.202 20 30 EIEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437099408 1041644619 /nfs/dbraw/zinc/64/46/19/1041644619.db2.gz RKRCKHHUJWJOSV-AMZMEHNNSA-N 1 0 349.478 4.425 20 30 EIEDRO CCCC[C@@H](CC)CN1CCO[C@@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001280183633 1041776303 /nfs/dbraw/zinc/77/63/03/1041776303.db2.gz ADTBZSDUBKGULW-NHCUHLMSSA-N 1 0 349.563 4.063 20 30 EIEDRO N#CCC1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000541020347 1041783598 /nfs/dbraw/zinc/78/35/98/1041783598.db2.gz PAOGUVJRYFKTDC-UHFFFAOYSA-N 1 0 340.389 4.490 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000517379999 1041983842 /nfs/dbraw/zinc/98/38/42/1041983842.db2.gz QTGYCWVCGILBGO-UHFFFAOYSA-N 1 0 342.270 4.074 20 30 EIEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000438063850 1042036443 /nfs/dbraw/zinc/03/64/43/1042036443.db2.gz DIYBQODJFMTOMX-LAUBAEHRSA-N 1 0 344.499 4.228 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000469377799 1042048708 /nfs/dbraw/zinc/04/87/08/1042048708.db2.gz WPHBXLOXVCBCCZ-SFHVURJKSA-N 1 0 342.527 4.145 20 30 EIEDRO CC#CCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000464570754 1042065810 /nfs/dbraw/zinc/06/58/10/1042065810.db2.gz QEBFATOLRWLPQY-GOSISDBHSA-N 1 0 334.891 4.033 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700910 1042076710 /nfs/dbraw/zinc/07/67/10/1042076710.db2.gz GWZPBSAZWKIKSP-MOPGFXCFSA-N 1 0 342.389 4.189 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(F)c(F)c2)ccc1OC ZINC000517549855 1042077714 /nfs/dbraw/zinc/07/77/14/1042077714.db2.gz VUBLLXSNZJDESD-UHFFFAOYSA-N 1 0 333.378 4.218 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000438191014 1042082697 /nfs/dbraw/zinc/08/26/97/1042082697.db2.gz PDEOASBTZQQHSR-QGZVFWFLSA-N 1 0 338.476 4.181 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000542256285 1042361560 /nfs/dbraw/zinc/36/15/60/1042361560.db2.gz WDYUZTIJZLXWQZ-KUHUBIRLSA-N 1 0 328.843 4.272 20 30 EIEDRO CCN(Cc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000542282682 1042368460 /nfs/dbraw/zinc/36/84/60/1042368460.db2.gz ZJUSIFWSPXIVGX-AUSIDOKSSA-N 1 0 347.506 4.410 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506416468 1042398356 /nfs/dbraw/zinc/39/83/56/1042398356.db2.gz NMYXIDWCBHMFQL-HNNXBMFYSA-N 1 0 326.415 4.159 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000438986932 1042452154 /nfs/dbraw/zinc/45/21/54/1042452154.db2.gz OFXSFKQTBKTVBP-HKUYNNGSSA-N 1 0 327.447 4.001 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)c(Br)c1 ZINC000549868518 1042453644 /nfs/dbraw/zinc/45/36/44/1042453644.db2.gz XMLHWBSQHPAMTO-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1)C1CC1 ZINC000439084841 1042494043 /nfs/dbraw/zinc/49/40/43/1042494043.db2.gz HPWFKHYJQCGGJF-QFIPXVFZSA-N 1 0 347.506 4.479 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H](c1ccc(OC)cc1)N1CCCC1)C1CC1 ZINC000439092115 1042496171 /nfs/dbraw/zinc/49/61/71/1042496171.db2.gz OANPZEDTCMPQDS-LEWJYISDSA-N 1 0 328.500 4.167 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2cccc(OC(F)F)c2)C2CC2)cc1 ZINC000506552249 1042591009 /nfs/dbraw/zinc/59/10/09/1042591009.db2.gz DLUIIZPVHZFVQQ-UHFFFAOYSA-N 1 0 328.362 4.324 20 30 EIEDRO Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271984613 1042608390 /nfs/dbraw/zinc/60/83/90/1042608390.db2.gz ZWFPADOTVCWWHT-CQSZACIVSA-N 1 0 336.414 4.096 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000518766289 1042675085 /nfs/dbraw/zinc/67/50/85/1042675085.db2.gz SMQHWJLDKPEPQU-OAQYLSRUSA-N 1 0 336.479 4.006 20 30 EIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000492651071 1042715389 /nfs/dbraw/zinc/71/53/89/1042715389.db2.gz JIZLYCIHCKMUPE-INIZCTEOSA-N 1 0 341.252 4.310 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)CC2 ZINC000518844128 1042719420 /nfs/dbraw/zinc/71/94/20/1042719420.db2.gz PDKMRBSULFUJJI-HXUWFJFHSA-N 1 0 335.426 4.075 20 30 EIEDRO C[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)Oc1ccccc1Cl ZINC000518844110 1042719462 /nfs/dbraw/zinc/71/94/62/1042719462.db2.gz OKFFECKIIBFNDL-SCLBCKFNSA-N 1 0 326.827 4.256 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccncc1OCc1ccccc1)c1cccc(C#N)c1 ZINC000506646879 1042736327 /nfs/dbraw/zinc/73/63/27/1042736327.db2.gz RROFVNLZPZEDGZ-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@H]([NH2+]Cc1ccncc1OCc1ccccc1)c1cccc(C#N)c1 ZINC000506646878 1042737309 /nfs/dbraw/zinc/73/73/09/1042737309.db2.gz RROFVNLZPZEDGZ-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO C=C(C)CN(CC)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000072553318 1042741764 /nfs/dbraw/zinc/74/17/64/1042741764.db2.gz XJYKACVFWGDSDK-UHFFFAOYSA-N 1 0 334.769 4.195 20 30 EIEDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(C#N)c(C)c1)OC(C)C ZINC000443995977 1042744147 /nfs/dbraw/zinc/74/41/47/1042744147.db2.gz SJHDUUCKUVRVSI-OAQYLSRUSA-N 1 0 338.451 4.131 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1Cl ZINC000439793579 1042769321 /nfs/dbraw/zinc/76/93/21/1042769321.db2.gz NUVLXHRDQNOYEW-GOSISDBHSA-N 1 0 335.875 4.296 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000177472783 1042838497 /nfs/dbraw/zinc/83/84/97/1042838497.db2.gz MMQVQIHIIXMFGU-QRVBRYPASA-N 1 0 349.478 4.104 20 30 EIEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(C)c1 ZINC000507765747 1042845913 /nfs/dbraw/zinc/84/59/13/1042845913.db2.gz GTNXNJFFIJTNQU-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO C=CCCOCC[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190653786 1042879313 /nfs/dbraw/zinc/87/93/13/1042879313.db2.gz TTWPMWJXIHHDRN-CQSZACIVSA-N 1 0 330.291 4.144 20 30 EIEDRO C=CCCOCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190653800 1042879487 /nfs/dbraw/zinc/87/94/87/1042879487.db2.gz TTWPMWJXIHHDRN-AWEZNQCLSA-N 1 0 330.291 4.144 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)cc1F ZINC000237195143 1042902123 /nfs/dbraw/zinc/90/21/23/1042902123.db2.gz VQRIBDJCRWIIIT-OAHLLOKOSA-N 1 0 342.414 4.368 20 30 EIEDRO COc1ccc(C[NH+]2CCC(CCC#N)CC2)cc1OCC(C)C ZINC000520584293 1042904738 /nfs/dbraw/zinc/90/47/38/1042904738.db2.gz PCNJCQSYAPFZJF-UHFFFAOYSA-N 1 0 330.472 4.246 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CCCSc2ccccc2)cc1 ZINC000237196988 1042915769 /nfs/dbraw/zinc/91/57/69/1042915769.db2.gz KNAITZGETDFPEG-UHFFFAOYSA-N 1 0 339.508 4.308 20 30 EIEDRO Fc1ccc([C@H]2OCC[C@H]2[NH2+]CC#Cc2ccccc2Cl)cc1F ZINC000493917891 1042977377 /nfs/dbraw/zinc/97/73/77/1042977377.db2.gz VSSQITMYVWEZOX-RTBURBONSA-N 1 0 347.792 4.090 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C(C)C)cc1 ZINC000237220888 1042998616 /nfs/dbraw/zinc/99/86/16/1042998616.db2.gz BZSIDFFHNTXKCY-IERDGZPVSA-N 1 0 338.451 4.473 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1c1cccs1 ZINC000008320413 1043081424 /nfs/dbraw/zinc/08/14/24/1043081424.db2.gz YHOMPGZKAMOUJF-OAHLLOKOSA-N 1 0 345.855 4.049 20 30 EIEDRO C=C(C)[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000184841017 1043134982 /nfs/dbraw/zinc/13/49/82/1043134982.db2.gz ABGAUIZIKUKUNU-LJQANCHMSA-N 1 0 344.405 4.074 20 30 EIEDRO COc1ccc(C[NH2+]CCC2CCCCC2)cc1OCCCC#N ZINC000064613824 1043145443 /nfs/dbraw/zinc/14/54/43/1043145443.db2.gz RXHJQJYBHQTQMB-UHFFFAOYSA-N 1 0 330.472 4.438 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000185827250 1043222057 /nfs/dbraw/zinc/22/20/57/1043222057.db2.gz JTCPORZEMKFVCT-FUHWJXTLSA-N 1 0 330.435 4.402 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C1 ZINC000185834229 1043225227 /nfs/dbraw/zinc/22/52/27/1043225227.db2.gz GMOINTXAEYYBSN-CZUORRHYSA-N 1 0 333.273 4.153 20 30 EIEDRO N#Cc1ccc2ncc(C[N@H+](C3CC3)[C@@H]3CCCc4ccccc43)n2c1 ZINC000507995640 1043230967 /nfs/dbraw/zinc/23/09/67/1043230967.db2.gz VFOPFONDJIBZPV-OAQYLSRUSA-N 1 0 342.446 4.248 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC000058477578 1043257688 /nfs/dbraw/zinc/25/76/88/1043257688.db2.gz VQUYBKIDTNZVFH-GOSISDBHSA-N 1 0 328.362 4.327 20 30 EIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2nncc3ccccc32)CC1 ZINC000733901940 1043260635 /nfs/dbraw/zinc/26/06/35/1043260635.db2.gz JANDXURLSIRULB-HNAYVOBHSA-N 1 0 337.471 4.072 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000921993780 1043274312 /nfs/dbraw/zinc/27/43/12/1043274312.db2.gz FXRSOLJSUVIEKY-FPOVZHCZSA-N 1 0 338.426 4.324 20 30 EIEDRO C=CCC[C@@H](C(=O)N(CC)CCC[NH+]1CCCC1)c1ccccc1 ZINC000508196058 1043306702 /nfs/dbraw/zinc/30/67/02/1043306702.db2.gz QQGZQEUGHWCVRG-HXUWFJFHSA-N 1 0 328.500 4.071 20 30 EIEDRO C=CCC[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000188988222 1043395682 /nfs/dbraw/zinc/39/56/82/1043395682.db2.gz KHYJRTFXAUKSST-NRFANRHFSA-N 1 0 336.479 4.114 20 30 EIEDRO COCc1cc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)ccc1OC ZINC000272184368 1043400819 /nfs/dbraw/zinc/40/08/19/1043400819.db2.gz GFOCJVKVSQHFBS-HNNXBMFYSA-N 1 0 336.435 4.053 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=S)Nc2ccc3ccccc3c2)CC1 ZINC000729942814 1043410794 /nfs/dbraw/zinc/41/07/94/1043410794.db2.gz SWDVHVJOUUJGKN-UHFFFAOYSA-N 1 0 339.508 4.167 20 30 EIEDRO CC(C)(NCc1ccc(Br)cc1C#N)c1ccccc1 ZINC000312442607 1043455586 /nfs/dbraw/zinc/45/55/86/1043455586.db2.gz JDGGDFIFKRZNPV-UHFFFAOYSA-N 1 0 329.241 4.346 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000494416927 1043462208 /nfs/dbraw/zinc/46/22/08/1043462208.db2.gz HKTAYNKZUCMNOV-QGZVFWFLSA-N 1 0 349.519 4.038 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccccn2)cc1 ZINC000065950262 1043516074 /nfs/dbraw/zinc/51/60/74/1043516074.db2.gz NNCTZNKTPDQIPJ-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(F)c(F)c1 ZINC000190009764 1043669496 /nfs/dbraw/zinc/66/94/96/1043669496.db2.gz ICRVERALOHWZKO-ZDUSSCGKSA-N 1 0 341.295 4.089 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658060915 1043705587 /nfs/dbraw/zinc/70/55/87/1043705587.db2.gz QPXVNNJMPPBPJH-CPUCHLNUSA-N 1 0 339.476 4.015 20 30 EIEDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(C)c1 ZINC000731217799 1043723232 /nfs/dbraw/zinc/72/32/32/1043723232.db2.gz MWZCGEAAQQZMSG-LJQANCHMSA-N 1 0 335.495 4.374 20 30 EIEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000010137116 1043732526 /nfs/dbraw/zinc/73/25/26/1043732526.db2.gz PKJPCCHDDVBCGD-LJQANCHMSA-N 1 0 341.842 4.137 20 30 EIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731355789 1043739868 /nfs/dbraw/zinc/73/98/68/1043739868.db2.gz IASWSRQBOOXMHR-KRWDZBQOSA-N 1 0 338.451 4.051 20 30 EIEDRO Cc1nc(F)ccc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000785473812 1043773352 /nfs/dbraw/zinc/77/33/52/1043773352.db2.gz GNYOFUNCKKNMFU-UHFFFAOYSA-N 1 0 337.423 4.419 20 30 EIEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000078835412 1043793063 /nfs/dbraw/zinc/79/30/63/1043793063.db2.gz BELUXZQIPWWCCE-KRWDZBQOSA-N 1 0 333.357 4.292 20 30 EIEDRO N#Cc1cccc(OCC[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000731848061 1043833911 /nfs/dbraw/zinc/83/39/11/1043833911.db2.gz QBAIMXDUHJBYBX-UHFFFAOYSA-N 1 0 336.435 4.087 20 30 EIEDRO C=C[C@H](CC)CC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001127295289 1043849662 /nfs/dbraw/zinc/84/96/62/1043849662.db2.gz TWRQADGMCJROTI-NSHGMRRFSA-N 1 0 328.500 4.006 20 30 EIEDRO C[C@H](C/N=C/c1c(O)ccc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000731937317 1043850943 /nfs/dbraw/zinc/85/09/43/1043850943.db2.gz JBAPUQQYOPHVIU-HAFIMRKLSA-N 1 0 332.447 4.485 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000521595664 1043854248 /nfs/dbraw/zinc/85/42/48/1043854248.db2.gz BYSGIOSKGYGEOF-OCCSQVGLSA-N 1 0 334.460 4.093 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC1(C)C ZINC000191865219 1043854754 /nfs/dbraw/zinc/85/47/54/1043854754.db2.gz KHNIKWSYQXLMTB-WMLDXEAASA-N 1 0 345.512 4.045 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000442865710 1043868666 /nfs/dbraw/zinc/86/86/66/1043868666.db2.gz GFNGXPPSZGAUQF-IAQYHMDHSA-N 1 0 326.337 4.158 20 30 EIEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1OC ZINC000442870722 1043872128 /nfs/dbraw/zinc/87/21/28/1043872128.db2.gz VPBPYDMNRILGEP-NJINODPHSA-N 1 0 330.472 4.115 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000922163072 1043929719 /nfs/dbraw/zinc/92/97/19/1043929719.db2.gz ZBDZLRBLBIAYNI-SJLPKXTDSA-N 1 0 326.465 4.247 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000487422081 1043952263 /nfs/dbraw/zinc/95/22/63/1043952263.db2.gz RDBTZDLYHBGBDA-UTKZUKDTSA-N 1 0 334.463 4.450 20 30 EIEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000245678906 1044073558 /nfs/dbraw/zinc/07/35/58/1044073558.db2.gz GFXWCTDKZQHLHV-LPMFXHHGSA-N 1 0 349.434 4.080 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000733324170 1044182752 /nfs/dbraw/zinc/18/27/52/1044182752.db2.gz LEDLNLVBTPZLFH-AWEZNQCLSA-N 1 0 349.352 4.448 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)cc1 ZINC000733324347 1044190911 /nfs/dbraw/zinc/19/09/11/1044190911.db2.gz RFAIQARHQAHJEP-UHFFFAOYSA-N 1 0 344.414 4.176 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H](O)CSC)c1ccc(C(F)(F)F)cc1 ZINC000494786671 1044244736 /nfs/dbraw/zinc/24/47/36/1044244736.db2.gz GNJCCWSKZKMMAX-GJZGRUSLSA-N 1 0 333.419 4.026 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(OCc3ccccc3)cc2)o1 ZINC000174294248 1044252663 /nfs/dbraw/zinc/25/26/63/1044252663.db2.gz WXWVXAQCKRBHQY-UHFFFAOYSA-N 1 0 332.403 4.063 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246363833 1044299843 /nfs/dbraw/zinc/29/98/43/1044299843.db2.gz LOBXDCMLUVXNRD-QWFCFKBJSA-N 1 0 325.500 4.206 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237249092 1044304667 /nfs/dbraw/zinc/30/46/67/1044304667.db2.gz FJZJDJXIJUSWSH-SJORKVTESA-N 1 0 338.451 4.097 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](CC)c2cccc(OC)n2)c1 ZINC000925414056 1044345884 /nfs/dbraw/zinc/34/58/84/1044345884.db2.gz KXNCLANTQVPKKE-WMZOPIPTSA-N 1 0 339.439 4.012 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC001168758355 1044366003 /nfs/dbraw/zinc/36/60/03/1044366003.db2.gz QDBGEBHMCVIUIU-ZBEGNZNMSA-N 1 0 335.234 4.249 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237255502 1044367427 /nfs/dbraw/zinc/36/74/27/1044367427.db2.gz FJZJDJXIJUSWSH-IRXDYDNUSA-N 1 0 338.451 4.097 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000466398927 1044388628 /nfs/dbraw/zinc/38/86/28/1044388628.db2.gz KQMBPJCEDXJRIJ-CQSZACIVSA-N 1 0 334.261 4.284 20 30 EIEDRO C=CC[C@@H](CC)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000466402864 1044395196 /nfs/dbraw/zinc/39/51/96/1044395196.db2.gz AIRAXDBVKFQMMN-PKOBYXMFSA-N 1 0 335.536 4.027 20 30 EIEDRO N#CC1(c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CCCCC1 ZINC000544356102 1044463967 /nfs/dbraw/zinc/46/39/67/1044463967.db2.gz DFHVSNMHIOLMRE-UHFFFAOYSA-N 1 0 336.439 4.058 20 30 EIEDRO C=C(C[NH2+][C@@H](C)c1ccc(OCCOC)c(OC)c1)c1ccccc1 ZINC000675784504 1044496194 /nfs/dbraw/zinc/49/61/94/1044496194.db2.gz YIVJBWREJRVSMM-KRWDZBQOSA-N 1 0 341.451 4.084 20 30 EIEDRO C=CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccncc1 ZINC000734456870 1044577431 /nfs/dbraw/zinc/57/74/31/1044577431.db2.gz DPHNLUXMRGPBGH-OAQYLSRUSA-N 1 0 349.478 4.115 20 30 EIEDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000469793476 1044649844 /nfs/dbraw/zinc/64/98/44/1044649844.db2.gz FWDJWYBFDZYBCF-SECBINFHSA-N 1 0 347.274 4.273 20 30 EIEDRO COc1ccc(O)c(/C=N\C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000734750113 1044662785 /nfs/dbraw/zinc/66/27/85/1044662785.db2.gz WFEPXXCQYNHWOF-GRVPHDJPSA-N 1 0 338.451 4.045 20 30 EIEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2cccc(C)c2)c1C ZINC000914693162 1044662990 /nfs/dbraw/zinc/66/29/90/1044662990.db2.gz NHJIEAWUCXUPNI-NRFANRHFSA-N 1 0 338.499 4.344 20 30 EIEDRO COc1cccc(NC2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000118399494 1044667534 /nfs/dbraw/zinc/66/75/34/1044667534.db2.gz XFNPUQURXHJCFE-INIZCTEOSA-N 1 0 335.451 4.204 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)[C@@H](C)c1ccccc1 ZINC000543472144 1044675066 /nfs/dbraw/zinc/67/50/66/1044675066.db2.gz BOXPEZIEZDFIHZ-KGLIPLIRSA-N 1 0 330.378 4.441 20 30 EIEDRO COc1ccccc1C1(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CCC1 ZINC000544896210 1044780610 /nfs/dbraw/zinc/78/06/10/1044780610.db2.gz OLOUMIJCEFGNQQ-HNNXBMFYSA-N 1 0 338.426 4.478 20 30 EIEDRO C[N@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000676556605 1044789335 /nfs/dbraw/zinc/78/93/35/1044789335.db2.gz SONSAMUCQWNXQV-IRLDBZIGSA-N 1 0 337.438 4.277 20 30 EIEDRO C[N@H+](CCCc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308859 1044798958 /nfs/dbraw/zinc/79/89/58/1044798958.db2.gz WKRRUJOHHAJALF-UHFFFAOYSA-N 1 0 328.843 4.307 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(Cl)s3)CC2)nc1 ZINC000092854329 1044805832 /nfs/dbraw/zinc/80/58/32/1044805832.db2.gz JFXXKQOTXIKABQ-UHFFFAOYSA-N 1 0 347.871 4.148 20 30 EIEDRO C[C@@H]1C[C@H](N(C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318565 1044830897 /nfs/dbraw/zinc/83/08/97/1044830897.db2.gz TWFDGQZNIJJXGY-VQIMIIECSA-N 1 0 339.508 4.105 20 30 EIEDRO C=CCCC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000895636848 1044835019 /nfs/dbraw/zinc/83/50/19/1044835019.db2.gz AMGYNLRSDPRMNH-TVPLGVNVSA-N 1 0 340.427 4.182 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1)C(C)C ZINC000154841341 1044841058 /nfs/dbraw/zinc/84/10/58/1044841058.db2.gz VRVNCTOJCKLBIR-UHFFFAOYSA-N 1 0 335.451 4.065 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC001168484250 1044858284 /nfs/dbraw/zinc/85/82/84/1044858284.db2.gz AQHMVFCVGXFCRH-RTWAWAEBSA-N 1 0 339.479 4.340 20 30 EIEDRO CC1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000474347277 1044872785 /nfs/dbraw/zinc/87/27/85/1044872785.db2.gz BZOSDZMORWSEOM-UHFFFAOYSA-N 1 0 349.434 4.021 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800174 1044894401 /nfs/dbraw/zinc/89/44/01/1044894401.db2.gz GTOHOMTYHXEBMS-AOMKIAJQSA-N 1 0 346.430 4.119 20 30 EIEDRO CSC[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000429293406 1044899063 /nfs/dbraw/zinc/89/90/63/1044899063.db2.gz NEECPWZGIJUGRI-HNNXBMFYSA-N 1 0 343.414 4.012 20 30 EIEDRO CC(C)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000542555428 1044964265 /nfs/dbraw/zinc/96/42/65/1044964265.db2.gz RWWOUTDGYIPZEH-WMLDXEAASA-N 1 0 341.480 4.324 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)CC2 ZINC000280182831 1044968404 /nfs/dbraw/zinc/96/84/04/1044968404.db2.gz RUASNASIQMNPIS-OALUTQOASA-N 1 0 336.435 4.326 20 30 EIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1cc(C#N)cs1 ZINC000125398517 1044990233 /nfs/dbraw/zinc/99/02/33/1044990233.db2.gz ATBONHFRVGQOSO-UHFFFAOYSA-N 1 0 343.521 4.089 20 30 EIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1cccc(C#N)c1 ZINC000125410346 1044992490 /nfs/dbraw/zinc/99/24/90/1044992490.db2.gz DGWVOCGYFYCXPC-UHFFFAOYSA-N 1 0 337.492 4.028 20 30 EIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000392078180 1045014894 /nfs/dbraw/zinc/01/48/94/1045014894.db2.gz ARLXMIAZPIFQPJ-AWEZNQCLSA-N 1 0 341.842 4.233 20 30 EIEDRO C=CCC1([NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)CCCCC1 ZINC000625935921 1045042819 /nfs/dbraw/zinc/04/28/19/1045042819.db2.gz SEIIGFAHPKVZCH-UHFFFAOYSA-N 1 0 337.423 4.450 20 30 EIEDRO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](CC)c1ccccc1 ZINC000303657021 1045048985 /nfs/dbraw/zinc/04/89/85/1045048985.db2.gz VOTAIRGRXQBICO-TZIWHRDSSA-N 1 0 343.515 4.294 20 30 EIEDRO C[C@H]([NH2+]CCNc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000495395743 1045051478 /nfs/dbraw/zinc/05/14/78/1045051478.db2.gz HTPCBWJKDBEZOW-ZDUSSCGKSA-N 1 0 344.256 4.083 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1ccc(C#N)c(F)c1 ZINC000495444091 1045108179 /nfs/dbraw/zinc/10/81/79/1045108179.db2.gz HCILKTWYSXMWBP-ZDUSSCGKSA-N 1 0 327.403 4.120 20 30 EIEDRO N#Cc1ccc(CNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000393827643 1045134626 /nfs/dbraw/zinc/13/46/26/1045134626.db2.gz IHTMPGYYMYQMDD-GOSISDBHSA-N 1 0 339.508 4.012 20 30 EIEDRO C=CCn1c(C)nn(C[NH2+][C@H](c2ccccc2)C(C)(C)C)c1=S ZINC000073841975 1045145618 /nfs/dbraw/zinc/14/56/18/1045145618.db2.gz JODORYAJTZXFOM-MRXNPFEDSA-N 1 0 330.501 4.243 20 30 EIEDRO C=CCCCCC[N@@H+](C)C[C@H](O)c1ccc(Br)cc1 ZINC000739930775 1045175936 /nfs/dbraw/zinc/17/59/36/1045175936.db2.gz ORGCQXILOSVJLI-INIZCTEOSA-N 1 0 326.278 4.161 20 30 EIEDRO C=CCCCCC[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000739929620 1045176580 /nfs/dbraw/zinc/17/65/80/1045176580.db2.gz FPNVYODYZVKBCJ-INIZCTEOSA-N 1 0 326.278 4.161 20 30 EIEDRO Cc1c(C[NH2+][C@H](C)c2ccc(C#N)cc2)sc2nc(C)nc(C)c12 ZINC000915224693 1045194245 /nfs/dbraw/zinc/19/42/45/1045194245.db2.gz GBDQQEBAQWCEIV-GFCCVEGCSA-N 1 0 336.464 4.339 20 30 EIEDRO N#CC1(CCC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CCOCC1 ZINC000282428985 1045202966 /nfs/dbraw/zinc/20/29/66/1045202966.db2.gz JZBGZAMSPABRJC-WKCHPHFGSA-N 1 0 338.495 4.498 20 30 EIEDRO CCCC[C@H](CC)C[N@@H+]1CCC[C@@]2(CCCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001272610546 1045208419 /nfs/dbraw/zinc/20/84/19/1045208419.db2.gz IGNVEAKWIFEAST-SVFBPWRDSA-N 1 0 347.547 4.067 20 30 EIEDRO CCCCCCCC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000740873696 1045234423 /nfs/dbraw/zinc/23/44/23/1045234423.db2.gz WFGBBZWNNOZGFX-UHFFFAOYSA-N 1 0 332.488 4.403 20 30 EIEDRO C[C@@H](C#N)C[N@H+](CC/C=C\c1ccc(Br)cc1)C1CC1 ZINC000611091289 1045252723 /nfs/dbraw/zinc/25/27/23/1045252723.db2.gz PXVVMKNACSBCPV-XBPVQUQDSA-N 1 0 333.273 4.476 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477572 1045254546 /nfs/dbraw/zinc/25/45/46/1045254546.db2.gz VMPRVQGIVMTPBG-LEWJYISDSA-N 1 0 335.495 4.342 20 30 EIEDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611198451 1045262267 /nfs/dbraw/zinc/26/22/67/1045262267.db2.gz SFKMTWKMAUJYHA-DNVCBOLYSA-N 1 0 338.451 4.247 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000611235860 1045263950 /nfs/dbraw/zinc/26/39/50/1045263950.db2.gz DKGKAIQEHORBQO-SFHVURJKSA-N 1 0 345.446 4.428 20 30 EIEDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000611266449 1045271020 /nfs/dbraw/zinc/27/10/20/1045271020.db2.gz QNSWGOKEGDTCTO-OAHLLOKOSA-N 1 0 337.492 4.035 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611266773 1045271478 /nfs/dbraw/zinc/27/14/78/1045271478.db2.gz LVLXRQBWSGCOQQ-LPHOPBHVSA-N 1 0 326.465 4.219 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000611276539 1045273644 /nfs/dbraw/zinc/27/36/44/1045273644.db2.gz JCSVSKRXDQAIJS-CEWLAPEOSA-N 1 0 332.447 4.324 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000611387656 1045295646 /nfs/dbraw/zinc/29/56/46/1045295646.db2.gz DFAHLXFBAGXSFM-CQSZACIVSA-N 1 0 344.336 4.159 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2cccn2)c1 ZINC000611393448 1045297152 /nfs/dbraw/zinc/29/71/52/1045297152.db2.gz GUPGUWFIIMMCMK-KSFYIVLOSA-N 1 0 342.446 4.472 20 30 EIEDRO C[C@H](O)C[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611393925 1045298681 /nfs/dbraw/zinc/29/86/81/1045298681.db2.gz STRVBFKPYYJKLL-SAWYMBPVSA-N 1 0 334.463 4.080 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000611392624 1045298772 /nfs/dbraw/zinc/29/87/72/1045298772.db2.gz ZDNMRSLLJRRPSZ-WOJBJXKFSA-N 1 0 337.467 4.201 20 30 EIEDRO COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611393122 1045298878 /nfs/dbraw/zinc/29/88/78/1045298878.db2.gz KDFIAWQGSKTSII-QVKFZJNVSA-N 1 0 336.435 4.001 20 30 EIEDRO CC(C)(CO)[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611394274 1045298948 /nfs/dbraw/zinc/29/89/48/1045298948.db2.gz ANAPJBDZDQTGCV-YADHBBJMSA-N 1 0 348.490 4.328 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000611394101 1045299543 /nfs/dbraw/zinc/29/95/43/1045299543.db2.gz GSXJIIZYWVQRSK-LJQANCHMSA-N 1 0 342.389 4.369 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000611390501 1045301816 /nfs/dbraw/zinc/30/18/16/1045301816.db2.gz FIJBQMFKWOWKNO-PGRDOPGGSA-N 1 0 331.463 4.052 20 30 EIEDRO CC(C)C([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000611434165 1045304810 /nfs/dbraw/zinc/30/48/10/1045304810.db2.gz SSUHKTZWQYLYFI-HNNXBMFYSA-N 1 0 347.528 4.147 20 30 EIEDRO C[C@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000611438273 1045307971 /nfs/dbraw/zinc/30/79/71/1045307971.db2.gz AUOFNUMVINUFSI-PGRDOPGGSA-N 1 0 333.479 4.436 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1 ZINC000611488262 1045317616 /nfs/dbraw/zinc/31/76/16/1045317616.db2.gz PDXKFNGIOIAPQG-LJQANCHMSA-N 1 0 349.482 4.104 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237579626 1045389227 /nfs/dbraw/zinc/38/92/27/1045389227.db2.gz RTDZQYOZCXKYQX-CXAGYDPISA-N 1 0 348.899 4.252 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000237635110 1045390924 /nfs/dbraw/zinc/39/09/24/1045390924.db2.gz ROIPVSBDRSCLEJ-IBGZPJMESA-N 1 0 340.467 4.080 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)c2oc3c(ccc4ccccc34)c2C)CC1 ZINC000171722903 1045408730 /nfs/dbraw/zinc/40/87/30/1045408730.db2.gz UMQJGYQFZCWDCL-UHFFFAOYSA-N 1 0 348.446 4.275 20 30 EIEDRO C[C@H](Cc1cccc(F)c1)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001168499982 1045480934 /nfs/dbraw/zinc/48/09/34/1045480934.db2.gz DTZGDIADRKYFRH-MRXNPFEDSA-N 1 0 340.417 4.453 20 30 EIEDRO CCCCCCCCC(=O)Nc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000763135473 1045534224 /nfs/dbraw/zinc/53/42/24/1045534224.db2.gz BJTWHVLUPDAEHC-UHFFFAOYSA-N 1 0 346.515 4.332 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000455388493 1045589104 /nfs/dbraw/zinc/58/91/04/1045589104.db2.gz VIFPNQLVBCWMLV-UHFFFAOYSA-N 1 0 329.488 4.193 20 30 EIEDRO Cc1cc(CNc2ccc(OCC[NH+](C)C)c(Cl)c2)ccc1C#N ZINC000767688120 1045613375 /nfs/dbraw/zinc/61/33/75/1045613375.db2.gz WHQDJXVEGXYKGB-UHFFFAOYSA-N 1 0 343.858 4.073 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000347452722 1045646802 /nfs/dbraw/zinc/64/68/02/1045646802.db2.gz RHWCAZQKOFRQDE-INIZCTEOSA-N 1 0 335.451 4.083 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2CCCc2ccccc2)cc1 ZINC000767905711 1045680177 /nfs/dbraw/zinc/68/01/77/1045680177.db2.gz HDAONWKLJGJGHL-VXKWHMMOSA-N 1 0 334.463 4.079 20 30 EIEDRO Cc1ccc([C@@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)c(C)c1 ZINC001169978438 1045694965 /nfs/dbraw/zinc/69/49/65/1045694965.db2.gz AFIYWJKHWPCNPD-HXUWFJFHSA-N 1 0 334.463 4.434 20 30 EIEDRO Cc1cc(-c2noc([C@@H]3CC[C@H](c4ccccc4)[NH2+]C3)n2)ccc1C#N ZINC001212212561 1045696704 /nfs/dbraw/zinc/69/67/04/1045696704.db2.gz UCZNEHCIEHUOKI-RTBURBONSA-N 1 0 344.418 4.125 20 30 EIEDRO C=CC[NH+](CC=C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000768138434 1045725800 /nfs/dbraw/zinc/72/58/00/1045725800.db2.gz VACDJVIQQFUSNC-UHFFFAOYSA-N 1 0 328.456 4.158 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000768173770 1045736583 /nfs/dbraw/zinc/73/65/83/1045736583.db2.gz DWNBCZXPDMRPJL-HNNXBMFYSA-N 1 0 344.842 4.142 20 30 EIEDRO CC(C)[N@H+](CCCCC#N)CC(=O)Nc1ccccc1C(F)(F)F ZINC000071016270 1045771106 /nfs/dbraw/zinc/77/11/06/1045771106.db2.gz SOKNRQBKSKAMKM-UHFFFAOYSA-N 1 0 341.377 4.048 20 30 EIEDRO CC(C)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000763234656 1045786428 /nfs/dbraw/zinc/78/64/28/1045786428.db2.gz RJTSHIQXSXKGBM-OALUTQOASA-N 1 0 328.843 4.232 20 30 EIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2cc(C#N)cc(Cl)n2)CC1 ZINC000768374693 1045802181 /nfs/dbraw/zinc/80/21/81/1045802181.db2.gz IENHSQXUIPYWPQ-XJKSGUPXSA-N 1 0 345.878 4.049 20 30 EIEDRO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768407835 1045802721 /nfs/dbraw/zinc/80/27/21/1045802721.db2.gz RRRFDKBSVPXKBY-WHMCQKABSA-N 1 0 338.451 4.085 20 30 EIEDRO Cc1ccccc1[C@@H](O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768402572 1045802936 /nfs/dbraw/zinc/80/29/36/1045802936.db2.gz MGRJRUCIKVGBSX-IRQNMHNUSA-N 1 0 334.463 4.022 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)c(F)c1 ZINC000768507366 1045813111 /nfs/dbraw/zinc/81/31/11/1045813111.db2.gz GVWPDCKARKQBCV-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO CCCCCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247074846 1045839128 /nfs/dbraw/zinc/83/91/28/1045839128.db2.gz CQIJQKPSILPITR-QUCCMNQESA-N 1 0 345.531 4.159 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H](O)c1ccc(F)cc1 ZINC000792233271 1045879703 /nfs/dbraw/zinc/87/97/03/1045879703.db2.gz ZANSFASMFVPKMQ-HXUWFJFHSA-N 1 0 344.405 4.028 20 30 EIEDRO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000769318049 1045919719 /nfs/dbraw/zinc/91/97/19/1045919719.db2.gz HIXSKXCOONLOHC-NQIIRXRSSA-N 1 0 334.463 4.493 20 30 EIEDRO C=C(C)C[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1cnn(C(C)C)c1 ZINC001170204669 1045925921 /nfs/dbraw/zinc/92/59/21/1045925921.db2.gz FBWBVPDVSDIJNG-AZUAARDMSA-N 1 0 333.520 4.437 20 30 EIEDRO N#Cc1ccc(CNc2ccc(SC3CC[NH2+]CC3)cc2)s1 ZINC001170208490 1045928333 /nfs/dbraw/zinc/92/83/33/1045928333.db2.gz JLAMMVNDJXMORP-UHFFFAOYSA-N 1 0 329.494 4.076 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(C#N)s2)nc1 ZINC001170199109 1045938220 /nfs/dbraw/zinc/93/82/20/1045938220.db2.gz IMCNPOKXUZNDOO-AWEZNQCLSA-N 1 0 326.469 4.001 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000614916150 1045939378 /nfs/dbraw/zinc/93/93/78/1045939378.db2.gz CGJBPUDMYZDVMP-ZDUSSCGKSA-N 1 0 340.377 4.462 20 30 EIEDRO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCCC(C)(C)C#N ZINC000496469995 1045954643 /nfs/dbraw/zinc/95/46/43/1045954643.db2.gz IWOQKLLJGCCHQZ-MRXNPFEDSA-N 1 0 343.471 4.356 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000769463763 1045984118 /nfs/dbraw/zinc/98/41/18/1045984118.db2.gz PXGWIPDXKZDYKC-UHFFFAOYSA-N 1 0 330.472 4.382 20 30 EIEDRO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000769499228 1045997181 /nfs/dbraw/zinc/99/71/81/1045997181.db2.gz PBNVFYNFASKQFK-JOCHJYFZSA-N 1 0 349.474 4.127 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)cc1 ZINC000769508018 1046001567 /nfs/dbraw/zinc/00/15/67/1046001567.db2.gz CIHJHNMWKAPNDS-UHFFFAOYSA-N 1 0 347.458 4.110 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cncn2CC2CCC2)CC1 ZINC001170371735 1046010013 /nfs/dbraw/zinc/01/00/13/1046010013.db2.gz JFJDNLUIDGPNIK-UHFFFAOYSA-N 1 0 348.494 4.177 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC001170355467 1046011914 /nfs/dbraw/zinc/01/19/14/1046011914.db2.gz GETMVWLMGXIHLG-UHFFFAOYSA-N 1 0 326.390 4.459 20 30 EIEDRO CC(C)(O)[C@H]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170361771 1046015956 /nfs/dbraw/zinc/01/59/56/1046015956.db2.gz DXRYYAWHTZDAHK-PMESGZNVSA-N 1 0 340.511 4.310 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2ncc3cccc(C[NH3+])c32)CC1 ZINC001170369618 1046017797 /nfs/dbraw/zinc/01/77/97/1046017797.db2.gz XYTYINUQZUARNS-UHFFFAOYSA-N 1 0 330.435 4.072 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769551590 1046019306 /nfs/dbraw/zinc/01/93/06/1046019306.db2.gz OMYFICLXLUCQQB-UHFFFAOYSA-N 1 0 345.446 4.329 20 30 EIEDRO CCCCCN1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170386902 1046025059 /nfs/dbraw/zinc/02/50/59/1046025059.db2.gz OIECULMOMUUYPL-UHFFFAOYSA-N 1 0 339.527 4.198 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001170387438 1046025816 /nfs/dbraw/zinc/02/58/16/1046025816.db2.gz UOZWMPAXIFMOKQ-KPQWGBOZSA-N 1 0 331.463 4.275 20 30 EIEDRO COc1ccc2c(c1)C[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170389162 1046026500 /nfs/dbraw/zinc/02/65/00/1046026500.db2.gz LTCBXAMPVJBENI-UHFFFAOYSA-N 1 0 332.447 4.415 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(c3ncccc3F)CC2)CC1 ZINC001170373166 1046030643 /nfs/dbraw/zinc/03/06/43/1046030643.db2.gz ACBAWELGQNZQNC-UHFFFAOYSA-N 1 0 349.453 4.246 20 30 EIEDRO COc1ccc2c(c1)CC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170379203 1046034792 /nfs/dbraw/zinc/03/47/92/1046034792.db2.gz SWIMMMVOFZRKTQ-UHFFFAOYSA-N 1 0 346.474 4.457 20 30 EIEDRO C[N@H+](C[C@H]1Cc2ccccc2O1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170402903 1046038976 /nfs/dbraw/zinc/03/89/76/1046038976.db2.gz BTGRFHRBQLGLNY-WQMHRJNTSA-N 1 0 346.474 4.326 20 30 EIEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000769767652 1046060709 /nfs/dbraw/zinc/06/07/09/1046060709.db2.gz ZRGFVRRKAQRAAU-CVEARBPZSA-N 1 0 337.508 4.036 20 30 EIEDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000496952142 1046116060 /nfs/dbraw/zinc/11/60/60/1046116060.db2.gz YJLJXJFYNMODFS-IRXDYDNUSA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763413686 1046143888 /nfs/dbraw/zinc/14/38/88/1046143888.db2.gz MPRJAJYSNMMANS-MDOVXXIYSA-N 1 0 342.870 4.369 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000497016022 1046168736 /nfs/dbraw/zinc/16/87/36/1046168736.db2.gz LZTNAANIZUDIBV-ROUUACIJSA-N 1 0 343.471 4.021 20 30 EIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000770292828 1046174733 /nfs/dbraw/zinc/17/47/33/1046174733.db2.gz UCWAAUDKICMNBB-PKOBYXMFSA-N 1 0 343.492 4.401 20 30 EIEDRO CN(C)c1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000770381400 1046188112 /nfs/dbraw/zinc/18/81/12/1046188112.db2.gz QVQLXNKJAUFUBC-UHFFFAOYSA-N 1 0 335.426 4.053 20 30 EIEDRO C=CCOc1ccccc1CN[C@H](C)c1ccc(OC)cc1OC ZINC000124324662 1046232121 /nfs/dbraw/zinc/23/21/21/1046232121.db2.gz WHSXFSDDHVWTED-OAHLLOKOSA-N 1 0 327.424 4.119 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC000770710806 1046260115 /nfs/dbraw/zinc/26/01/15/1046260115.db2.gz MKCKQGXUBTZUDJ-IBGZPJMESA-N 1 0 347.405 4.400 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000793522430 1046265817 /nfs/dbraw/zinc/26/58/17/1046265817.db2.gz PVTVIGOUXJRQMI-WBVHZDCISA-N 1 0 349.450 4.249 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)cc1 ZINC000770748770 1046266034 /nfs/dbraw/zinc/26/60/34/1046266034.db2.gz VKSDNZLDECZXJR-IIBYNOLFSA-N 1 0 341.426 4.094 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000793528283 1046269494 /nfs/dbraw/zinc/26/94/94/1046269494.db2.gz RDHVWCWZXNELFY-HOTGVXAUSA-N 1 0 338.517 4.234 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000793667226 1046323049 /nfs/dbraw/zinc/32/30/49/1046323049.db2.gz IFLPOBSKEHQDKB-MRUVXERFSA-N 1 0 346.858 4.044 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1sc(CCOC)nc1C)c1ccncc1 ZINC000771392092 1046395240 /nfs/dbraw/zinc/39/52/40/1046395240.db2.gz TWRDQSNCVYWKKF-BBRMVZONSA-N 1 0 331.485 4.003 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000428639635 1046424602 /nfs/dbraw/zinc/42/46/02/1046424602.db2.gz INNFYVIDFCSUFE-FQEVSTJZSA-N 1 0 349.434 4.016 20 30 EIEDRO C[NH+]1C(C)(C)CC(Nc2nc(C(F)(F)F)ccc2C#N)CC1(C)C ZINC001170448352 1046449514 /nfs/dbraw/zinc/44/95/14/1046449514.db2.gz VXMXSLSSDTUCEH-UHFFFAOYSA-N 1 0 340.393 4.035 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(Cc3ccccc3)CCC2)cc1 ZINC000237485074 1046455576 /nfs/dbraw/zinc/45/55/76/1046455576.db2.gz MFFOMDYSVCOQNZ-SFHVURJKSA-N 1 0 334.463 4.480 20 30 EIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000916987342 1046527579 /nfs/dbraw/zinc/52/75/79/1046527579.db2.gz RSZIGNGMCJZIKO-HNNXBMFYSA-N 1 0 343.826 4.401 20 30 EIEDRO C[NH+]1C(C)(C)CC(Nc2cnc(C#N)c(C(F)(F)F)c2)CC1(C)C ZINC001170452041 1046540950 /nfs/dbraw/zinc/54/09/50/1046540950.db2.gz UHLOSOZAOJSTEJ-UHFFFAOYSA-N 1 0 340.393 4.035 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000917001396 1046550570 /nfs/dbraw/zinc/55/05/70/1046550570.db2.gz QARWXHMVGNHQAD-GOSISDBHSA-N 1 0 335.369 4.427 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000917000941 1046551907 /nfs/dbraw/zinc/55/19/07/1046551907.db2.gz DMAFWILKNZTTAT-SFHVURJKSA-N 1 0 335.369 4.427 20 30 EIEDRO CC(C)[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(N(C)C)cc1 ZINC000917075516 1046638017 /nfs/dbraw/zinc/63/80/17/1046638017.db2.gz YHZHGDIOXNUPTB-UHFFFAOYSA-N 1 0 346.478 4.288 20 30 EIEDRO N#Cc1ccc2ncc(C[N@@H+]3CCCC[C@@H]3CCc3ccccc3)n2c1 ZINC000536672834 1046658488 /nfs/dbraw/zinc/65/84/88/1046658488.db2.gz ROVXQPNFQQHRSJ-HXUWFJFHSA-N 1 0 344.462 4.193 20 30 EIEDRO CC(C)(C#N)CCCCOC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000785711418 1046741262 /nfs/dbraw/zinc/74/12/62/1046741262.db2.gz BUUOQPFCCUATOX-UHFFFAOYSA-N 1 0 328.456 4.159 20 30 EIEDRO CN(Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000459516751 1046742034 /nfs/dbraw/zinc/74/20/34/1046742034.db2.gz DROMCZWCTICNJB-BETUJISGSA-N 1 0 341.333 4.019 20 30 EIEDRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000128068500 1046759720 /nfs/dbraw/zinc/75/97/20/1046759720.db2.gz ZJCJEUIHXVDKEF-ZIAGYGMSSA-N 1 0 341.842 4.280 20 30 EIEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000497384302 1046768923 /nfs/dbraw/zinc/76/89/23/1046768923.db2.gz GXWZHVZNZOHFNR-HXUWFJFHSA-N 1 0 341.499 4.000 20 30 EIEDRO N#Cc1cnn2cc(C[NH2+][C@@H](c3ccccc3)C3CCCCC3)cnc12 ZINC000917139728 1046772327 /nfs/dbraw/zinc/77/23/27/1046772327.db2.gz DFHYPLIFZUWXIG-FQEVSTJZSA-N 1 0 345.450 4.012 20 30 EIEDRO C[Si](C)(C)C#C[NH2+]Cc1nc2ccccc2n1Cc1ccccc1 ZINC001170465754 1046775797 /nfs/dbraw/zinc/77/57/97/1046775797.db2.gz DJUAQFRYQBUDLX-UHFFFAOYSA-N 1 0 333.511 4.013 20 30 EIEDRO COc1ccc(C[NH+]2CC3(C2)CCCCC3)cc1OCCCC#N ZINC000459596218 1046804478 /nfs/dbraw/zinc/80/44/78/1046804478.db2.gz OANJNJBBEQDHLH-UHFFFAOYSA-N 1 0 328.456 4.144 20 30 EIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000536840579 1046813502 /nfs/dbraw/zinc/81/35/02/1046813502.db2.gz UOMRFJSHUZYPTD-YLJYHZDGSA-N 1 0 335.451 4.347 20 30 EIEDRO CC[C@@H]1CC([NH2+]CC(C)(C)S)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170469970 1046827333 /nfs/dbraw/zinc/82/73/33/1046827333.db2.gz MQYIXLKPBSOPMA-HUUCEWRRSA-N 1 0 344.565 4.241 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000536874852 1046838137 /nfs/dbraw/zinc/83/81/37/1046838137.db2.gz GUVBRWMJWZITQQ-ZDUSSCGKSA-N 1 0 347.336 4.136 20 30 EIEDRO COc1cc(C[NH2+]CC(C)(C)CC#N)ccc1OCc1cccs1 ZINC000459683739 1046841345 /nfs/dbraw/zinc/84/13/45/1046841345.db2.gz COCWNYHEAIVNON-UHFFFAOYSA-N 1 0 344.480 4.365 20 30 EIEDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CC(C)(C)CC#N ZINC000459683525 1046841937 /nfs/dbraw/zinc/84/19/37/1046841937.db2.gz BBXRHCMWBJMMDR-UHFFFAOYSA-N 1 0 344.890 4.231 20 30 EIEDRO C=CCCC[C@H](C)[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000536994639 1046884542 /nfs/dbraw/zinc/88/45/42/1046884542.db2.gz JSUIMGRUJGAQQW-INIZCTEOSA-N 1 0 332.488 4.325 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC#Cc4ccc(F)cc4)C3)nc2c1 ZINC000537017607 1046889842 /nfs/dbraw/zinc/88/98/42/1046889842.db2.gz HDAAMOKYWAWMFE-GOSISDBHSA-N 1 0 347.437 4.242 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)cc1 ZINC000787029426 1046894407 /nfs/dbraw/zinc/89/44/07/1046894407.db2.gz YENSJKAAVNUKOO-ZWKOTPCHSA-N 1 0 332.806 4.125 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000537107809 1046958895 /nfs/dbraw/zinc/95/88/95/1046958895.db2.gz QCTZDDNYNYZRFZ-UXHICEINSA-N 1 0 331.406 4.165 20 30 EIEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114755 1046966745 /nfs/dbraw/zinc/96/67/45/1046966745.db2.gz GSFDLTJVANEJMA-HUUCEWRRSA-N 1 0 342.870 4.348 20 30 EIEDRO C[NH+](C)[C@@H](C/N=C/c1c(O)ccc2ccccc21)c1ccc(F)cc1 ZINC000917557240 1046994163 /nfs/dbraw/zinc/99/41/63/1046994163.db2.gz CDQBYPMRADIAKM-IYHCKTHZSA-N 1 0 336.410 4.406 20 30 EIEDRO CC(C)N(CCC#N)Cc1ccc(OC(F)F)c(Br)c1 ZINC000537206473 1047027151 /nfs/dbraw/zinc/02/71/51/1047027151.db2.gz UNNJZWNFEYHTAD-UHFFFAOYSA-N 1 0 347.203 4.175 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)(C)C ZINC000537289260 1047070280 /nfs/dbraw/zinc/07/02/80/1047070280.db2.gz DCGFUWCWMOBTOT-RHSMWYFYSA-N 1 0 347.528 4.434 20 30 EIEDRO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170495484 1047084727 /nfs/dbraw/zinc/08/47/27/1047084727.db2.gz AACFTRANGHSPJW-CLWJZODNSA-N 1 0 349.519 4.179 20 30 EIEDRO C[C@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000537308878 1047094099 /nfs/dbraw/zinc/09/40/99/1047094099.db2.gz OTWUZAZVPFCTHD-ZDUSSCGKSA-N 1 0 334.341 4.350 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000128831458 1047101124 /nfs/dbraw/zinc/10/11/24/1047101124.db2.gz VQFSTVZXIGDVMJ-ZWKOTPCHSA-N 1 0 341.499 4.124 20 30 EIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CCc2nc(Cl)ccc21)C(C)C ZINC000806131030 1047155934 /nfs/dbraw/zinc/15/59/34/1047155934.db2.gz FOIKMFXRONMIFW-AEFFLSMTSA-N 1 0 333.907 4.011 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)c1 ZINC000806146304 1047170115 /nfs/dbraw/zinc/17/01/15/1047170115.db2.gz MWVQTFOVUOWNHN-PBHICJAKSA-N 1 0 341.842 4.193 20 30 EIEDRO CC(C)[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCO1 ZINC000537405545 1047199516 /nfs/dbraw/zinc/19/95/16/1047199516.db2.gz OGCSQQFCPQBTFT-DRDORILISA-N 1 0 342.483 4.041 20 30 EIEDRO CC(C)[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCO1 ZINC000537405548 1047199645 /nfs/dbraw/zinc/19/96/45/1047199645.db2.gz OGCSQQFCPQBTFT-VUMZAAJDSA-N 1 0 342.483 4.041 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000788618504 1047249693 /nfs/dbraw/zinc/24/96/93/1047249693.db2.gz ARTPHFBPBAKWKC-VHKYSDTDSA-N 1 0 326.415 4.106 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H](O)c1ccccc1 ZINC000788619683 1047252541 /nfs/dbraw/zinc/25/25/41/1047252541.db2.gz FHDBKCDBVRYZDV-VHKYSDTDSA-N 1 0 326.415 4.106 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000788641295 1047257159 /nfs/dbraw/zinc/25/71/59/1047257159.db2.gz CQDWWWZTSZVLTN-OXQOHEQNSA-N 1 0 336.435 4.240 20 30 EIEDRO CC(C)(C#N)CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000325553742 1047259273 /nfs/dbraw/zinc/25/92/73/1047259273.db2.gz LWTBMOYBWZMXSJ-UHFFFAOYSA-N 1 0 339.405 4.157 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000666866332 1047270763 /nfs/dbraw/zinc/27/07/63/1047270763.db2.gz MUEMUWKTDGCHLF-GOSISDBHSA-N 1 0 343.515 4.487 20 30 EIEDRO C=CCCC1(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000476066945 1047271026 /nfs/dbraw/zinc/27/10/26/1047271026.db2.gz ZFDDHEPVGJXLJC-QGZVFWFLSA-N 1 0 326.484 4.075 20 30 EIEDRO C=CCCC1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000476085769 1047304714 /nfs/dbraw/zinc/30/47/14/1047304714.db2.gz VDFOEKQIKKJUAY-QUCCMNQESA-N 1 0 340.511 4.244 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2oc3ccccc3c2OC)cc1 ZINC000788980236 1047351022 /nfs/dbraw/zinc/35/10/22/1047351022.db2.gz LQTYUQOOWJAAHZ-HNNXBMFYSA-N 1 0 335.403 4.304 20 30 EIEDRO C#CCn1ccc(C[N@H+](CC)CCCc2cccc3ccccc32)n1 ZINC000789325717 1047402815 /nfs/dbraw/zinc/40/28/15/1047402815.db2.gz IQYHPOGMXOGETL-UHFFFAOYSA-N 1 0 331.463 4.124 20 30 EIEDRO C[NH+](C)[C@H](C/N=C\c1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000746816226 1047428312 /nfs/dbraw/zinc/42/83/12/1047428312.db2.gz OOZQGHHHTJRPLL-HSGPEQJXSA-N 1 0 337.250 4.421 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC1CC[NH+](C2CCCCC2)CC1 ZINC000746816730 1047428438 /nfs/dbraw/zinc/42/84/38/1047428438.db2.gz SOIZYBOOYJDLGQ-PXLXIMEGSA-N 1 0 337.467 4.156 20 30 EIEDRO CC[C@H]([NH2+][C@H](CCC(=O)OC)c1ccccc1)c1ccc(C#N)cc1 ZINC000556078430 1047435996 /nfs/dbraw/zinc/43/59/96/1047435996.db2.gz LQMPEVQAWZEYCD-VQTJNVASSA-N 1 0 336.435 4.293 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000556094347 1047446463 /nfs/dbraw/zinc/44/64/63/1047446463.db2.gz SDZLRLIJMYKWMG-IBGZPJMESA-N 1 0 339.435 4.279 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(N=Nc3nccnc3C3CCC3)CC2)C1 ZINC000807993571 1047566346 /nfs/dbraw/zinc/56/63/46/1047566346.db2.gz AMWIDMDHZDVYFN-MAUKXSAKSA-N 1 0 341.503 4.187 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)CC1 ZINC000106037091 1047658456 /nfs/dbraw/zinc/65/84/56/1047658456.db2.gz ZFZRYPTVHNHYPN-QFWMWPAFSA-N 1 0 344.543 4.140 20 30 EIEDRO COc1ccc(C[N@H+](C2CC2)C2CCCC2)cc1OCCCC#N ZINC000130226238 1047658646 /nfs/dbraw/zinc/65/86/46/1047658646.db2.gz OWUGZBLDNWTFTK-UHFFFAOYSA-N 1 0 328.456 4.285 20 30 EIEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000460355359 1047666560 /nfs/dbraw/zinc/66/65/60/1047666560.db2.gz WTQHUDPRZJSBEN-DFQSSKMNSA-N 1 0 341.499 4.126 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000556408747 1047739566 /nfs/dbraw/zinc/73/95/66/1047739566.db2.gz BGPYRPCCRXMYRS-UHFFFAOYSA-N 1 0 332.325 4.236 20 30 EIEDRO N#Cc1cncc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)c1 ZINC000930060509 1047771946 /nfs/dbraw/zinc/77/19/46/1047771946.db2.gz KDRBGTSBBBPYJH-UHFFFAOYSA-N 1 0 343.883 4.363 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCCC[C@H]3Cc3ccccc3)n2c1 ZINC000556594691 1047833863 /nfs/dbraw/zinc/83/38/63/1047833863.db2.gz GLTVDPKDMKMPPS-FPOVZHCZSA-N 1 0 344.462 4.097 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000824389728 1047866137 /nfs/dbraw/zinc/86/61/37/1047866137.db2.gz RKLFFYKGURNRMI-PWZRNIHTSA-N 1 0 341.282 4.479 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)cc2)CC1 ZINC000824656787 1047895863 /nfs/dbraw/zinc/89/58/63/1047895863.db2.gz MTIWSDFBKXYPPJ-FCHUYYIVSA-N 1 0 346.474 4.330 20 30 EIEDRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]Cc1ccc(C#N)cn1 ZINC000808408046 1047897105 /nfs/dbraw/zinc/89/71/05/1047897105.db2.gz IFNWCLKRZZPREQ-QPEQYQDCSA-N 1 0 331.341 4.165 20 30 EIEDRO C=CC[N@@H+](Cc1[nH]c(C)c(CCC(=O)OC)c1C)C1CCCCC1 ZINC001136923331 1047900865 /nfs/dbraw/zinc/90/08/65/1047900865.db2.gz NMIOEDGZEUKUEN-UHFFFAOYSA-N 1 0 332.488 4.058 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1Cl ZINC000808444359 1047902878 /nfs/dbraw/zinc/90/28/78/1047902878.db2.gz GZNAULYWCCLCAH-IFXJQAMLSA-N 1 0 331.843 4.117 20 30 EIEDRO CC(C)(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC001171068866 1047949876 /nfs/dbraw/zinc/94/98/76/1047949876.db2.gz PIOJFGIBKWNJMW-QGZVFWFLSA-N 1 0 341.499 4.424 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000824969698 1048011475 /nfs/dbraw/zinc/01/14/75/1048011475.db2.gz IGHICZJRCIPWDS-DOMZBBRYSA-N 1 0 327.255 4.041 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CC(c3ccc(Cl)cc3)C2)cc1 ZINC000824988169 1048018101 /nfs/dbraw/zinc/01/81/01/1048018101.db2.gz HSPFOCPUHNUTTQ-CQSZACIVSA-N 1 0 326.827 4.230 20 30 EIEDRO CCCN1Cc2cccc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)c2C1 ZINC000556817783 1048036783 /nfs/dbraw/zinc/03/67/83/1048036783.db2.gz PEFKGYTWFGJSHD-RBUKOAKNSA-N 1 0 345.446 4.026 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)c(C)cc2O)c1 ZINC000825291036 1048062488 /nfs/dbraw/zinc/06/24/88/1048062488.db2.gz CHMQZVLJZRECGH-MRXNPFEDSA-N 1 0 344.842 4.325 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C)s1)C(C)C ZINC000919787286 1048065109 /nfs/dbraw/zinc/06/51/09/1048065109.db2.gz SGBCPGCUAAMHCQ-IRXDYDNUSA-N 1 0 349.544 4.115 20 30 EIEDRO Cc1cc(F)ccc1[C@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000814656820 1048104004 /nfs/dbraw/zinc/10/40/04/1048104004.db2.gz ABJGXGZAMXFRCD-WOJBJXKFSA-N 1 0 326.415 4.192 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1 ZINC000814658450 1048104044 /nfs/dbraw/zinc/10/40/44/1048104044.db2.gz DLDIBLIHMXKOFT-LJQANCHMSA-N 1 0 348.402 4.023 20 30 EIEDRO O[C@H](c1ccccc1)[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000808786875 1048108843 /nfs/dbraw/zinc/10/88/43/1048108843.db2.gz GTHPXXFIXNSEIV-XZOQPEGZSA-N 1 0 327.427 4.103 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)ccc1Cl ZINC000217141811 1048146466 /nfs/dbraw/zinc/14/64/66/1048146466.db2.gz VABICGVZMGSGMD-KBXCAEBGSA-N 1 0 347.890 4.063 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(Cc3cc(F)ccc3F)CC2)ccc1F ZINC001171097160 1048163465 /nfs/dbraw/zinc/16/34/65/1048163465.db2.gz CVKXZVLBCAMOEM-UHFFFAOYSA-N 1 0 344.380 4.430 20 30 EIEDRO C[NH+]1CCC(N(Cc2c(Cl)cccc2C#N)C2CCCC2)CC1 ZINC001143732746 1048170064 /nfs/dbraw/zinc/17/00/64/1048170064.db2.gz TVKRNQJBLZOPJZ-UHFFFAOYSA-N 1 0 331.891 4.050 20 30 EIEDRO COc1ccc([C@@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)cc1 ZINC001143731264 1048176034 /nfs/dbraw/zinc/17/60/34/1048176034.db2.gz QHRZYUPRURWCMN-MRXNPFEDSA-N 1 0 326.827 4.210 20 30 EIEDRO CC(=NNc1ccc(OC(F)F)cc1)c1ccc(C[NH+](C)C)cc1 ZINC000814828631 1048187391 /nfs/dbraw/zinc/18/73/91/1048187391.db2.gz MDPJVCSGAPTBCD-UHFFFAOYSA-N 1 0 333.382 4.186 20 30 EIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)[C@@H]1CCCc2ccc(F)cc21 ZINC001170768622 1048205068 /nfs/dbraw/zinc/20/50/68/1048205068.db2.gz BNEXKGCDIKEDLX-OAQYLSRUSA-N 1 0 338.426 4.223 20 30 EIEDRO CCc1cc(Br)ccc1N=NC(C)C1CC[NH+](C)CC1 ZINC000814901441 1048223052 /nfs/dbraw/zinc/22/30/52/1048223052.db2.gz NINDOBUMSHRFLK-UHFFFAOYSA-N 1 0 338.293 4.141 20 30 EIEDRO CC(C)c1nccnc1N=NC1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814917382 1048258321 /nfs/dbraw/zinc/25/83/21/1048258321.db2.gz UREPNQZIGOGBDH-INIZCTEOSA-N 1 0 337.471 4.052 20 30 EIEDRO COc1cc(NN=C(C)c2ccc(C[NH+](C)C)cc2)ccc1Cl ZINC000814919417 1048260042 /nfs/dbraw/zinc/26/00/42/1048260042.db2.gz LBQAWIDTFPULKS-UHFFFAOYSA-N 1 0 331.847 4.246 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@H](O)c1ccccc1 ZINC000844326515 1048295691 /nfs/dbraw/zinc/29/56/91/1048295691.db2.gz GQNIWRQEMYJKDX-RTBURBONSA-N 1 0 328.843 4.059 20 30 EIEDRO C#CCC(C)(C)c1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000809303034 1048307964 /nfs/dbraw/zinc/30/79/64/1048307964.db2.gz PFVCCEYESHWPKD-UHFFFAOYSA-N 1 0 337.467 4.269 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815026872 1048307995 /nfs/dbraw/zinc/30/79/95/1048307995.db2.gz VZMFBWORXFWCAK-LJQANCHMSA-N 1 0 334.419 4.248 20 30 EIEDRO N#Cc1ccc(C[N@@H+](C[C@H](O)c2cccc3ccccc32)C2CC2)cc1 ZINC000815028020 1048308699 /nfs/dbraw/zinc/30/86/99/1048308699.db2.gz OGPVNMJMAARYDC-QHCPKHFHSA-N 1 0 342.442 4.409 20 30 EIEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(OCC(C)C)CC2)c1O ZINC000919943686 1048326350 /nfs/dbraw/zinc/32/63/50/1048326350.db2.gz QIQONSZLNWBQPA-UHFFFAOYSA-N 1 0 347.499 4.156 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC001144061196 1048389837 /nfs/dbraw/zinc/38/98/37/1048389837.db2.gz MJPCVMDPSNQPHK-UHFFFAOYSA-N 1 0 343.496 4.182 20 30 EIEDRO CC(C)(C)OC(=O)NCC12CCC(CC1)C[N@@H+]2CCCC(C)(C)C#N ZINC000809568336 1048404424 /nfs/dbraw/zinc/40/44/24/1048404424.db2.gz LTTNIRBWIPGPOY-UHFFFAOYSA-N 1 0 349.519 4.086 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000809568053 1048404809 /nfs/dbraw/zinc/40/48/09/1048404809.db2.gz DVSONKFSKVBFOH-UHFFFAOYSA-N 1 0 343.430 4.098 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)cc1 ZINC000809612436 1048418677 /nfs/dbraw/zinc/41/86/77/1048418677.db2.gz MMOBXXXPGGWKPS-UHFFFAOYSA-N 1 0 332.378 4.284 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000809609182 1048419197 /nfs/dbraw/zinc/41/91/97/1048419197.db2.gz GCKFXZWSLYBFIE-CQSZACIVSA-N 1 0 333.353 4.460 20 30 EIEDRO C#Cc1ccc(CNc2cccc(C[NH+]3CCSCC3)c2C)cc1 ZINC000809600354 1048434052 /nfs/dbraw/zinc/43/40/52/1048434052.db2.gz SFEMVIJBDZJWGB-UHFFFAOYSA-N 1 0 336.504 4.137 20 30 EIEDRO N#Cc1ccc(C(=[NH2+])N[C@@H]2CCc3cc(Cl)c(Cl)cc3C2)cc1 ZINC001171143925 1048445747 /nfs/dbraw/zinc/44/57/47/1048445747.db2.gz LJNOEGBQATYDBF-OAHLLOKOSA-N 1 0 344.245 4.128 20 30 EIEDRO C#C[C@@H](CC)NCc1csc(-c2cccc(Br)c2)n1 ZINC000809686022 1048474184 /nfs/dbraw/zinc/47/41/84/1048474184.db2.gz IMBNIWMSXLIRTJ-ZDUSSCGKSA-N 1 0 335.270 4.074 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)nc1 ZINC001144166521 1048478593 /nfs/dbraw/zinc/47/85/93/1048478593.db2.gz JELPAIDIOQKYLA-QGZVFWFLSA-N 1 0 331.341 4.309 20 30 EIEDRO C=CCC1(C(=O)Nc2cccc(OCC[NH+](CC)CC)c2)CCCC1 ZINC001135088952 1048504149 /nfs/dbraw/zinc/50/41/49/1048504149.db2.gz YVVVPZPOSJONSU-UHFFFAOYSA-N 1 0 344.499 4.482 20 30 EIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000815636899 1048564709 /nfs/dbraw/zinc/56/47/09/1048564709.db2.gz FURUATKOWZNNFG-AWEZNQCLSA-N 1 0 333.476 4.103 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000815634808 1048565935 /nfs/dbraw/zinc/56/59/35/1048565935.db2.gz QYPBLRCHPZVVEH-QWHCGFSZSA-N 1 0 326.282 4.415 20 30 EIEDRO CCOc1ccc(O)c(/C=N\[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000920175088 1048575126 /nfs/dbraw/zinc/57/51/26/1048575126.db2.gz TYSXVMBWAFKGTA-KDNRWNGDSA-N 1 0 338.451 4.045 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N=Cc2cc3ccccc3[nH]c2=O)C1 ZINC000920175622 1048575349 /nfs/dbraw/zinc/57/53/49/1048575349.db2.gz YZKLFLJJKFJMJT-KTKVCYSRSA-N 1 0 345.446 4.195 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000815650669 1048575368 /nfs/dbraw/zinc/57/53/68/1048575368.db2.gz YIOIOGOKHIGUJN-ZDUSSCGKSA-N 1 0 349.352 4.290 20 30 EIEDRO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H](CC)CCCCCC ZINC001170592071 1048587233 /nfs/dbraw/zinc/58/72/33/1048587233.db2.gz GWINWEMFXRJCOE-IEBWSBKVSA-N 1 0 348.535 4.149 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc(C(C)(C)C)ccc3C#N)c2c1 ZINC001171165478 1048609385 /nfs/dbraw/zinc/60/93/85/1048609385.db2.gz IPEQIVWUQFCVGY-HNNXBMFYSA-N 1 0 346.478 4.393 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810132015 1048640746 /nfs/dbraw/zinc/64/07/46/1048640746.db2.gz HWIMFKYAVBFVQV-KRWDZBQOSA-N 1 0 347.462 4.120 20 30 EIEDRO C#CC[N@@H+](Cc1c[nH]c2nc(Cl)ccc12)[C@@H]1CCc2ccccc21 ZINC001144416118 1048651088 /nfs/dbraw/zinc/65/10/88/1048651088.db2.gz XWKRROJCQMRKJE-GOSISDBHSA-N 1 0 335.838 4.339 20 30 EIEDRO COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@H](C)Cc1cccc(C#N)c1 ZINC001171181475 1048663404 /nfs/dbraw/zinc/66/34/04/1048663404.db2.gz LRBBOKMJUAYRAT-HZPDHXFCSA-N 1 0 347.462 4.215 20 30 EIEDRO N#CCc1ccc(Cl)cc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171184984 1048672414 /nfs/dbraw/zinc/67/24/14/1048672414.db2.gz CWYSQBRQSBYJHW-UHFFFAOYSA-N 1 0 335.794 4.302 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)cccc1C(F)(F)F ZINC001171183621 1048674115 /nfs/dbraw/zinc/67/41/15/1048674115.db2.gz HCNKFZXDVNIZFF-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO [NH2+]=C(Nc1ccc(Br)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184614 1048676160 /nfs/dbraw/zinc/67/61/60/1048676160.db2.gz NTOCQXCSDLFQET-UHFFFAOYSA-N 1 0 341.208 4.345 20 30 EIEDRO [NH2+]=C(Nc1ccc(C2=CCOCC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184611 1048676388 /nfs/dbraw/zinc/67/63/88/1048676388.db2.gz NSOAEFVFHRCNFN-UHFFFAOYSA-N 1 0 344.414 4.386 20 30 EIEDRO C[N@H+](CCc1ccc(Br)cc1)Cc1ccc(C#N)cc1F ZINC000609316086 1048679326 /nfs/dbraw/zinc/67/93/26/1048679326.db2.gz ZOUZORCHUCTUPB-UHFFFAOYSA-N 1 0 347.231 4.134 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)CC2 ZINC000810217729 1048686141 /nfs/dbraw/zinc/68/61/41/1048686141.db2.gz AWYDWBVOFFREFH-YADHBBJMSA-N 1 0 332.447 4.303 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000810224706 1048692752 /nfs/dbraw/zinc/69/27/52/1048692752.db2.gz KKUDFWVXLOBZTI-HXUWFJFHSA-N 1 0 348.446 4.081 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)CC2 ZINC000810227591 1048695491 /nfs/dbraw/zinc/69/54/91/1048695491.db2.gz YLQGWAJMHFYTMJ-IAGOWNOFSA-N 1 0 347.245 4.176 20 30 EIEDRO COc1ccc(C[NH+]2CCC(S)CC2)cc1OCc1ccccc1 ZINC001144498587 1048700368 /nfs/dbraw/zinc/70/03/68/1048700368.db2.gz SUILRAFUVBOZJW-UHFFFAOYSA-N 1 0 343.492 4.168 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC001171193771 1048704146 /nfs/dbraw/zinc/70/41/46/1048704146.db2.gz ZUTVLACOGMIYPV-GFCCVEGCSA-N 1 0 333.357 4.079 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(N3CCCCC3)cc1)CC2 ZINC000810211042 1048710077 /nfs/dbraw/zinc/71/00/77/1048710077.db2.gz KRAPGOPZEXKHGJ-QHCPKHFHSA-N 1 0 345.490 4.368 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)OCc3ccccc3)cc2)C1 ZINC000810249990 1048727490 /nfs/dbraw/zinc/72/74/90/1048727490.db2.gz KDEHIBRTUCNAFC-CTNGQTDRSA-N 1 0 348.446 4.216 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1cc(CC[NH3+])c2c1cccc2Cl ZINC001171202066 1048758339 /nfs/dbraw/zinc/75/83/39/1048758339.db2.gz VFNPHMVCFHAVSP-AWEZNQCLSA-N 1 0 337.854 4.471 20 30 EIEDRO C#Cc1ccccc1CC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000810340952 1048764862 /nfs/dbraw/zinc/76/48/62/1048764862.db2.gz ZQRQDURNWGDGKS-UHFFFAOYSA-N 1 0 346.474 4.211 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCNC3=O)cc2)C1 ZINC000845978913 1048773956 /nfs/dbraw/zinc/77/39/56/1048773956.db2.gz YTQWYRGRKUBJFJ-LZLYRXPVSA-N 1 0 327.472 4.002 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@](C)(O)c1ccccc1 ZINC000846036183 1048801548 /nfs/dbraw/zinc/80/15/48/1048801548.db2.gz JCCVWLAJNDEMCE-NNFZLKSESA-N 1 0 348.490 4.276 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000920943676 1048817353 /nfs/dbraw/zinc/81/73/53/1048817353.db2.gz CCVCBHADIFCOOI-MXDDHBLUSA-N 1 0 334.872 4.363 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000816631671 1048851551 /nfs/dbraw/zinc/85/15/51/1048851551.db2.gz ZTEUSUYGFOARDA-QFIPXVFZSA-N 1 0 349.474 4.082 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001171220714 1048854984 /nfs/dbraw/zinc/85/49/84/1048854984.db2.gz BCIGMBWZIFCFJL-SFHVURJKSA-N 1 0 334.463 4.170 20 30 EIEDRO C[NH+](C)C1(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCCC1 ZINC001144832822 1048866095 /nfs/dbraw/zinc/86/60/95/1048866095.db2.gz GVADYNCKQDFJFI-UHFFFAOYSA-N 1 0 349.434 4.163 20 30 EIEDRO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171230243 1048871384 /nfs/dbraw/zinc/87/13/84/1048871384.db2.gz CACMRGGSZLPOTF-UTKZUKDTSA-N 1 0 334.463 4.473 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC001171230524 1048871839 /nfs/dbraw/zinc/87/18/39/1048871839.db2.gz VSQGCIYTIFZKHO-GOSISDBHSA-N 1 0 346.474 4.349 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001171232449 1048878003 /nfs/dbraw/zinc/87/80/03/1048878003.db2.gz SKXJIXPQAPSSEX-XXBNENTESA-N 1 0 347.506 4.086 20 30 EIEDRO CCCCCCCCCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000846700905 1048887422 /nfs/dbraw/zinc/88/74/22/1048887422.db2.gz ZSKGISPNDIFEKU-QRVBRYPASA-N 1 0 338.536 4.015 20 30 EIEDRO C=C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1ccccc1 ZINC001132619144 1048953761 /nfs/dbraw/zinc/95/37/61/1048953761.db2.gz NCXYOIDHNPNDLZ-RXVVDRJESA-N 1 0 340.511 4.260 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cncc(C(F)(F)F)c3)CCC2)cc1 ZINC000847059820 1048988484 /nfs/dbraw/zinc/98/84/84/1048988484.db2.gz PLKPOKGSMLOGLR-UHFFFAOYSA-N 1 0 331.341 4.141 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)NCC1(c2ccc(C(C)C)cc2)CCCC1 ZINC001145103959 1048988880 /nfs/dbraw/zinc/98/88/80/1048988880.db2.gz RLFFKHCVZOARFS-UHFFFAOYSA-N 1 0 342.527 4.246 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000817585450 1049014713 /nfs/dbraw/zinc/01/47/13/1049014713.db2.gz MQKSBSUIGAMUBW-LBPRGKRZSA-N 1 0 342.306 4.276 20 30 EIEDRO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001171265773 1049000058 /nfs/dbraw/zinc/00/00/58/1049000058.db2.gz AKUOJVKBVLHIQV-XJKSGUPXSA-N 1 0 348.874 4.011 20 30 EIEDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001171265772 1049000949 /nfs/dbraw/zinc/00/09/49/1049000949.db2.gz AKUOJVKBVLHIQV-CZUORRHYSA-N 1 0 348.874 4.011 20 30 EIEDRO C=CCc1cc(C)cnc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171275372 1049009931 /nfs/dbraw/zinc/00/99/31/1049009931.db2.gz YVZRZEVBCZNFGY-UHFFFAOYSA-N 1 0 346.478 4.089 20 30 EIEDRO C=C(C)c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1 ZINC001171275028 1049011337 /nfs/dbraw/zinc/01/13/37/1049011337.db2.gz MRQLMANTYXNHGH-UHFFFAOYSA-N 1 0 332.451 4.085 20 30 EIEDRO C=CC[C@H](C)[NH2+]Cc1cc(Br)c(OCCC)c(OC)c1 ZINC000134749938 1049011727 /nfs/dbraw/zinc/01/17/27/1049011727.db2.gz CPTIOBRJEFUVJA-LBPRGKRZSA-N 1 0 342.277 4.301 20 30 EIEDRO CC(C)(C)c1ccnc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171276754 1049021706 /nfs/dbraw/zinc/02/17/06/1049021706.db2.gz DPIPVNBFWLLKQK-UHFFFAOYSA-N 1 0 348.494 4.349 20 30 EIEDRO N#CCc1ccc(Cl)cc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001170631766 1049030707 /nfs/dbraw/zinc/03/07/07/1049030707.db2.gz XLZFXZORRDAWNP-UHFFFAOYSA-N 1 0 343.902 4.140 20 30 EIEDRO CNc1cccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1C ZINC001171282710 1049045822 /nfs/dbraw/zinc/04/58/22/1049045822.db2.gz ZETMYOYKVGQNAL-UHFFFAOYSA-N 1 0 334.467 4.007 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000135141288 1049076027 /nfs/dbraw/zinc/07/60/27/1049076027.db2.gz DTBIPVWCXJIHSF-LJQANCHMSA-N 1 0 338.451 4.262 20 30 EIEDRO CN(C)/C=[NH+]/c1ccc(N[C@@H](c2ccccc2)C(F)(F)F)cc1C#N ZINC001170884199 1049076933 /nfs/dbraw/zinc/07/69/33/1049076933.db2.gz XGLUJQBDXLPWKL-FZJZADEZSA-N 1 0 346.356 4.495 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000818346388 1049126991 /nfs/dbraw/zinc/12/69/91/1049126991.db2.gz DRMFNZXPIUVEHE-DWLFOUALSA-N 1 0 337.463 4.247 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000818346948 1049129385 /nfs/dbraw/zinc/12/93/85/1049129385.db2.gz LDZWOBSBBIHYIH-UBHSHLNASA-N 1 0 343.439 4.252 20 30 EIEDRO CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000609540574 1049144430 /nfs/dbraw/zinc/14/44/30/1049144430.db2.gz FCVMJIRKPJRYGL-CQSZACIVSA-N 1 0 347.528 4.195 20 30 EIEDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]CCCCCCS)CC2 ZINC001171306885 1049158120 /nfs/dbraw/zinc/15/81/20/1049158120.db2.gz PGQOLORWEGOJQY-CYBMUJFWSA-N 1 0 327.921 4.286 20 30 EIEDRO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC001171307667 1049170163 /nfs/dbraw/zinc/17/01/63/1049170163.db2.gz NPCRKXDLHYMSBU-SJORKVTESA-N 1 0 334.504 4.293 20 30 EIEDRO C=CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccncc1 ZINC000819075066 1049260045 /nfs/dbraw/zinc/26/00/45/1049260045.db2.gz ZRXUJZWPDHHCFY-SJORKVTESA-N 1 0 336.357 4.041 20 30 EIEDRO CC(C)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000609676987 1049262863 /nfs/dbraw/zinc/26/28/63/1049262863.db2.gz JSVMGSDFYBIIGM-CRAIPNDOSA-N 1 0 329.488 4.326 20 30 EIEDRO C#CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819190181 1049274651 /nfs/dbraw/zinc/27/46/51/1049274651.db2.gz HWTWCINWCDUWSH-MSOLQXFVSA-N 1 0 333.353 4.093 20 30 EIEDRO N#Cc1ccc([C@H](O)CNc2ccc([NH+]3CCCCCC3)cc2)cc1 ZINC000819395108 1049303938 /nfs/dbraw/zinc/30/39/38/1049303938.db2.gz JTDIXUHNKMGZIA-OAQYLSRUSA-N 1 0 335.451 4.084 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000819378217 1049312057 /nfs/dbraw/zinc/31/20/57/1049312057.db2.gz XCDZAWCEUBHABL-RBUKOAKNSA-N 1 0 344.817 4.051 20 30 EIEDRO CC(C)([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1ccc(C#N)cc1 ZINC001170656592 1049349112 /nfs/dbraw/zinc/34/91/12/1049349112.db2.gz BJKIZFNDYXBOGE-KRWDZBQOSA-N 1 0 326.390 4.219 20 30 EIEDRO C=CCC1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCCC1 ZINC001136247736 1049354886 /nfs/dbraw/zinc/35/48/86/1049354886.db2.gz JJFZPCKSGYNQCH-UHFFFAOYSA-N 1 0 344.499 4.482 20 30 EIEDRO CC#CC(=O)Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000819760607 1049373226 /nfs/dbraw/zinc/37/32/26/1049373226.db2.gz YMUGZLDDGFOKGM-UHFFFAOYSA-N 1 0 332.447 4.028 20 30 EIEDRO Cc1ccccc1C[N@@H+]1CCCN(c2cc(Cl)ccc2C#N)CC1 ZINC000609891682 1049383606 /nfs/dbraw/zinc/38/36/06/1049383606.db2.gz ZJIUYNLMRQFWOM-UHFFFAOYSA-N 1 0 339.870 4.232 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1cccc(C#N)n1)c1ccccc1Cl ZINC000609893401 1049385175 /nfs/dbraw/zinc/38/51/75/1049385175.db2.gz DEKFYKNIHUCFBB-KRWDZBQOSA-N 1 0 328.847 4.102 20 30 EIEDRO C[NH2+]Cc1ccc(NC(=O)c2ccc(C(C)(C)CCC#N)cc2)cc1 ZINC001148906059 1049397559 /nfs/dbraw/zinc/39/75/59/1049397559.db2.gz CNDWAJKSYGAACE-UHFFFAOYSA-N 1 0 335.451 4.240 20 30 EIEDRO C[C@H](CNc1ccc(C#N)cc1C(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000609963943 1049421609 /nfs/dbraw/zinc/42/16/09/1049421609.db2.gz KQPVMWZTFWSRSO-QWHCGFSZSA-N 1 0 325.378 4.109 20 30 EIEDRO C=C[C@@H](CC)CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000820170673 1049452097 /nfs/dbraw/zinc/45/20/97/1049452097.db2.gz QFDABGPECCZQTH-IBGZPJMESA-N 1 0 340.511 4.103 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 ZINC001136333867 1049488944 /nfs/dbraw/zinc/48/89/44/1049488944.db2.gz SVJLWRIKFYYNOD-UHFFFAOYSA-N 1 0 347.478 4.041 20 30 EIEDRO C#CCSCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000773009661 1049520840 /nfs/dbraw/zinc/52/08/40/1049520840.db2.gz DMFXRODBULLGQU-OAHLLOKOSA-N 1 0 346.496 4.283 20 30 EIEDRO C#CCCCC[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000773037742 1049543923 /nfs/dbraw/zinc/54/39/23/1049543923.db2.gz QQKTXKZWILTKHB-SFHVURJKSA-N 1 0 347.462 4.367 20 30 EIEDRO C=C(C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)c1ccccc1 ZINC000812719303 1049549377 /nfs/dbraw/zinc/54/93/77/1049549377.db2.gz XGONNHCOVAKPOE-LPHOPBHVSA-N 1 0 344.499 4.325 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)cc1C#N ZINC000773073574 1049565912 /nfs/dbraw/zinc/56/59/12/1049565912.db2.gz DGJRNEZXTRZGBO-LBPRGKRZSA-N 1 0 329.469 4.306 20 30 EIEDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000773076722 1049566013 /nfs/dbraw/zinc/56/60/13/1049566013.db2.gz OPGHIYPJCZYATM-GOSISDBHSA-N 1 0 339.395 4.106 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1C#N ZINC000773073786 1049567963 /nfs/dbraw/zinc/56/79/63/1049567963.db2.gz FPRKXJAZBCKBIR-UHFFFAOYSA-N 1 0 345.446 4.061 20 30 EIEDRO Cc1cc(CC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)ccc1Cl ZINC000812773033 1049570721 /nfs/dbraw/zinc/57/07/21/1049570721.db2.gz PBSJHLAGWWQTDB-OAHLLOKOSA-N 1 0 328.843 4.272 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812791938 1049588939 /nfs/dbraw/zinc/58/89/39/1049588939.db2.gz DURBEAPTATXNKQ-VCBZYWHSSA-N 1 0 341.426 4.299 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000821022836 1049588836 /nfs/dbraw/zinc/58/88/36/1049588836.db2.gz WAFGNVGZAINWBE-CSKARUKUSA-N 1 0 335.447 4.358 20 30 EIEDRO CC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848012 1049610831 /nfs/dbraw/zinc/61/08/31/1049610831.db2.gz HPNZDDYZNKRZMV-DYESRHJHSA-N 1 0 336.479 4.432 20 30 EIEDRO CC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849956 1049611056 /nfs/dbraw/zinc/61/10/56/1049611056.db2.gz RZJSQEHQRZEJMT-OXJNMPFZSA-N 1 0 327.855 4.136 20 30 EIEDRO Cc1c(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)oc2ccc(F)cc12 ZINC000237601976 1049650230 /nfs/dbraw/zinc/65/02/30/1049650230.db2.gz CMTXXOGVINMXCO-CYBMUJFWSA-N 1 0 338.382 4.461 20 30 EIEDRO Fc1cccc2c1CC[C@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C2 ZINC001171417649 1049653997 /nfs/dbraw/zinc/65/39/97/1049653997.db2.gz DKZMZMWDJUHVLP-JTQLQIEISA-N 1 0 343.286 4.404 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000237705545 1049707416 /nfs/dbraw/zinc/70/74/16/1049707416.db2.gz LSKBBYAKVTUAFQ-UONOGXRCSA-N 1 0 346.377 4.430 20 30 EIEDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001171458130 1049711761 /nfs/dbraw/zinc/71/17/61/1049711761.db2.gz NMOMGRZJBIAGAT-ICSRJNTNSA-N 1 0 326.484 4.475 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000822455327 1049764822 /nfs/dbraw/zinc/76/48/22/1049764822.db2.gz CPBOSRMRMPLYTF-JQHSSLGASA-N 1 0 345.487 4.076 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC001171613682 1049764887 /nfs/dbraw/zinc/76/48/87/1049764887.db2.gz OPDGJSZPDILMDL-IXDOHACOSA-N 1 0 349.519 4.036 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001171705626 1049780949 /nfs/dbraw/zinc/78/09/49/1049780949.db2.gz DAEYRRPXKMKMFM-YWZLYKJASA-N 1 0 340.854 4.256 20 30 EIEDRO Cc1cc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc(C)c1C#N ZINC001136615311 1049786392 /nfs/dbraw/zinc/78/63/92/1049786392.db2.gz FMDIDWKOAJVEJU-QGZVFWFLSA-N 1 0 349.478 4.034 20 30 EIEDRO C#C[C@@](C)(CC)[NH2+][C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171817675 1049801920 /nfs/dbraw/zinc/80/19/20/1049801920.db2.gz FZBQQAWNEOPHRG-CLWJZODNSA-N 1 0 336.520 4.335 20 30 EIEDRO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171823740 1049803004 /nfs/dbraw/zinc/80/30/04/1049803004.db2.gz HYVLUNLKDIZQMM-BDXSIMOUSA-N 1 0 349.519 4.179 20 30 EIEDRO C[C@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CCCC#N ZINC001171841103 1049811916 /nfs/dbraw/zinc/81/19/16/1049811916.db2.gz KBRSMTWCSIVQRL-MRXNPFEDSA-N 1 0 326.362 4.286 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842147 1049812529 /nfs/dbraw/zinc/81/25/29/1049812529.db2.gz ZLASBTWCSJZVAS-CRAIPNDOSA-N 1 0 334.891 4.195 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC001171847761 1049813535 /nfs/dbraw/zinc/81/35/35/1049813535.db2.gz RNSKKEBKZFDZTH-CYBMUJFWSA-N 1 0 342.252 4.255 20 30 EIEDRO CCCCCCCCC[N@@H+]1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC001171862594 1049814199 /nfs/dbraw/zinc/81/41/99/1049814199.db2.gz MVPDYIVWIQOYOA-PXNSSMCTSA-N 1 0 339.520 4.027 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cnc(-c2ccccc2OC)nc1)c1ccccc1 ZINC000813773618 1049814778 /nfs/dbraw/zinc/81/47/78/1049814778.db2.gz AHLOEVBOPFYNEE-FQEVSTJZSA-N 1 0 343.430 4.006 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001171920743 1049820093 /nfs/dbraw/zinc/82/00/93/1049820093.db2.gz MKOILVMKVKFQPH-RCCFBDPRSA-N 1 0 336.520 4.358 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000813877866 1049830893 /nfs/dbraw/zinc/83/08/93/1049830893.db2.gz GDOJGJALGSABHK-YESZJQIVSA-N 1 0 336.520 4.499 20 30 EIEDRO C=C(C)C[N@@H+](CC)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171995966 1049833112 /nfs/dbraw/zinc/83/31/12/1049833112.db2.gz CGJCHNRFPRIQFL-UHFFFAOYSA-N 1 0 337.305 4.316 20 30 EIEDRO C#CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172047790 1049843471 /nfs/dbraw/zinc/84/34/71/1049843471.db2.gz BXKNYNTVJSGWBJ-KRWDZBQOSA-N 1 0 334.504 4.092 20 30 EIEDRO CC(C)[C@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063579 1049849998 /nfs/dbraw/zinc/84/99/98/1049849998.db2.gz BYQNDZYEDWEUIZ-BURNTYAHSA-N 1 0 325.500 4.100 20 30 EIEDRO C[C@@H](C#N)Oc1ccccc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180202603 1049860874 /nfs/dbraw/zinc/86/08/74/1049860874.db2.gz HUYAGBIXLVAWSS-HKUYNNGSSA-N 1 0 335.451 4.054 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCOc1cccc2ccccc21 ZINC001172302930 1049872919 /nfs/dbraw/zinc/87/29/19/1049872919.db2.gz SWZSSPMDEYMOIO-KRWDZBQOSA-N 1 0 330.431 4.311 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc1C(F)(F)F ZINC001172303054 1049873935 /nfs/dbraw/zinc/87/39/35/1049873935.db2.gz UUGPBMVCGTUQCN-CYBMUJFWSA-N 1 0 348.368 4.306 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ncccc1Cl)C1CC1 ZINC001172304018 1049873986 /nfs/dbraw/zinc/87/39/86/1049873986.db2.gz GZQVTVMFCPYWPP-ACJLOTCBSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC001172305599 1049874018 /nfs/dbraw/zinc/87/40/18/1049874018.db2.gz FIYOMBSXKDAIGT-QGZVFWFLSA-N 1 0 332.447 4.011 20 30 EIEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172310588 1049874494 /nfs/dbraw/zinc/87/44/94/1049874494.db2.gz GITNBRMFVPZTKT-PGRDOPGGSA-N 1 0 348.490 4.453 20 30 EIEDRO Cc1ccc2c(c1)c1c(n2[C@@H](C)Cc2ccc(C#N)cc2)CC[NH2+]C1 ZINC001172308720 1049874866 /nfs/dbraw/zinc/87/48/66/1049874866.db2.gz ZKGBBNFEGNGBPS-INIZCTEOSA-N 1 0 329.447 4.271 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001172311567 1049875894 /nfs/dbraw/zinc/87/58/94/1049875894.db2.gz UZBFVJKYUAJDBR-KRWDZBQOSA-N 1 0 329.447 4.241 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001172316796 1049876272 /nfs/dbraw/zinc/87/62/72/1049876272.db2.gz XRFFDHIAYDFPAM-LJQANCHMSA-N 1 0 347.506 4.086 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC001172293380 1049881797 /nfs/dbraw/zinc/88/17/97/1049881797.db2.gz WELXRRMRTJLSRS-AWEZNQCLSA-N 1 0 332.369 4.340 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1-c1cccnc1 ZINC001172299193 1049882806 /nfs/dbraw/zinc/88/28/06/1049882806.db2.gz GBGAWQFLKDRKOE-KRWDZBQOSA-N 1 0 327.431 4.341 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC001172298249 1049882979 /nfs/dbraw/zinc/88/29/79/1049882979.db2.gz UVNLHVAMISHBOK-KRWDZBQOSA-N 1 0 327.431 4.341 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1-c1cccnc1 ZINC001172299195 1049883049 /nfs/dbraw/zinc/88/30/49/1049883049.db2.gz GBGAWQFLKDRKOE-QGZVFWFLSA-N 1 0 327.431 4.341 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(OCC2CCC2)c1 ZINC001172297983 1049883095 /nfs/dbraw/zinc/88/30/95/1049883095.db2.gz SMGRKHPAEIQBIW-QGZVFWFLSA-N 1 0 334.463 4.458 20 30 EIEDRO Cc1ccc([C@H]([NH2+]C2CCN(CC#N)CC2)C2CCCCC2)cc1 ZINC000616354048 1049885052 /nfs/dbraw/zinc/88/50/52/1049885052.db2.gz UTLRQDFZHZTKDW-OAQYLSRUSA-N 1 0 325.500 4.194 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001172346206 1049889823 /nfs/dbraw/zinc/88/98/23/1049889823.db2.gz HCGJNNZJTIYUNS-RTBURBONSA-N 1 0 332.532 4.454 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001172354245 1049893225 /nfs/dbraw/zinc/89/32/25/1049893225.db2.gz FTJIZMKPWFMWQO-OALUTQOASA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@H](CC)[NH+]1C[C@H]2CN(C(=O)c3ccco3)C[C@@H]2C1 ZINC001172356513 1049894540 /nfs/dbraw/zinc/89/45/40/1049894540.db2.gz WJGMBKNFPIRYSK-FHWLQOOXSA-N 1 0 346.515 4.423 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccsc21 ZINC001172478854 1049909826 /nfs/dbraw/zinc/90/98/26/1049909826.db2.gz FFHPMFJXUQAPFV-DZGCQCFKSA-N 1 0 349.500 4.212 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H]1COc2c1ccc(Br)c2Cl ZINC001172482115 1049910159 /nfs/dbraw/zinc/91/01/59/1049910159.db2.gz BTNXQGHBJJFQMH-SKDRFNHKSA-N 1 0 343.652 4.208 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001172485948 1049911221 /nfs/dbraw/zinc/91/12/21/1049911221.db2.gz WLYLEHZUDOGLMZ-NVXWUHKLSA-N 1 0 343.471 4.025 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000246130199 1049916284 /nfs/dbraw/zinc/91/62/84/1049916284.db2.gz MHURZZBLFKKMSK-HUUCEWRRSA-N 1 0 345.512 4.140 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC001172490625 1049920690 /nfs/dbraw/zinc/92/06/90/1049920690.db2.gz JGAQMXVDNPAIIR-JXFKEZNVSA-N 1 0 332.451 4.335 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC001172489661 1049920753 /nfs/dbraw/zinc/92/07/53/1049920753.db2.gz XXKGJUVRLJRVET-AWEZNQCLSA-N 1 0 337.870 4.115 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC001172489143 1049920857 /nfs/dbraw/zinc/92/08/57/1049920857.db2.gz ZXHYWMFIYLDMBQ-CQSZACIVSA-N 1 0 340.389 4.383 20 30 EIEDRO CCC[N@H+]([C@H](C)CCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172497820 1049921449 /nfs/dbraw/zinc/92/14/49/1049921449.db2.gz GNAXADRMZIGWGU-MRXNPFEDSA-N 1 0 337.508 4.180 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001172500028 1049923062 /nfs/dbraw/zinc/92/30/62/1049923062.db2.gz IRYHDLPCLQGWDI-CYBMUJFWSA-N 1 0 326.271 4.198 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+]C1CCN(C(=O)NCC)CC1 ZINC001172502180 1049923296 /nfs/dbraw/zinc/92/32/96/1049923296.db2.gz OPWOWFWXTRAPKS-KRWDZBQOSA-N 1 0 325.541 4.299 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC001172501836 1049923396 /nfs/dbraw/zinc/92/33/96/1049923396.db2.gz KZSMLNSJELHFLW-GOSISDBHSA-N 1 0 331.566 4.320 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC001172501119 1049923476 /nfs/dbraw/zinc/92/34/76/1049923476.db2.gz AEAYZSMSGFGAIX-QZTJIDSGSA-N 1 0 327.509 4.073 20 30 EIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001172510464 1049925253 /nfs/dbraw/zinc/92/52/53/1049925253.db2.gz CJRWBDAXBBSQCL-MKXGPGLRSA-N 1 0 339.520 4.168 20 30 EIEDRO C[C@@H](CCCC#N)[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001172509365 1049925682 /nfs/dbraw/zinc/92/56/82/1049925682.db2.gz KKUIIOGPTREFKT-DLBZAZTESA-N 1 0 349.519 4.180 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH+]1CC([C@H](N)C(=O)OC(C)(C)C)C1 ZINC001172508247 1049926166 /nfs/dbraw/zinc/92/61/66/1049926166.db2.gz HYKXOAOGOCVWMK-ROUUACIJSA-N 1 0 340.552 4.116 20 30 EIEDRO CCCCCCC[C@H](CCC)[N@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001172511457 1049927021 /nfs/dbraw/zinc/92/70/21/1049927021.db2.gz REIKKJGKBAPAJW-OALUTQOASA-N 1 0 335.536 4.491 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCN(CCC(C)(C)O)CC1 ZINC001172512121 1049927182 /nfs/dbraw/zinc/92/71/82/1049927182.db2.gz ZIAWSOHYQIDXGG-LJQANCHMSA-N 1 0 326.569 4.294 20 30 EIEDRO C=CCCC1(CNC(=O)c2cccc(Cn3ccnc3)c2)CCCC1 ZINC000617416611 1049989638 /nfs/dbraw/zinc/98/96/38/1049989638.db2.gz YJXIIDLYBVFREO-UHFFFAOYSA-N 1 0 337.467 4.188 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000181321714 1050096782 /nfs/dbraw/zinc/09/67/82/1050096782.db2.gz DAFZNFNMJPBQPP-KRWDZBQOSA-N 1 0 343.430 4.350 20 30 EIEDRO CCN(CCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181419435 1050120675 /nfs/dbraw/zinc/12/06/75/1050120675.db2.gz QHFFWLSCADSQMJ-SFHVURJKSA-N 1 0 337.467 4.156 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)C1CC1 ZINC000089510441 1050120715 /nfs/dbraw/zinc/12/07/15/1050120715.db2.gz WBJYJSBCQRNEQZ-FQEVSTJZSA-N 1 0 326.484 4.147 20 30 EIEDRO COC(=O)[C@@H]1CCC[C@@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001172793708 1050157897 /nfs/dbraw/zinc/15/78/97/1050157897.db2.gz BSYKNOXABCFPCO-SJLPKXTDSA-N 1 0 348.874 4.178 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3ncc(C#N)cc3Cl)cc2)CC1 ZINC001212687572 1050190340 /nfs/dbraw/zinc/19/03/40/1050190340.db2.gz AFZBKUQSNQTNIW-UHFFFAOYSA-N 1 0 326.831 4.159 20 30 EIEDRO CCC[C@@H]1CN(c2cc(F)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001185931297 1050197545 /nfs/dbraw/zinc/19/75/45/1050197545.db2.gz TWGJKBLSBJXXEP-HXUWFJFHSA-N 1 0 337.442 4.188 20 30 EIEDRO CC(C)([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(C#N)cc1 ZINC001172899763 1050203291 /nfs/dbraw/zinc/20/32/91/1050203291.db2.gz PGKGYMZPURWGJN-IBGZPJMESA-N 1 0 349.434 4.239 20 30 EIEDRO C[C@@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172875736 1050216511 /nfs/dbraw/zinc/21/65/11/1050216511.db2.gz AYOQQYOQDGPWQO-XHDPSFHLSA-N 1 0 339.913 4.095 20 30 EIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCOc1ccccc1C#N ZINC001172879058 1050219828 /nfs/dbraw/zinc/21/98/28/1050219828.db2.gz LNSRTXSSICCRQM-AWEZNQCLSA-N 1 0 346.883 4.361 20 30 EIEDRO N#Cc1cccnc1NCC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001177506519 1050232002 /nfs/dbraw/zinc/23/20/02/1050232002.db2.gz PBGYEQRWTLKZOB-QUCCMNQESA-N 1 0 334.467 4.071 20 30 EIEDRO CC(=O)c1ccc(Nc2ccc(C3CC[NH+](C)CC3)cc2)c(C#N)c1 ZINC001212691294 1050240982 /nfs/dbraw/zinc/24/09/82/1050240982.db2.gz JHWNIRPYEYYXOR-UHFFFAOYSA-N 1 0 333.435 4.314 20 30 EIEDRO CC(C)(C)CC(C)(C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972633 1050249053 /nfs/dbraw/zinc/24/90/53/1050249053.db2.gz BGRAYYUPLMIBHM-CABCVRRESA-N 1 0 337.508 4.082 20 30 EIEDRO CCCCCC[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172975994 1050250247 /nfs/dbraw/zinc/25/02/47/1050250247.db2.gz KPRYCPBUUMFJEJ-ULQDDVLXSA-N 1 0 337.508 4.227 20 30 EIEDRO CCCCCC(C)(C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976433 1050250282 /nfs/dbraw/zinc/25/02/82/1050250282.db2.gz PJFZLPSNJGCWSI-HOTGVXAUSA-N 1 0 337.508 4.227 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC001177548714 1050250806 /nfs/dbraw/zinc/25/08/06/1050250806.db2.gz PCHWMZRDZUAMPF-GOSISDBHSA-N 1 0 348.368 4.017 20 30 EIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC001177566346 1050256375 /nfs/dbraw/zinc/25/63/75/1050256375.db2.gz SRHBASLUKQPZQJ-YVWKXTFCSA-N 1 0 327.516 4.422 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173043627 1050270337 /nfs/dbraw/zinc/27/03/37/1050270337.db2.gz PPGFPFMDSZKVCA-UHFFFAOYSA-N 1 0 338.495 4.283 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001173089498 1050280339 /nfs/dbraw/zinc/28/03/39/1050280339.db2.gz XGKAJBOURPERDJ-HIFRSBDPSA-N 1 0 326.362 4.142 20 30 EIEDRO Cc1cc(F)c(C#N)c(N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC001186380794 1050316329 /nfs/dbraw/zinc/31/63/29/1050316329.db2.gz NAWJUDBHKZIAHY-QRWLVFNGSA-N 1 0 325.431 4.418 20 30 EIEDRO C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1cccc(C#N)c1 ZINC000181803063 1050336113 /nfs/dbraw/zinc/33/61/13/1050336113.db2.gz RVJIDGFVKZGNJS-NSHDSACASA-N 1 0 335.238 4.023 20 30 EIEDRO COc1ccc([C@H](C)CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181813280 1050342455 /nfs/dbraw/zinc/34/24/55/1050342455.db2.gz DWGMQPJUSACFAU-SJORKVTESA-N 1 0 338.451 4.442 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cccc(C(F)(F)F)c2F)CC1 ZINC001173311544 1050404156 /nfs/dbraw/zinc/40/41/56/1050404156.db2.gz LYJGFEIHDWPRFI-UHFFFAOYSA-N 1 0 331.353 4.448 20 30 EIEDRO CCCCCCCCC[C@@H](CCC)[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001173284976 1050413170 /nfs/dbraw/zinc/41/31/70/1050413170.db2.gz MVEKNOMDHIKVLD-GOSISDBHSA-N 1 0 337.552 4.443 20 30 EIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]CC1(C(N)=O)CCOCC1 ZINC001173285621 1050413659 /nfs/dbraw/zinc/41/36/59/1050413659.db2.gz YTTLUAXOEIGHRK-GOSISDBHSA-N 1 0 340.552 4.168 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001173322224 1050414504 /nfs/dbraw/zinc/41/45/04/1050414504.db2.gz ZCIPDSMAIYQBLE-QETWGEEDSA-N 1 0 336.479 4.407 20 30 EIEDRO C=CCOC1CCC([N@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001173323530 1050417596 /nfs/dbraw/zinc/41/75/96/1050417596.db2.gz ANNOKOBFUYAEQD-UHFFFAOYSA-N 1 0 329.484 4.181 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC3(CC(=O)c4ccccc43)CC2)CC1 ZINC001173325951 1050417622 /nfs/dbraw/zinc/41/76/22/1050417622.db2.gz UNWTUFVFEKWQMX-UHFFFAOYSA-N 1 0 339.479 4.120 20 30 EIEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173324875 1050418063 /nfs/dbraw/zinc/41/80/63/1050418063.db2.gz WVGORHKHWYZUGC-AQEOSJORSA-N 1 0 349.519 4.084 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC001173328896 1050420110 /nfs/dbraw/zinc/42/01/10/1050420110.db2.gz RWEWKUGQPRXVGR-MWHAMWOXSA-N 1 0 333.273 4.498 20 30 EIEDRO N#CCC1CCC([NH2+]CC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001173330596 1050420264 /nfs/dbraw/zinc/42/02/64/1050420264.db2.gz TVPGLJPOMGDMCZ-UHFFFAOYSA-N 1 0 325.239 4.238 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173332118 1050422103 /nfs/dbraw/zinc/42/21/03/1050422103.db2.gz WQFZMEOXTKKQFW-UHFFFAOYSA-N 1 0 331.891 4.243 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ccc(OCC3CCOCC3)cc2)CC1 ZINC001173331509 1050422344 /nfs/dbraw/zinc/42/23/44/1050422344.db2.gz CJCPGGQKGZWOGV-UHFFFAOYSA-N 1 0 342.483 4.054 20 30 EIEDRO N#CCC1CCC(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001173335989 1050425207 /nfs/dbraw/zinc/42/52/07/1050425207.db2.gz JGHWKGCCTNBCKD-MOUZIVPDSA-N 1 0 337.511 4.055 20 30 EIEDRO Cc1cc(F)ccc1CN1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173334451 1050425499 /nfs/dbraw/zinc/42/54/99/1050425499.db2.gz RZJSSDKDIXJNNL-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO COC(=O)[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)[C@H](c2ccccc2)C1 ZINC001173336748 1050425852 /nfs/dbraw/zinc/42/58/52/1050425852.db2.gz KEUXMBTXKPJPPQ-MLFFRYNPSA-N 1 0 340.467 4.085 20 30 EIEDRO COCCC1(C[NH2+]C2CCC(CC#N)CC2)CCC(F)(F)CC1 ZINC001173334353 1050426134 /nfs/dbraw/zinc/42/61/34/1050426134.db2.gz VTQUEUQOFGTYFQ-UHFFFAOYSA-N 1 0 328.447 4.281 20 30 EIEDRO C[C@@]1(c2ccc(Cl)cc2)C[N@@H+](C2CCC(CC#N)CC2)CCO1 ZINC001173337519 1050427180 /nfs/dbraw/zinc/42/71/80/1050427180.db2.gz MZXRJZFYOHCCJM-PPSBMQLTSA-N 1 0 332.875 4.360 20 30 EIEDRO CC[N@H+](C1CCC(CC#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001173339818 1050428291 /nfs/dbraw/zinc/42/82/91/1050428291.db2.gz VDVBDXYGSWIBOU-UHFFFAOYSA-N 1 0 349.519 4.180 20 30 EIEDRO N#CCC1CCC([NH+]2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001173339551 1050428431 /nfs/dbraw/zinc/42/84/31/1050428431.db2.gz ONETZNUIFUTYHW-UHFFFAOYSA-N 1 0 325.431 4.155 20 30 EIEDRO CC[N@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337322 1050428643 /nfs/dbraw/zinc/42/86/43/1050428643.db2.gz HKHBYCIERSISRX-DQVLVPHSSA-N 1 0 325.500 4.055 20 30 EIEDRO N#CCC1CCC([NH+]2CCC(Oc3ccc(F)cc3F)CC2)CC1 ZINC001173340055 1050429736 /nfs/dbraw/zinc/42/97/36/1050429736.db2.gz YGVGWKBKHQZBIS-UHFFFAOYSA-N 1 0 334.410 4.280 20 30 EIEDRO CCC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173340846 1050430398 /nfs/dbraw/zinc/43/03/98/1050430398.db2.gz MODZCENETTZVIV-ABHNRTSZSA-N 1 0 349.519 4.180 20 30 EIEDRO CCCOc1cccc(CC[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182041110 1050434158 /nfs/dbraw/zinc/43/41/58/1050434158.db2.gz RNIGPNNAVCTZPD-QGZVFWFLSA-N 1 0 338.451 4.271 20 30 EIEDRO C=CCOC1CCC([NH2+]C2(C)CCN(Cc3ccccc3)CC2)CC1 ZINC001173317096 1050438697 /nfs/dbraw/zinc/43/86/97/1050438697.db2.gz AOWXMUZWPPSPLE-UHFFFAOYSA-N 1 0 342.527 4.145 20 30 EIEDRO C=CCOC1CCC([NH2+][C@@H](CCO)c2cccc3ccccc32)CC1 ZINC001173314167 1050439835 /nfs/dbraw/zinc/43/98/35/1050439835.db2.gz KZIAUMFQLCQYSR-AJTFCVKESA-N 1 0 339.479 4.367 20 30 EIEDRO CCCCCC(C)(C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173425916 1050455294 /nfs/dbraw/zinc/45/52/94/1050455294.db2.gz KLVCHCPYNAXMNN-UHFFFAOYSA-N 1 0 341.499 4.111 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000324909598 1050471190 /nfs/dbraw/zinc/47/11/90/1050471190.db2.gz XBCKJTNXLCPFJU-AWEZNQCLSA-N 1 0 331.362 4.151 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000092897227 1050485459 /nfs/dbraw/zinc/48/54/59/1050485459.db2.gz CINPZFBRXSKVKB-INIZCTEOSA-N 1 0 348.918 4.065 20 30 EIEDRO COc1ccc(-c2nc(C[NH2+]C3CCC(C)(C#N)CC3)cs2)cc1 ZINC001173586052 1050492765 /nfs/dbraw/zinc/49/27/65/1050492765.db2.gz FUAJJNMOKLARFY-UHFFFAOYSA-N 1 0 341.480 4.381 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001173588761 1050495603 /nfs/dbraw/zinc/49/56/03/1050495603.db2.gz RNYUCCXMABVMQE-PCKAHOCUSA-N 1 0 327.255 4.089 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2ccsc2Br)CC1 ZINC001173592736 1050496440 /nfs/dbraw/zinc/49/64/40/1050496440.db2.gz ANVYNSBISRNYKX-UHFFFAOYSA-N 1 0 327.291 4.115 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001173592540 1050497612 /nfs/dbraw/zinc/49/76/12/1050497612.db2.gz SMRAYYVDAUDFSY-UHFFFAOYSA-N 1 0 328.431 4.193 20 30 EIEDRO Cc1cc2ccccc2nc1N1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173598550 1050498795 /nfs/dbraw/zinc/49/87/95/1050498795.db2.gz QQTXUKQWBOYHQW-UHFFFAOYSA-N 1 0 348.494 4.138 20 30 EIEDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CCC(C)(C#N)CC1 ZINC001173597470 1050499030 /nfs/dbraw/zinc/49/90/30/1050499030.db2.gz VDBOBVKOTYDQTR-UHFFFAOYSA-N 1 0 326.362 4.489 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc(Cl)c1OC ZINC000618743114 1050503461 /nfs/dbraw/zinc/50/34/61/1050503461.db2.gz XDPUGMKPRSRTFJ-KRWDZBQOSA-N 1 0 342.826 4.006 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)ccc1OC(C)C ZINC000618742136 1050503980 /nfs/dbraw/zinc/50/39/80/1050503980.db2.gz JZRRHNZADFCPJF-IBGZPJMESA-N 1 0 336.435 4.131 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000618802754 1050519456 /nfs/dbraw/zinc/51/94/56/1050519456.db2.gz FPWCDPSCXDGGLT-IFXJQAMLSA-N 1 0 334.419 4.058 20 30 EIEDRO C=C1CC=C(F)C=C1NC1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173680302 1050526897 /nfs/dbraw/zinc/52/68/97/1050526897.db2.gz PLAOONOKCDQDJH-ZIAGYGMSSA-N 1 0 336.451 4.450 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000618805102 1050532877 /nfs/dbraw/zinc/53/28/77/1050532877.db2.gz CXTYONXIIPFDST-BFUOFWGJSA-N 1 0 345.446 4.126 20 30 EIEDRO COc1cc(F)c([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618806934 1050535305 /nfs/dbraw/zinc/53/53/05/1050535305.db2.gz SLCRKOBQBVATDD-XIKOKIGWSA-N 1 0 340.398 4.053 20 30 EIEDRO COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618806925 1050537433 /nfs/dbraw/zinc/53/74/33/1050537433.db2.gz SLCRKOBQBVATDD-KZULUSFZSA-N 1 0 340.398 4.053 20 30 EIEDRO N#CC1(C[NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173708603 1050550268 /nfs/dbraw/zinc/55/02/68/1050550268.db2.gz SIAGTKDSVFFWPA-HXUWFJFHSA-N 1 0 332.447 4.016 20 30 EIEDRO C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001178730117 1050550903 /nfs/dbraw/zinc/55/09/03/1050550903.db2.gz NCHXFIIACRBHIQ-CSODHUTKSA-N 1 0 347.462 4.020 20 30 EIEDRO C[C@]1(C#N)CC[N@@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711583 1050553807 /nfs/dbraw/zinc/55/38/07/1050553807.db2.gz FLLINOLJTJIUBX-JTHBVZDNSA-N 1 0 346.474 4.358 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)cc1 ZINC001173778758 1050568366 /nfs/dbraw/zinc/56/83/66/1050568366.db2.gz CBCCBJOUBPDTPB-UHFFFAOYSA-N 1 0 348.446 4.300 20 30 EIEDRO Cc1cc(C[NH2+]CCCCCCNC(=O)OC(C)(C)C)ccc1C#N ZINC001179006247 1050610690 /nfs/dbraw/zinc/61/06/90/1050610690.db2.gz FSVKTYOGAKXIIW-UHFFFAOYSA-N 1 0 345.487 4.041 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1Cl ZINC001179044689 1050615971 /nfs/dbraw/zinc/61/59/71/1050615971.db2.gz NFJGNHNDYTUNHM-ROUUACIJSA-N 1 0 334.891 4.011 20 30 EIEDRO CC[C@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC001179053389 1050618402 /nfs/dbraw/zinc/61/84/02/1050618402.db2.gz KYWBGISAAWRCPR-AZUAARDMSA-N 1 0 339.527 4.329 20 30 EIEDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618988312 1050621304 /nfs/dbraw/zinc/62/13/04/1050621304.db2.gz PILCPRGIAALSPN-PMACEKPBSA-N 1 0 347.418 4.466 20 30 EIEDRO COc1cccc2c1CCC[C@@H]([NH2+]C1(c3ccc(C#N)cc3)CCC1)C2 ZINC001179034514 1050622766 /nfs/dbraw/zinc/62/27/66/1050622766.db2.gz JJQSRVIFSLQTHP-HXUWFJFHSA-N 1 0 346.474 4.483 20 30 EIEDRO CSc1ccc(C[NH2+]Cc2cc(C)ccc2OC(F)F)cc1C#N ZINC001203672166 1050657188 /nfs/dbraw/zinc/65/71/88/1050657188.db2.gz BHDPWSKVPBGMBF-UHFFFAOYSA-N 1 0 348.418 4.480 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC001179253362 1050659764 /nfs/dbraw/zinc/65/97/64/1050659764.db2.gz POPMDTDIEZJAFX-UXHICEINSA-N 1 0 327.855 4.169 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CC2(C(F)(F)F)CCCC2)cc1 ZINC001179291255 1050664794 /nfs/dbraw/zinc/66/47/94/1050664794.db2.gz LREZNTWXKSPZPN-UHFFFAOYSA-N 1 0 325.374 4.301 20 30 EIEDRO CC[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC001179304791 1050667068 /nfs/dbraw/zinc/66/70/68/1050667068.db2.gz TXCJDOWVHMNWLW-QZTJIDSGSA-N 1 0 325.500 4.333 20 30 EIEDRO COc1cc(C#N)ccc1OCc1cccc(C[NH+]2CCCCC2)c1 ZINC001187995954 1050667949 /nfs/dbraw/zinc/66/79/49/1050667949.db2.gz ZTHQSRHNWRXMQK-UHFFFAOYSA-N 1 0 336.435 4.132 20 30 EIEDRO CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC#N ZINC001273552198 1050669720 /nfs/dbraw/zinc/66/97/20/1050669720.db2.gz SDKPFKXVNPNYDE-QBUWPKIASA-N 1 0 333.520 4.008 20 30 EIEDRO C[C@H](CC#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001179479970 1050704900 /nfs/dbraw/zinc/70/49/00/1050704900.db2.gz YXXJHDIJDOAIQO-BPQIPLTHSA-N 1 0 343.471 4.019 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000775163894 1050778211 /nfs/dbraw/zinc/77/82/11/1050778211.db2.gz UQNYYMRYTJUMIK-HNNXBMFYSA-N 1 0 329.403 4.001 20 30 EIEDRO CC[NH+](CC)CC[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC001179806026 1050784213 /nfs/dbraw/zinc/78/42/13/1050784213.db2.gz YUUTVMFCYOMXAN-OAQYLSRUSA-N 1 0 339.458 4.260 20 30 EIEDRO CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508616 1050797347 /nfs/dbraw/zinc/79/73/47/1050797347.db2.gz PGPWIOOSJWHAQR-FGZHOGPDSA-N 1 0 331.463 4.102 20 30 EIEDRO Cc1ccccc1-n1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC001179913660 1050831960 /nfs/dbraw/zinc/83/19/60/1050831960.db2.gz CIPFZPVGRXSBSG-UHFFFAOYSA-N 1 0 344.462 4.463 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000619672159 1050851921 /nfs/dbraw/zinc/85/19/21/1050851921.db2.gz VNACSZCONKPPNI-ZIQFBCGOSA-N 1 0 328.300 4.178 20 30 EIEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755464 1050882994 /nfs/dbraw/zinc/88/29/94/1050882994.db2.gz YEHPWWYOPOPEGB-CYBMUJFWSA-N 1 0 342.826 4.051 20 30 EIEDRO N#Cc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000619754731 1050883006 /nfs/dbraw/zinc/88/30/06/1050883006.db2.gz JDNHOFXARJLOAZ-UHFFFAOYSA-N 1 0 331.891 4.098 20 30 EIEDRO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619754815 1050883048 /nfs/dbraw/zinc/88/30/48/1050883048.db2.gz LFAIFTWQKJHGST-LBPRGKRZSA-N 1 0 327.815 4.021 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755884 1050885377 /nfs/dbraw/zinc/88/53/77/1050885377.db2.gz XLOWKFXNPPUHAU-QRWLVFNGSA-N 1 0 345.918 4.344 20 30 EIEDRO C#Cc1cccc(NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)c1 ZINC000182952011 1050903239 /nfs/dbraw/zinc/90/32/39/1050903239.db2.gz STTZNPUWRDMKNF-UHFFFAOYSA-N 1 0 341.499 4.034 20 30 EIEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000619822011 1050921245 /nfs/dbraw/zinc/92/12/45/1050921245.db2.gz CFJAJVDWZGULII-RVHYNSKXSA-N 1 0 348.446 4.391 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)c(C)s1 ZINC000182987428 1050929689 /nfs/dbraw/zinc/92/96/89/1050929689.db2.gz GGIASRVHDBNZBN-NSHDSACASA-N 1 0 347.871 4.179 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001189278206 1050944041 /nfs/dbraw/zinc/94/40/41/1050944041.db2.gz MZGUIBXZLBSKNS-OALUTQOASA-N 1 0 343.515 4.127 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001189278208 1050944540 /nfs/dbraw/zinc/94/45/40/1050944540.db2.gz MZGUIBXZLBSKNS-RTBURBONSA-N 1 0 343.515 4.127 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NC2CC[NH+](CCC)CC2)c1 ZINC001189274996 1050956586 /nfs/dbraw/zinc/95/65/86/1050956586.db2.gz PKEHRWFGOSCPKA-UHFFFAOYSA-N 1 0 343.515 4.128 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccc2c(c1)OCCCCO2 ZINC001180331038 1050970300 /nfs/dbraw/zinc/97/03/00/1050970300.db2.gz BKUJKVIVUZMSCH-UHFFFAOYSA-N 1 0 327.424 4.062 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620193466 1051057725 /nfs/dbraw/zinc/05/77/25/1051057725.db2.gz HSDXSBXTHINPTE-TZIWHRDSSA-N 1 0 340.511 4.007 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620193524 1051057905 /nfs/dbraw/zinc/05/79/05/1051057905.db2.gz IXKXDGTWWIVYQY-AZUAARDMSA-N 1 0 340.511 4.007 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(OCC)cc1O)c1ccc(F)c(F)c1 ZINC000775318366 1051059679 /nfs/dbraw/zinc/05/96/79/1051059679.db2.gz GGDZNHPFUCWEFF-LJQANCHMSA-N 1 0 333.378 4.476 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC001174573567 1051060082 /nfs/dbraw/zinc/06/00/82/1051060082.db2.gz FUDFHJWBXVYPJH-RBUKOAKNSA-N 1 0 326.484 4.391 20 30 EIEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccc(-c2ccccc2)cc1 ZINC001180941336 1051116425 /nfs/dbraw/zinc/11/64/25/1051116425.db2.gz DXYYNLSPOXCEGD-QFIPXVFZSA-N 1 0 348.490 4.053 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](OC)c1ccc(F)cc1 ZINC001190347525 1051160141 /nfs/dbraw/zinc/16/01/41/1051160141.db2.gz CUWWZKWNBBYGED-HXUWFJFHSA-N 1 0 326.415 4.297 20 30 EIEDRO CCCCCCCCCC[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC001174779974 1051173239 /nfs/dbraw/zinc/17/32/39/1051173239.db2.gz LOHIZZKWTHAWPU-IBGZPJMESA-N 1 0 337.529 4.386 20 30 EIEDRO C[NH+]1CCN(c2ccc(Nc3cccc4c(C#N)cccc34)cc2)CC1 ZINC001174815586 1051183286 /nfs/dbraw/zinc/18/32/86/1051183286.db2.gz QDTBGLIIHVXOQT-UHFFFAOYSA-N 1 0 342.446 4.207 20 30 EIEDRO C=CCC[C@@H](O)C[NH+]1CCC(c2c[nH]c3c2cccc3CC)CC1 ZINC001190466324 1051194409 /nfs/dbraw/zinc/19/44/09/1051194409.db2.gz VPGMBUBVMKBEQI-GOSISDBHSA-N 1 0 326.484 4.237 20 30 EIEDRO Cn1c(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc2ccccc21 ZINC001181410880 1051215758 /nfs/dbraw/zinc/21/57/58/1051215758.db2.gz SHXMHMZRQOGDRR-UHFFFAOYSA-N 1 0 345.446 4.093 20 30 EIEDRO CC(C)C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC001190615424 1051221418 /nfs/dbraw/zinc/22/14/18/1051221418.db2.gz BTFSHRFVLDPLAP-UHFFFAOYSA-N 1 0 330.472 4.138 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(Br)nc1 ZINC001181409419 1051226783 /nfs/dbraw/zinc/22/67/83/1051226783.db2.gz CXDMVZXUFOZTNU-UHFFFAOYSA-N 1 0 331.257 4.422 20 30 EIEDRO C=C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000153861431 1051238979 /nfs/dbraw/zinc/23/89/79/1051238979.db2.gz ZWAHHOWGJSUHEO-RTBURBONSA-N 1 0 328.500 4.117 20 30 EIEDRO COCC[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001190635281 1051241123 /nfs/dbraw/zinc/24/11/23/1051241123.db2.gz HHXYYNKLEYNTFM-HNNXBMFYSA-N 1 0 328.843 4.421 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1nc2cc(Cl)ccc2n1C ZINC001190706866 1051250876 /nfs/dbraw/zinc/25/08/76/1051250876.db2.gz CMUDTHFMDWQKOO-UHFFFAOYSA-N 1 0 339.870 4.457 20 30 EIEDRO CC[N@H+](CCOc1ccccc1OC)Cc1c(C)cc(C#N)cc1C ZINC001174923668 1051253015 /nfs/dbraw/zinc/25/30/15/1051253015.db2.gz CQVMAMVIVKYVAB-UHFFFAOYSA-N 1 0 338.451 4.085 20 30 EIEDRO C[C@@H]1CCC[C@@H]([N@H+](CCCC#N)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001190683492 1051255368 /nfs/dbraw/zinc/25/53/68/1051255368.db2.gz WPJFHMMPPMDFAL-SOLBZPMBSA-N 1 0 328.456 4.346 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC#N)cc1 ZINC000775407951 1051262474 /nfs/dbraw/zinc/26/24/74/1051262474.db2.gz RMOLVWJKPGIIMV-QVKFZJNVSA-N 1 0 331.419 4.189 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC001190828519 1051286960 /nfs/dbraw/zinc/28/69/60/1051286960.db2.gz WCQWWARWFMEJEO-KRWDZBQOSA-N 1 0 345.918 4.300 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000775415218 1051287920 /nfs/dbraw/zinc/28/79/20/1051287920.db2.gz LTQYROGJMWWNQZ-RTWAWAEBSA-N 1 0 332.447 4.039 20 30 EIEDRO C#C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC001181697303 1051290973 /nfs/dbraw/zinc/29/09/73/1051290973.db2.gz HQLNVJXKTGGYGX-QRWLVFNGSA-N 1 0 342.845 4.270 20 30 EIEDRO CCC[N@H+](CC1CCC(C#N)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001190895231 1051300747 /nfs/dbraw/zinc/30/07/47/1051300747.db2.gz QABODSWTQMBZRY-ABHNRTSZSA-N 1 0 349.519 4.038 20 30 EIEDRO CC(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001191021455 1051328833 /nfs/dbraw/zinc/32/88/33/1051328833.db2.gz GQGRABUHZWWVCE-HNNXBMFYSA-N 1 0 347.890 4.298 20 30 EIEDRO CC(C)([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC001175045492 1051336347 /nfs/dbraw/zinc/33/63/47/1051336347.db2.gz RFVUURCVNJASGJ-NRFANRHFSA-N 1 0 330.431 4.270 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1 ZINC001181919380 1051353139 /nfs/dbraw/zinc/35/31/39/1051353139.db2.gz CKTWJOBKSMTGTH-NHCUHLMSSA-N 1 0 335.447 4.034 20 30 EIEDRO CCCCCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001191112936 1051353790 /nfs/dbraw/zinc/35/37/90/1051353790.db2.gz PFRASAZNEUCECI-AZUAARDMSA-N 1 0 345.531 4.309 20 30 EIEDRO C#Cc1ccccc1C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 ZINC001191119457 1051355804 /nfs/dbraw/zinc/35/58/04/1051355804.db2.gz CYHILAJQUSJAJS-UHFFFAOYSA-N 1 0 343.430 4.288 20 30 EIEDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001191122403 1051358121 /nfs/dbraw/zinc/35/81/21/1051358121.db2.gz QCRITJYCDNYNEZ-LJQANCHMSA-N 1 0 341.499 4.205 20 30 EIEDRO CCCCCCCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001191089266 1051362987 /nfs/dbraw/zinc/36/29/87/1051362987.db2.gz WOXHQUPOTQIGRA-UHFFFAOYSA-N 1 0 345.531 4.263 20 30 EIEDRO CC#CCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000155088036 1051377186 /nfs/dbraw/zinc/37/71/86/1051377186.db2.gz HDKJSLYUAOKZEI-AWEZNQCLSA-N 1 0 340.389 4.158 20 30 EIEDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC001182217047 1051435097 /nfs/dbraw/zinc/43/50/97/1051435097.db2.gz YYUOFVIHLFIKIV-DENIHFKCSA-N 1 0 332.447 4.132 20 30 EIEDRO CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC001191426597 1051454797 /nfs/dbraw/zinc/45/47/97/1051454797.db2.gz HTUBCPABRXBMQP-HXUWFJFHSA-N 1 0 325.500 4.057 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC001191436821 1051458104 /nfs/dbraw/zinc/45/81/04/1051458104.db2.gz QDSVKZILIVEGQR-GOSISDBHSA-N 1 0 345.364 4.254 20 30 EIEDRO N#C[C@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001191520517 1051472085 /nfs/dbraw/zinc/47/20/85/1051472085.db2.gz HTOOGRNCFLTXDB-DNVJHFABSA-N 1 0 345.490 4.238 20 30 EIEDRO N#C[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001191520524 1051472990 /nfs/dbraw/zinc/47/29/90/1051472990.db2.gz HTOOGRNCFLTXDB-YTFSRNRJSA-N 1 0 345.490 4.238 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000774149492 1051483157 /nfs/dbraw/zinc/48/31/57/1051483157.db2.gz XATTZLSBVWJXCA-MSOLQXFVSA-N 1 0 348.368 4.351 20 30 EIEDRO CO[C@@H]1CC[C@H](C)[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001175301313 1051484164 /nfs/dbraw/zinc/48/41/64/1051484164.db2.gz QWNWHFFWFMCOKD-SIKLNZKXSA-N 1 0 348.490 4.386 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)[C@H](O)c1c(F)cccc1F ZINC000774255012 1051526319 /nfs/dbraw/zinc/52/63/19/1051526319.db2.gz AJZKEMCBOJDTRJ-NSHGMRRFSA-N 1 0 344.405 4.389 20 30 EIEDRO CC(C)(C)n1ncc(C#N)c1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175361076 1051551193 /nfs/dbraw/zinc/55/11/93/1051551193.db2.gz DJTQBVNKHDVCEP-UHFFFAOYSA-N 1 0 337.471 4.239 20 30 EIEDRO N#Cc1cn(-c2ccc(C[NH+]3CCCCC3)cc2)c2ccc(N)cc12 ZINC001175363286 1051553189 /nfs/dbraw/zinc/55/31/89/1051553189.db2.gz BLWXBPNGVXHSGD-UHFFFAOYSA-N 1 0 330.435 4.070 20 30 EIEDRO C=CCCC[NH+]1CCC([C@@H](CC(=O)OCC)c2ccccc2)CC1 ZINC001191937583 1051587989 /nfs/dbraw/zinc/58/79/89/1051587989.db2.gz CPGFMCMCMZXRRD-FQEVSTJZSA-N 1 0 329.484 4.402 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(Cl)c(N)c(Cl)c1 ZINC000774461748 1051600200 /nfs/dbraw/zinc/60/02/00/1051600200.db2.gz PSAQUNCKQHMBOL-VIFPVBQESA-N 1 0 338.213 4.437 20 30 EIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC001182545017 1051636668 /nfs/dbraw/zinc/63/66/68/1051636668.db2.gz UBAJXKUZOYRQGQ-CYBMUJFWSA-N 1 0 332.419 4.324 20 30 EIEDRO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001192213412 1051658337 /nfs/dbraw/zinc/65/83/37/1051658337.db2.gz IZMKJTOCYDVQQD-IBGZPJMESA-N 1 0 349.434 4.454 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001182665463 1051662716 /nfs/dbraw/zinc/66/27/16/1051662716.db2.gz GENXSYBVRYJUIN-ZTFGCOKTSA-N 1 0 342.483 4.475 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2Cl)C1 ZINC001182806629 1051715401 /nfs/dbraw/zinc/71/54/01/1051715401.db2.gz WLFIRKQFSPVWKE-INIZCTEOSA-N 1 0 329.875 4.373 20 30 EIEDRO COc1cccc(CC[NH+]2CCCC2)c1Nc1cc(F)cc(C#N)c1 ZINC001175685358 1051729481 /nfs/dbraw/zinc/72/94/81/1051729481.db2.gz QWMLIYAKDIBYOD-UHFFFAOYSA-N 1 0 339.414 4.088 20 30 EIEDRO CCSc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(C#N)c2)cc1 ZINC001192556402 1051755480 /nfs/dbraw/zinc/75/54/80/1051755480.db2.gz CJAHVPUSAHOZKA-KUHUBIRLSA-N 1 0 326.465 4.054 20 30 EIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001192614929 1051777802 /nfs/dbraw/zinc/77/78/02/1051777802.db2.gz DMRRRRYHXZSUTI-UOWJPWOOSA-N 1 0 340.854 4.232 20 30 EIEDRO C=CCC[C@@H](O)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC001192635533 1051784771 /nfs/dbraw/zinc/78/47/71/1051784771.db2.gz OIYWOEOIIIOMFV-QGZVFWFLSA-N 1 0 327.390 4.212 20 30 EIEDRO N#Cc1cccc(OCCC[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC001192690199 1051792060 /nfs/dbraw/zinc/79/20/60/1051792060.db2.gz PVUFWCRRWJBQPL-UHFFFAOYSA-N 1 0 326.827 4.259 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001192881066 1051833571 /nfs/dbraw/zinc/83/35/71/1051833571.db2.gz NQGVNHIREOEOPT-KRWDZBQOSA-N 1 0 327.359 4.155 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)Nc1cc(C)nn1-c1cc[nH+]cc1 ZINC001192920394 1051833581 /nfs/dbraw/zinc/83/35/81/1051833581.db2.gz AUDHAMSFBQABFD-HNNXBMFYSA-N 1 0 343.475 4.446 20 30 EIEDRO C=CC[C@H]1CC[C@@H](Nc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC001183463716 1051846952 /nfs/dbraw/zinc/84/69/52/1051846952.db2.gz JKJOQCQXORPGLQ-DLBZAZTESA-N 1 0 331.479 4.124 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000775578349 1051872723 /nfs/dbraw/zinc/87/27/23/1051872723.db2.gz VYTIWHNDGQWEDZ-BFUOFWGJSA-N 1 0 346.833 4.467 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c(F)c1 ZINC001183865237 1051917660 /nfs/dbraw/zinc/91/76/60/1051917660.db2.gz RZCJEZMAEPCHME-HNNXBMFYSA-N 1 0 341.455 4.022 20 30 EIEDRO CCC1(CC)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC001193431046 1051925580 /nfs/dbraw/zinc/92/55/80/1051925580.db2.gz YYVAVAHNSCXJNB-UHFFFAOYSA-N 1 0 347.890 4.442 20 30 EIEDRO CCC1(CC)CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001193430767 1051926194 /nfs/dbraw/zinc/92/61/94/1051926194.db2.gz QJBLFVAEMLCBLG-UHFFFAOYSA-N 1 0 327.472 4.179 20 30 EIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(CCc2ccccc2)CC1 ZINC001176192974 1051937394 /nfs/dbraw/zinc/93/73/94/1051937394.db2.gz HKCKLKKKBSYSEQ-UHFFFAOYSA-N 1 0 334.463 4.412 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](C)C2)c1 ZINC001193516538 1051942082 /nfs/dbraw/zinc/94/20/82/1051942082.db2.gz CYDUJDALETUSQH-VQIMIIECSA-N 1 0 341.499 4.061 20 30 EIEDRO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001184046064 1051944409 /nfs/dbraw/zinc/94/44/09/1051944409.db2.gz SGWPLNCCTZWWRH-VJBWXMMDSA-N 1 0 346.474 4.442 20 30 EIEDRO CC(C)C1CCC(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 ZINC001184047060 1051945862 /nfs/dbraw/zinc/94/58/62/1051945862.db2.gz ZVQWSNZZXKMGSL-GZNCHQMQSA-N 1 0 326.484 4.394 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000184448759 1051980839 /nfs/dbraw/zinc/98/08/39/1051980839.db2.gz KHENZVUDTLIPFG-ZDUSSCGKSA-N 1 0 329.469 4.042 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1nc(C(C)(C)C)cs1 ZINC000184483572 1052007819 /nfs/dbraw/zinc/00/78/19/1052007819.db2.gz KCFQCZRATFKDAX-CYBMUJFWSA-N 1 0 329.469 4.042 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001184451743 1052015335 /nfs/dbraw/zinc/01/53/35/1052015335.db2.gz NMNRNEIWSKRCRP-XHDPSFHLSA-N 1 0 348.796 4.008 20 30 EIEDRO CC(C)c1cccc2c1CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C2 ZINC001194041929 1052059697 /nfs/dbraw/zinc/05/96/97/1052059697.db2.gz IKSXESHIZMZPMN-UHFFFAOYSA-N 1 0 347.462 4.069 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1cc(Cl)cc2c1OCC2 ZINC001176442538 1052060439 /nfs/dbraw/zinc/06/04/39/1052060439.db2.gz YEZHMLVBVGQWTI-CYBMUJFWSA-N 1 0 326.827 4.306 20 30 EIEDRO C[C@H]([NH2+]CCC(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000165492027 1052067512 /nfs/dbraw/zinc/06/75/12/1052067512.db2.gz SXRPCEXLQLFDLB-ZETCQYMHSA-N 1 0 349.246 4.492 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cc(Cl)cc2c1OCC2 ZINC001176453496 1052076139 /nfs/dbraw/zinc/07/61/39/1052076139.db2.gz VFZUHYUIBRRWPM-ZDUSSCGKSA-N 1 0 326.827 4.040 20 30 EIEDRO C#CC[N@H+](C[C@H]1COC2(CCCCC2)O1)[C@H]1CCCc2ccccc21 ZINC001176454138 1052078794 /nfs/dbraw/zinc/07/87/94/1052078794.db2.gz ZPNWZDSLLFMCOL-FPOVZHCZSA-N 1 0 339.479 4.075 20 30 EIEDRO C=CCCCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC001194133889 1052082046 /nfs/dbraw/zinc/08/20/46/1052082046.db2.gz ZSBHYSCIIRNIQI-KRWDZBQOSA-N 1 0 327.390 4.353 20 30 EIEDRO CCC1(CC)[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1OC ZINC001194090463 1052082648 /nfs/dbraw/zinc/08/26/48/1052082648.db2.gz HZCOHPYZQUCAKQ-IAGOWNOFSA-N 1 0 339.401 4.240 20 30 EIEDRO CCCC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCCC[C@H]1OC ZINC001194348088 1052136149 /nfs/dbraw/zinc/13/61/49/1052136149.db2.gz DSVGGRARVAOJGM-UYAOXDASSA-N 1 0 330.472 4.127 20 30 EIEDRO Cc1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)ccc1C#N ZINC000774813724 1052159255 /nfs/dbraw/zinc/15/92/55/1052159255.db2.gz FWHRRFWVUDPKLQ-UHFFFAOYSA-N 1 0 332.403 4.368 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(C)CCCc3ccccc32)cc1 ZINC000774827561 1052163601 /nfs/dbraw/zinc/16/36/01/1052163601.db2.gz PCHMKRHHXJEHNM-HTAPYJJXSA-N 1 0 334.463 4.361 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCO[C@@H]2CCCC[C@H]2C)ccc1OC ZINC000622266549 1052169118 /nfs/dbraw/zinc/16/91/18/1052169118.db2.gz AMQUQOUSKUWBPN-IEBWSBKVSA-N 1 0 347.499 4.335 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1 ZINC000774831606 1052181899 /nfs/dbraw/zinc/18/18/99/1052181899.db2.gz LXBUISBFOHZNAC-IBGZPJMESA-N 1 0 349.478 4.209 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)C2CCCCC2)cc1OCCCC#N ZINC000174446338 1052567531 /nfs/dbraw/zinc/56/75/31/1052567531.db2.gz OLQJWKRBDSAANS-MRXNPFEDSA-N 1 0 330.472 4.436 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(C(F)F)CC2)cc1OC ZINC000623510848 1052666097 /nfs/dbraw/zinc/66/60/97/1052666097.db2.gz NOYZQGMHMAVDCB-UHFFFAOYSA-N 1 0 331.790 4.048 20 30 EIEDRO CC(C)(C[NH2+]Cc1cccc(F)c1OCC(F)(F)F)C(F)(F)F ZINC000623515773 1052670579 /nfs/dbraw/zinc/67/05/79/1052670579.db2.gz OYTGPKWDSRBVTI-UHFFFAOYSA-N 1 0 347.274 4.445 20 30 EIEDRO Fc1cccc(C[NH2+]C2CC(C(F)(F)F)C2)c1OCC(F)(F)F ZINC000623525607 1052672262 /nfs/dbraw/zinc/67/22/62/1052672262.db2.gz UDJGLYMNMWGEKC-UHFFFAOYSA-N 1 0 345.258 4.197 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cccc(F)c1OCC(F)(F)F)CC(F)(F)F ZINC000623550673 1052677659 /nfs/dbraw/zinc/67/76/59/1052677659.db2.gz XVQSBFGVVPGDPW-SECBINFHSA-N 1 0 347.274 4.445 20 30 EIEDRO CC(C)[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1cccnc1 ZINC000177596069 1052679398 /nfs/dbraw/zinc/67/93/98/1052679398.db2.gz ADRPNVBNKSCEJW-NRFANRHFSA-N 1 0 337.467 4.294 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)Cc1cccnc1 ZINC000177839881 1052692156 /nfs/dbraw/zinc/69/21/56/1052692156.db2.gz OGKJPVDADSQRLO-UHFFFAOYSA-N 1 0 341.458 4.413 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccccc1 ZINC000180041241 1052775155 /nfs/dbraw/zinc/77/51/55/1052775155.db2.gz XAEZXYXTRRXHJW-LJQANCHMSA-N 1 0 327.399 4.489 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001299258876 1052805250 /nfs/dbraw/zinc/80/52/50/1052805250.db2.gz JVFOLPYKYWWRLK-HXUWFJFHSA-N 1 0 347.462 4.208 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623976994 1052845949 /nfs/dbraw/zinc/84/59/49/1052845949.db2.gz CMJHIUDGMKOSHU-HSMVNMDESA-N 1 0 331.353 4.476 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](c1cccs1)c1ccc(CCC)cc1 ZINC000764073405 1053028471 /nfs/dbraw/zinc/02/84/71/1053028471.db2.gz FRBSFEJDLBHXOW-LJQANCHMSA-N 1 0 342.508 4.024 20 30 EIEDRO N#CCCCOc1cccc(N[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000194403444 1053039918 /nfs/dbraw/zinc/03/99/18/1053039918.db2.gz SUQACOGSZIIVDI-OAQYLSRUSA-N 1 0 349.478 4.098 20 30 EIEDRO C=CCn1c(SCCC[NH+](CC)CC)nnc1-c1cccs1 ZINC000194553453 1053043043 /nfs/dbraw/zinc/04/30/43/1053043043.db2.gz ARHAMMNIPIZVLO-UHFFFAOYSA-N 1 0 336.530 4.017 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(F)cc1F ZINC000119595946 1053069465 /nfs/dbraw/zinc/06/94/65/1053069465.db2.gz LUWOMZUCOJHEES-BFUOFWGJSA-N 1 0 330.378 4.497 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000850137530 1053078840 /nfs/dbraw/zinc/07/88/40/1053078840.db2.gz QCHOOTFKSGLVLO-HXUWFJFHSA-N 1 0 345.446 4.213 20 30 EIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000863861005 1053087804 /nfs/dbraw/zinc/08/78/04/1053087804.db2.gz KFVTVAGDKAUASS-UHFFFAOYSA-N 1 0 349.434 4.082 20 30 EIEDRO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001194875186 1053140557 /nfs/dbraw/zinc/14/05/57/1053140557.db2.gz XOSWJZYWJSTVOZ-CQSZACIVSA-N 1 0 343.833 4.061 20 30 EIEDRO Fc1ccc(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)cn1 ZINC000850388895 1053160316 /nfs/dbraw/zinc/16/03/16/1053160316.db2.gz OURQENPXPZIXSZ-UHFFFAOYSA-N 1 0 332.263 4.364 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850412259 1053183033 /nfs/dbraw/zinc/18/30/33/1053183033.db2.gz CIOQMAQWEXDXFO-SJORKVTESA-N 1 0 334.872 4.121 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850413106 1053184326 /nfs/dbraw/zinc/18/43/26/1053184326.db2.gz NAPXWYCTODYBNW-MOPGFXCFSA-N 1 0 328.843 4.059 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)ccc1OC ZINC000850444836 1053217699 /nfs/dbraw/zinc/21/76/99/1053217699.db2.gz ZOVLUWVXGSWXHY-PDOICOKGSA-N 1 0 342.483 4.290 20 30 EIEDRO CC#CC[NH+]1CCC(c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC001194982944 1053218111 /nfs/dbraw/zinc/21/81/11/1053218111.db2.gz GVVKMJGWOKTKIR-UHFFFAOYSA-N 1 0 328.456 4.236 20 30 EIEDRO Cc1cc(F)ccc1C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000794616735 1053232182 /nfs/dbraw/zinc/23/21/82/1053232182.db2.gz HPOYLVYHIDQVEH-UHFFFAOYSA-N 1 0 338.426 4.416 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccco1 ZINC000850488353 1053257922 /nfs/dbraw/zinc/25/79/22/1053257922.db2.gz MJAFSTMFAYKZCT-APWZRJJASA-N 1 0 326.440 4.164 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850557017 1053311495 /nfs/dbraw/zinc/31/14/95/1053311495.db2.gz UKFJZZLZECBLRX-MSOLQXFVSA-N 1 0 347.245 4.176 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2csc(C)n2)cc1 ZINC000764826668 1053318974 /nfs/dbraw/zinc/31/89/74/1053318974.db2.gz JAWCLRUPNOBGFE-CYBMUJFWSA-N 1 0 336.888 4.476 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)C[C@H]2C)ccc1Cl ZINC001195196826 1053324874 /nfs/dbraw/zinc/32/48/74/1053324874.db2.gz YFJACBGGECOSTJ-OAHLLOKOSA-N 1 0 347.890 4.016 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000764963259 1053403173 /nfs/dbraw/zinc/40/31/73/1053403173.db2.gz BWNGECXTCOZNHQ-ZYSHUDEJSA-N 1 0 334.891 4.095 20 30 EIEDRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000765016528 1053421366 /nfs/dbraw/zinc/42/13/66/1053421366.db2.gz VUWZCBFVMNQPMK-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CCC2)cc1 ZINC001195557606 1053426987 /nfs/dbraw/zinc/42/69/87/1053426987.db2.gz HYRYKEXNDGOFIH-HOTGVXAUSA-N 1 0 338.373 4.027 20 30 EIEDRO Cc1cc2oc(=O)cc(CN(CCC#N)CC(C)(C)C)c2cc1C ZINC000109811771 1053432709 /nfs/dbraw/zinc/43/27/09/1053432709.db2.gz BBVPLADHWDVZGX-UHFFFAOYSA-N 1 0 326.440 4.172 20 30 EIEDRO CCc1csc(CC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n1 ZINC001195630462 1053441769 /nfs/dbraw/zinc/44/17/69/1053441769.db2.gz DGZCLIYWPVJUIN-UHFFFAOYSA-N 1 0 343.471 4.171 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCn2ccnc2C)cc1 ZINC000765144084 1053453780 /nfs/dbraw/zinc/45/37/80/1053453780.db2.gz RLVCCFANQFBLQJ-OAHLLOKOSA-N 1 0 333.863 4.064 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)Nc2c(C)cc(Cl)c3ccccc32)CC1 ZINC000765295244 1053494529 /nfs/dbraw/zinc/49/45/29/1053494529.db2.gz XLSRQMPORXFBLT-UHFFFAOYSA-N 1 0 340.854 4.085 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000925487505 1053512701 /nfs/dbraw/zinc/51/27/01/1053512701.db2.gz WOKPMFGMZADPAV-UEKVPHQBSA-N 1 0 329.271 4.333 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001202483804 1053513288 /nfs/dbraw/zinc/51/32/88/1053513288.db2.gz SHPACCGTQKMGLD-GGAORHGYSA-N 1 0 348.490 4.073 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC(=O)Nc1ccccc1C(C)=O ZINC001196058045 1053566937 /nfs/dbraw/zinc/56/69/37/1053566937.db2.gz WHSGZTRGZPDKQK-MJGOQNOKSA-N 1 0 342.483 4.332 20 30 EIEDRO CCc1cc2oc(=O)cc(CN3CCC[C@@H](CC#N)C3)c2cc1Cl ZINC000852320131 1053568957 /nfs/dbraw/zinc/56/89/57/1053568957.db2.gz WXHJBUWGXLGCLZ-ZDUSSCGKSA-N 1 0 344.842 4.134 20 30 EIEDRO C=CC[C@@H](C)[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001196048369 1053572223 /nfs/dbraw/zinc/57/22/23/1053572223.db2.gz SIDUMXPISJBOKU-SJLPKXTDSA-N 1 0 336.520 4.310 20 30 EIEDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000852470704 1053583222 /nfs/dbraw/zinc/58/32/22/1053583222.db2.gz XZVMODJTSQQBMS-SCLBCKFNSA-N 1 0 326.827 4.060 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000852596253 1053593777 /nfs/dbraw/zinc/59/37/77/1053593777.db2.gz YLWLCUHYUREIHN-GOSISDBHSA-N 1 0 348.874 4.023 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852594842 1053594604 /nfs/dbraw/zinc/59/46/04/1053594604.db2.gz DGCMFKIMNLTCDM-YJBOKZPZSA-N 1 0 348.874 4.023 20 30 EIEDRO Cn1cc(C[NH2+]Cc2ccc(C(C)(C)C)o2)c(-c2ccc(C#N)cc2)n1 ZINC000865814009 1053598596 /nfs/dbraw/zinc/59/85/96/1053598596.db2.gz FDXOUOPEVABPMJ-UHFFFAOYSA-N 1 0 348.450 4.139 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cc2cnccc2o1 ZINC000865855271 1053609773 /nfs/dbraw/zinc/60/97/73/1053609773.db2.gz XEDATXKBICCBSI-OAHLLOKOSA-N 1 0 346.434 4.019 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cc2cnccc2o1 ZINC000865854862 1053609981 /nfs/dbraw/zinc/60/99/81/1053609981.db2.gz SDCIRAGRRYXBCR-HNNXBMFYSA-N 1 0 335.407 4.361 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc2c(c1)CCCO2 ZINC000853095273 1053645017 /nfs/dbraw/zinc/64/50/17/1053645017.db2.gz VHYKTPQKZIQQKP-KRWDZBQOSA-N 1 0 349.478 4.212 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853095075 1053645265 /nfs/dbraw/zinc/64/52/65/1053645265.db2.gz RANSRYHBVZMJQL-QGZVFWFLSA-N 1 0 335.447 4.265 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC001196392791 1053653814 /nfs/dbraw/zinc/65/38/14/1053653814.db2.gz JTDPUJAKKHFQRQ-INIZCTEOSA-N 1 0 342.389 4.225 20 30 EIEDRO CC(C)c1ccccc1OCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000111407568 1053687583 /nfs/dbraw/zinc/68/75/83/1053687583.db2.gz MWVDULZVHGPKIB-KRWDZBQOSA-N 1 0 338.451 4.269 20 30 EIEDRO N#Cc1ccccc1NC1CC[NH+](CCOC2CCCCCC2)CC1 ZINC001196534792 1053696856 /nfs/dbraw/zinc/69/68/56/1053696856.db2.gz DNGPVJDHWMKXJN-UHFFFAOYSA-N 1 0 341.499 4.174 20 30 EIEDRO Cc1ccsc1[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866445326 1053732466 /nfs/dbraw/zinc/73/24/66/1053732466.db2.gz JDNQXPVAYJDCSL-HNNXBMFYSA-N 1 0 325.481 4.248 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccsc1 ZINC000866448537 1053734284 /nfs/dbraw/zinc/73/42/84/1053734284.db2.gz IFLYBUFPRIFJPM-SFHVURJKSA-N 1 0 325.481 4.329 20 30 EIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000866617708 1053807009 /nfs/dbraw/zinc/80/70/09/1053807009.db2.gz NZGAPCGVRVYXGT-HLAWJBBLSA-N 1 0 331.463 4.045 20 30 EIEDRO CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001197041376 1053823605 /nfs/dbraw/zinc/82/36/05/1053823605.db2.gz MKWVBSVONRMGQJ-IBGZPJMESA-N 1 0 338.426 4.344 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccccc2F)cc(OC)c1OC ZINC000112538678 1053838989 /nfs/dbraw/zinc/83/89/89/1053838989.db2.gz LFAAIZXUBCIMQC-AWEZNQCLSA-N 1 0 329.415 4.422 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868159731 1053878463 /nfs/dbraw/zinc/87/84/63/1053878463.db2.gz USIBEGXHQSFNOT-FQEVSTJZSA-N 1 0 329.488 4.034 20 30 EIEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c1 ZINC000921569885 1053894258 /nfs/dbraw/zinc/89/42/58/1053894258.db2.gz DSYQGYZZROGHBD-OAHLLOKOSA-N 1 0 349.478 4.450 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCCC[C@@H]2CC2(O)CCCCC2)ccc1F ZINC001197692546 1053975682 /nfs/dbraw/zinc/97/56/82/1053975682.db2.gz NMPBVGFRSSGYKX-GOSISDBHSA-N 1 0 330.447 4.137 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1 ZINC000765755280 1053986929 /nfs/dbraw/zinc/98/69/29/1053986929.db2.gz RQOUQQARPFJWNB-GOEBONIOSA-N 1 0 347.890 4.310 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000113952596 1054027420 /nfs/dbraw/zinc/02/74/20/1054027420.db2.gz GBKMPUOECARZIJ-CJNGLKHVSA-N 1 0 330.378 4.497 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2C)cc1OC(F)F ZINC000186168215 1054028832 /nfs/dbraw/zinc/02/88/32/1054028832.db2.gz LKTOKHHPNUOLJE-UHFFFAOYSA-N 1 0 346.377 4.109 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)cc1 ZINC000113961404 1054033665 /nfs/dbraw/zinc/03/36/65/1054033665.db2.gz WYPUICUTZWGDOS-HXUWFJFHSA-N 1 0 348.446 4.059 20 30 EIEDRO C#CC[N@@H+](CCCCCn1cc(C)cn1)[C@H]1CCCc2ccccc21 ZINC001198103823 1054078291 /nfs/dbraw/zinc/07/82/91/1054078291.db2.gz KDPPULUJNVGBSE-QFIPXVFZSA-N 1 0 335.495 4.375 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c(C(F)(F)F)c1 ZINC000856805789 1054112656 /nfs/dbraw/zinc/11/26/56/1054112656.db2.gz VZDLEHRYUKNXKL-NSHDSACASA-N 1 0 337.172 4.251 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC001198269594 1054120167 /nfs/dbraw/zinc/12/01/67/1054120167.db2.gz AVAGELUGTFATQB-OOZJCBPQSA-N 1 0 344.458 4.174 20 30 EIEDRO C=CCC[C@@H]1CCC[N@H+]1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198405857 1054139836 /nfs/dbraw/zinc/13/98/36/1054139836.db2.gz BNWQNKUSJWGBAI-ZWKOTPCHSA-N 1 0 336.520 4.454 20 30 EIEDRO C=CCCC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1Br ZINC001198458383 1054149556 /nfs/dbraw/zinc/14/95/56/1054149556.db2.gz RCWMEAFNIIUOQL-UHFFFAOYSA-N 1 0 327.222 4.145 20 30 EIEDRO C[C@@H]1CC[C@](CO)([NH2+]CCCCC2(C#N)CCC2)c2ccccc21 ZINC001198696578 1054228509 /nfs/dbraw/zinc/22/85/09/1054228509.db2.gz VWMBUFSDWBESAH-DYESRHJHSA-N 1 0 326.484 4.225 20 30 EIEDRO CC(C)[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCCCC1 ZINC001199160395 1054355050 /nfs/dbraw/zinc/35/50/50/1054355050.db2.gz BTDWCLWUHLVXQI-OAQYLSRUSA-N 1 0 341.543 4.478 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCCC2 ZINC000872074849 1054378648 /nfs/dbraw/zinc/37/86/48/1054378648.db2.gz JEMRREFTCQENRK-QILLFSRXSA-N 1 0 328.456 4.143 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024022 1054404026 /nfs/dbraw/zinc/40/40/26/1054404026.db2.gz SYYUZMZUKUGYTQ-KKSFZXQISA-N 1 0 347.462 4.435 20 30 EIEDRO C=CC[C@H]([NH2+]Cc1cc(OCC)c(OC)cc1F)c1ccncc1 ZINC000858139586 1054423666 /nfs/dbraw/zinc/42/36/66/1054423666.db2.gz WTPAECLDIDSTJP-KRWDZBQOSA-N 1 0 330.403 4.035 20 30 EIEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)c(Br)cc1F ZINC000858161634 1054429427 /nfs/dbraw/zinc/42/94/27/1054429427.db2.gz CDJVSGSQZJLIIQ-UHFFFAOYSA-N 1 0 339.252 4.316 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872277911 1054432888 /nfs/dbraw/zinc/43/28/88/1054432888.db2.gz ASRAIQGJAPVDCV-SFHVURJKSA-N 1 0 348.874 4.166 20 30 EIEDRO C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC001199659475 1054438954 /nfs/dbraw/zinc/43/89/54/1054438954.db2.gz ZFRHVWYVVINQBM-CQSZACIVSA-N 1 0 328.481 4.474 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776012661 1054445608 /nfs/dbraw/zinc/44/56/08/1054445608.db2.gz INULANRJXJZZKO-DVOMOZLQSA-N 1 0 326.362 4.140 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000858425304 1054487518 /nfs/dbraw/zinc/48/75/18/1054487518.db2.gz FUYPQXNBRGESIQ-DLBZAZTESA-N 1 0 349.519 4.084 20 30 EIEDRO Cc1sc(C[NH2+]CC2CCC(C#N)CC2)cc1Br ZINC000873121151 1054488863 /nfs/dbraw/zinc/48/88/63/1054488863.db2.gz DFZQSZJJOODUNF-UHFFFAOYSA-N 1 0 327.291 4.239 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc(C)ccc2OC)cc(OC)c1OC ZINC000105478206 1054525485 /nfs/dbraw/zinc/52/54/85/1054525485.db2.gz MYAQVIVQZVVQIR-UHFFFAOYSA-N 1 0 341.451 4.039 20 30 EIEDRO CCN(CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cccc(C)c1 ZINC000776154297 1054753163 /nfs/dbraw/zinc/75/31/63/1054753163.db2.gz SXKMKCDOTIRPIC-SFHVURJKSA-N 1 0 337.467 4.075 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc2c(s1)CCCC2)c1ccc(OCC#N)cc1 ZINC000776160589 1054758978 /nfs/dbraw/zinc/75/89/78/1054758978.db2.gz PBADPHOVPHUQEU-CQSZACIVSA-N 1 0 326.465 4.380 20 30 EIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](CC1CCCCC1)CC2 ZINC001201390903 1054789295 /nfs/dbraw/zinc/78/92/95/1054789295.db2.gz SGFCBPYOUXRJRE-UHFFFAOYSA-N 1 0 334.504 4.067 20 30 EIEDRO CN(C)c1ccncc1C=[NH+]N(Cc1ccccc1)Cc1ccccc1 ZINC000776186396 1054804087 /nfs/dbraw/zinc/80/40/87/1054804087.db2.gz YCMIYPNHFZEOHC-UHFFFAOYSA-N 1 0 344.462 4.184 20 30 EIEDRO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(F)c1 ZINC001201474659 1054827628 /nfs/dbraw/zinc/82/76/28/1054827628.db2.gz JLUPZEWNEAZGFK-MOPGFXCFSA-N 1 0 333.410 4.430 20 30 EIEDRO CC(C)n1ncc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201475850 1054829137 /nfs/dbraw/zinc/82/91/37/1054829137.db2.gz ZTULLIASTAPOJL-UXHICEINSA-N 1 0 347.466 4.068 20 30 EIEDRO N#CCc1cccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001201478093 1054831208 /nfs/dbraw/zinc/83/12/08/1054831208.db2.gz VJPDICYBEDGGQW-YADHBBJMSA-N 1 0 329.447 4.485 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(I)s1 ZINC001201655893 1054877804 /nfs/dbraw/zinc/87/78/04/1054877804.db2.gz PVDRCQIAHFBNPZ-SNVBAGLBSA-N 1 0 335.254 4.187 20 30 EIEDRO C=CCCC[C@H](C)[NH2+]Cc1cccc(F)c1I ZINC001201657175 1054878419 /nfs/dbraw/zinc/87/84/19/1054878419.db2.gz XELFZCQDGBNWEE-NSHDSACASA-N 1 0 347.215 4.265 20 30 EIEDRO CCCCCCC[N@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC)C1 ZINC001201762409 1054899848 /nfs/dbraw/zinc/89/98/48/1054899848.db2.gz KESAPJPNYMAMEB-GOSISDBHSA-N 1 0 333.520 4.199 20 30 EIEDRO CCCCCCC[NH+]1CCC(c2cccc(S(C)(=O)=O)c2)CC1 ZINC001201797914 1054909072 /nfs/dbraw/zinc/90/90/72/1054909072.db2.gz GNOMWPQGEOCPPM-UHFFFAOYSA-N 1 0 337.529 4.240 20 30 EIEDRO CCCCCCCC[N@@H+]1CCc2ccc(=O)n(CC3CC3)c2CC1 ZINC001201813907 1054910839 /nfs/dbraw/zinc/91/08/39/1054910839.db2.gz KTOMDVMDXFIYJL-UHFFFAOYSA-N 1 0 330.516 4.019 20 30 EIEDRO CCCCCCC[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC001201776321 1054913708 /nfs/dbraw/zinc/91/37/08/1054913708.db2.gz BRKNLGPZASZHEV-LJQANCHMSA-N 1 0 328.500 4.095 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001201776735 1054916026 /nfs/dbraw/zinc/91/60/26/1054916026.db2.gz JMLPWLDOPJEOJV-VAMGGRTRSA-N 1 0 332.488 4.053 20 30 EIEDRO CCCCCCCCCCN1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001201852706 1054920966 /nfs/dbraw/zinc/92/09/66/1054920966.db2.gz HRHYZKQDCPFIQO-IBGZPJMESA-N 1 0 334.552 4.017 20 30 EIEDRO CCCCCCCCC[NH+]1CCC2(CC1)c1ncc(C)n1CCN2C ZINC001201846887 1054933520 /nfs/dbraw/zinc/93/35/20/1054933520.db2.gz ORCRKQJTLNMHKX-UHFFFAOYSA-N 1 0 346.563 4.179 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000876593267 1054935658 /nfs/dbraw/zinc/93/56/58/1054935658.db2.gz YSBUHWUMZKZLAO-KBPBESRZSA-N 1 0 347.673 4.127 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000876637171 1054942130 /nfs/dbraw/zinc/94/21/30/1054942130.db2.gz IRQOTJLNNNXXKG-CYBMUJFWSA-N 1 0 326.893 4.294 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC000876631499 1054942167 /nfs/dbraw/zinc/94/21/67/1054942167.db2.gz STNHYLYPVWZVIH-IBGZPJMESA-N 1 0 342.870 4.016 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876875448 1054975521 /nfs/dbraw/zinc/97/55/21/1054975521.db2.gz VQCUVWIKFIIJBN-OAHLLOKOSA-N 1 0 331.460 4.106 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2OC2CCC2)cc1 ZINC000118454802 1054979005 /nfs/dbraw/zinc/97/90/05/1054979005.db2.gz IRUVGYHLGZCVJV-MRXNPFEDSA-N 1 0 336.435 4.199 20 30 EIEDRO N#CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)cc1 ZINC001137114707 1054984097 /nfs/dbraw/zinc/98/40/97/1054984097.db2.gz WBSZOVOUCARGSG-UHFFFAOYSA-N 1 0 343.430 4.186 20 30 EIEDRO CCCCCCCCCC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877018384 1055001173 /nfs/dbraw/zinc/00/11/73/1055001173.db2.gz VRTQZXRQBINEOZ-CABCVRRESA-N 1 0 336.442 4.113 20 30 EIEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877077384 1055013091 /nfs/dbraw/zinc/01/30/91/1055013091.db2.gz GFQKMOQWCUWVGM-DIFFPNOSSA-N 1 0 329.806 4.159 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)ccc1C#N ZINC001202093162 1055028372 /nfs/dbraw/zinc/02/83/72/1055028372.db2.gz RXFWLBSDRJMZEE-SFTDATJTSA-N 1 0 334.463 4.340 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)ccc1C#N ZINC001202093161 1055028821 /nfs/dbraw/zinc/02/88/21/1055028821.db2.gz RXFWLBSDRJMZEE-RTWAWAEBSA-N 1 0 334.463 4.340 20 30 EIEDRO Cc1c([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cnn1-c1ccccc1 ZINC000777248675 1055050989 /nfs/dbraw/zinc/05/09/89/1055050989.db2.gz HETUYTFISAVBRQ-INIZCTEOSA-N 1 0 342.446 4.392 20 30 EIEDRO C[C@H](CCC#N)C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000877522691 1055071604 /nfs/dbraw/zinc/07/16/04/1055071604.db2.gz SGYCJZYVOKWQJV-QGZVFWFLSA-N 1 0 325.456 4.288 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccccc1CN(C)C(=O)OC(C)(C)C ZINC000877612675 1055092565 /nfs/dbraw/zinc/09/25/65/1055092565.db2.gz UHTBPRQQNUCGBM-MRXNPFEDSA-N 1 0 345.487 4.083 20 30 EIEDRO COC(=O)CCC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001202252190 1055096200 /nfs/dbraw/zinc/09/62/00/1055096200.db2.gz DDIQNEVIBFCOTD-KRWDZBQOSA-N 1 0 336.435 4.075 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCC(C#N)CC2)CC(C)(C)C1 ZINC000877693300 1055107358 /nfs/dbraw/zinc/10/73/58/1055107358.db2.gz FKEMPOWNWPXSST-JCYILVPMSA-N 1 0 349.519 4.084 20 30 EIEDRO C=CCC1(C[NH2+]Cc2c(Cl)cccc2N2CCOCC2)CCCC1 ZINC001202387092 1055146063 /nfs/dbraw/zinc/14/60/63/1055146063.db2.gz DAXXRSSLURDSOL-UHFFFAOYSA-N 1 0 348.918 4.403 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000877898977 1055147533 /nfs/dbraw/zinc/14/75/33/1055147533.db2.gz WYPLAMINJVFIPX-FGZHOGPDSA-N 1 0 332.447 4.264 20 30 EIEDRO CCC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877900904 1055147997 /nfs/dbraw/zinc/14/79/97/1055147997.db2.gz YCNLHFVYQNNYRQ-QFIPXVFZSA-N 1 0 334.463 4.339 20 30 EIEDRO CCc1ccc(C[N@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)cc1 ZINC000877932438 1055156766 /nfs/dbraw/zinc/15/67/66/1055156766.db2.gz GPYQAZRGKBKKKY-JOCHJYFZSA-N 1 0 334.463 4.121 20 30 EIEDRO C=C(C)CN(CC)Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000877936301 1055157103 /nfs/dbraw/zinc/15/71/03/1055157103.db2.gz TXSSKRKHCWTBMQ-UHFFFAOYSA-N 1 0 337.423 4.296 20 30 EIEDRO CN(Cc1ccoc1)Cc1cc(C#N)cc(CN(C)Cc2ccoc2)c1 ZINC000877989294 1055168948 /nfs/dbraw/zinc/16/89/48/1055168948.db2.gz WSYACOCRGDQHNB-UHFFFAOYSA-N 1 0 349.434 4.008 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+](Cc1ccccc1C)C1CC1)c1ccccc1 ZINC000878002840 1055171355 /nfs/dbraw/zinc/17/13/55/1055171355.db2.gz LUQBMITVCRZPIW-HSZRJFAPSA-N 1 0 346.474 4.400 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@H+](CCc1ccccc1)C1CC1)c1ccccc1 ZINC000878002610 1055171883 /nfs/dbraw/zinc/17/18/83/1055171883.db2.gz FHABSXCTWBSXIQ-QHCPKHFHSA-N 1 0 346.474 4.134 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](c2ccccc2C)C1)c1ccccc1 ZINC000878031157 1055179835 /nfs/dbraw/zinc/17/98/35/1055179835.db2.gz RIOFINUVPHUBST-OFNKIYASSA-N 1 0 346.474 4.225 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccccc1 ZINC000878362754 1055264951 /nfs/dbraw/zinc/26/49/51/1055264951.db2.gz GVJZWSSJVQBPIQ-IXDOHACOSA-N 1 0 337.385 4.278 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1ccccc1 ZINC000878362753 1055265938 /nfs/dbraw/zinc/26/59/38/1055265938.db2.gz GVJZWSSJVQBPIQ-BBWFWOEESA-N 1 0 337.385 4.278 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(O)c(C(C)(C)C)c1 ZINC000850022216 1055325677 /nfs/dbraw/zinc/32/56/77/1055325677.db2.gz IEDXGHUFOYHVHD-AWEZNQCLSA-N 1 0 338.451 4.421 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520015 1055331045 /nfs/dbraw/zinc/33/10/45/1055331045.db2.gz FKRDUFXQSDCBMN-WMZHIEFXSA-N 1 0 348.490 4.299 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000765800024 1055348645 /nfs/dbraw/zinc/34/86/45/1055348645.db2.gz MBHCCFJFTDCBDA-VQIMIIECSA-N 1 0 345.870 4.072 20 30 EIEDRO COc1c2ccccc2oc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000616094760 1055459652 /nfs/dbraw/zinc/45/96/52/1055459652.db2.gz XHPVQVRISOHMDG-SFHVURJKSA-N 1 0 332.403 4.480 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OC)c(O[C@@H](C)CC)c2)CC1 ZINC000106245273 1055668177 /nfs/dbraw/zinc/66/81/77/1055668177.db2.gz OVMZMJXCARGOCO-KRWDZBQOSA-N 1 0 346.515 4.003 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273384218 1055794992 /nfs/dbraw/zinc/79/49/92/1055794992.db2.gz DARIETOHRRCRTR-UYAOXDASSA-N 1 0 342.389 4.189 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000273467410 1055860788 /nfs/dbraw/zinc/86/07/88/1055860788.db2.gz RKWJKBCWZFWZNB-CYFNAFFESA-N 1 0 342.389 4.407 20 30 EIEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000056600935 1055888907 /nfs/dbraw/zinc/88/89/07/1055888907.db2.gz LPHMRWDYWIRLPV-UHFFFAOYSA-N 1 0 341.430 4.107 20 30 EIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3ccc(C#N)cn3)cc2)C1 ZINC000301071525 1055893947 /nfs/dbraw/zinc/89/39/47/1055893947.db2.gz DRSQMTUGQVRYSC-CALCHBBNSA-N 1 0 334.467 4.043 20 30 EIEDRO N#Cc1cnc2ccccc2c1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000301330475 1055923532 /nfs/dbraw/zinc/92/35/32/1055923532.db2.gz DIURJJGIWALIGS-IBGZPJMESA-N 1 0 346.434 4.339 20 30 EIEDRO C[C@@H](CNc1cc(C#N)nc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000301345079 1055924764 /nfs/dbraw/zinc/92/47/64/1055924764.db2.gz KCMOHYOVKRWQSO-AWEZNQCLSA-N 1 0 348.475 4.027 20 30 EIEDRO N#Cc1cnc2ccccc2c1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000301510595 1055944879 /nfs/dbraw/zinc/94/48/79/1055944879.db2.gz BFBSUKPIXJJHGS-SFHVURJKSA-N 1 0 348.494 4.199 20 30 EIEDRO N#Cc1cnc2ccccc2c1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000301537602 1055948352 /nfs/dbraw/zinc/94/83/52/1055948352.db2.gz RESGGEJPXQHADY-SFHVURJKSA-N 1 0 348.475 4.417 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNc1ccc(Cl)c(C#N)n1)c1ccccc1 ZINC000301548193 1055949182 /nfs/dbraw/zinc/94/91/82/1055949182.db2.gz UMSCZJKEDVUIQF-ZDUSSCGKSA-N 1 0 328.847 4.148 20 30 EIEDRO N#Cc1cnc2ccccc2c1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000301769893 1055980670 /nfs/dbraw/zinc/98/06/70/1055980670.db2.gz DCEASAKMNLFELG-UHFFFAOYSA-N 1 0 348.494 4.199 20 30 EIEDRO C[N@@H+]1CC[C@H](CNc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000301854047 1055992804 /nfs/dbraw/zinc/99/28/04/1055992804.db2.gz CGKIZBVPYWTEES-DNVCBOLYSA-N 1 0 343.833 4.456 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000302087998 1056017005 /nfs/dbraw/zinc/01/70/05/1056017005.db2.gz ZUCAUICHPULNNJ-HZPDHXFCSA-N 1 0 331.891 4.302 20 30 EIEDRO CC(=O)c1ccc(C#N)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000302134388 1056022965 /nfs/dbraw/zinc/02/29/65/1056022965.db2.gz ZJTYQQKSSAOKAZ-IIBYNOLFSA-N 1 0 347.462 4.226 20 30 EIEDRO C[NH+](C)CCCC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302462137 1056048781 /nfs/dbraw/zinc/04/87/81/1056048781.db2.gz VIWOPQBWVNOIMY-UHFFFAOYSA-N 1 0 339.405 4.135 20 30 EIEDRO Cc1cncc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000123202067 1056187091 /nfs/dbraw/zinc/18/70/91/1056187091.db2.gz KQLSWKGJZYNGEP-UHFFFAOYSA-N 1 0 343.430 4.131 20 30 EIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000404676812 1056264480 /nfs/dbraw/zinc/26/44/80/1056264480.db2.gz HKMLPIXDXLLBLH-GOSISDBHSA-N 1 0 327.359 4.237 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@@H](SC)C2)ccc1OC ZINC000921737499 1056265115 /nfs/dbraw/zinc/26/51/15/1056265115.db2.gz GVGHYSLAGQFXTG-GVDBMIGSSA-N 1 0 348.512 4.140 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccnn3C3CCC3)c2)s1 ZINC000921766085 1056507690 /nfs/dbraw/zinc/50/76/90/1056507690.db2.gz WRSRJVKKFZULSX-UHFFFAOYSA-N 1 0 348.475 4.498 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000765925229 1056549216 /nfs/dbraw/zinc/54/92/16/1056549216.db2.gz GDIZUVVOTGXVHC-NXHRZFHOSA-N 1 0 349.519 4.132 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000765925226 1056551043 /nfs/dbraw/zinc/55/10/43/1056551043.db2.gz GDIZUVVOTGXVHC-NJAFHUGGSA-N 1 0 349.519 4.132 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1F ZINC000305815007 1056626450 /nfs/dbraw/zinc/62/64/50/1056626450.db2.gz LPVVWCKYLOIOBP-HNAYVOBHSA-N 1 0 340.442 4.150 20 30 EIEDRO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCC[C@@H]1O ZINC001168677527 1056672960 /nfs/dbraw/zinc/67/29/60/1056672960.db2.gz OTAFPBHHVOJECI-IRLDBZIGSA-N 1 0 334.463 4.208 20 30 EIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC001168685430 1056727300 /nfs/dbraw/zinc/72/73/00/1056727300.db2.gz JXCZEAXRZZIGDH-KRWDZBQOSA-N 1 0 338.451 4.465 20 30 EIEDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000111087384 1056744966 /nfs/dbraw/zinc/74/49/66/1056744966.db2.gz PYIZVIPUAPHUGT-AWEZNQCLSA-N 1 0 344.503 4.151 20 30 EIEDRO CCO[C@@H]1C[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2O)C12CCC2 ZINC000741465630 1058222300 /nfs/dbraw/zinc/22/23/00/1058222300.db2.gz WOVATQJIPZISAL-BAHKZBQYSA-N 1 0 330.472 4.005 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cc(C#N)ccc2F)cc(C)c1OC(F)F ZINC000742381669 1058584801 /nfs/dbraw/zinc/58/48/01/1058584801.db2.gz BYJALERWSUMJOI-UHFFFAOYSA-N 1 0 334.341 4.205 20 30 EIEDRO C#CCCC[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1 ZINC000742385072 1058588479 /nfs/dbraw/zinc/58/84/79/1058588479.db2.gz IICKMFRCWLARHZ-UHFFFAOYSA-N 1 0 347.437 4.490 20 30 EIEDRO C#CCCC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000742385129 1058588696 /nfs/dbraw/zinc/58/86/96/1058588696.db2.gz PYNZSEUUQSSRKU-CYBMUJFWSA-N 1 0 339.279 4.062 20 30 EIEDRO C#CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000742385161 1058588824 /nfs/dbraw/zinc/58/88/24/1058588824.db2.gz XKDJBCDYHNCVGQ-UHFFFAOYSA-N 1 0 333.410 4.181 20 30 EIEDRO CCCCCCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000742484953 1058653859 /nfs/dbraw/zinc/65/38/59/1058653859.db2.gz RJVOWJPFFSPIJA-HXUWFJFHSA-N 1 0 330.516 4.375 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2cccc(F)c2F)ccc1O ZINC000743443085 1058992553 /nfs/dbraw/zinc/99/25/53/1058992553.db2.gz PUZUBPAMGHJCJV-UHFFFAOYSA-N 1 0 347.409 4.348 20 30 EIEDRO CN(C)c1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000743767992 1059114182 /nfs/dbraw/zinc/11/41/82/1059114182.db2.gz UAFWKRAMDXFGNM-UHFFFAOYSA-N 1 0 333.479 4.246 20 30 EIEDRO CC[N@H+](C[C@H](O)c1cccc(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000743842652 1059133930 /nfs/dbraw/zinc/13/39/30/1059133930.db2.gz JJEXYQIWYULEND-KUHUBIRLSA-N 1 0 328.843 4.328 20 30 EIEDRO CC[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000743860900 1059165182 /nfs/dbraw/zinc/16/51/82/1059165182.db2.gz YXIXEAHZAXAQRP-RXVVDRJESA-N 1 0 341.499 4.142 20 30 EIEDRO CC[N@H+](Cc1ccccc1C#N)Cc1cc(Br)ccc1O ZINC000743871078 1059192025 /nfs/dbraw/zinc/19/20/25/1059192025.db2.gz PIXLJZGMKKCFLS-UHFFFAOYSA-N 1 0 345.240 4.048 20 30 EIEDRO C#CCN(Cc1cc(-c2ccc(F)cc2)no1)Cc1ccc(F)cc1 ZINC000744209002 1059330088 /nfs/dbraw/zinc/33/00/88/1059330088.db2.gz NOQBSJHFTBJXMN-UHFFFAOYSA-N 1 0 338.357 4.255 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000744211502 1059330555 /nfs/dbraw/zinc/33/05/55/1059330555.db2.gz URQATGCHMBKGAB-LJQANCHMSA-N 1 0 349.396 4.470 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000745362150 1059822447 /nfs/dbraw/zinc/82/24/47/1059822447.db2.gz FYNWZEAPWJGADB-UHFFFAOYSA-N 1 0 346.434 4.386 20 30 EIEDRO CCN(CC)c1ccc(C=[NH+]Cc2nc3cc(C)ccc3[nH]2)c(O)c1 ZINC000745976589 1059944874 /nfs/dbraw/zinc/94/48/74/1059944874.db2.gz KQIHVDYLOIQYNG-CIAFOILYSA-N 1 0 336.439 4.042 20 30 EIEDRO N#CCCc1ccc(-n2c3cc(Cl)ccc3nc2CCC[NH3+])cc1 ZINC001168995848 1060567329 /nfs/dbraw/zinc/56/73/29/1060567329.db2.gz NOYZOVIEZFDWRT-UHFFFAOYSA-N 1 0 338.842 4.026 20 30 EIEDRO CC1(C)C[C@@H](Nc2cc(Cl)nc3[nH]cc(C#N)c32)C[C@](C)(C[NH3+])C1 ZINC001169145112 1060663531 /nfs/dbraw/zinc/66/35/31/1060663531.db2.gz SAOFSWLXCWBYDT-XIKOKIGWSA-N 1 0 345.878 4.044 20 30 EIEDRO CCCC[N@H+](CCC#N)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169299485 1060762926 /nfs/dbraw/zinc/76/29/26/1060762926.db2.gz GBQDIHFBHWXFRY-UHFFFAOYSA-N 1 0 328.456 4.170 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@H]2CCC(C)C)cc1 ZINC001169364783 1060781946 /nfs/dbraw/zinc/78/19/46/1060781946.db2.gz FRXTZXNXKCPXLI-ICSRJNTNSA-N 1 0 326.484 4.191 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC001169565377 1060859571 /nfs/dbraw/zinc/85/95/71/1060859571.db2.gz COMCAWYWHJLRLP-LNLFQRSKSA-N 1 0 341.499 4.126 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC001169565376 1060859903 /nfs/dbraw/zinc/85/99/03/1060859903.db2.gz COMCAWYWHJLRLP-JENIJYKNSA-N 1 0 341.499 4.126 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCc3ccccc3[C@H]2O)cc1 ZINC001169629344 1060877165 /nfs/dbraw/zinc/87/71/65/1060877165.db2.gz TXQLTQOEZCTENV-DNVJHFABSA-N 1 0 348.490 4.470 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cnc(C#N)c(C(F)(F)F)c1 ZINC001169696886 1060904678 /nfs/dbraw/zinc/90/46/78/1060904678.db2.gz MWPRNGVPSOCRJF-OAHLLOKOSA-N 1 0 346.356 4.212 20 30 EIEDRO CCOC(=O)N1CCC[C@H]([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001169695005 1060904794 /nfs/dbraw/zinc/90/47/94/1060904794.db2.gz SVHORUFJXGRCCY-IBGZPJMESA-N 1 0 349.519 4.326 20 30 EIEDRO C=CC[C@H]1[N@H+](CCC(=O)Nc2ccc(OCC)cc2)CCCC1(C)C ZINC001169845054 1060996384 /nfs/dbraw/zinc/99/63/84/1060996384.db2.gz RBTGSCVWMNJQPU-LJQANCHMSA-N 1 0 344.499 4.481 20 30 EIEDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc1 ZINC001169855135 1060999315 /nfs/dbraw/zinc/99/93/15/1060999315.db2.gz XHMTXXHOLJSOBH-YJBOKZPZSA-N 1 0 335.407 4.153 20 30 EIEDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000082138230 564056309 /nfs/dbraw/zinc/05/63/09/564056309.db2.gz YSIQHSAUQUENCW-SFHVURJKSA-N 1 0 326.396 4.086 20 30 EIEDRO C=CCC1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCCC1 ZINC000449861963 1032083845 /nfs/dbraw/zinc/08/38/45/1032083845.db2.gz UHOGPSSFHQFFGK-RTBURBONSA-N 1 0 332.532 4.236 20 30 EIEDRO C=CCC1(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000449883271 1032099703 /nfs/dbraw/zinc/09/97/03/1032099703.db2.gz BJGLIASNZOTRPK-UHFFFAOYSA-N 1 0 340.511 4.246 20 30 EIEDRO C=CC[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000532358975 1032149984 /nfs/dbraw/zinc/14/99/84/1032149984.db2.gz LHXYOFHJCFBNSR-HNNXBMFYSA-N 1 0 327.472 4.368 20 30 EIEDRO C=CCC1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000450025773 1032225777 /nfs/dbraw/zinc/22/57/77/1032225777.db2.gz HMMIILMRKGXWBR-UHFFFAOYSA-N 1 0 332.532 4.426 20 30 EIEDRO Cc1ccccc1[C@@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000536637728 1032226557 /nfs/dbraw/zinc/22/65/57/1032226557.db2.gz YKTWMFXWVGFOJE-NJEKYYFSSA-N 1 0 334.463 4.022 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000237604410 1032234025 /nfs/dbraw/zinc/23/40/25/1032234025.db2.gz AHJLZTCDHNFIGR-VGSWGCGISA-N 1 0 343.430 4.252 20 30 EIEDRO N#CCCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000237818027 1032236414 /nfs/dbraw/zinc/23/64/14/1032236414.db2.gz SGLKYCVBROGWCW-UHFFFAOYSA-N 1 0 330.435 4.323 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2C(C)C)CC1 ZINC000529242580 1032238584 /nfs/dbraw/zinc/23/85/84/1032238584.db2.gz GWXBONIAEMGINW-UHFFFAOYSA-N 1 0 335.879 4.235 20 30 EIEDRO CC[N@H+](Cc1cccc2c1OCCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000508620824 1032249357 /nfs/dbraw/zinc/24/93/57/1032249357.db2.gz QTSIANATNYZHMK-INIZCTEOSA-N 1 0 336.435 4.303 20 30 EIEDRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000245501013 1032276052 /nfs/dbraw/zinc/27/60/52/1032276052.db2.gz BOKMYOZJDUHMFH-IERDGZPVSA-N 1 0 336.435 4.323 20 30 EIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000532967927 1032417409 /nfs/dbraw/zinc/41/74/09/1032417409.db2.gz JVSAFGUMWSMMRK-UHFFFAOYSA-N 1 0 343.515 4.212 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)CN1Cc1ccccc1 ZINC000245717242 1032419173 /nfs/dbraw/zinc/41/91/73/1032419173.db2.gz GULLAYYWFJDCMY-STZQEDGTSA-N 1 0 333.479 4.284 20 30 EIEDRO CC(C)[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000610250189 1032421104 /nfs/dbraw/zinc/42/11/04/1032421104.db2.gz IVJPONMQWNIEDO-NQIIRXRSSA-N 1 0 349.478 4.309 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccc(C#N)cc2F)CC1 ZINC000532987192 1032428815 /nfs/dbraw/zinc/42/88/15/1032428815.db2.gz XOKVCZCGCRLJOS-MRXNPFEDSA-N 1 0 337.442 4.013 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](CC)c2c(C)noc2C)ccc1OC ZINC000121205535 1032568577 /nfs/dbraw/zinc/56/85/77/1032568577.db2.gz FFMKSMOKMYPZHS-KRWDZBQOSA-N 1 0 344.455 4.496 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000455036450 1032598857 /nfs/dbraw/zinc/59/88/57/1032598857.db2.gz QGNLUVSPVSUWJY-UHFFFAOYSA-N 1 0 343.515 4.040 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000181090546 1032643902 /nfs/dbraw/zinc/64/39/02/1032643902.db2.gz CLBDDHIOSPBAFO-SFHVURJKSA-N 1 0 343.515 4.037 20 30 EIEDRO C=CCC(C)(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000500563284 1032655859 /nfs/dbraw/zinc/65/58/59/1032655859.db2.gz QNLKUJPKSURQEI-OAHLLOKOSA-N 1 0 342.405 4.027 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000557626213 1018834251 /nfs/dbraw/zinc/83/42/51/1018834251.db2.gz SARDDIOAPRQHCW-HNNXBMFYSA-N 1 0 346.906 4.088 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)Cc2ccccc2O1 ZINC000430171412 1018965031 /nfs/dbraw/zinc/96/50/31/1018965031.db2.gz WCCAZVSGCUQZKT-QGZVFWFLSA-N 1 0 336.435 4.152 20 30 EIEDRO C=CC[C@H]1CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000890556011 1019081438 /nfs/dbraw/zinc/08/14/38/1019081438.db2.gz FVBXZCHNDHDYEG-NRFANRHFSA-N 1 0 334.463 4.109 20 30 EIEDRO C#CCN(Cc1cnc(Br)s1)[C@@H]1CCc2ccccc21 ZINC001139913444 1019082018 /nfs/dbraw/zinc/08/20/18/1019082018.db2.gz CLKKOTLYJBUCPH-OAHLLOKOSA-N 1 0 347.281 4.028 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000154343330 1019733269 /nfs/dbraw/zinc/73/32/69/1019733269.db2.gz BKWBCFQOGYQWSR-CVEARBPZSA-N 1 0 333.435 4.097 20 30 EIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000339660490 1019786377 /nfs/dbraw/zinc/78/63/77/1019786377.db2.gz HDWRZIGAIADRNE-GOSISDBHSA-N 1 0 348.425 4.020 20 30 EIEDRO CC(C)[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000339711039 1019837763 /nfs/dbraw/zinc/83/77/63/1019837763.db2.gz SCHHZPFHWQLTFT-UHFFFAOYSA-N 1 0 330.435 4.155 20 30 EIEDRO C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000179939147 1019949144 /nfs/dbraw/zinc/94/91/44/1019949144.db2.gz GWWUHKHXGQEUOJ-UHFFFAOYSA-N 1 0 342.446 4.147 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2ccccc2F)CC1)c1ccc(C#N)s1 ZINC000134784402 1019986674 /nfs/dbraw/zinc/98/66/74/1019986674.db2.gz YVUUPRFIBNXWQC-AWEZNQCLSA-N 1 0 343.471 4.074 20 30 EIEDRO N#Cc1ccc2c(c1)C[N@H+](CCc1ccc(Cl)cc1Cl)CC2 ZINC001209081300 1019990058 /nfs/dbraw/zinc/99/00/58/1019990058.db2.gz OAKAHZUEXIREGE-UHFFFAOYSA-N 1 0 331.246 4.466 20 30 EIEDRO CCC(CC)(CC)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000471225458 1020019901 /nfs/dbraw/zinc/01/99/01/1020019901.db2.gz FLTGAMMXHDENKB-HNNXBMFYSA-N 1 0 347.528 4.435 20 30 EIEDRO N#CCSCCC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126098853 1020081565 /nfs/dbraw/zinc/08/15/65/1020081565.db2.gz FBROOVLBTASENX-ZDUSSCGKSA-N 1 0 345.295 4.093 20 30 EIEDRO CCOC(=O)CCCCCC[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001209349386 1020208707 /nfs/dbraw/zinc/20/87/07/1020208707.db2.gz ZTJYJLLSLBJVLB-UHFFFAOYSA-N 1 0 342.483 4.057 20 30 EIEDRO Cc1nsc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)c1C#N ZINC000339971381 1020208849 /nfs/dbraw/zinc/20/88/49/1020208849.db2.gz SNPWHLKDLXQYMF-AWEZNQCLSA-N 1 0 340.496 4.310 20 30 EIEDRO C[NH2+]Cc1cn(-c2nc(C)c(Cl)c(C)c2C#N)c2ccc(C)cc12 ZINC001167121114 1020249636 /nfs/dbraw/zinc/24/96/36/1020249636.db2.gz HFHITFKZFZZUEW-UHFFFAOYSA-N 1 0 338.842 4.195 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC001209441824 1020352204 /nfs/dbraw/zinc/35/22/04/1020352204.db2.gz KOXQMIGSNLLTFC-UHFFFAOYSA-N 1 0 328.500 4.361 20 30 EIEDRO C=CCCCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001209443983 1020354700 /nfs/dbraw/zinc/35/47/00/1020354700.db2.gz IZBPMAFWHIMVCL-RBUKOAKNSA-N 1 0 344.499 4.343 20 30 EIEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC001203388260 1020396148 /nfs/dbraw/zinc/39/61/48/1020396148.db2.gz QRMGOFPQOUPLLG-SFHVURJKSA-N 1 0 326.827 4.255 20 30 EIEDRO C#CC[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@@H]1CCc2ccccc21 ZINC001167178768 1020485749 /nfs/dbraw/zinc/48/57/49/1020485749.db2.gz KJFWRCQXNQPHEF-JQHSSLGASA-N 1 0 337.385 4.109 20 30 EIEDRO C#CC[N@@H+](Cc1c[nH]c(=O)c2ccccc12)[C@H]1CCc2ccccc21 ZINC001167179283 1020488132 /nfs/dbraw/zinc/48/81/32/1020488132.db2.gz YCUITRPELLUEQA-NRFANRHFSA-N 1 0 328.415 4.063 20 30 EIEDRO COc1cccc(C[N@@H+](Cc2ccc(C#N)c(F)c2)CC(C)C)c1 ZINC001167199120 1020534805 /nfs/dbraw/zinc/53/48/05/1020534805.db2.gz FDHKMDLEXUVCCT-UHFFFAOYSA-N 1 0 326.415 4.364 20 30 EIEDRO C#CC[N@@H+](CC(=O)N[C@H](CC)c1ccc(Cl)cc1)C1CCCCC1 ZINC001167273587 1020749517 /nfs/dbraw/zinc/74/95/17/1020749517.db2.gz MKHOHQDYFMPGMM-LJQANCHMSA-N 1 0 346.902 4.175 20 30 EIEDRO C[C@H](C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC001167288043 1020865981 /nfs/dbraw/zinc/86/59/81/1020865981.db2.gz WXEPOPDTOXZZQV-MRXNPFEDSA-N 1 0 329.463 4.036 20 30 EIEDRO Cc1nc(-c2ccc(CC[NH2+]Cc3ccc(C#N)s3)s2)cs1 ZINC000176943605 1020938319 /nfs/dbraw/zinc/93/83/19/1020938319.db2.gz YADXPSOUZCKKFR-UHFFFAOYSA-N 1 0 345.518 4.446 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176960614 1020939489 /nfs/dbraw/zinc/93/94/89/1020939489.db2.gz YKFYTEIQOGVJNN-CQSZACIVSA-N 1 0 345.899 4.198 20 30 EIEDRO C=C(C)C[N@@H+](CCOc1ccccc1F)Cc1cnn(C(C)C)c1 ZINC000512507341 1032942421 /nfs/dbraw/zinc/94/24/21/1032942421.db2.gz YHRRLFWSVWGFIX-UHFFFAOYSA-N 1 0 331.435 4.060 20 30 EIEDRO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001167302064 1020978953 /nfs/dbraw/zinc/97/89/53/1020978953.db2.gz GBPQEZQEOSWKJB-KRWDZBQOSA-N 1 0 335.407 4.236 20 30 EIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000340446029 1021041241 /nfs/dbraw/zinc/04/12/41/1021041241.db2.gz NDXRQNZYKKGWRL-LAUBAEHRSA-N 1 0 349.478 4.474 20 30 EIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000340448217 1021043678 /nfs/dbraw/zinc/04/36/78/1021043678.db2.gz RODPXWPLAQJRFU-MAUKXSAKSA-N 1 0 349.434 4.103 20 30 EIEDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000340451005 1021045876 /nfs/dbraw/zinc/04/58/76/1021045876.db2.gz YZOBWOUZUVSFTB-HSALFYBXSA-N 1 0 336.483 4.471 20 30 EIEDRO N#CCCC[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000340449738 1021046109 /nfs/dbraw/zinc/04/61/09/1021046109.db2.gz WPAFJIQGQTZTBB-JYJNAYRXSA-N 1 0 326.362 4.121 20 30 EIEDRO C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)c2ccc(C#N)s2)CC1 ZINC000134964350 1021048618 /nfs/dbraw/zinc/04/86/18/1021048618.db2.gz POBZZPASVJMKCV-JKSUJKDBSA-N 1 0 339.508 4.496 20 30 EIEDRO N#CC1(c2ccc(-n3ccc4cc(C[NH3+])cnc43)cc2)CCCCC1 ZINC001167313018 1021050983 /nfs/dbraw/zinc/05/09/83/1021050983.db2.gz DGRIEHSPGURCRI-UHFFFAOYSA-N 1 0 330.435 4.210 20 30 EIEDRO CC(C)[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000548944708 1021180382 /nfs/dbraw/zinc/18/03/82/1021180382.db2.gz IALAABIYODXFBV-APWZRJJASA-N 1 0 343.515 4.031 20 30 EIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610345875 1021343801 /nfs/dbraw/zinc/34/38/01/1021343801.db2.gz BCVQXTWKISGXIC-ROUUACIJSA-N 1 0 349.478 4.035 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001266555711 1021366985 /nfs/dbraw/zinc/36/69/85/1021366985.db2.gz RKNCSYGFMKJRDV-VAMGGRTRSA-N 1 0 340.511 4.006 20 30 EIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1nc(-c2ccc(F)cc2)no1 ZINC000376099927 1021446163 /nfs/dbraw/zinc/44/61/63/1021446163.db2.gz UQDPHZBPFJPYRY-CYBMUJFWSA-N 1 0 330.407 4.246 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000610359266 1021461603 /nfs/dbraw/zinc/46/16/03/1021461603.db2.gz HNDLROQXGFHXLG-QGZVFWFLSA-N 1 0 349.478 4.281 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCOc1cccc3ccccc31)CC2 ZINC000558493244 1021481149 /nfs/dbraw/zinc/48/11/49/1021481149.db2.gz LDKRUTZHTGRWHM-OAQYLSRUSA-N 1 0 328.415 4.367 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc(C#N)c1 ZINC000376163062 1021637188 /nfs/dbraw/zinc/63/71/88/1021637188.db2.gz AHDYMYMNIRACDW-ZBFHGGJFSA-N 1 0 341.405 4.014 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCCSc2ccc(F)cc2)O1 ZINC000376167234 1021642388 /nfs/dbraw/zinc/64/23/88/1021642388.db2.gz PETUVBKCLZPHOR-NXWXRZEISA-N 1 0 348.487 4.137 20 30 EIEDRO CC(C)c1nnc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000050027760 1021757699 /nfs/dbraw/zinc/75/76/99/1021757699.db2.gz WQWMERSVGXYYRJ-HNNXBMFYSA-N 1 0 344.484 4.162 20 30 EIEDRO C[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000580422890 1021778708 /nfs/dbraw/zinc/77/87/08/1021778708.db2.gz TXEOSNJLHUYMGF-CQSZACIVSA-N 1 0 341.842 4.233 20 30 EIEDRO COc1cc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)ccc1C#N ZINC000580253717 1021804105 /nfs/dbraw/zinc/80/41/05/1021804105.db2.gz KESSGPLZTVDBSL-UHFFFAOYSA-N 1 0 336.435 4.088 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000580738070 1021809990 /nfs/dbraw/zinc/80/99/90/1021809990.db2.gz WQGBDCRCRLFLJZ-HNNXBMFYSA-N 1 0 348.475 4.051 20 30 EIEDRO COC(=O)c1cccc(C[N@H+](C(C)C)[C@@H](C)c2ccccc2)c1C#N ZINC000580691080 1021811216 /nfs/dbraw/zinc/81/12/16/1021811216.db2.gz GZAPQUOEKHNDPE-INIZCTEOSA-N 1 0 336.435 4.316 20 30 EIEDRO CCCC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000581039690 1021826117 /nfs/dbraw/zinc/82/61/17/1021826117.db2.gz VSSNKZYXVOPNDZ-NRFANRHFSA-N 1 0 325.500 4.476 20 30 EIEDRO C#CCOc1ccc([C@H](C)NCc2coc(-c3ccccc3)n2)cc1 ZINC000177969715 1021835425 /nfs/dbraw/zinc/83/54/25/1021835425.db2.gz AYTUCNCXOFKICM-INIZCTEOSA-N 1 0 332.403 4.204 20 30 EIEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cccc(C#N)c1 ZINC000511491449 1021889901 /nfs/dbraw/zinc/88/99/01/1021889901.db2.gz BTPYKNRJRCQTAT-UHFFFAOYSA-N 1 0 348.425 4.152 20 30 EIEDRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(C)c(F)c(C)c1)C2 ZINC001143380001 1021895612 /nfs/dbraw/zinc/89/56/12/1021895612.db2.gz HNZQKCGBANLOBU-FPOVZHCZSA-N 1 0 347.474 4.016 20 30 EIEDRO C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431814106 1021896118 /nfs/dbraw/zinc/89/61/18/1021896118.db2.gz OHDVWTIIEXEMFC-PBHICJAKSA-N 1 0 340.858 4.072 20 30 EIEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001167386760 1021929300 /nfs/dbraw/zinc/92/93/00/1021929300.db2.gz IZSGYJZBMREGPB-QGZVFWFLSA-N 1 0 325.427 4.139 20 30 EIEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)[C@@H](O)c1ccccc1 ZINC000279937832 1033018711 /nfs/dbraw/zinc/01/87/11/1033018711.db2.gz BCPSTHNLXIECGF-CZAAIQMYSA-N 1 0 338.451 4.142 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000415679392 1022013007 /nfs/dbraw/zinc/01/30/07/1022013007.db2.gz YNYNLZHFPVDCFK-UYAOXDASSA-N 1 0 341.499 4.191 20 30 EIEDRO C=C(C)C[N@@H+](CCc1ccc2c(c1)CCO2)Cc1cnn(C(C)C)c1 ZINC000512531805 1033030283 /nfs/dbraw/zinc/03/02/83/1033030283.db2.gz JGKUHSFEIBXFFS-UHFFFAOYSA-N 1 0 339.483 4.020 20 30 EIEDRO CC[C@H]([NH2+][C@H](Cc1nc(C)no1)c1ccccc1)c1ccc(C#N)cc1 ZINC000278802046 1022214427 /nfs/dbraw/zinc/21/44/27/1022214427.db2.gz RFGCOIQLMANBFV-VQTJNVASSA-N 1 0 346.434 4.274 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415938141 1022257281 /nfs/dbraw/zinc/25/72/81/1022257281.db2.gz XQBLGCFXLKQWPH-UHFFFAOYSA-N 1 0 329.469 4.078 20 30 EIEDRO CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941821 1022349712 /nfs/dbraw/zinc/34/97/12/1022349712.db2.gz DHAJHMLTXJPZKS-DTORHVGOSA-N 1 0 337.254 4.055 20 30 EIEDRO C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000378106786 1022378675 /nfs/dbraw/zinc/37/86/75/1022378675.db2.gz ZKQZMXVWICRYAX-HKUYNNGSSA-N 1 0 346.902 4.217 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000414304348 1022455548 /nfs/dbraw/zinc/45/55/48/1022455548.db2.gz OPYKEGOFIVRPDH-ACBHZAAOSA-N 1 0 339.483 4.435 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000414307745 1022470292 /nfs/dbraw/zinc/47/02/92/1022470292.db2.gz RYKPESSAVPKEKI-HFXUHXBXSA-N 1 0 327.493 4.262 20 30 EIEDRO Cc1nc2c(s1)[C@@H]([NH2+]CCSCc1ccccc1C#N)CCC2 ZINC000177822727 1022533445 /nfs/dbraw/zinc/53/34/45/1022533445.db2.gz QKEWAVWXWHRDJD-INIZCTEOSA-N 1 0 343.521 4.224 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000186696998 1022720014 /nfs/dbraw/zinc/72/00/14/1022720014.db2.gz ZJZSWXUGYRUXBO-HOTGVXAUSA-N 1 0 328.481 4.023 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000580982824 1022778178 /nfs/dbraw/zinc/77/81/78/1022778178.db2.gz ZOPSCBWHFHYXMA-FGZHOGPDSA-N 1 0 333.479 4.218 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000365803282 1022878384 /nfs/dbraw/zinc/87/83/84/1022878384.db2.gz BADWVPLRQGRNPQ-XJKSGUPXSA-N 1 0 325.437 4.025 20 30 EIEDRO C=CCC[N@@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1 ZINC001141112295 1022921149 /nfs/dbraw/zinc/92/11/49/1022921149.db2.gz XPOUEDUMESUVGD-UHFFFAOYSA-N 1 0 331.872 4.434 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000162278270 1022965537 /nfs/dbraw/zinc/96/55/37/1022965537.db2.gz DEIGHYAJHUXESQ-GJZGRUSLSA-N 1 0 327.399 4.258 20 30 EIEDRO CC1(C)CCC[C@@H]1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001203209299 1022989978 /nfs/dbraw/zinc/98/99/78/1022989978.db2.gz ZFPHTDLUQRCGGB-HXUWFJFHSA-N 1 0 339.527 4.329 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1cccc(C#N)c1 ZINC000181388782 1023016839 /nfs/dbraw/zinc/01/68/39/1023016839.db2.gz JZKSPXPVPNAIEB-MAUKXSAKSA-N 1 0 325.481 4.107 20 30 EIEDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000581337313 1023035865 /nfs/dbraw/zinc/03/58/65/1023035865.db2.gz FPWAQHNXUSQDGA-QFIPXVFZSA-N 1 0 344.462 4.150 20 30 EIEDRO CCCCCCC/C=C/C[NH+]1CC2(C1)CCN(C(=O)NC(C)C)C2 ZINC001279482241 1023039062 /nfs/dbraw/zinc/03/90/62/1023039062.db2.gz WJDWIZUNURKOOV-ZHACJKMWSA-N 1 0 335.536 4.029 20 30 EIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(OC)c(C#N)c2)s1 ZINC000135097599 1023080803 /nfs/dbraw/zinc/08/08/03/1023080803.db2.gz LCYCLCUQJRELDX-CYBMUJFWSA-N 1 0 329.469 4.087 20 30 EIEDRO C[C@H](Nc1cccc2c1C1(C=C2)CC[NH2+]CC1)c1cccc(C#N)c1 ZINC001167710175 1023101372 /nfs/dbraw/zinc/10/13/72/1023101372.db2.gz MOMIHCPCSAYKKG-INIZCTEOSA-N 1 0 329.447 4.379 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(COC)o2)cc1 ZINC000468693192 1023109969 /nfs/dbraw/zinc/10/99/69/1023109969.db2.gz HZEYBBWYFJSLPB-LJQANCHMSA-N 1 0 327.424 4.328 20 30 EIEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000181449695 1023131209 /nfs/dbraw/zinc/13/12/09/1023131209.db2.gz LNEJWKGGTOUQTH-FHLIZLRMSA-N 1 0 338.455 4.159 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3nc(CC)sc32)cc1 ZINC000584670598 1023165047 /nfs/dbraw/zinc/16/50/47/1023165047.db2.gz JAKLPRQDDNJHGV-MRXNPFEDSA-N 1 0 328.481 4.438 20 30 EIEDRO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)o1 ZINC000510421244 1023167354 /nfs/dbraw/zinc/16/73/54/1023167354.db2.gz JUHCOQCSFKVBHR-UHFFFAOYSA-N 1 0 348.450 4.386 20 30 EIEDRO C=CCCC[C@@H](C(=O)NCC1CC[NH+](CCC)CC1)c1ccccc1 ZINC001143392935 1023194427 /nfs/dbraw/zinc/19/44/27/1023194427.db2.gz XAETUINYNTXBJY-OAQYLSRUSA-N 1 0 342.527 4.365 20 30 EIEDRO C[C@H](NC(=O)[C@@H]1CCn2ccnc2C1)c1cc2cccc(F)c2o1 ZINC000330036505 1023229281 /nfs/dbraw/zinc/22/92/81/1023229281.db2.gz YHVKCMPWDZXCIG-WCQYABFASA-N 1 0 327.359 4.049 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000181124040 1023231326 /nfs/dbraw/zinc/23/13/26/1023231326.db2.gz YWYBZSSWTNDJJE-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364071322 1023253012 /nfs/dbraw/zinc/25/30/12/1023253012.db2.gz YLGBOHVYXVWAGM-LJQANCHMSA-N 1 0 340.511 4.103 20 30 EIEDRO CC(C)C[C@H]([NH3+])c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000414611613 1023274993 /nfs/dbraw/zinc/27/49/93/1023274993.db2.gz CMHMNMPOCNDLKA-SFHVURJKSA-N 1 0 348.406 4.446 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC000417342145 1023278871 /nfs/dbraw/zinc/27/88/71/1023278871.db2.gz CEPSCDCFJDSYDZ-IRQNMHNUSA-N 1 0 332.447 4.252 20 30 EIEDRO CC[N@H+](CC(C)(C)CCC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511621022 1023287200 /nfs/dbraw/zinc/28/72/00/1023287200.db2.gz AXLZADADQGSMSN-UYAOXDASSA-N 1 0 327.516 4.474 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000417364704 1023289794 /nfs/dbraw/zinc/28/97/94/1023289794.db2.gz LOARBXMUPHWJAN-VLIAUNLRSA-N 1 0 337.442 4.492 20 30 EIEDRO CC(C)C[C@@H]([NH3+])c1noc(/C=C\c2cn(CCC#N)c3ccccc23)n1 ZINC000414619419 1023295061 /nfs/dbraw/zinc/29/50/61/1023295061.db2.gz OAUXYFHGHVZSOF-XZVRFQMRSA-N 1 0 349.438 4.154 20 30 EIEDRO N#Cc1ccc(Nc2cccc(-c3nc(C4([NH3+])CCCC4)no3)c2)cc1 ZINC000414623340 1023300404 /nfs/dbraw/zinc/30/04/04/1023300404.db2.gz DLDNNVSMNASNDQ-UHFFFAOYSA-N 1 0 345.406 4.080 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C2CC2)cc1 ZINC000073053031 1023320750 /nfs/dbraw/zinc/32/07/50/1023320750.db2.gz BZIMTUAWMPXICL-QFIPXVFZSA-N 1 0 349.478 4.286 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000377053935 1023360589 /nfs/dbraw/zinc/36/05/89/1023360589.db2.gz VUUIYGKENPUIGX-CQSZACIVSA-N 1 0 342.409 4.259 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000549143075 1023375291 /nfs/dbraw/zinc/37/52/91/1023375291.db2.gz UHSRPAWUZHDVCH-KRWDZBQOSA-N 1 0 348.494 4.152 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276373707 1023397424 /nfs/dbraw/zinc/39/74/24/1023397424.db2.gz DNYFPVAJPYVMAZ-RTBURBONSA-N 1 0 341.499 4.287 20 30 EIEDRO CC(C)C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000549161293 1023406797 /nfs/dbraw/zinc/40/67/97/1023406797.db2.gz ANCIQMLMHGHYNN-LAUBAEHRSA-N 1 0 349.478 4.112 20 30 EIEDRO N#Cc1c(NCC[N@@H+]2CCc3sccc3C2)cccc1C(F)F ZINC000584480076 1023417761 /nfs/dbraw/zinc/41/77/61/1023417761.db2.gz QMTHUJAGXSIABX-UHFFFAOYSA-N 1 0 333.407 4.028 20 30 EIEDRO C=CCCC1(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CCCC1 ZINC000656680978 1023428640 /nfs/dbraw/zinc/42/86/40/1023428640.db2.gz YHIDTNAMKRWMNE-MRXNPFEDSA-N 1 0 335.513 4.267 20 30 EIEDRO CCOC(=O)C1CCC([N@H+](CC)CC#Cc2ccc(Cl)cc2)CC1 ZINC000549187317 1023445642 /nfs/dbraw/zinc/44/56/42/1023445642.db2.gz LPIQUVPIPPMVGG-UHFFFAOYSA-N 1 0 347.886 4.135 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000174314890 1023532350 /nfs/dbraw/zinc/53/23/50/1023532350.db2.gz KXSBOKIBPCYEQJ-UHFFFAOYSA-N 1 0 327.241 4.050 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000418138343 1023554056 /nfs/dbraw/zinc/55/40/56/1023554056.db2.gz CSIAAOCCORVBRF-HXUWFJFHSA-N 1 0 348.446 4.299 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC(CCC#N)CC2)cc1)C(C)C ZINC000581668747 1023554501 /nfs/dbraw/zinc/55/45/01/1023554501.db2.gz QYILPULSGUFTNT-UHFFFAOYSA-N 1 0 341.499 4.073 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(Cl)c1 ZINC000418146994 1023565721 /nfs/dbraw/zinc/56/57/21/1023565721.db2.gz QGAISADOLLLHRQ-IBGZPJMESA-N 1 0 326.827 4.387 20 30 EIEDRO C=CCC[N@@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000276479785 1023576843 /nfs/dbraw/zinc/57/68/43/1023576843.db2.gz SRRXYFDJNJFHAF-NWDGAFQWSA-N 1 0 331.485 4.091 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+][C@H]2CCSc3c(F)cccc32)O1 ZINC000364287736 1023582151 /nfs/dbraw/zinc/58/21/51/1023582151.db2.gz CBYYHXLLBDTVMD-SAZZBMJHSA-N 1 0 346.471 4.192 20 30 EIEDRO CC(C)(C#N)CCCC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377648497 1023656857 /nfs/dbraw/zinc/65/68/57/1023656857.db2.gz ULJVUHNGPBDDOB-WMZOPIPTSA-N 1 0 334.891 4.068 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000103469042 1023684501 /nfs/dbraw/zinc/68/45/01/1023684501.db2.gz KHCDZXSEYMDWBU-HNNXBMFYSA-N 1 0 339.414 4.109 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000471699410 1023703854 /nfs/dbraw/zinc/70/38/54/1023703854.db2.gz YEKAWQXNPQKQTB-UHFFFAOYSA-N 1 0 342.270 4.194 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415586118 1023707392 /nfs/dbraw/zinc/70/73/92/1023707392.db2.gz VISOOSVIFIQLCU-RDJZCZTQSA-N 1 0 329.488 4.130 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000415584449 1023709413 /nfs/dbraw/zinc/70/94/13/1023709413.db2.gz SMBFVHXWGCXZSC-DOTOQJQBSA-N 1 0 329.488 4.130 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759845742 1023710216 /nfs/dbraw/zinc/71/02/16/1023710216.db2.gz SXPSANJABHMJLJ-IBGZPJMESA-N 1 0 346.833 4.295 20 30 EIEDRO CCSCCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000500379916 1023768619 /nfs/dbraw/zinc/76/86/19/1023768619.db2.gz WLFJLMNJCDXJJU-UHFFFAOYSA-N 1 0 340.492 4.370 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000188174791 1023823139 /nfs/dbraw/zinc/82/31/39/1023823139.db2.gz UJIXCBSFXDFHTK-LEWJYISDSA-N 1 0 340.511 4.213 20 30 EIEDRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(C#N)c(F)c1 ZINC000471771115 1023824022 /nfs/dbraw/zinc/82/40/22/1023824022.db2.gz NBZQOVRXDORANW-LBPRGKRZSA-N 1 0 334.341 4.192 20 30 EIEDRO Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc(C#N)n1 ZINC000341532498 1023834705 /nfs/dbraw/zinc/83/47/05/1023834705.db2.gz ORPNWLRABPHSSJ-INIZCTEOSA-N 1 0 334.467 4.106 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)c1 ZINC000510486476 1023847303 /nfs/dbraw/zinc/84/73/03/1023847303.db2.gz ADBNUKLSFVFXPK-DUXPYHPUSA-N 1 0 336.410 4.254 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(c3ccccn3)CCC2)CC1 ZINC000581900345 1023851605 /nfs/dbraw/zinc/85/16/05/1023851605.db2.gz UHLOPDJKSCQISW-UHFFFAOYSA-N 1 0 345.490 4.497 20 30 EIEDRO CC[NH+](CC)CCC[C@H](C)Nc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000432114948 1023883292 /nfs/dbraw/zinc/88/32/92/1023883292.db2.gz FMZKVWNXKBXTKR-ZDUSSCGKSA-N 1 0 346.425 4.307 20 30 EIEDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000047476531 1023910161 /nfs/dbraw/zinc/91/01/61/1023910161.db2.gz ZKZXWODECGRSHM-UHFFFAOYSA-N 1 0 333.435 4.042 20 30 EIEDRO N#CCC1(C[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000430733689 1023986674 /nfs/dbraw/zinc/98/66/74/1023986674.db2.gz JJBISNVWVBFFLO-SFHVURJKSA-N 1 0 325.843 4.302 20 30 EIEDRO C=CC[C@H]1CC[C@@H](Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1 ZINC000651764039 1023994421 /nfs/dbraw/zinc/99/44/21/1023994421.db2.gz ALKQQDOMTHLYPJ-DLBZAZTESA-N 1 0 329.488 4.042 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)C1 ZINC000651784246 1024017593 /nfs/dbraw/zinc/01/75/93/1024017593.db2.gz HXHNUUULFXDQGY-FMKPAKJESA-N 1 0 327.428 4.141 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)C1 ZINC000651784247 1024018971 /nfs/dbraw/zinc/01/89/71/1024018971.db2.gz HXHNUUULFXDQGY-IIAWOOMASA-N 1 0 327.428 4.141 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000651790267 1024023539 /nfs/dbraw/zinc/02/35/39/1024023539.db2.gz POTRMAPGQAGGEF-OBTMHIKCSA-N 1 0 330.438 4.126 20 30 EIEDRO C=CCOc1ccc(CNCc2[nH+]c(C(C)C)n3ccccc23)cc1 ZINC000651804476 1024043931 /nfs/dbraw/zinc/04/39/31/1024043931.db2.gz GGIXHLWPYTZQOP-UHFFFAOYSA-N 1 0 335.451 4.312 20 30 EIEDRO C=CC[C@@H]1CCCN([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380750 1024080637 /nfs/dbraw/zinc/08/06/37/1024080637.db2.gz OWZHPXRFEZBVIP-TZMCWYRMSA-N 1 0 331.485 4.363 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000661379095 1024082645 /nfs/dbraw/zinc/08/26/45/1024082645.db2.gz STGFPZBFJZFPDL-KGLIPLIRSA-N 1 0 340.389 4.321 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000651680208 1024182821 /nfs/dbraw/zinc/18/28/21/1024182821.db2.gz BDTMJCLIFMGVLK-JFIYKMOQSA-N 1 0 333.472 4.116 20 30 EIEDRO Cc1cc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccccc2)cc1 ZINC000027184040 1024202906 /nfs/dbraw/zinc/20/29/06/1024202906.db2.gz NVXXIZDBCYFDRF-UHFFFAOYSA-O 1 0 347.463 4.333 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000661118147 1024244304 /nfs/dbraw/zinc/24/43/04/1024244304.db2.gz WZJGDHGQVCUVQB-TZMCWYRMSA-N 1 0 343.496 4.110 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3csc(CC)n3)CC2)C1 ZINC000651714099 1024248936 /nfs/dbraw/zinc/24/89/36/1024248936.db2.gz PNEIBZITPZDLLU-FUHWJXTLSA-N 1 0 347.572 4.252 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000487359079 1024336387 /nfs/dbraw/zinc/33/63/87/1024336387.db2.gz DIUTWDXOHGJCFQ-GGPKGHCWSA-N 1 0 339.527 4.325 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510729554 1024352300 /nfs/dbraw/zinc/35/23/00/1024352300.db2.gz DNNMWZJBJDPESU-GOSISDBHSA-N 1 0 349.316 4.067 20 30 EIEDRO CCOc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccc1OC ZINC000341703219 1024355136 /nfs/dbraw/zinc/35/51/36/1024355136.db2.gz XRJHXRMYQSUTQG-IBGZPJMESA-N 1 0 336.435 4.133 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000341758506 1024615967 /nfs/dbraw/zinc/61/59/67/1024615967.db2.gz QFVIOWJATWPCFP-SFHVURJKSA-N 1 0 336.826 4.027 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000341758516 1024616410 /nfs/dbraw/zinc/61/64/10/1024616410.db2.gz QMUVNRNKKRTLOP-VBKZILBWSA-N 1 0 336.435 4.304 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2C)CCCC1 ZINC000661866672 1024617984 /nfs/dbraw/zinc/61/79/84/1024617984.db2.gz TXJFQGFMRJQSGN-UHFFFAOYSA-N 1 0 341.499 4.012 20 30 EIEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000610719296 1024718982 /nfs/dbraw/zinc/71/89/82/1024718982.db2.gz WHUJQMAEJYPFME-GHTZIAJQSA-N 1 0 338.426 4.297 20 30 EIEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000610719298 1024719208 /nfs/dbraw/zinc/71/92/08/1024719208.db2.gz WHUJQMAEJYPFME-RXVVDRJESA-N 1 0 338.426 4.297 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000187662882 1024799537 /nfs/dbraw/zinc/79/95/37/1024799537.db2.gz DTKLUOZOKIJGGP-AZUAARDMSA-N 1 0 325.500 4.063 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510944683 1024858114 /nfs/dbraw/zinc/85/81/14/1024858114.db2.gz PIZWSIMBUOKOAC-FVKWTLKZSA-N 1 0 333.273 4.356 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184649405 1024940573 /nfs/dbraw/zinc/94/05/73/1024940573.db2.gz BSLFUWQNBMFPAT-GJZGRUSLSA-N 1 0 345.512 4.045 20 30 EIEDRO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188473018 1024982991 /nfs/dbraw/zinc/98/29/91/1024982991.db2.gz BBLDTCZMEKFABW-YFVAEKQCSA-N 1 0 328.500 4.100 20 30 EIEDRO N#CCN1CCC([NH2+][C@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000610812668 1025005543 /nfs/dbraw/zinc/00/55/43/1025005543.db2.gz HPURFDFQXYVQEI-HSZRJFAPSA-N 1 0 347.506 4.328 20 30 EIEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000610812665 1025005855 /nfs/dbraw/zinc/00/58/55/1025005855.db2.gz HHZFEUJVCHKQSP-KRWDZBQOSA-N 1 0 349.478 4.001 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1Cl ZINC000610813423 1025028616 /nfs/dbraw/zinc/02/86/16/1025028616.db2.gz GUMRFTKNCYRBKS-INIZCTEOSA-N 1 0 326.271 4.022 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000610931069 1025146060 /nfs/dbraw/zinc/14/60/60/1025146060.db2.gz ZDCQFNYLFYRLFN-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)c(C#N)c2)cc1 ZINC000610991628 1025214287 /nfs/dbraw/zinc/21/42/87/1025214287.db2.gz UQHMYVADIQZTGW-FQEVSTJZSA-N 1 0 336.435 4.303 20 30 EIEDRO CC[N@H+](Cc1ccnc(C#N)c1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000610993861 1025231238 /nfs/dbraw/zinc/23/12/38/1025231238.db2.gz LDRGETRTIYCRMZ-FQEVSTJZSA-N 1 0 325.431 4.182 20 30 EIEDRO N#Cc1cc(CN2Cc3ccccc3C[C@H]2c2ccccc2)ccn1 ZINC000610994018 1025243051 /nfs/dbraw/zinc/24/30/51/1025243051.db2.gz RFFYABBUQRMWAQ-QFIPXVFZSA-N 1 0 325.415 4.253 20 30 EIEDRO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC001167499105 1025334651 /nfs/dbraw/zinc/33/46/51/1025334651.db2.gz BVUJKNUJEKODGR-XMSQKQJNSA-N 1 0 334.463 4.453 20 30 EIEDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167500921 1025360755 /nfs/dbraw/zinc/36/07/55/1025360755.db2.gz XQDLOEFKYUHWRD-HOCLYGCPSA-N 1 0 347.890 4.016 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)s1 ZINC000538398836 1025385952 /nfs/dbraw/zinc/38/59/52/1025385952.db2.gz UNLUACMCQOKALD-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO CC1CC[NH+](CCc2cccc(NCc3ccc(C#N)cc3)c2)CC1 ZINC000538775802 1025548839 /nfs/dbraw/zinc/54/88/39/1025548839.db2.gz JJBCMFYJKBVKTM-UHFFFAOYSA-N 1 0 333.479 4.445 20 30 EIEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538957151 1025699561 /nfs/dbraw/zinc/69/95/61/1025699561.db2.gz OXGMZCUZKRQOQO-KGLIPLIRSA-N 1 0 345.512 4.090 20 30 EIEDRO C=C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512029525 1025793190 /nfs/dbraw/zinc/79/31/90/1025793190.db2.gz CTSZOQADEVKDMY-ZJUUUORDSA-N 1 0 334.769 4.240 20 30 EIEDRO N#CCSCCC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157060313 1025806492 /nfs/dbraw/zinc/80/64/92/1025806492.db2.gz SMRHLBBZMRNRPI-HNNXBMFYSA-N 1 0 338.904 4.078 20 30 EIEDRO COc1ncc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1Cl ZINC000585765083 1025827766 /nfs/dbraw/zinc/82/77/66/1025827766.db2.gz FIMKLYJCNAQMEC-SNVBAGLBSA-N 1 0 336.222 4.119 20 30 EIEDRO C=CC[N@H+](CCc1ccccc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000512050907 1025846958 /nfs/dbraw/zinc/84/69/58/1025846958.db2.gz FPHVRPRIECVQBP-UHFFFAOYSA-N 1 0 345.446 4.500 20 30 EIEDRO C=CCC[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000187484556 1025864452 /nfs/dbraw/zinc/86/44/52/1025864452.db2.gz GNHXUHXLNNDNFK-NRFANRHFSA-N 1 0 336.479 4.114 20 30 EIEDRO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC(C)(C)C1 ZINC000344082855 1025977864 /nfs/dbraw/zinc/97/78/64/1025977864.db2.gz SDLCFNCWKOWMGV-INIZCTEOSA-N 1 0 337.467 4.106 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2CC#N)cc1)C(C)C ZINC000550084409 1026028690 /nfs/dbraw/zinc/02/86/90/1026028690.db2.gz QBDQAHLZXHWETG-UHFFFAOYSA-N 1 0 335.451 4.235 20 30 EIEDRO COc1ccc(C2([NH2+]Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000344189181 1026114866 /nfs/dbraw/zinc/11/48/66/1026114866.db2.gz YWAQJJNYYMSROI-UHFFFAOYSA-N 1 0 336.435 4.157 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCC1 ZINC000551406393 1026169479 /nfs/dbraw/zinc/16/94/79/1026169479.db2.gz GQHQIYNYUMKAIC-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1cccc(C#N)c1 ZINC000182086217 1026211978 /nfs/dbraw/zinc/21/19/78/1026211978.db2.gz MQGKRPHDPNSWDT-LSDHHAIUSA-N 1 0 332.407 4.063 20 30 EIEDRO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCCC#N ZINC000344349393 1026267876 /nfs/dbraw/zinc/26/78/76/1026267876.db2.gz HTVPZNYUCLOLKR-UHFFFAOYSA-N 1 0 330.435 4.241 20 30 EIEDRO CC1(C)SC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000571899053 1026294358 /nfs/dbraw/zinc/29/43/58/1026294358.db2.gz VIGPEKGMSNMDPG-IBGZPJMESA-N 1 0 338.476 4.121 20 30 EIEDRO CC(C)(C)C1=CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279340134 1026384722 /nfs/dbraw/zinc/38/47/22/1026384722.db2.gz DWQYLRBXRSODEA-UHFFFAOYSA-N 1 0 349.482 4.037 20 30 EIEDRO N#Cc1cc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)ccc1F ZINC000279350556 1026387290 /nfs/dbraw/zinc/38/72/90/1026387290.db2.gz VLVRWJUZMHPMHB-UHFFFAOYSA-N 1 0 342.389 4.018 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1Cl ZINC000608064167 1026427908 /nfs/dbraw/zinc/42/79/08/1026427908.db2.gz XQEAPKQRKBCNBC-QGTPRVQTSA-N 1 0 335.875 4.198 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000344537560 1026438029 /nfs/dbraw/zinc/43/80/29/1026438029.db2.gz SCHGHWCGHYDXAA-UHFFFAOYSA-N 1 0 325.456 4.168 20 30 EIEDRO C[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587638 1026477080 /nfs/dbraw/zinc/47/70/80/1026477080.db2.gz KMMXLCBQIPHZAN-MGPUTAFESA-N 1 0 348.425 4.065 20 30 EIEDRO C=CC[NH+]1CCC(N[C@@H](c2cccc(OC(C)C)c2)C(F)F)CC1 ZINC000684835868 1026504778 /nfs/dbraw/zinc/50/47/78/1026504778.db2.gz LAFIFDZKUCVILX-SFHVURJKSA-N 1 0 338.442 4.020 20 30 EIEDRO C[N@H+](CC#Cc1ccccc1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511106458 1026515950 /nfs/dbraw/zinc/51/59/50/1026515950.db2.gz IHRCCJMHEMDWFF-UHFFFAOYSA-N 1 0 333.353 4.111 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)C1 ZINC000279619355 1026551231 /nfs/dbraw/zinc/55/12/31/1026551231.db2.gz YDVXDMJKZAJZES-GOEBONIOSA-N 1 0 325.387 4.185 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000092758863 1026597659 /nfs/dbraw/zinc/59/76/59/1026597659.db2.gz QPTHDNKQCLGNNQ-UHFFFAOYSA-N 1 0 327.468 4.012 20 30 EIEDRO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)c(-c2ccnn2C)c1 ZINC000338918514 1026642440 /nfs/dbraw/zinc/64/24/40/1026642440.db2.gz AGDSXRQXKPWYHX-UHFFFAOYSA-N 1 0 348.425 4.038 20 30 EIEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512313366 1026683182 /nfs/dbraw/zinc/68/31/82/1026683182.db2.gz IPYIMLBUPBYWHI-VYDXJSESSA-N 1 0 329.463 4.001 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c2ccccc2)c1 ZINC000015372017 1026713113 /nfs/dbraw/zinc/71/31/13/1026713113.db2.gz VBVAAFFJGRSWOS-LJQANCHMSA-N 1 0 349.478 4.243 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1Cl ZINC000500479319 1026778551 /nfs/dbraw/zinc/77/85/51/1026778551.db2.gz AQZVZDIDCUMTQG-UKRRQHHQSA-N 1 0 331.790 4.155 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000418671417 1026789659 /nfs/dbraw/zinc/78/96/59/1026789659.db2.gz LNFGXUWADLAJFT-HXUWFJFHSA-N 1 0 343.515 4.245 20 30 EIEDRO N#Cc1cc(F)c(NCc2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC000500519054 1026813745 /nfs/dbraw/zinc/81/37/45/1026813745.db2.gz OGMZPQBAIAZYGM-UHFFFAOYSA-N 1 0 341.405 4.434 20 30 EIEDRO CC(C)C[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000342663352 1026822779 /nfs/dbraw/zinc/82/27/79/1026822779.db2.gz QDXLVLPEHZTDQP-KRWDZBQOSA-N 1 0 337.467 4.106 20 30 EIEDRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000479569667 1026841342 /nfs/dbraw/zinc/84/13/42/1026841342.db2.gz WBYYFYXSBXRUIK-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO CC1(C)[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000507649519 1026861113 /nfs/dbraw/zinc/86/11/13/1026861113.db2.gz LXJPXCPKRXJGQL-KQCCSTQCSA-N 1 0 338.495 4.184 20 30 EIEDRO CC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCOCC1 ZINC000507649056 1026861848 /nfs/dbraw/zinc/86/18/48/1026861848.db2.gz JDFVALNOXILJGN-NYLDSWQDSA-N 1 0 326.484 4.185 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277749586 1026866027 /nfs/dbraw/zinc/86/60/27/1026866027.db2.gz IXFZBMZIHNWPAT-DOMZBBRYSA-N 1 0 348.372 4.241 20 30 EIEDRO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC(C)(C)C#N ZINC000375724725 1026893200 /nfs/dbraw/zinc/89/32/00/1026893200.db2.gz MSMBMPUUVJCACN-OSYLJGHBSA-N 1 0 349.519 4.227 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1 ZINC000342730455 1026909425 /nfs/dbraw/zinc/90/94/25/1026909425.db2.gz LZNUCHUXGCUVHS-UHFFFAOYSA-N 1 0 330.435 4.009 20 30 EIEDRO CC(C)(C)C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000342736373 1026919668 /nfs/dbraw/zinc/91/96/68/1026919668.db2.gz WXZYYHISGJZVDI-LJQANCHMSA-N 1 0 332.451 4.473 20 30 EIEDRO C=CC[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1cccs1 ZINC000247987235 1026930973 /nfs/dbraw/zinc/93/09/73/1026930973.db2.gz IXRTXSKCXOVYFX-UHFFFAOYSA-N 1 0 348.899 4.096 20 30 EIEDRO CSCC[C@@H](C)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440608246 1026970720 /nfs/dbraw/zinc/97/07/20/1026970720.db2.gz IEABXXVEQWCEJN-CYBMUJFWSA-N 1 0 331.403 4.010 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000415586439 1026994406 /nfs/dbraw/zinc/99/44/06/1026994406.db2.gz VTJUMROOTDUGRI-CRAIPNDOSA-N 1 0 329.488 4.272 20 30 EIEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245766 1026999462 /nfs/dbraw/zinc/99/94/62/1026999462.db2.gz ZYJTYMIJLFAQIX-FUHIMQAGSA-N 1 0 349.478 4.391 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCCN(Cc4cccc(F)c4C#N)C3)nc2c1 ZINC000428296949 1027183698 /nfs/dbraw/zinc/18/36/98/1027183698.db2.gz ZAGWRFBQWRLGIU-INIZCTEOSA-N 1 0 348.425 4.262 20 30 EIEDRO C=CCC[N@@H+](CCc1c(Cl)ncnc1Cl)Cc1ccccc1 ZINC001207327290 1027239364 /nfs/dbraw/zinc/23/93/64/1027239364.db2.gz CBIOONHRCKFPQM-UHFFFAOYSA-N 1 0 336.266 4.404 20 30 EIEDRO Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000485331762 1027253806 /nfs/dbraw/zinc/25/38/06/1027253806.db2.gz OEIWRWWXQQEVLK-UWJYYQICSA-N 1 0 347.462 4.021 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cc1 ZINC000135679624 1027299703 /nfs/dbraw/zinc/29/97/03/1027299703.db2.gz OSXJQOHJVDVGIC-UHFFFAOYSA-N 1 0 335.270 4.407 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000611717628 1027303465 /nfs/dbraw/zinc/30/34/65/1027303465.db2.gz ATEFYZZLCGEDLW-UHFFFAOYSA-N 1 0 349.544 4.100 20 30 EIEDRO C=C(C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000474611167 1027305819 /nfs/dbraw/zinc/30/58/19/1027305819.db2.gz AUOFFIBVMXQQAB-IAGOWNOFSA-N 1 0 325.452 4.499 20 30 EIEDRO C[N@@H+]1CCC[C@@H](CNc2ncc(C#N)cc2Cl)[C@@H]1c1cccs1 ZINC000078338081 1027322658 /nfs/dbraw/zinc/32/26/58/1027322658.db2.gz NIOGMOUBBWHYAO-XJKSGUPXSA-N 1 0 346.887 4.163 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(Cl)cc2Br)CCOCC1 ZINC000657633135 1027348118 /nfs/dbraw/zinc/34/81/18/1027348118.db2.gz IHQNUHXEFAWAIL-UHFFFAOYSA-N 1 0 344.680 4.317 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(COC)cs2)cc1Cl ZINC000657659211 1027438582 /nfs/dbraw/zinc/43/85/82/1027438582.db2.gz RFYVYAPOKSEREX-UHFFFAOYSA-N 1 0 337.872 4.403 20 30 EIEDRO C=CC[N@@H+](CCC(C)(C)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441318382 1027444520 /nfs/dbraw/zinc/44/45/20/1027444520.db2.gz OLMJIYDVALVYDM-INIZCTEOSA-N 1 0 327.476 4.038 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(OC)c1 ZINC000327161404 1027448182 /nfs/dbraw/zinc/44/81/82/1027448182.db2.gz XAQLLGNPKNFUAW-CABCVRRESA-N 1 0 340.423 4.018 20 30 EIEDRO C=C1CCC(C(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)CC1 ZINC000897300027 1027457456 /nfs/dbraw/zinc/45/74/56/1027457456.db2.gz VCMWSBKROBVPJO-UHFFFAOYSA-N 1 0 332.532 4.093 20 30 EIEDRO C[C@H](C[NH2+]CC1CCC(C#N)CC1)c1cccc(Br)c1 ZINC000441332144 1027467888 /nfs/dbraw/zinc/46/78/88/1027467888.db2.gz JBNMBIPTAJUMTJ-WLYUNCDWSA-N 1 0 335.289 4.472 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000441362786 1027481356 /nfs/dbraw/zinc/48/13/56/1027481356.db2.gz VLHFIXHDZMQRFV-UHFFFAOYSA-N 1 0 344.462 4.445 20 30 EIEDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC1CCC(C#N)CC1 ZINC000441372653 1027495849 /nfs/dbraw/zinc/49/58/49/1027495849.db2.gz YENZZBURFXGTIL-UHFFFAOYSA-N 1 0 342.874 4.254 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)C1CCC(C(F)(F)F)CC1 ZINC000474803112 1027522898 /nfs/dbraw/zinc/52/28/98/1027522898.db2.gz XYCPKXZRSFPMPY-JEYLPNPQSA-N 1 0 340.389 4.284 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccccc2)c1C ZINC000475527642 1027571460 /nfs/dbraw/zinc/57/14/60/1027571460.db2.gz DEWOLKFQDRNHDT-UHFFFAOYSA-N 1 0 349.478 4.075 20 30 EIEDRO Cc1noc(C)c1C(C)(C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000329213524 1027653940 /nfs/dbraw/zinc/65/39/40/1027653940.db2.gz JPKQHHKVXRJSAX-OAHLLOKOSA-N 1 0 333.476 4.138 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)C12CCCC2 ZINC000329297918 1027705553 /nfs/dbraw/zinc/70/55/53/1027705553.db2.gz UBSDZLPNSNBZPY-ZJPYXAASSA-N 1 0 336.520 4.238 20 30 EIEDRO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000329300642 1027709696 /nfs/dbraw/zinc/70/96/96/1027709696.db2.gz VSDIAFXNPOINQC-IKGGRYGDSA-N 1 0 337.508 4.131 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)CC2 ZINC000582934125 1027716118 /nfs/dbraw/zinc/71/61/18/1027716118.db2.gz BSQLGSHVZXJTJR-HSALFYBXSA-N 1 0 338.838 4.319 20 30 EIEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)c2cccs2)cc1Cl ZINC000262528901 1027736077 /nfs/dbraw/zinc/73/60/77/1027736077.db2.gz MLADOJKYBANHEC-UHFFFAOYSA-N 1 0 337.876 4.115 20 30 EIEDRO Cc1nc(C2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCCCCC2)no1 ZINC000329359001 1027748472 /nfs/dbraw/zinc/74/84/72/1027748472.db2.gz XHQYXBFIKGOFCR-OAHLLOKOSA-N 1 0 348.491 4.149 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CCC(C)C)CC1 ZINC000473962079 1027754292 /nfs/dbraw/zinc/75/42/92/1027754292.db2.gz XZAQYMVIGPTBQL-IBGZPJMESA-N 1 0 335.536 4.027 20 30 EIEDRO C=CCCC1(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000474899461 1027768856 /nfs/dbraw/zinc/76/88/56/1027768856.db2.gz MWEOGJQYSFZPHD-UHFFFAOYSA-N 1 0 340.511 4.281 20 30 EIEDRO CCC(CC)(CO)CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000305248404 1027791863 /nfs/dbraw/zinc/79/18/63/1027791863.db2.gz ICPVXTLRNPXXME-UHFFFAOYSA-N 1 0 341.455 4.004 20 30 EIEDRO CCC[NH+]1CCC(CNC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328757872 1027803135 /nfs/dbraw/zinc/80/31/35/1027803135.db2.gz VJRDEAHAYSWZRX-UHFFFAOYSA-N 1 0 333.476 4.149 20 30 EIEDRO C[N@H+](CCc1ccccc1F)Cc1cc(Br)ccc1C#N ZINC001141907582 1027808065 /nfs/dbraw/zinc/80/80/65/1027808065.db2.gz GVRNUZHPZHHCNJ-UHFFFAOYSA-N 1 0 347.231 4.134 20 30 EIEDRO C[N@H+](CCc1cccc(F)c1)Cc1cc(Br)ccc1C#N ZINC001141907656 1027808848 /nfs/dbraw/zinc/80/88/48/1027808848.db2.gz IQSQPHSQIUQBCJ-UHFFFAOYSA-N 1 0 347.231 4.134 20 30 EIEDRO CC1(C)CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)(C(N)=O)CC1 ZINC000328877116 1027824282 /nfs/dbraw/zinc/82/42/82/1027824282.db2.gz IJDQABISBYKBTL-HNNXBMFYSA-N 1 0 349.519 4.472 20 30 EIEDRO CSc1ccccc1[C@@H](C)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000330374945 1027845048 /nfs/dbraw/zinc/84/50/48/1027845048.db2.gz CJXBIVYDUVMCNJ-CYBMUJFWSA-N 1 0 349.544 4.282 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000536302065 1027860763 /nfs/dbraw/zinc/86/07/63/1027860763.db2.gz JXQHSSPNFFLFSS-KRWDZBQOSA-N 1 0 325.283 4.221 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166653395 1027865071 /nfs/dbraw/zinc/86/50/71/1027865071.db2.gz OVMFXAFMDVAORR-PNHOKKKMSA-N 1 0 343.854 4.127 20 30 EIEDRO CCCOc1ccc(C[NH2+]Cc2cccc(C#N)c2)c(OC(F)F)c1 ZINC000152025457 1027898180 /nfs/dbraw/zinc/89/81/80/1027898180.db2.gz DYAYFCNVEFJEKY-UHFFFAOYSA-N 1 0 346.377 4.238 20 30 EIEDRO CCC[N@H+](CCCCC(C)(C)C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000444655528 1027928030 /nfs/dbraw/zinc/92/80/30/1027928030.db2.gz WCCDEFBSIOSZKY-QGZVFWFLSA-N 1 0 329.488 4.446 20 30 EIEDRO CC(C)[N@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccc(F)cc1 ZINC000444657651 1027928114 /nfs/dbraw/zinc/92/81/14/1027928114.db2.gz LQHPPEFONOUWSY-UHFFFAOYSA-N 1 0 333.451 4.195 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000444640546 1027934451 /nfs/dbraw/zinc/93/44/51/1027934451.db2.gz NTQURLZQYGXQKQ-HXUWFJFHSA-N 1 0 328.500 4.430 20 30 EIEDRO C[C@@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccon1 ZINC000444670493 1027951422 /nfs/dbraw/zinc/95/14/22/1027951422.db2.gz ITIYSBFNAVUUJV-QGZVFWFLSA-N 1 0 331.419 4.225 20 30 EIEDRO N#Cc1csc(CN2CCC[C@H](CCCc3ccccc3)C2)n1 ZINC000572926965 1027954494 /nfs/dbraw/zinc/95/44/94/1027954494.db2.gz WSLHSSBXWXJOBB-KRWDZBQOSA-N 1 0 325.481 4.250 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)ccc1OC ZINC000128134352 1028082032 /nfs/dbraw/zinc/08/20/32/1028082032.db2.gz XKVHAUZIVFZVNQ-OALUTQOASA-N 1 0 347.499 4.071 20 30 EIEDRO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000150786631 1028106062 /nfs/dbraw/zinc/10/60/62/1028106062.db2.gz XSXBZYXPXQHHQK-NQIIRXRSSA-N 1 0 340.511 4.266 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)cc1 ZINC000657741561 1028216831 /nfs/dbraw/zinc/21/68/31/1028216831.db2.gz HFWMSNCQXGOOFH-SFTDATJTSA-N 1 0 325.452 4.099 20 30 EIEDRO Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000330166866 1028218022 /nfs/dbraw/zinc/21/80/22/1028218022.db2.gz YKFQBQUFWBUCBO-OAHLLOKOSA-N 1 0 326.444 4.238 20 30 EIEDRO C[C@@H]([NH2+]C1(CNC(=O)C2(C)CCC2)CCOCC1)c1ccccc1 ZINC000330245854 1028239153 /nfs/dbraw/zinc/23/91/53/1028239153.db2.gz XZIVXQUNGOQXBE-MRXNPFEDSA-N 1 0 330.472 4.033 20 30 EIEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000330291651 1028270486 /nfs/dbraw/zinc/27/04/86/1028270486.db2.gz GQZCXYIMRYQDAD-KRWDZBQOSA-N 1 0 340.471 4.342 20 30 EIEDRO CCC(CC)CN(CCC#N)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000346160301 1028297011 /nfs/dbraw/zinc/29/70/11/1028297011.db2.gz WASDAEPAPAANGK-UHFFFAOYSA-N 1 0 348.560 4.061 20 30 EIEDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(C#N)c(F)c1 ZINC000346221203 1028332872 /nfs/dbraw/zinc/33/28/72/1028332872.db2.gz VJCDYOWCJNAATK-GFCCVEGCSA-N 1 0 325.362 4.211 20 30 EIEDRO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC(C)(C)C1 ZINC000346339298 1028391095 /nfs/dbraw/zinc/39/10/95/1028391095.db2.gz RZTNJFVAOJBHBN-QGZVFWFLSA-N 1 0 336.483 4.332 20 30 EIEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000330316977 1028410264 /nfs/dbraw/zinc/41/02/64/1028410264.db2.gz ZTNNSUPTDCGHFJ-LBPRGKRZSA-N 1 0 349.500 4.151 20 30 EIEDRO FC(F)C(F)(F)COCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000346626640 1028557507 /nfs/dbraw/zinc/55/75/07/1028557507.db2.gz XSQSOWVPUKGGHV-NSHDSACASA-N 1 0 347.274 4.187 20 30 EIEDRO FC(F)C(F)(F)COCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000346626639 1028557665 /nfs/dbraw/zinc/55/76/65/1028557665.db2.gz XSQSOWVPUKGGHV-LLVKDONJSA-N 1 0 347.274 4.187 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000583353157 1028568124 /nfs/dbraw/zinc/56/81/24/1028568124.db2.gz FVYBMSDDTIQGIF-LLVKDONJSA-N 1 0 349.312 4.336 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000281375046 1028578494 /nfs/dbraw/zinc/57/84/94/1028578494.db2.gz NZDQYVZKHLZCSL-HNNXBMFYSA-N 1 0 347.459 4.411 20 30 EIEDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000346664576 1028585321 /nfs/dbraw/zinc/58/53/21/1028585321.db2.gz BGRAQJCIULQPSL-ICSRJNTNSA-N 1 0 330.472 4.052 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N(CC)CC)cc1)c1ccc(C#N)cc1 ZINC000278218537 1028588878 /nfs/dbraw/zinc/58/88/78/1028588878.db2.gz ISRFHITZZXCVKC-OAQYLSRUSA-N 1 0 349.478 4.281 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]CCCC#N)cnn1-c1ccc(Cl)cc1Cl ZINC000346806043 1028665249 /nfs/dbraw/zinc/66/52/49/1028665249.db2.gz AJSDXZALEJDLME-LLVKDONJSA-N 1 0 337.254 4.442 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@@H](C)C1CCCCC1 ZINC000161706411 1028709576 /nfs/dbraw/zinc/70/95/76/1028709576.db2.gz VLHUTXTXAPQGER-SJORKVTESA-N 1 0 340.515 4.117 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000161719476 1028733352 /nfs/dbraw/zinc/73/33/52/1028733352.db2.gz JYELOLDQQGNOJD-FQEVSTJZSA-N 1 0 340.515 4.261 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000281627118 1028816359 /nfs/dbraw/zinc/81/63/59/1028816359.db2.gz HZIYKBXFLFLIDD-UHFFFAOYSA-N 1 0 325.225 4.008 20 30 EIEDRO CCCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000524252703 1028817226 /nfs/dbraw/zinc/81/72/26/1028817226.db2.gz WRCGOVRSQHMBLJ-SFHVURJKSA-N 1 0 349.478 4.038 20 30 EIEDRO CC[N@H+](Cc1ccccc1C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343266961 1028833679 /nfs/dbraw/zinc/83/36/79/1028833679.db2.gz NEFQGYZCIHIMER-IBGZPJMESA-N 1 0 349.478 4.152 20 30 EIEDRO CCOc1cccc(C[NH2+]CC2CCC(C#N)CC2)c1OC(F)F ZINC000281757088 1028858056 /nfs/dbraw/zinc/85/80/56/1028858056.db2.gz RKVJBLZGPDOINC-UHFFFAOYSA-N 1 0 338.398 4.106 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[NH2+][C@H](c2cccnc2)C2CC2)cc1 ZINC000445805090 1028899066 /nfs/dbraw/zinc/89/90/66/1028899066.db2.gz GKTHXRFYTDSUKV-SFHVURJKSA-N 1 0 346.352 4.073 20 30 EIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)[C@H](C)c1cccc(OC)c1 ZINC000281934299 1028985519 /nfs/dbraw/zinc/98/55/19/1028985519.db2.gz IGYQUTVIWVUAKB-QGZVFWFLSA-N 1 0 330.472 4.179 20 30 EIEDRO Cc1ccc(C(C)(C)C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000444165110 1029029454 /nfs/dbraw/zinc/02/94/54/1029029454.db2.gz FYNLGIUEEVRAPP-UHFFFAOYSA-N 1 0 349.478 4.105 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445994546 1029060486 /nfs/dbraw/zinc/06/04/86/1029060486.db2.gz WXTVQMDFVPFLLL-YESZJQIVSA-N 1 0 327.390 4.258 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000446001071 1029065849 /nfs/dbraw/zinc/06/58/49/1029065849.db2.gz GXEWSCMFWXUESM-YSVLISHTSA-N 1 0 327.390 4.258 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000446001069 1029067199 /nfs/dbraw/zinc/06/71/99/1029067199.db2.gz GXEWSCMFWXUESM-LXZKKBNFSA-N 1 0 327.390 4.258 20 30 EIEDRO C=CCn1c(SCC[NH+]2CCC(C)CC2)nnc1-c1cccs1 ZINC000428333147 1029071984 /nfs/dbraw/zinc/07/19/84/1029071984.db2.gz JZUSIGVKVQAJLQ-UHFFFAOYSA-N 1 0 348.541 4.017 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)c2cccc(C)c2)cc1OC ZINC000524636891 1029136254 /nfs/dbraw/zinc/13/62/54/1029136254.db2.gz WLLNNFVBIPEAGZ-QGZVFWFLSA-N 1 0 325.452 4.462 20 30 EIEDRO C=CCC(CC=C)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000247625542 1029374343 /nfs/dbraw/zinc/37/43/43/1029374343.db2.gz UGQWTKNHMQQFDE-WGMWDUQUSA-N 1 0 340.511 4.028 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000192739077 1029383441 /nfs/dbraw/zinc/38/34/41/1029383441.db2.gz MDEDADCTJWHGDD-HUUCEWRRSA-N 1 0 348.372 4.063 20 30 EIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C12CCCCC2 ZINC000525127885 1029466642 /nfs/dbraw/zinc/46/66/42/1029466642.db2.gz QXBXILBZSWDVNV-RBUKOAKNSA-N 1 0 330.447 4.257 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446582064 1029477967 /nfs/dbraw/zinc/47/79/67/1029477967.db2.gz WBSJUPPMSMZFPR-UHFFFAOYSA-N 1 0 343.496 4.072 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccsc1Cl)C(C)C ZINC000446586089 1029482187 /nfs/dbraw/zinc/48/21/87/1029482187.db2.gz MFNKXOPIOXATCQ-CQSZACIVSA-N 1 0 341.908 4.222 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000151398633 1029509142 /nfs/dbraw/zinc/50/91/42/1029509142.db2.gz VYDILRAISCQZRD-KRWDZBQOSA-N 1 0 332.325 4.234 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)c(F)c1 ZINC000525271792 1029544456 /nfs/dbraw/zinc/54/44/56/1029544456.db2.gz QIBYEALUKCVOPU-UHFFFAOYSA-N 1 0 330.447 4.259 20 30 EIEDRO Cc1ccc(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)s1 ZINC000475352737 1029565257 /nfs/dbraw/zinc/56/52/57/1029565257.db2.gz CWNXQYPIXUIBKK-SFHVURJKSA-N 1 0 345.899 4.092 20 30 EIEDRO CC(C)c1cccc2c1CC[N@H+](CCC(=O)Nc1ccccc1C#N)C2 ZINC000475410176 1029620965 /nfs/dbraw/zinc/62/09/65/1029620965.db2.gz LCJNFCLOQIBDGL-UHFFFAOYSA-N 1 0 347.462 4.069 20 30 EIEDRO C[C@@H]1CC([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@@H](C)N1Cc1ccccc1 ZINC001168065491 1029649387 /nfs/dbraw/zinc/64/93/87/1029649387.db2.gz WVKCOWHLGPHQAB-FLTCSQOGSA-N 1 0 337.511 4.195 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000192945524 1029651055 /nfs/dbraw/zinc/65/10/55/1029651055.db2.gz VQDHBYFBXDUGAL-CYBMUJFWSA-N 1 0 332.350 4.041 20 30 EIEDRO N#Cc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)c(Br)c1 ZINC000278677669 1029676574 /nfs/dbraw/zinc/67/65/74/1029676574.db2.gz IPQQRMYOQAQSBG-NSHDSACASA-N 1 0 347.178 4.095 20 30 EIEDRO CC#CC[N@@H+](CC)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000525634494 1029717700 /nfs/dbraw/zinc/71/77/00/1029717700.db2.gz XYOZQXQHYGRXDM-UHFFFAOYSA-N 1 0 329.465 4.181 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248626245 1029730457 /nfs/dbraw/zinc/73/04/57/1029730457.db2.gz OCDPIWFCCXTALR-SESVDKBCSA-N 1 0 340.511 4.102 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000121305813 1029756722 /nfs/dbraw/zinc/75/67/22/1029756722.db2.gz DUNXFAIRHPPLDY-QGZVFWFLSA-N 1 0 347.418 4.088 20 30 EIEDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000151888727 1029835556 /nfs/dbraw/zinc/83/55/56/1029835556.db2.gz DYBJVZMYKXDQON-HXUWFJFHSA-N 1 0 336.435 4.155 20 30 EIEDRO Cc1nccn1-c1ccc([C@H](C)Nc2ccc(Cl)c(C#N)n2)cc1 ZINC000086187683 1029839154 /nfs/dbraw/zinc/83/91/54/1029839154.db2.gz LFNCBSHIUUYFME-LBPRGKRZSA-N 1 0 337.814 4.274 20 30 EIEDRO C=CCC[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000090580645 1029867413 /nfs/dbraw/zinc/86/74/13/1029867413.db2.gz JBVWRGPTPAFONW-JOCHJYFZSA-N 1 0 335.495 4.343 20 30 EIEDRO COCc1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000091068177 1029875434 /nfs/dbraw/zinc/87/54/34/1029875434.db2.gz MJBVGGSLYXSTLX-UHFFFAOYSA-N 1 0 332.403 4.254 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(Cl)cc1 ZINC000024254125 1029935579 /nfs/dbraw/zinc/93/55/79/1029935579.db2.gz TXTMWOBYHDAZDI-OAHLLOKOSA-N 1 0 347.871 4.343 20 30 EIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC1=CCCCC1 ZINC000450744172 1029943250 /nfs/dbraw/zinc/94/32/50/1029943250.db2.gz LDNFWNBLUMRJOL-UHFFFAOYSA-N 1 0 346.544 4.085 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184536486 1030077063 /nfs/dbraw/zinc/07/70/63/1030077063.db2.gz JXXPCYGDTFQWQB-ICSRJNTNSA-N 1 0 332.463 4.344 20 30 EIEDRO N#Cc1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)cc1Cl ZINC000610275410 1030108579 /nfs/dbraw/zinc/10/85/79/1030108579.db2.gz HJOZKBJIZZBPBJ-UHFFFAOYSA-N 1 0 331.891 4.304 20 30 EIEDRO COCC1(C#N)CC[NH+](Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 ZINC000450928212 1030112882 /nfs/dbraw/zinc/11/28/82/1030112882.db2.gz FQFWUTOHRNQWNI-CQSZACIVSA-N 1 0 340.389 4.105 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441278211 1030125483 /nfs/dbraw/zinc/12/54/83/1030125483.db2.gz RBXVMONFMZWOQN-YADHBBJMSA-N 1 0 346.474 4.474 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)cc(Cl)c23)o1 ZINC000480477059 1030126509 /nfs/dbraw/zinc/12/65/09/1030126509.db2.gz AYCVDAJRYZKFHM-UHFFFAOYSA-N 1 0 334.206 4.272 20 30 EIEDRO C=CCCC1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000525974678 1030132011 /nfs/dbraw/zinc/13/20/11/1030132011.db2.gz ZWADDSJGFKXMDK-SFHVURJKSA-N 1 0 346.902 4.340 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1OC ZINC000185230233 1030133732 /nfs/dbraw/zinc/13/37/32/1030133732.db2.gz QBKVZPIBDUOEML-QFBILLFUSA-N 1 0 338.451 4.238 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000447544047 1030147366 /nfs/dbraw/zinc/14/73/66/1030147366.db2.gz SZMXZNMPWOEUMJ-WOJBJXKFSA-N 1 0 325.431 4.041 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000480501162 1030147447 /nfs/dbraw/zinc/14/74/47/1030147447.db2.gz NAUPBAFQZJJYGW-QFIPXVFZSA-N 1 0 347.462 4.083 20 30 EIEDRO CCC(C#N)(CC)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000530157595 1030173282 /nfs/dbraw/zinc/17/32/82/1030173282.db2.gz GDVDHKILBKWXST-UHFFFAOYSA-N 1 0 338.455 4.304 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC000447564202 1030173904 /nfs/dbraw/zinc/17/39/04/1030173904.db2.gz VURFAJMHXFJVBB-KXBFYZLASA-N 1 0 339.508 4.107 20 30 EIEDRO CC[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000447599670 1030221106 /nfs/dbraw/zinc/22/11/06/1030221106.db2.gz KKHOUVZSVFHNTP-IKGGRYGDSA-N 1 0 340.389 4.083 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccnc4ccccc34)CC2)cc1 ZINC000530278390 1030262829 /nfs/dbraw/zinc/26/28/29/1030262829.db2.gz ZOVJXOYWYOIVAU-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCOc2ccccc21 ZINC000685443130 1030317579 /nfs/dbraw/zinc/31/75/79/1030317579.db2.gz IHCIRQPPAYBXFQ-LJQANCHMSA-N 1 0 339.483 4.408 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451315936 1030391340 /nfs/dbraw/zinc/39/13/40/1030391340.db2.gz YVDMECUEAZLGLQ-INIZCTEOSA-N 1 0 342.405 4.439 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451306302 1030395381 /nfs/dbraw/zinc/39/53/81/1030395381.db2.gz MMLACMTYMUDHGY-HNNXBMFYSA-N 1 0 328.378 4.048 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000189487937 1030473253 /nfs/dbraw/zinc/47/32/53/1030473253.db2.gz HWHPGMIGOIMCLH-NRFANRHFSA-N 1 0 340.511 4.071 20 30 EIEDRO C=CCOc1ccc(CN2CCC[C@H]2c2csc(C)n2)cc1OC ZINC000189935190 1030524450 /nfs/dbraw/zinc/52/44/50/1030524450.db2.gz ASFNBIDAFWDKIO-KRWDZBQOSA-N 1 0 344.480 4.362 20 30 EIEDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2cc(C#N)cs2)ccn1 ZINC000530640403 1030615228 /nfs/dbraw/zinc/61/52/28/1030615228.db2.gz HQYHCGNRUBVDNY-CQSZACIVSA-N 1 0 329.469 4.118 20 30 EIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2cc(C#N)cs2)ccn1 ZINC000530640402 1030615925 /nfs/dbraw/zinc/61/59/25/1030615925.db2.gz HQYHCGNRUBVDNY-AWEZNQCLSA-N 1 0 329.469 4.118 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000191445694 1030625405 /nfs/dbraw/zinc/62/54/05/1030625405.db2.gz LIWNCSXCOIDIQB-SJLPKXTDSA-N 1 0 343.515 4.485 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000127558636 1030722859 /nfs/dbraw/zinc/72/28/59/1030722859.db2.gz NJSCSOKQEACKGC-UONOGXRCSA-N 1 0 341.842 4.198 20 30 EIEDRO CCC[N@H+](Cc1ccnn1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000448335082 1030747695 /nfs/dbraw/zinc/74/76/95/1030747695.db2.gz OACZHCBBWLTHKW-UHFFFAOYSA-N 1 0 330.435 4.156 20 30 EIEDRO C=CC1CC[NH+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000530870966 1030774966 /nfs/dbraw/zinc/77/49/66/1030774966.db2.gz YBSVTWHLMNVELE-UHFFFAOYSA-N 1 0 329.419 4.015 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc(C(F)(F)F)c1 ZINC000527634902 1030791481 /nfs/dbraw/zinc/79/14/81/1030791481.db2.gz KHUGOPKWAUIUKX-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c(Cl)c1 ZINC000451945863 1030803909 /nfs/dbraw/zinc/80/39/09/1030803909.db2.gz XIQINPVEPLFLSH-UHFFFAOYSA-N 1 0 340.854 4.093 20 30 EIEDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000451981105 1030808885 /nfs/dbraw/zinc/80/88/85/1030808885.db2.gz DPMGEUWZOSVLSZ-LJQANCHMSA-N 1 0 330.447 4.372 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000452004157 1030818485 /nfs/dbraw/zinc/81/84/85/1030818485.db2.gz HHVXECMDOKMFGX-HUUCEWRRSA-N 1 0 345.512 4.282 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)Oc1ccccc1F ZINC000176990523 1030832790 /nfs/dbraw/zinc/83/27/90/1030832790.db2.gz YAELZWBOTCEFBR-WBVHZDCISA-N 1 0 342.414 4.064 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000612070158 1030836097 /nfs/dbraw/zinc/83/60/97/1030836097.db2.gz UDVFVVPROLWOCH-UHFFFAOYSA-N 1 0 326.390 4.410 20 30 EIEDRO COc1cc(CN(C)Cc2ccc(F)cc2C#N)ccc1SC ZINC000103141847 1030849943 /nfs/dbraw/zinc/84/99/43/1030849943.db2.gz PQBZTEWUNSZGNV-UHFFFAOYSA-N 1 0 330.428 4.060 20 30 EIEDRO Cc1cc(Cl)cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000527812121 1030856584 /nfs/dbraw/zinc/85/65/84/1030856584.db2.gz QTEHICYPGGMJAD-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)c1 ZINC000531117619 1030896459 /nfs/dbraw/zinc/89/64/59/1030896459.db2.gz UFAXFFYUMAGWJK-UHFFFAOYSA-N 1 0 327.453 4.016 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(F)c(Br)cc1F ZINC000527891391 1030899303 /nfs/dbraw/zinc/89/93/03/1030899303.db2.gz MLYWQYQOQKVGRG-LPEHRKFASA-N 1 0 329.188 4.070 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(F)c(Br)cc1F ZINC000527910192 1030940932 /nfs/dbraw/zinc/94/09/32/1030940932.db2.gz MLYWQYQOQKVGRG-KXUCPTDWSA-N 1 0 329.188 4.070 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(Cc2cccnc2)C1)c1ccco1 ZINC000375787671 1030941880 /nfs/dbraw/zinc/94/18/80/1030941880.db2.gz HOBZIUKTQHMTTQ-PMACEKPBSA-N 1 0 339.483 4.184 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cnn(Cc2ccccc2)c1 ZINC000610830102 1031031929 /nfs/dbraw/zinc/03/19/29/1031031929.db2.gz DKSYKYNSJNXASQ-IAGOWNOFSA-N 1 0 330.435 4.215 20 30 EIEDRO C[C@@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000610829826 1031032683 /nfs/dbraw/zinc/03/26/83/1031032683.db2.gz NPLSZQASYSVBED-CBGDNZLLSA-N 1 0 325.500 4.252 20 30 EIEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000026250425 1031036977 /nfs/dbraw/zinc/03/69/77/1031036977.db2.gz SIHNDTRZQZAUHJ-UHFFFAOYSA-N 1 0 343.430 4.172 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000255758186 1031065715 /nfs/dbraw/zinc/06/57/15/1031065715.db2.gz XISICJOOJYSQMN-VJOZSWGJSA-N 1 0 344.480 4.108 20 30 EIEDRO CC(C)C[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000170984237 1031156774 /nfs/dbraw/zinc/15/67/74/1031156774.db2.gz TWBRKKAOPVSYDO-MRXNPFEDSA-N 1 0 347.528 4.386 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000532503523 1031224793 /nfs/dbraw/zinc/22/47/93/1031224793.db2.gz WTGWLBBBDBEUCJ-NRFANRHFSA-N 1 0 347.462 4.286 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(OCc3ccccc3F)CC2)cc1F ZINC000364504344 1031325694 /nfs/dbraw/zinc/32/56/94/1031325694.db2.gz OGOIUJYIUSZZGZ-UHFFFAOYSA-N 1 0 342.389 4.018 20 30 EIEDRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000136479597 1031389892 /nfs/dbraw/zinc/38/98/92/1031389892.db2.gz ZNBHMXGRXRMVSG-UHFFFAOYSA-N 1 0 349.478 4.334 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000647475876 1031408566 /nfs/dbraw/zinc/40/85/66/1031408566.db2.gz CSMXMEVNHFADBD-SFHVURJKSA-N 1 0 341.499 4.335 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)c1cccc(OC)c1 ZINC000449067239 1031416973 /nfs/dbraw/zinc/41/69/73/1031416973.db2.gz JPVCMACQJNOKLV-CKHPTIKVSA-N 1 0 343.515 4.140 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)cc1C#N ZINC000365092177 1031497735 /nfs/dbraw/zinc/49/77/35/1031497735.db2.gz WBGWDLLGCWWKIA-QGZVFWFLSA-N 1 0 348.475 4.187 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1F ZINC000531715872 1031503797 /nfs/dbraw/zinc/50/37/97/1031503797.db2.gz QEYJXMJWKKNSCW-HOCLYGCPSA-N 1 0 341.405 4.156 20 30 EIEDRO CN1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000449202439 1031546285 /nfs/dbraw/zinc/54/62/85/1031546285.db2.gz FJFPMFDSEKYFDE-MMZJAPOHSA-N 1 0 349.881 4.286 20 30 EIEDRO N#Cc1c(Cl)nsc1NC1CC[NH+](CC2CCCCC2)CC1 ZINC000065946407 1031561714 /nfs/dbraw/zinc/56/17/14/1031561714.db2.gz XVZLIRHVEDUHNO-UHFFFAOYSA-N 1 0 338.908 4.125 20 30 EIEDRO Cn1cc(CN2CCCC[C@H]2c2nc3ccccc3s2)cc1C#N ZINC000365235453 1031564294 /nfs/dbraw/zinc/56/42/94/1031564294.db2.gz VYBIFFGUQCDEAH-KRWDZBQOSA-N 1 0 336.464 4.234 20 30 EIEDRO C=CCN(CCc1ccccc1)CC(=O)Nc1ccc(SC)cc1 ZINC000065959619 1031621512 /nfs/dbraw/zinc/62/15/12/1031621512.db2.gz KFAQBSVQXARYRU-UHFFFAOYSA-N 1 0 340.492 4.078 20 30 EIEDRO CC(C)(C#N)CCC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528579211 1031641038 /nfs/dbraw/zinc/64/10/38/1031641038.db2.gz SWADOPPHWNHAKE-UHFFFAOYSA-N 1 0 344.503 4.312 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(-c2cncnc2)cc1 ZINC000365397678 1031654193 /nfs/dbraw/zinc/65/41/93/1031654193.db2.gz ZTSIJTZPHIZAKO-CQSZACIVSA-N 1 0 332.382 4.005 20 30 EIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccn1 ZINC000449394888 1031686462 /nfs/dbraw/zinc/68/64/62/1031686462.db2.gz RPXHTKMIPPEMGN-UHFFFAOYSA-N 1 0 333.357 4.039 20 30 EIEDRO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446833 1031741867 /nfs/dbraw/zinc/74/18/67/1031741867.db2.gz UOQOJMFSBPGFLT-AGIUHOORSA-N 1 0 327.255 4.433 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453239489 1031760483 /nfs/dbraw/zinc/76/04/83/1031760483.db2.gz XBVPNLPGVDREHO-QZTJIDSGSA-N 1 0 334.891 4.350 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000453289156 1031808170 /nfs/dbraw/zinc/80/81/70/1031808170.db2.gz IEJQUNLAFFBKRZ-WQCNXYOZSA-N 1 0 332.875 4.102 20 30 EIEDRO COC[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000453328664 1031822791 /nfs/dbraw/zinc/82/27/91/1031822791.db2.gz VGDUHKZXOLNZHC-YLJYHZDGSA-N 1 0 340.854 4.219 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000393782691 1031841739 /nfs/dbraw/zinc/84/17/39/1031841739.db2.gz QTBLQOZSRCIZKY-CYBMUJFWSA-N 1 0 342.277 4.301 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc(C(F)F)c3)CCOCC2)cc1 ZINC000528778907 1031849827 /nfs/dbraw/zinc/84/98/27/1031849827.db2.gz PFDWOZXKKKFMIX-UHFFFAOYSA-N 1 0 342.389 4.291 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3cc(F)c(F)c(F)c31)CC2 ZINC000453334887 1031860258 /nfs/dbraw/zinc/86/02/58/1031860258.db2.gz IKYWKOSDDKJGNO-HOTGVXAUSA-N 1 0 328.337 4.240 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000453338766 1031861916 /nfs/dbraw/zinc/86/19/16/1031861916.db2.gz CPLVNQMBSCJSFP-TZMCWYRMSA-N 1 0 334.460 4.235 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000449630098 1031890891 /nfs/dbraw/zinc/89/08/91/1031890891.db2.gz UWRXRKRXAPPCEF-FUHWJXTLSA-N 1 0 329.465 4.323 20 30 EIEDRO N#Cc1cccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000531988645 1031897022 /nfs/dbraw/zinc/89/70/22/1031897022.db2.gz XBPNYLHOHRMCCE-DHIUTWEWSA-N 1 0 345.490 4.045 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000453375575 1031923761 /nfs/dbraw/zinc/92/37/61/1031923761.db2.gz JIJBXZYZBZSIQX-YLQAJVPDSA-N 1 0 330.428 4.330 20 30 EIEDRO CC1(C)C[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC000453415998 1031951347 /nfs/dbraw/zinc/95/13/47/1031951347.db2.gz JRDNLHGRVKWXEL-FQVISZRSSA-N 1 0 326.484 4.185 20 30 EIEDRO FCCC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000532015688 1031981734 /nfs/dbraw/zinc/98/17/34/1031981734.db2.gz MXVXBHGVHMTLAZ-NSHDSACASA-N 1 0 333.247 4.008 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000135287671 1032028503 /nfs/dbraw/zinc/02/85/03/1032028503.db2.gz XDVBIQSFUFMGIA-MJGOQNOKSA-N 1 0 338.451 4.169 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c(F)c1 ZINC000453609420 1032041343 /nfs/dbraw/zinc/04/13/43/1032041343.db2.gz FTRKSNJJEWJYGC-FQEVSTJZSA-N 1 0 338.426 4.081 20 30 EIEDRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000614100276 1033363662 /nfs/dbraw/zinc/36/36/62/1033363662.db2.gz IARGKVTUDMTSTO-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2nc3ccc(OC)cc3s2)cc1 ZINC000512574033 1033404625 /nfs/dbraw/zinc/40/46/25/1033404625.db2.gz PQPOWKZJSJHQAB-UHFFFAOYSA-N 1 0 340.448 4.160 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512613563 1033496240 /nfs/dbraw/zinc/49/62/40/1033496240.db2.gz SIXMWOHCAGRIFC-VPZZIHKRSA-N 1 0 330.378 4.263 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000512614869 1033499027 /nfs/dbraw/zinc/49/90/27/1033499027.db2.gz XEXGQKSOIPBKJY-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1cccc(C#N)c1 ZINC000500872801 1033516932 /nfs/dbraw/zinc/51/69/32/1033516932.db2.gz UPOMLKOMIXHJOO-QFIPXVFZSA-N 1 0 347.506 4.121 20 30 EIEDRO C[C@H](COc1ccc(F)cc1F)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512616847 1033520341 /nfs/dbraw/zinc/52/03/41/1033520341.db2.gz CZMITGYABRHJPH-VXGBXAGGSA-N 1 0 334.341 4.094 20 30 EIEDRO C[N@H+](Cc1ccc(Br)o1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160142 1033528869 /nfs/dbraw/zinc/52/88/69/1033528869.db2.gz WTPDMZLTSSVVSI-UHFFFAOYSA-N 1 0 347.256 4.475 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1F ZINC000512634880 1033575711 /nfs/dbraw/zinc/57/57/11/1033575711.db2.gz FPURBVRTGDAAFD-ZKWAXGPOSA-N 1 0 346.352 4.156 20 30 EIEDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176381 1033597539 /nfs/dbraw/zinc/59/75/39/1033597539.db2.gz YQPLWLMGALFWGW-QGZVFWFLSA-N 1 0 342.483 4.043 20 30 EIEDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(C#N)cc1F ZINC000512656005 1033633514 /nfs/dbraw/zinc/63/35/14/1033633514.db2.gz XTHPLKPDYDNABB-CYBMUJFWSA-N 1 0 343.471 4.316 20 30 EIEDRO C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512659356 1033646384 /nfs/dbraw/zinc/64/63/84/1033646384.db2.gz FZPGVLRNMMNLNE-INIZCTEOSA-N 1 0 337.442 4.013 20 30 EIEDRO C[C@@H]([NH2+]CCCCOCc1ccccc1)c1ccc(C#N)cc1F ZINC000512659412 1033646462 /nfs/dbraw/zinc/64/64/62/1033646462.db2.gz GOKAOYDFQUGANZ-MRXNPFEDSA-N 1 0 326.415 4.345 20 30 EIEDRO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512659387 1033646541 /nfs/dbraw/zinc/64/65/41/1033646541.db2.gz GJWBUQJJGCGUMT-CQSZACIVSA-N 1 0 339.414 4.287 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(-n2cccn2)c1 ZINC000512661367 1033650960 /nfs/dbraw/zinc/65/09/60/1033650960.db2.gz RODMIASVKRZSGF-GJZGRUSLSA-N 1 0 334.398 4.295 20 30 EIEDRO COC(=O)c1sccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000433012324 1033651109 /nfs/dbraw/zinc/65/11/09/1033651109.db2.gz JSHNQJDXAIZILV-INIZCTEOSA-N 1 0 328.437 4.059 20 30 EIEDRO Cc1cccc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1C ZINC000433015351 1033655307 /nfs/dbraw/zinc/65/53/07/1033655307.db2.gz WSHYDAAHICESLJ-FQEVSTJZSA-N 1 0 335.451 4.267 20 30 EIEDRO N#CCCC[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1 ZINC000433023072 1033680124 /nfs/dbraw/zinc/68/01/24/1033680124.db2.gz ZEZCKSQDRZBVDU-OAQYLSRUSA-N 1 0 333.435 4.352 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000433083075 1033811617 /nfs/dbraw/zinc/81/16/17/1033811617.db2.gz NOILQSNBHOWIHZ-SJORKVTESA-N 1 0 337.442 4.265 20 30 EIEDRO CCCOc1c(CNCc2ccc(C#N)cc2F)cccc1OCC ZINC000237005092 1033918525 /nfs/dbraw/zinc/91/85/25/1033918525.db2.gz MGJXCJGEYWZTMO-UHFFFAOYSA-N 1 0 342.414 4.175 20 30 EIEDRO CCN(CC)C(=O)CCC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411506028 1033947878 /nfs/dbraw/zinc/94/78/78/1033947878.db2.gz PEIYVNOZHSNYHK-UHFFFAOYSA-N 1 0 347.547 4.211 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000512851270 1034070570 /nfs/dbraw/zinc/07/05/70/1034070570.db2.gz XEYPZSKGZOEKCK-UHFFFAOYSA-N 1 0 341.414 4.100 20 30 EIEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CCOCC1 ZINC000419295547 1034096913 /nfs/dbraw/zinc/09/69/13/1034096913.db2.gz CSSSBUIUEJICKC-GOSISDBHSA-N 1 0 348.437 4.072 20 30 EIEDRO C=CCOc1cccc(C[NH2+]CCCOc2cccc3cccnc32)c1 ZINC000500914503 1034097606 /nfs/dbraw/zinc/09/76/06/1034097606.db2.gz GADIUEDIGGIZJM-UHFFFAOYSA-N 1 0 348.446 4.358 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC2(C(F)(F)F)CC2)ccc1OC ZINC000512898643 1034140053 /nfs/dbraw/zinc/14/00/53/1034140053.db2.gz HBLOPWPOHBGKLY-UHFFFAOYSA-N 1 0 329.362 4.082 20 30 EIEDRO C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000433317395 1034230662 /nfs/dbraw/zinc/23/06/62/1034230662.db2.gz IVOXJTLDSUDEHQ-UHFFFAOYSA-N 1 0 328.378 4.346 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(C2CC2)cc1 ZINC000419329724 1034305608 /nfs/dbraw/zinc/30/56/08/1034305608.db2.gz BKFOETVYMRPMQA-CYBMUJFWSA-N 1 0 339.464 4.177 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000513040793 1034349296 /nfs/dbraw/zinc/34/92/96/1034349296.db2.gz LCDGRPLCONPYPL-AYOQOUSVSA-N 1 0 326.465 4.061 20 30 EIEDRO Cc1cc(C#N)ccc1CN1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000614401744 1034546354 /nfs/dbraw/zinc/54/63/54/1034546354.db2.gz BQQBAPVKASNUAQ-OAQYLSRUSA-N 1 0 344.462 4.481 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000614402556 1034549186 /nfs/dbraw/zinc/54/91/86/1034549186.db2.gz JEKWDPQLTAMVDT-CVDCTZTESA-N 1 0 347.506 4.352 20 30 EIEDRO Cc1cc(C#N)ccc1CN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000614405826 1034554493 /nfs/dbraw/zinc/55/44/93/1034554493.db2.gz IKWOQLOCIBEHBN-LJQANCHMSA-N 1 0 326.827 4.094 20 30 EIEDRO CC(C)c1cccc(NC(=[NH2+])N[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000261714199 1034845931 /nfs/dbraw/zinc/84/59/31/1034845931.db2.gz KGKTZFHONVSSBU-SHACYNPGSA-N 1 0 343.496 4.035 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(Sc3ccccn3)o2)c1 ZINC000513478908 1034979927 /nfs/dbraw/zinc/97/99/27/1034979927.db2.gz GWGLHQUPKIEBFA-UHFFFAOYSA-N 1 0 335.432 4.030 20 30 EIEDRO C=CCN(Cc1ccccc1)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430018298 1035009327 /nfs/dbraw/zinc/00/93/27/1035009327.db2.gz CRRMGKGEYWHMQV-UHFFFAOYSA-N 1 0 345.446 4.340 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccco1 ZINC000513662682 1035097486 /nfs/dbraw/zinc/09/74/86/1035097486.db2.gz YRIDDMWZWTVOPR-GDBMZVCRSA-N 1 0 331.847 4.204 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000280235263 1035210155 /nfs/dbraw/zinc/21/01/55/1035210155.db2.gz VNCGKNYOIIBOFQ-NWDGAFQWSA-N 1 0 330.229 4.128 20 30 EIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1OC ZINC000628326881 1035308700 /nfs/dbraw/zinc/30/87/00/1035308700.db2.gz YYKUNMOCWKNDPS-MRXNPFEDSA-N 1 0 343.801 4.145 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1Cl ZINC000302939447 1035365195 /nfs/dbraw/zinc/36/51/95/1035365195.db2.gz KPWHSKINOMNCKD-UHFFFAOYSA-N 1 0 347.871 4.124 20 30 EIEDRO CSc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000594985060 1035512221 /nfs/dbraw/zinc/51/22/21/1035512221.db2.gz UPSKBBPVGBCQAC-UHFFFAOYSA-N 1 0 338.476 4.076 20 30 EIEDRO C=CCCSCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000595058308 1035535244 /nfs/dbraw/zinc/53/52/44/1035535244.db2.gz HCGOFRGMHVZQGM-CQSZACIVSA-N 1 0 330.419 4.377 20 30 EIEDRO CC[C@@H](COCC1CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000595056148 1035535580 /nfs/dbraw/zinc/53/55/80/1035535580.db2.gz BKHOVGUKWRSYIA-MWXLCCTBSA-N 1 0 326.484 4.185 20 30 EIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Br)c(Cl)c1 ZINC000595054811 1035537981 /nfs/dbraw/zinc/53/79/81/1035537981.db2.gz POWPWCWWFCYVAP-JTQLQIEISA-N 1 0 327.653 4.447 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)COc1c(F)cccc1F)c1ccc(C#N)cc1F ZINC000595071862 1035554301 /nfs/dbraw/zinc/55/43/01/1035554301.db2.gz CDPBYQVABTWFFN-NWDGAFQWSA-N 1 0 334.341 4.094 20 30 EIEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000485013166 1035582297 /nfs/dbraw/zinc/58/22/97/1035582297.db2.gz OLJOETDRRFGNQN-LJQANCHMSA-N 1 0 333.479 4.136 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595099161 1035583530 /nfs/dbraw/zinc/58/35/30/1035583530.db2.gz RUVGAAIVIXEXFN-OAHLLOKOSA-N 1 0 347.890 4.429 20 30 EIEDRO C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000595089940 1035596325 /nfs/dbraw/zinc/59/63/25/1035596325.db2.gz AMARFKSEVSMYQY-IBGZPJMESA-N 1 0 339.527 4.146 20 30 EIEDRO CC(C)[C@H](O)[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595096891 1035603929 /nfs/dbraw/zinc/60/39/29/1035603929.db2.gz NRZXUQDTVVMOTL-FKBYEOEOSA-N 1 0 334.463 4.283 20 30 EIEDRO C[C@@H]1C[C@H]([N@H+](C)CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000595342639 1035635191 /nfs/dbraw/zinc/63/51/91/1035635191.db2.gz FNQJRCJGPGMOJA-AUSIDOKSSA-N 1 0 347.506 4.086 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)Nc1cccc(C#N)c1 ZINC000575027125 1035655541 /nfs/dbraw/zinc/65/55/41/1035655541.db2.gz QNASELCOEGUOHI-UONOGXRCSA-N 1 0 349.459 4.451 20 30 EIEDRO CCc1ccc(-c2noc([C@H](C)[NH2+]CCc3ccc(C#N)cc3)n2)cc1 ZINC000595433432 1035678898 /nfs/dbraw/zinc/67/88/98/1035678898.db2.gz QVNWPQRGTSUMIJ-HNNXBMFYSA-N 1 0 346.434 4.064 20 30 EIEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000595433935 1035680373 /nfs/dbraw/zinc/68/03/73/1035680373.db2.gz XBKSQHVCFUREON-RTWAWAEBSA-N 1 0 338.426 4.092 20 30 EIEDRO CCC[N@H+](CCc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000595482674 1035680462 /nfs/dbraw/zinc/68/04/62/1035680462.db2.gz UGJYSSGJTXPFQT-SFHVURJKSA-N 1 0 349.478 4.148 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1coc(-c3ccc(F)cc3)n1)CC2 ZINC000575221433 1035730728 /nfs/dbraw/zinc/73/07/28/1035730728.db2.gz UKZSFFCSOYYXCY-HXUWFJFHSA-N 1 0 347.393 4.172 20 30 EIEDRO CC(C)([NH2+]Cc1cc(F)ccc1OC(F)F)c1cccc(C#N)c1 ZINC000595633669 1035741592 /nfs/dbraw/zinc/74/15/92/1035741592.db2.gz VELMSYQKYIMABD-UHFFFAOYSA-N 1 0 334.341 4.324 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC23CCCCC3)c(C#N)c1C ZINC000595603230 1035744007 /nfs/dbraw/zinc/74/40/07/1035744007.db2.gz GUPUJCIHPBUTMW-YOEHRIQHSA-N 1 0 343.471 4.188 20 30 EIEDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000595602882 1035744278 /nfs/dbraw/zinc/74/42/78/1035744278.db2.gz XMMNSDKBRABXNX-LSDHHAIUSA-N 1 0 333.501 4.140 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595672845 1035762253 /nfs/dbraw/zinc/76/22/53/1035762253.db2.gz CABUUNNRUPFIPH-HXUWFJFHSA-N 1 0 349.434 4.097 20 30 EIEDRO CC(C)(C)OC(=O)CCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000595717279 1035774039 /nfs/dbraw/zinc/77/40/39/1035774039.db2.gz LJOZZAMQWGAFQB-UHFFFAOYSA-N 1 0 346.446 4.031 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595786944 1035791798 /nfs/dbraw/zinc/79/17/98/1035791798.db2.gz CZFSVEWGFVXQTJ-ICSRJNTNSA-N 1 0 326.484 4.269 20 30 EIEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1C ZINC000491069449 1035800265 /nfs/dbraw/zinc/80/02/65/1035800265.db2.gz XASMWFXYVIUDRN-UHFFFAOYSA-N 1 0 344.462 4.289 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)ccc1C#N ZINC000593125886 1035800480 /nfs/dbraw/zinc/80/04/80/1035800480.db2.gz PXXIKHLQXRCTCD-FKBYEOEOSA-N 1 0 332.447 4.361 20 30 EIEDRO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000485331760 1035826132 /nfs/dbraw/zinc/82/61/32/1035826132.db2.gz OEIWRWWXQQEVLK-LAUBAEHRSA-N 1 0 347.462 4.021 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+]([C@H]3CCc4ccccc43)CC2)c(F)c1 ZINC000586783561 1035845833 /nfs/dbraw/zinc/84/58/33/1035845833.db2.gz MBPWITHJVWNQGB-FQEVSTJZSA-N 1 0 336.410 4.228 20 30 EIEDRO CCCN(C)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000586794584 1035850080 /nfs/dbraw/zinc/85/00/80/1035850080.db2.gz SMQSCDPOXWWXFB-AYOQOUSVSA-N 1 0 333.907 4.395 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000559260318 1035851442 /nfs/dbraw/zinc/85/14/42/1035851442.db2.gz FDDDZTVQZZNSOP-AWEZNQCLSA-N 1 0 340.920 4.181 20 30 EIEDRO Cc1cccc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593183824 1035893981 /nfs/dbraw/zinc/89/39/81/1035893981.db2.gz KWPBOESRGHQWJP-GOSISDBHSA-N 1 0 333.479 4.182 20 30 EIEDRO C=CCSc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000485469436 1035916180 /nfs/dbraw/zinc/91/61/80/1035916180.db2.gz VYYNVWSEEGKCLQ-QGZVFWFLSA-N 1 0 346.540 4.063 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](COCc4ccccc4)C3)cc2)CC1 ZINC000597014655 1036070220 /nfs/dbraw/zinc/07/02/20/1036070220.db2.gz SUMDAGSHJHTSAQ-OAQYLSRUSA-N 1 0 346.474 4.280 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+](Cc3ccco3)C[C@H]3CCCO3)cc2)CC1 ZINC000597000608 1036075082 /nfs/dbraw/zinc/07/50/82/1036075082.db2.gz OCIJYBIFQULMJM-HXUWFJFHSA-N 1 0 336.435 4.016 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CCCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC000597000427 1036075216 /nfs/dbraw/zinc/07/52/16/1036075216.db2.gz ZRWSDSKPKHNTMZ-NRFANRHFSA-N 1 0 332.447 4.205 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000597133678 1036111840 /nfs/dbraw/zinc/11/18/40/1036111840.db2.gz XOTAJBXDALDPRB-KRWDZBQOSA-N 1 0 341.499 4.096 20 30 EIEDRO COC[C@H](C)Oc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000597160204 1036135515 /nfs/dbraw/zinc/13/55/15/1036135515.db2.gz KNXVXXIAFIDZTD-IRXDYDNUSA-N 1 0 338.451 4.165 20 30 EIEDRO C[C@H](C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccc(F)cc1 ZINC000597213031 1036156678 /nfs/dbraw/zinc/15/66/78/1036156678.db2.gz YXHQRBRAEDKOFR-MRXNPFEDSA-N 1 0 338.426 4.096 20 30 EIEDRO C=CCCC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000588091175 1036210317 /nfs/dbraw/zinc/21/03/17/1036210317.db2.gz HROIPAQIDCIJMJ-UHFFFAOYSA-N 1 0 343.298 4.240 20 30 EIEDRO CC[C@@H]1C[C@]1([NH2+]CCCC1(C#N)CCOCC1)c1cccc(C)c1 ZINC000502506572 1036276636 /nfs/dbraw/zinc/27/66/36/1036276636.db2.gz FENCNUPTRVRHTB-WIYYLYMNSA-N 1 0 326.484 4.310 20 30 EIEDRO C=CCC1([NH2+][C@H](C)CCc2ccc(OC(F)F)cc2)CCOCC1 ZINC000668551687 1036277408 /nfs/dbraw/zinc/27/74/08/1036277408.db2.gz ULWWWYHWWZMJDM-OAHLLOKOSA-N 1 0 339.426 4.324 20 30 EIEDRO CCOc1cc(C[NH2+]Cc2ccc(C#N)s2)ccc1OCC(C)C ZINC000421350029 1036294058 /nfs/dbraw/zinc/29/40/58/1036294058.db2.gz KEMFOKJKTIZZRO-UHFFFAOYSA-N 1 0 344.480 4.343 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000421349809 1036295231 /nfs/dbraw/zinc/29/52/31/1036295231.db2.gz JOINDUFJZNNEHM-CXAGYDPISA-N 1 0 341.436 4.029 20 30 EIEDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000421354945 1036298284 /nfs/dbraw/zinc/29/82/84/1036298284.db2.gz XXWHXZBZGWHSDK-LBPRGKRZSA-N 1 0 336.407 4.332 20 30 EIEDRO C[C@H](NCc1ccc(Br)cc1C#N)c1cccc(C#N)c1 ZINC000588204527 1036300448 /nfs/dbraw/zinc/30/04/48/1036300448.db2.gz NMBSBJCLFNESJZ-LBPRGKRZSA-N 1 0 340.224 4.043 20 30 EIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000588210568 1036310914 /nfs/dbraw/zinc/31/09/14/1036310914.db2.gz UTWSNKRIVSRWJA-ZDUSSCGKSA-N 1 0 333.357 4.035 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502533427 1036331873 /nfs/dbraw/zinc/33/18/73/1036331873.db2.gz YTNHXAKIIYHNHJ-LJQANCHMSA-N 1 0 334.891 4.351 20 30 EIEDRO N#Cc1ccc(CN2CCC[N@@H+]([C@H]3CCCc4ccccc43)CC2)cc1 ZINC000060755560 1036411621 /nfs/dbraw/zinc/41/16/21/1036411621.db2.gz AQOMSNCAWHPQHE-QHCPKHFHSA-N 1 0 345.490 4.144 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000602520211 1036476620 /nfs/dbraw/zinc/47/66/20/1036476620.db2.gz KYCXNRWBATVPBC-QGZVFWFLSA-N 1 0 342.483 4.197 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000602520210 1036477683 /nfs/dbraw/zinc/47/76/83/1036477683.db2.gz KYCXNRWBATVPBC-KRWDZBQOSA-N 1 0 342.483 4.197 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccccc1C(C)(C)C ZINC000602546816 1036490990 /nfs/dbraw/zinc/49/09/90/1036490990.db2.gz GESLOFXEIPPIRQ-KRWDZBQOSA-N 1 0 344.499 4.051 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000602529572 1036494157 /nfs/dbraw/zinc/49/41/57/1036494157.db2.gz GINRAOFESZTQNS-HNNXBMFYSA-N 1 0 332.875 4.060 20 30 EIEDRO N#CC1CCC([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000602565940 1036499402 /nfs/dbraw/zinc/49/94/02/1036499402.db2.gz BLOSOUVVORALRK-YVNUBYTISA-N 1 0 325.843 4.496 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000602646297 1036538655 /nfs/dbraw/zinc/53/86/55/1036538655.db2.gz NWVXCNAIZYLQAR-QGPMSJSTSA-N 1 0 332.875 4.275 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCCc1ccc(Cl)s1 ZINC000602651871 1036544389 /nfs/dbraw/zinc/54/43/89/1036544389.db2.gz HFIZAWWHXRCBKZ-AWEZNQCLSA-N 1 0 340.920 4.413 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000602670809 1036550293 /nfs/dbraw/zinc/55/02/93/1036550293.db2.gz GMQSSHMZVWJMRB-KEYYUXOJSA-N 1 0 340.389 4.407 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000602673830 1036551493 /nfs/dbraw/zinc/55/14/93/1036551493.db2.gz SLLWBVLMIJDWFD-OCCSQVGLSA-N 1 0 338.904 4.467 20 30 EIEDRO N#CCCC[C@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)c1ccccc1 ZINC000602672769 1036551650 /nfs/dbraw/zinc/55/16/50/1036551650.db2.gz ZTKWFLTZRISDRN-RBUKOAKNSA-N 1 0 337.471 4.451 20 30 EIEDRO CC(C)c1ccc(O[C@@H](C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602654121 1036552505 /nfs/dbraw/zinc/55/25/05/1036552505.db2.gz JSFFOVPJPSKIKJ-MSOLQXFVSA-N 1 0 344.499 4.266 20 30 EIEDRO Cc1ccc(C(C)(C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c(C)c1 ZINC000602671886 1036552539 /nfs/dbraw/zinc/55/25/39/1036552539.db2.gz MEDJXGVUHPINSG-SFHVURJKSA-N 1 0 328.500 4.270 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000602675902 1036553261 /nfs/dbraw/zinc/55/32/61/1036553261.db2.gz WQOKNTBKUOWINZ-YZGWKJHDSA-N 1 0 326.484 4.259 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602658315 1036557535 /nfs/dbraw/zinc/55/75/35/1036557535.db2.gz UIVQKGCZMIWQMK-UHFFFAOYSA-N 1 0 341.333 4.033 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000602692556 1036565008 /nfs/dbraw/zinc/56/50/08/1036565008.db2.gz XZQQNNZKJLSWKQ-OAHLLOKOSA-N 1 0 348.437 4.075 20 30 EIEDRO C[C@H](CCC#N)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000602681338 1036567762 /nfs/dbraw/zinc/56/77/62/1036567762.db2.gz SBHXFGAGSHUMEY-LLVKDONJSA-N 1 0 331.407 4.281 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000602699966 1036576380 /nfs/dbraw/zinc/57/63/80/1036576380.db2.gz PTHIXTXXZSRFLS-PBHICJAKSA-N 1 0 346.446 4.116 20 30 EIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602706540 1036580330 /nfs/dbraw/zinc/58/03/30/1036580330.db2.gz PYNBAQLWJLFQFJ-JTHBVZDNSA-N 1 0 345.490 4.058 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000602733980 1036600038 /nfs/dbraw/zinc/60/00/38/1036600038.db2.gz ZRCPSLMTVQHDPF-RTWAWAEBSA-N 1 0 334.463 4.186 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CC2(CC#N)CC2)ccc1OC1CCCC1 ZINC000602802101 1036627853 /nfs/dbraw/zinc/62/78/53/1036627853.db2.gz PAWJCHZKOHTWBL-HNNXBMFYSA-N 1 0 328.456 4.361 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)ccc1OC1CCCC1 ZINC000602802133 1036628007 /nfs/dbraw/zinc/62/80/07/1036628007.db2.gz PAWJCHZKOHTWBL-OAHLLOKOSA-N 1 0 328.456 4.361 20 30 EIEDRO N#CCC1(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000602792454 1036635455 /nfs/dbraw/zinc/63/54/55/1036635455.db2.gz YMNKUPKHTYNCRL-UHFFFAOYSA-N 1 0 329.831 4.354 20 30 EIEDRO CC[C@](C)([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000602927538 1036674072 /nfs/dbraw/zinc/67/40/72/1036674072.db2.gz UJGJITKROHVGDD-SFHVURJKSA-N 1 0 345.443 4.002 20 30 EIEDRO Cc1c2ccccc2oc1[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(C)C ZINC000598603585 1036704702 /nfs/dbraw/zinc/70/47/02/1036704702.db2.gz WOLYPEKZKISQNV-CRAIPNDOSA-N 1 0 328.456 4.329 20 30 EIEDRO CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000598586053 1036705323 /nfs/dbraw/zinc/70/53/23/1036705323.db2.gz CTMMPPUDLYWDME-BBRMVZONSA-N 1 0 342.405 4.389 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000598591636 1036707685 /nfs/dbraw/zinc/70/76/85/1036707685.db2.gz XIBOTLPMCWKWCI-IBGZPJMESA-N 1 0 340.442 4.129 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000598617614 1036714796 /nfs/dbraw/zinc/71/47/96/1036714796.db2.gz KRHOKKCTPSNIQH-NRFANRHFSA-N 1 0 334.463 4.012 20 30 EIEDRO N#CC(CC[NH2+][C@@H](CO)C1CCCC1)(c1ccccc1)c1ccccc1 ZINC000589305468 1036723291 /nfs/dbraw/zinc/72/32/91/1036723291.db2.gz YHLXDUMZDTYTON-QFIPXVFZSA-N 1 0 348.490 4.027 20 30 EIEDRO N#CCSCCC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000598644011 1036732455 /nfs/dbraw/zinc/73/24/55/1036732455.db2.gz VIZSSMWXYSLKGT-UHFFFAOYSA-N 1 0 328.403 4.321 20 30 EIEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]CCCSCC#N)cc1 ZINC000589291607 1036733000 /nfs/dbraw/zinc/73/30/00/1036733000.db2.gz WMGPACWRDQVTSG-FQEVSTJZSA-N 1 0 340.492 4.215 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cccc(OC(F)F)c1 ZINC000589336465 1036739158 /nfs/dbraw/zinc/73/91/58/1036739158.db2.gz JZPDWZALXGVEFS-XIKOKIGWSA-N 1 0 328.362 4.498 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000589342390 1036739537 /nfs/dbraw/zinc/73/95/37/1036739537.db2.gz PJFOELSUHVLCNZ-GOSISDBHSA-N 1 0 341.252 4.406 20 30 EIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000589343349 1036742993 /nfs/dbraw/zinc/74/29/93/1036742993.db2.gz SBPNDXZKGOQUEV-RBBKRZOGSA-N 1 0 334.463 4.173 20 30 EIEDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]Cc1ccc(C#N)cc1F ZINC000589312533 1036744174 /nfs/dbraw/zinc/74/41/74/1036744174.db2.gz QLZMCQXEIQUXFV-JYRVWZFOSA-N 1 0 346.352 4.492 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c(C)c1 ZINC000589315678 1036744363 /nfs/dbraw/zinc/74/43/63/1036744363.db2.gz QBJJZTVCQMOSFL-UHFFFAOYSA-N 1 0 334.341 4.184 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000589319852 1036744987 /nfs/dbraw/zinc/74/49/87/1036744987.db2.gz UFWYSULLRHJQSL-LBPRGKRZSA-N 1 0 332.316 4.492 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000598700731 1036750547 /nfs/dbraw/zinc/75/05/47/1036750547.db2.gz PRJAMBBKROSSCG-GHTZIAJQSA-N 1 0 348.446 4.413 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000598721097 1036759089 /nfs/dbraw/zinc/75/90/89/1036759089.db2.gz SFIZAGDQOMKGIO-DLBZAZTESA-N 1 0 348.899 4.381 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000598721098 1036760765 /nfs/dbraw/zinc/76/07/65/1036760765.db2.gz SFIZAGDQOMKGIO-IAGOWNOFSA-N 1 0 348.899 4.381 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000598724806 1036761560 /nfs/dbraw/zinc/76/15/60/1036761560.db2.gz RDDDZSVHLCBCJB-MPGHIAIKSA-N 1 0 326.484 4.177 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccncc1Cl ZINC000421827600 1036784209 /nfs/dbraw/zinc/78/42/09/1036784209.db2.gz YKMJXFHDEATCDC-ZDUSSCGKSA-N 1 0 331.872 4.191 20 30 EIEDRO Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)cc1 ZINC000486693426 1036814153 /nfs/dbraw/zinc/81/41/53/1036814153.db2.gz INBIGNWHUHRLBD-UHFFFAOYSA-N 1 0 332.447 4.270 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)s1 ZINC000421879451 1036831702 /nfs/dbraw/zinc/83/17/02/1036831702.db2.gz NEUSZBRFIZOJPC-SCLBCKFNSA-N 1 0 330.428 4.016 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(Br)cc32)s1 ZINC000421872512 1036841560 /nfs/dbraw/zinc/84/15/60/1036841560.db2.gz GUNKUNODYMPXJR-OAHLLOKOSA-N 1 0 333.254 4.159 20 30 EIEDRO CSc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000599002361 1036842826 /nfs/dbraw/zinc/84/28/26/1036842826.db2.gz UDKYCMKJWLZTPN-UHFFFAOYSA-N 1 0 338.476 4.076 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000668683702 1036852286 /nfs/dbraw/zinc/85/22/86/1036852286.db2.gz OAUKGQACZGAICW-LEWJYISDSA-N 1 0 325.452 4.099 20 30 EIEDRO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CC1(C#N)CCC1 ZINC001307423608 1036870666 /nfs/dbraw/zinc/87/06/66/1036870666.db2.gz KPPHUJNRSHVAMX-AWEZNQCLSA-N 1 0 341.282 4.260 20 30 EIEDRO COc1ccc([C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000599095988 1036877118 /nfs/dbraw/zinc/87/71/18/1036877118.db2.gz JZQKMPBWFGDHKO-FPOVZHCZSA-N 1 0 333.435 4.080 20 30 EIEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593719274 1036928957 /nfs/dbraw/zinc/92/89/57/1036928957.db2.gz AWESPTIIZJBCBA-UZUQRXQVSA-N 1 0 345.490 4.046 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000593725942 1036942432 /nfs/dbraw/zinc/94/24/32/1036942432.db2.gz SMXRWJZZTZQBNG-OAQYLSRUSA-N 1 0 325.500 4.081 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000599313141 1036949641 /nfs/dbraw/zinc/94/96/41/1036949641.db2.gz FWNXEJSYLVJVBO-KRWDZBQOSA-N 1 0 331.419 4.388 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](CC(=O)OC(C)C)c2ccccc2)cc1C#N ZINC000599362125 1036977700 /nfs/dbraw/zinc/97/77/00/1036977700.db2.gz NGNPUDNHRXGUEO-HXUWFJFHSA-N 1 0 336.435 4.039 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)[C@@H]1CC[C@@H](C#N)C1 ZINC000590157704 1036994687 /nfs/dbraw/zinc/99/46/87/1036994687.db2.gz DEWJPPGAFSHOKT-RHSMWYFYSA-N 1 0 327.403 4.037 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(F)c(Br)c1 ZINC000590192633 1037008277 /nfs/dbraw/zinc/00/82/77/1037008277.db2.gz ICWJVOIGAYQXLL-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1 ZINC000590190448 1037008771 /nfs/dbraw/zinc/00/87/71/1037008771.db2.gz DYUFKWKSNOYYTN-RHSMWYFYSA-N 1 0 348.874 4.203 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)cc1C#N ZINC000599452398 1037011148 /nfs/dbraw/zinc/01/11/48/1037011148.db2.gz PBZBLPXQMUSYPP-NRFANRHFSA-N 1 0 332.447 4.026 20 30 EIEDRO C=CCC[N@@H+](C)[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000467303540 1037063070 /nfs/dbraw/zinc/06/30/70/1037063070.db2.gz AWSQYZKRQGLBPB-HXUWFJFHSA-N 1 0 338.451 4.191 20 30 EIEDRO COc1ccccc1[C@@H](CNc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000603871577 1037067342 /nfs/dbraw/zinc/06/73/42/1037067342.db2.gz GVURILVEFQOIBN-HXUWFJFHSA-N 1 0 335.451 4.206 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)cc1Br ZINC000272002311 1037075608 /nfs/dbraw/zinc/07/56/08/1037075608.db2.gz HWBRTZUKXBGRPN-LLVKDONJSA-N 1 0 325.250 4.048 20 30 EIEDRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC000599653303 1037118697 /nfs/dbraw/zinc/11/86/97/1037118697.db2.gz TUSIXQOEKZTQCE-RPCCPQHDSA-N 1 0 333.273 4.319 20 30 EIEDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000590644689 1037130887 /nfs/dbraw/zinc/13/08/87/1037130887.db2.gz RVVBXWFSMMLNSG-YLJYHZDGSA-N 1 0 340.515 4.117 20 30 EIEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000590647542 1037133144 /nfs/dbraw/zinc/13/31/44/1037133144.db2.gz PKAFQINROQGMKF-UHFFFAOYSA-N 1 0 328.456 4.204 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)ccn1 ZINC000590757269 1037153375 /nfs/dbraw/zinc/15/33/75/1037153375.db2.gz PORJICQOIGLPLP-UHFFFAOYSA-N 1 0 343.833 4.153 20 30 EIEDRO C=CCC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000487596136 1037163729 /nfs/dbraw/zinc/16/37/29/1037163729.db2.gz OAVAZVQGGQOOAN-LEWJYISDSA-N 1 0 336.479 4.156 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000590779260 1037163909 /nfs/dbraw/zinc/16/39/09/1037163909.db2.gz KDUHQHYPRNMGGL-MRXNPFEDSA-N 1 0 331.341 4.139 20 30 EIEDRO CN1CCC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000590780185 1037164268 /nfs/dbraw/zinc/16/42/68/1037164268.db2.gz XMTFWHRBQXCDNU-RTWAWAEBSA-N 1 0 331.463 4.497 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)cc1 ZINC000569861632 1037185773 /nfs/dbraw/zinc/18/57/73/1037185773.db2.gz XUAWPOKTIZHYMR-QFIPXVFZSA-N 1 0 349.474 4.435 20 30 EIEDRO C[C@@H]1C[C@@H](Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000272827057 1037304826 /nfs/dbraw/zinc/30/48/26/1037304826.db2.gz HFKQJYZBMIMBEZ-XLIONFOSSA-N 1 0 335.451 4.054 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(C)c(OC)c2)ccc1OC ZINC000057968950 1037363541 /nfs/dbraw/zinc/36/35/41/1037363541.db2.gz HQURRHHCWUHQGX-UHFFFAOYSA-N 1 0 341.451 4.257 20 30 EIEDRO Cc1cc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)ccc1C#N ZINC000488118648 1037369866 /nfs/dbraw/zinc/36/98/66/1037369866.db2.gz BGMTYVPFKNWAIB-UHFFFAOYSA-N 1 0 348.446 4.197 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncccc1C(F)(F)F ZINC000591357471 1037392568 /nfs/dbraw/zinc/39/25/68/1037392568.db2.gz BNNXTFVWPFQLNI-MRXNPFEDSA-N 1 0 331.341 4.139 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000166653737 1037393996 /nfs/dbraw/zinc/39/39/96/1037393996.db2.gz OVMFXAFMDVAORR-UAOJZALGSA-N 1 0 343.854 4.127 20 30 EIEDRO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2F)CC(C)C)c1 ZINC000604494626 1037408268 /nfs/dbraw/zinc/40/82/68/1037408268.db2.gz LGZJUKQOPOBMDV-UHFFFAOYSA-N 1 0 326.415 4.364 20 30 EIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000171563336 1037486258 /nfs/dbraw/zinc/48/62/58/1037486258.db2.gz SXLUMYKIUFRALW-ZWKOTPCHSA-N 1 0 338.451 4.151 20 30 EIEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000171563326 1037486710 /nfs/dbraw/zinc/48/67/10/1037486710.db2.gz SXLUMYKIUFRALW-MSOLQXFVSA-N 1 0 338.451 4.151 20 30 EIEDRO N#CCCC1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000573441581 1037496203 /nfs/dbraw/zinc/49/62/03/1037496203.db2.gz CVBHQWRZTZVGSA-UHFFFAOYSA-N 1 0 335.451 4.176 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000488336750 1037518174 /nfs/dbraw/zinc/51/81/74/1037518174.db2.gz UOYGTUZGMNAWTP-RTWAWAEBSA-N 1 0 340.511 4.213 20 30 EIEDRO COc1ccc(C[N@H+](CCCC(C)(C)C#N)CC2CC2)c(OC)c1 ZINC000503208978 1037611532 /nfs/dbraw/zinc/61/15/32/1037611532.db2.gz LSJPSHHKIMDWHG-UHFFFAOYSA-N 1 0 330.472 4.246 20 30 EIEDRO N#CCCC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000573680578 1037625367 /nfs/dbraw/zinc/62/53/67/1037625367.db2.gz DUMKXCLALMWYQY-UHFFFAOYSA-N 1 0 347.462 4.455 20 30 EIEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccnc(C#N)c1 ZINC000591855035 1037643503 /nfs/dbraw/zinc/64/35/03/1037643503.db2.gz NHLXZKHKCNYRHL-UHFFFAOYSA-N 1 0 333.357 4.037 20 30 EIEDRO C=C(C)C[N@H+](CC)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000488586653 1037681878 /nfs/dbraw/zinc/68/18/78/1037681878.db2.gz LGUISDGDMQQACJ-FQEVSTJZSA-N 1 0 342.508 4.242 20 30 EIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]Cc1ccncc1C#N ZINC000592101191 1037730644 /nfs/dbraw/zinc/73/06/44/1037730644.db2.gz XDUIXORXFVBMDH-STQMWFEESA-N 1 0 333.357 4.254 20 30 EIEDRO C[C@H]([NH2+]Cc1ccncc1C#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000592101189 1037731407 /nfs/dbraw/zinc/73/14/07/1037731407.db2.gz XDUIXORXFVBMDH-OLZOCXBDSA-N 1 0 333.357 4.254 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1c(C)cc(C)cc1C)C(C)C ZINC000503432803 1037756785 /nfs/dbraw/zinc/75/67/85/1037756785.db2.gz ABTCIXJFUROOHC-LJQANCHMSA-N 1 0 343.515 4.432 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CC=CC2)ccc1C#N ZINC000592176797 1037771359 /nfs/dbraw/zinc/77/13/59/1037771359.db2.gz DWSTVUYURAVHFQ-NRFANRHFSA-N 1 0 332.447 4.026 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=S)Nc1cc(C)ccc1C)C(C)C ZINC000911613796 1037783161 /nfs/dbraw/zinc/78/31/61/1037783161.db2.gz HAZUGRCMFSQTBF-IBGZPJMESA-N 1 0 345.556 4.288 20 30 EIEDRO N#CCCC1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000592517560 1037823319 /nfs/dbraw/zinc/82/33/19/1037823319.db2.gz RZSCZSGGTZXQBS-UHFFFAOYSA-N 1 0 329.444 4.465 20 30 EIEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2cccc3ccccc32)CC1 ZINC000058580352 1037871651 /nfs/dbraw/zinc/87/16/51/1037871651.db2.gz FDTUSPNRNYKKPA-UHFFFAOYSA-N 1 0 341.458 4.424 20 30 EIEDRO N#CC1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCCC1 ZINC000593653600 1038115194 /nfs/dbraw/zinc/11/51/94/1038115194.db2.gz RJYSJXQNFWYGAN-UHFFFAOYSA-N 1 0 349.881 4.117 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccco1 ZINC000593720548 1038141954 /nfs/dbraw/zinc/14/19/54/1038141954.db2.gz HFPPQKYFAKXLOW-NRFANRHFSA-N 1 0 349.478 4.413 20 30 EIEDRO C=CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489679596 1038206546 /nfs/dbraw/zinc/20/65/46/1038206546.db2.gz MTWIIVNJYWCDRH-VXKWHMMOSA-N 1 0 348.490 4.079 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)ccc1F ZINC000594020025 1038211570 /nfs/dbraw/zinc/21/15/70/1038211570.db2.gz ULPPHLXSZFODDH-UHFFFAOYSA-N 1 0 346.409 4.020 20 30 EIEDRO CC(C)(C)OC(=O)c1cccc(C[NH+]2CCC(CCC#N)CC2)c1 ZINC000574449593 1038247807 /nfs/dbraw/zinc/24/78/07/1038247807.db2.gz GCOMSUSNLSPETD-UHFFFAOYSA-N 1 0 328.456 4.158 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C)c1ccc(C#N)cc1F ZINC000489905470 1038264357 /nfs/dbraw/zinc/26/43/57/1038264357.db2.gz HFLDNTKJIQVLNG-QYWGDWMGSA-N 1 0 337.442 4.011 20 30 EIEDRO CC[NH+](CC)[C@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000912777444 1038290679 /nfs/dbraw/zinc/29/06/79/1038290679.db2.gz DKKGWRWJAICFSK-FYYJVHHASA-N 1 0 347.462 4.442 20 30 EIEDRO COC(=O)c1cccc(CN[C@H](C)c2ccc(C3CC3)cc2)c1C#N ZINC000574505050 1038294026 /nfs/dbraw/zinc/29/40/26/1038294026.db2.gz TXRIODNQMJPNKL-CQSZACIVSA-N 1 0 334.419 4.073 20 30 EIEDRO CC(C)(C)C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594434006 1038333217 /nfs/dbraw/zinc/33/32/17/1038333217.db2.gz WHVKGCPBMBGCTK-IAGOWNOFSA-N 1 0 349.906 4.345 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000594440141 1038335870 /nfs/dbraw/zinc/33/58/70/1038335870.db2.gz UUXJJSOILPWERO-KRWDZBQOSA-N 1 0 347.890 4.027 20 30 EIEDRO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499954 1038348124 /nfs/dbraw/zinc/34/81/24/1038348124.db2.gz IFYBBXVULOJHPM-FOIQADDNSA-N 1 0 340.442 4.493 20 30 EIEDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499955 1038348857 /nfs/dbraw/zinc/34/88/57/1038348857.db2.gz IFYBBXVULOJHPM-MGPUTAFESA-N 1 0 340.442 4.493 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000594501086 1038349065 /nfs/dbraw/zinc/34/90/65/1038349065.db2.gz HQGIUJIDKGPAQU-UHFFFAOYSA-N 1 0 339.508 4.155 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000594506558 1038350857 /nfs/dbraw/zinc/35/08/57/1038350857.db2.gz BOQQGHSITQDZOJ-OAQYLSRUSA-N 1 0 337.442 4.407 20 30 EIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594514621 1038358815 /nfs/dbraw/zinc/35/88/15/1038358815.db2.gz JTHIACHLGAENMP-OAHLLOKOSA-N 1 0 333.435 4.247 20 30 EIEDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594513272 1038358928 /nfs/dbraw/zinc/35/89/28/1038358928.db2.gz MIFUBCIEIHZGTR-LJQANCHMSA-N 1 0 336.435 4.110 20 30 EIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCCO2 ZINC000594514594 1038358978 /nfs/dbraw/zinc/35/89/78/1038358978.db2.gz IZMOOSFFRBJZQI-INIZCTEOSA-N 1 0 348.446 4.450 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C/C=C\c3ccccc3[N+](=O)[O-])CCC2)cc1 ZINC000594519889 1038361300 /nfs/dbraw/zinc/36/13/00/1038361300.db2.gz MNQYOPCAVBIAEU-UTCJRWHESA-N 1 0 333.391 4.149 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)c(C(F)(F)F)c1 ZINC000594521409 1038363531 /nfs/dbraw/zinc/36/35/31/1038363531.db2.gz CMUASDUUHIPIQD-HNNXBMFYSA-N 1 0 338.373 4.158 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000594611874 1038383843 /nfs/dbraw/zinc/38/38/43/1038383843.db2.gz OSCVTPSNGFKNCM-CVEARBPZSA-N 1 0 326.362 4.014 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCCO3)cc2)CC1 ZINC000594916974 1038423998 /nfs/dbraw/zinc/42/39/98/1038423998.db2.gz DWNFJUSWBIACKX-LEWJYISDSA-N 1 0 332.447 4.252 20 30 EIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594914143 1038425938 /nfs/dbraw/zinc/42/59/38/1038425938.db2.gz DKQSYNFUSFYHCO-OAHLLOKOSA-N 1 0 333.435 4.051 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000063550524 1038433180 /nfs/dbraw/zinc/43/31/80/1038433180.db2.gz GXAJNWLWAZKXQL-FQEVSTJZSA-N 1 0 335.451 4.264 20 30 EIEDRO CC(C)([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1cccc(C#N)c1 ZINC000594969250 1038485626 /nfs/dbraw/zinc/48/56/26/1038485626.db2.gz VPLGDMHYBTXBHC-UHFFFAOYSA-N 1 0 342.826 4.008 20 30 EIEDRO Cc1cc(C)cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000594972630 1038485640 /nfs/dbraw/zinc/48/56/40/1038485640.db2.gz DHCKEDVCTVUFKW-UHFFFAOYSA-N 1 0 344.462 4.370 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1cccc(C#N)c1 ZINC000594969312 1038485749 /nfs/dbraw/zinc/48/57/49/1038485749.db2.gz PCSROTBBVRPOEA-UHFFFAOYSA-N 1 0 334.341 4.324 20 30 EIEDRO N#CC1(c2ccc(CNc3ccc(CC[NH+]4CCCC4)cc3)cc2)CC1 ZINC000594938300 1038495377 /nfs/dbraw/zinc/49/53/77/1038495377.db2.gz ZXTFLUOGWOOXJD-UHFFFAOYSA-N 1 0 345.490 4.492 20 30 EIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594941696 1038508868 /nfs/dbraw/zinc/50/88/68/1038508868.db2.gz YZKWNDXGSMXVNF-IBGZPJMESA-N 1 0 336.410 4.167 20 30 EIEDRO CC(C)([NH2+]Cc1cc(Cl)cc2c1OCC2)c1cccc(C#N)c1 ZINC000594966827 1038559942 /nfs/dbraw/zinc/55/99/42/1038559942.db2.gz AXFHTYIDHWUFLS-UHFFFAOYSA-N 1 0 326.827 4.171 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000424174214 1038728028 /nfs/dbraw/zinc/72/80/28/1038728028.db2.gz RHLIDHQEFCSMDU-AHIVSBDTSA-N 1 0 325.374 4.289 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCC[C@H](C4CC4)C3)CC2)cc1 ZINC000424209363 1038728298 /nfs/dbraw/zinc/72/82/98/1038728298.db2.gz UDJRRZLSOAKSMJ-RBBKRZOGSA-N 1 0 337.511 4.081 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000424197022 1038733735 /nfs/dbraw/zinc/73/37/35/1038733735.db2.gz HHJMZZJCFQRZCC-IFXJQAMLSA-N 1 0 326.390 4.379 20 30 EIEDRO CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424196000 1038734225 /nfs/dbraw/zinc/73/42/25/1038734225.db2.gz MRZFEXUDIVVSPF-SWLSCSKDSA-N 1 0 337.261 4.020 20 30 EIEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000424203801 1038739361 /nfs/dbraw/zinc/73/93/61/1038739361.db2.gz RWYMBGPYTXNPSS-UHFFFAOYSA-N 1 0 332.806 4.384 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(OC(C)C)cc1 ZINC000424298530 1038774971 /nfs/dbraw/zinc/77/49/71/1038774971.db2.gz SOMSGCOEAWVMLD-WJMWBRGCSA-N 1 0 329.484 4.291 20 30 EIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCCc2nc(C)sc21)C(C)C ZINC000480765318 1038789047 /nfs/dbraw/zinc/78/90/47/1038789047.db2.gz ZHFGQZSKMRLVJQ-FUHWJXTLSA-N 1 0 333.545 4.117 20 30 EIEDRO C[C@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000424317211 1038800657 /nfs/dbraw/zinc/80/06/57/1038800657.db2.gz DVZREAVUFFOTDH-ZDUSSCGKSA-N 1 0 334.435 4.106 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ccncc2CC)ccc1OC ZINC000539104479 1038842938 /nfs/dbraw/zinc/84/29/38/1038842938.db2.gz GQUCYUAKTLOAOD-INIZCTEOSA-N 1 0 340.467 4.458 20 30 EIEDRO CCCC(C)(C)[N@H+](CC(=O)N(CC)C[C@H](C)C#N)Cc1cccs1 ZINC000555071067 1038857305 /nfs/dbraw/zinc/85/73/05/1038857305.db2.gz LAMCLXNIBZYXGM-MRXNPFEDSA-N 1 0 349.544 4.137 20 30 EIEDRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000462067527 1038883658 /nfs/dbraw/zinc/88/36/58/1038883658.db2.gz MJWHRYXGOKTCAA-OIISXLGYSA-N 1 0 335.289 4.442 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000505036836 1038909678 /nfs/dbraw/zinc/90/96/78/1038909678.db2.gz ZYOBIAUWLAXFNB-IAGOWNOFSA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539305758 1038972335 /nfs/dbraw/zinc/97/23/35/1038972335.db2.gz OMTMVJVPBOYTCW-JXFKEZNVSA-N 1 0 343.442 4.382 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000539333582 1038981608 /nfs/dbraw/zinc/98/16/08/1038981608.db2.gz HQJUUZMCENNALF-RXVVDRJESA-N 1 0 339.866 4.449 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1 ZINC000174542062 1038994954 /nfs/dbraw/zinc/99/49/54/1038994954.db2.gz URCRSGXIRIBFMF-GOSISDBHSA-N 1 0 326.465 4.095 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+]CC(C)C)cc1OCC ZINC000057901459 1039017372 /nfs/dbraw/zinc/01/73/72/1039017372.db2.gz SHOWYDKFTXEDGR-UHFFFAOYSA-N 1 0 342.277 4.158 20 30 EIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000057907724 1039020115 /nfs/dbraw/zinc/02/01/15/1039020115.db2.gz RVUPINKENNOTIA-UHFFFAOYSA-N 1 0 345.240 4.445 20 30 EIEDRO C=C(C)C[N@@H+](C)CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000481250348 1039167862 /nfs/dbraw/zinc/16/78/62/1039167862.db2.gz CQIQHJCXUPTESR-HXUWFJFHSA-N 1 0 342.870 4.054 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000600118469 1039277547 /nfs/dbraw/zinc/27/75/47/1039277547.db2.gz WMNWSGIWLWDTQW-UHFFFAOYSA-N 1 0 331.419 4.083 20 30 EIEDRO CCc1nc(C(C)C)ccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000555503245 1039309118 /nfs/dbraw/zinc/30/91/18/1039309118.db2.gz SSWYGJGXDIWJDS-UHFFFAOYSA-N 1 0 348.494 4.220 20 30 EIEDRO COc1ccc(C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)cc1C#N ZINC000481333828 1039325555 /nfs/dbraw/zinc/32/55/55/1039325555.db2.gz AAZVUMDFJVQCDN-HXUWFJFHSA-N 1 0 349.478 4.497 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH+]2CCC(CC#N)CC2)cc1OC ZINC000600147461 1039327563 /nfs/dbraw/zinc/32/75/63/1039327563.db2.gz NTUVVOSFSRRUMW-UHFFFAOYSA-N 1 0 334.847 4.039 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000481358860 1039338379 /nfs/dbraw/zinc/33/83/79/1039338379.db2.gz JWKOEXNSXJYFKQ-KPZWWZAWSA-N 1 0 332.806 4.217 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481378610 1039363684 /nfs/dbraw/zinc/36/36/84/1039363684.db2.gz LDLRRYXSZYUIGP-YJYMSZOUSA-N 1 0 344.842 4.086 20 30 EIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CC(C)(C)C)sc2C1 ZINC000555549843 1039365182 /nfs/dbraw/zinc/36/51/82/1039365182.db2.gz IJQASRFAPCETOA-ZDUSSCGKSA-N 1 0 347.528 4.051 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000481446063 1039442117 /nfs/dbraw/zinc/44/21/17/1039442117.db2.gz RTMXGOMOARRLFJ-KPZWWZAWSA-N 1 0 332.806 4.217 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1OC ZINC000092788759 1039588759 /nfs/dbraw/zinc/58/87/59/1039588759.db2.gz VXSPQSVBBPBOAH-MRXNPFEDSA-N 1 0 344.480 4.096 20 30 EIEDRO C[C@@H](c1ccc2ccccc2c1)[N@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000092796192 1039594445 /nfs/dbraw/zinc/59/44/45/1039594445.db2.gz OSAGFXNBXJRABF-KRWDZBQOSA-N 1 0 349.478 4.127 20 30 EIEDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093845390 1039761166 /nfs/dbraw/zinc/76/11/66/1039761166.db2.gz VEFYSDKIMCJHCO-NRFANRHFSA-N 1 0 337.467 4.435 20 30 EIEDRO C=CCOc1ccc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1Cl ZINC000537646967 1039800891 /nfs/dbraw/zinc/80/08/91/1039800891.db2.gz DZFCJBIWTROUOV-GOSISDBHSA-N 1 0 348.918 4.069 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000482001750 1039944354 /nfs/dbraw/zinc/94/43/54/1039944354.db2.gz VAQZMJQIMMWRHC-PLACYPQZSA-N 1 0 336.479 4.263 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000482001751 1039946148 /nfs/dbraw/zinc/94/61/48/1039946148.db2.gz VAQZMJQIMMWRHC-UWHLTILDSA-N 1 0 336.479 4.263 20 30 EIEDRO C=CC[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000505584801 1039967703 /nfs/dbraw/zinc/96/77/03/1039967703.db2.gz BYJSAYKVIYVQBO-DZFGPLHGSA-N 1 0 336.479 4.154 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000478964322 1040045266 /nfs/dbraw/zinc/04/52/66/1040045266.db2.gz PXGGUUUIKXIHFV-IBGZPJMESA-N 1 0 344.380 4.243 20 30 EIEDRO C=CCC[C@H](NC(=O)NC1CC[NH+](CCCC)CC1)c1ccccc1 ZINC000435098453 1040067510 /nfs/dbraw/zinc/06/75/10/1040067510.db2.gz YOXIBQVTVBKJLY-FQEVSTJZSA-N 1 0 343.515 4.258 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000476979111 1040078915 /nfs/dbraw/zinc/07/89/15/1040078915.db2.gz CTJRGXITBDTMNJ-QGZVFWFLSA-N 1 0 343.490 4.174 20 30 EIEDRO Cc1ccccc1[C@H]([C@H](C)Nc1ncc(C#N)cc1Cl)[NH+](C)C ZINC000553318985 1040150353 /nfs/dbraw/zinc/15/03/53/1040150353.db2.gz LSKNMXXQUFUZCK-GUYCJALGSA-N 1 0 328.847 4.018 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1OC ZINC000194351090 1040281593 /nfs/dbraw/zinc/28/15/93/1040281593.db2.gz WYROYANOHVLEPL-HUUCEWRRSA-N 1 0 340.423 4.018 20 30 EIEDRO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000479469955 1040397576 /nfs/dbraw/zinc/39/75/76/1040397576.db2.gz XVZSKUDVIUSIIZ-INIZCTEOSA-N 1 0 337.442 4.265 20 30 EIEDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000479491152 1040401582 /nfs/dbraw/zinc/40/15/82/1040401582.db2.gz UWOKFMABSRYIQO-OXJNMPFZSA-N 1 0 340.442 4.386 20 30 EIEDRO C=CC[NH+]1CCC(N[C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000482651605 1040412569 /nfs/dbraw/zinc/41/25/69/1040412569.db2.gz NQVBPJWTYVCWCU-NSHDSACASA-N 1 0 331.262 4.434 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000539467187 1040460711 /nfs/dbraw/zinc/46/07/11/1040460711.db2.gz VOIPUUVBWNGNNU-FHWLQOOXSA-N 1 0 335.536 4.027 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000539495073 1040470673 /nfs/dbraw/zinc/47/06/73/1040470673.db2.gz CQQIAZPYMVVXLK-IFXJQAMLSA-N 1 0 327.859 4.165 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000539497713 1040489019 /nfs/dbraw/zinc/48/90/19/1040489019.db2.gz RXADZRSCFJJAAL-KCZVDYSFSA-N 1 0 337.511 4.081 20 30 EIEDRO N#Cc1cccc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)c1 ZINC000539520794 1040506407 /nfs/dbraw/zinc/50/64/07/1040506407.db2.gz IALOWJSAHXVILW-UHFFFAOYSA-N 1 0 327.840 4.154 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000482899291 1040561213 /nfs/dbraw/zinc/56/12/13/1040561213.db2.gz JZPBARBPSBWOGQ-KRWDZBQOSA-N 1 0 333.435 4.288 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000435730624 1040564394 /nfs/dbraw/zinc/56/43/94/1040564394.db2.gz GIVHMCVERBHWRG-ABAIWWIYSA-N 1 0 330.255 4.073 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000435745498 1040599800 /nfs/dbraw/zinc/59/98/00/1040599800.db2.gz NHESQYAMOGTVCM-SWLSCSKDSA-N 1 0 344.680 4.173 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000435763253 1040602797 /nfs/dbraw/zinc/60/27/97/1040602797.db2.gz QIUJWBFPPFEPBD-PMACEKPBSA-N 1 0 343.515 4.210 20 30 EIEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)CC12CCCCC2 ZINC000462464222 1040622280 /nfs/dbraw/zinc/62/22/80/1040622280.db2.gz OAIBUVNGTKWWBG-HNNXBMFYSA-N 1 0 345.512 4.241 20 30 EIEDRO C=CCC1(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)CCC1 ZINC000479864883 1040750846 /nfs/dbraw/zinc/75/08/46/1040750846.db2.gz JRZLNONDIWPRPW-KRWDZBQOSA-N 1 0 342.483 4.092 20 30 EIEDRO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000552003082 1040759641 /nfs/dbraw/zinc/75/96/41/1040759641.db2.gz NPOHVNWKMYBBJW-KRWDZBQOSA-N 1 0 346.540 4.105 20 30 EIEDRO CC[N@H+](Cc1cc(C#N)n(C)c1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000483186748 1040763280 /nfs/dbraw/zinc/76/32/80/1040763280.db2.gz RJWJRXXKPOVRSK-CYBMUJFWSA-N 1 0 335.373 4.499 20 30 EIEDRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000479995418 1040853865 /nfs/dbraw/zinc/85/38/65/1040853865.db2.gz LBFURHDMOPGJCU-ICSRJNTNSA-N 1 0 336.483 4.263 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)n1)c1ccc(C#N)cc1 ZINC000924786761 1040869929 /nfs/dbraw/zinc/86/99/29/1040869929.db2.gz SYEXITQZAQJBAP-NEPJUHHUSA-N 1 0 330.229 4.128 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]Cc2cc(-c3ccccc3)cs2)cc1 ZINC000462762914 1040899810 /nfs/dbraw/zinc/89/98/10/1040899810.db2.gz CJSHWEVVUIBAMF-UHFFFAOYSA-N 1 0 334.444 4.455 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)ccc1OC ZINC000462768064 1040902968 /nfs/dbraw/zinc/90/29/68/1040902968.db2.gz UPXFPOMJSBQFSZ-UXHICEINSA-N 1 0 337.463 4.371 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000537957676 1040927005 /nfs/dbraw/zinc/92/70/05/1040927005.db2.gz QJWKNRARDRVGKV-KKUMJFAQSA-N 1 0 329.406 4.047 20 30 EIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(Br)cc1C#N ZINC000554266293 1040929102 /nfs/dbraw/zinc/92/91/02/1040929102.db2.gz VIYYZWQPFMEHRK-CYBMUJFWSA-N 1 0 349.194 4.387 20 30 EIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000537957954 1040929352 /nfs/dbraw/zinc/92/93/52/1040929352.db2.gz ALVHRRFJWUEZNU-CABCVRRESA-N 1 0 329.513 4.455 20 30 EIEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539972959 1040949738 /nfs/dbraw/zinc/94/97/38/1040949738.db2.gz CBOPXRUTQRORGF-CHWSQXEVSA-N 1 0 348.899 4.410 20 30 EIEDRO C=C(C)C(C)(C)C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000425488167 1040965249 /nfs/dbraw/zinc/96/52/49/1040965249.db2.gz ZSAQOUGYTVCXNJ-UHFFFAOYSA-N 1 0 332.513 4.085 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)c(C)c1OC ZINC000554294338 1040969559 /nfs/dbraw/zinc/96/95/59/1040969559.db2.gz ZCBDSBLCRZTOIF-OAHLLOKOSA-N 1 0 343.854 4.368 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCC(C(C)(C)C)CC1 ZINC000505776159 1040981968 /nfs/dbraw/zinc/98/19/68/1040981968.db2.gz HTPKVCVRTTZBAD-UHFFFAOYSA-N 1 0 341.499 4.424 20 30 EIEDRO C[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000436280466 1041024996 /nfs/dbraw/zinc/02/49/96/1041024996.db2.gz DTQFNGGYTLGFLM-HNAYVOBHSA-N 1 0 329.463 4.145 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC[N@@H+](C4CCCC4)CC3)c2c1 ZINC000462867699 1041048728 /nfs/dbraw/zinc/04/87/28/1041048728.db2.gz LZHRPQYZKMDVEN-UHFFFAOYSA-N 1 0 348.494 4.178 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000436292613 1041057410 /nfs/dbraw/zinc/05/74/10/1041057410.db2.gz SZGUFPSQTPJWAI-OZVIIMIRSA-N 1 0 342.252 4.220 20 30 EIEDRO C[C@H]1SCCN(Cc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000483982943 1041083341 /nfs/dbraw/zinc/08/33/41/1041083341.db2.gz VYGCTSNCKSDAIU-AUUYWEPGSA-N 1 0 326.440 4.376 20 30 EIEDRO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)c1ccccc1 ZINC000538152705 1041094435 /nfs/dbraw/zinc/09/44/35/1041094435.db2.gz GATDOSNLRQVOIV-OAHLLOKOSA-N 1 0 346.434 4.064 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000436308188 1041096319 /nfs/dbraw/zinc/09/63/19/1041096319.db2.gz LZSXSAGTEBZNSY-YSGRDPCXSA-N 1 0 344.405 4.020 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1 ZINC000538204945 1041139378 /nfs/dbraw/zinc/13/93/78/1041139378.db2.gz OGYOJUBDSVYCMN-CQSZACIVSA-N 1 0 344.455 4.287 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000538193808 1041160085 /nfs/dbraw/zinc/16/00/85/1041160085.db2.gz GOSFAKPCSWVBLC-QUCCMNQESA-N 1 0 325.839 4.059 20 30 EIEDRO COC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000538211410 1041172208 /nfs/dbraw/zinc/17/22/08/1041172208.db2.gz SKELZBXNWDLEBP-GOSISDBHSA-N 1 0 333.353 4.034 20 30 EIEDRO CC(C)CNC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425542081 1041218517 /nfs/dbraw/zinc/21/85/17/1041218517.db2.gz YBPXFRPWFDGQCC-KRWDZBQOSA-N 1 0 349.478 4.137 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000538287234 1041222580 /nfs/dbraw/zinc/22/25/80/1041222580.db2.gz WJXYBJJSFUOJTD-DLBZAZTESA-N 1 0 349.544 4.004 20 30 EIEDRO CC[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000540187922 1041232258 /nfs/dbraw/zinc/23/22/58/1041232258.db2.gz HNRWYDNBRRSPGO-SFHVURJKSA-N 1 0 346.377 4.279 20 30 EIEDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1cc(C#N)ccc1F ZINC000484438442 1041237194 /nfs/dbraw/zinc/23/71/94/1041237194.db2.gz CUOYZBFQOYPWKC-UHFFFAOYSA-N 1 0 345.487 4.103 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)c(OC(F)F)c1 ZINC000538389984 1041307732 /nfs/dbraw/zinc/30/77/32/1041307732.db2.gz MVHHTMFQXNPUJQ-GOSISDBHSA-N 1 0 328.362 4.401 20 30 EIEDRO CC(C)CC[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000538393411 1041313027 /nfs/dbraw/zinc/31/30/27/1041313027.db2.gz XXDDWJUAMOXAKA-HNNXBMFYSA-N 1 0 335.517 4.389 20 30 EIEDRO CCC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000480525446 1041358413 /nfs/dbraw/zinc/35/84/13/1041358413.db2.gz IQQXPCPICCLNFP-KSZLIROESA-N 1 0 332.875 4.237 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccc(F)c1F ZINC000538459824 1041364838 /nfs/dbraw/zinc/36/48/38/1041364838.db2.gz MZVXMPJACNRCEE-ZDUSSCGKSA-N 1 0 332.419 4.420 20 30 EIEDRO N#Cc1cc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)ccc1F ZINC000120693236 1041367429 /nfs/dbraw/zinc/36/74/29/1041367429.db2.gz PYICQQWERVBJFM-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO CC[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccccc1OC(F)F ZINC000540352628 1041393935 /nfs/dbraw/zinc/39/39/35/1041393935.db2.gz RMKPPODMEMSOCF-MRXNPFEDSA-N 1 0 346.377 4.279 20 30 EIEDRO O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000463214927 1041428042 /nfs/dbraw/zinc/42/80/42/1041428042.db2.gz NFAHHUVNORPVDS-YZGWKJHDSA-N 1 0 331.887 4.097 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000540396606 1041440418 /nfs/dbraw/zinc/44/04/18/1041440418.db2.gz QDAFITCKKGMEIO-PKOBYXMFSA-N 1 0 325.452 4.101 20 30 EIEDRO C=CCn1c(SCCC[NH+]2CCCC2)nnc1-c1ccccc1C ZINC000195037902 1041447228 /nfs/dbraw/zinc/44/72/28/1041447228.db2.gz KWTMXLSPSFJEPJ-UHFFFAOYSA-N 1 0 342.512 4.018 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000463244910 1041451562 /nfs/dbraw/zinc/45/15/62/1041451562.db2.gz ZYRHASMDUVROOA-HZSPNIEDSA-N 1 0 338.282 4.244 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]CCC3=CCCCCC3)CC2)cc1 ZINC000463266211 1041462427 /nfs/dbraw/zinc/46/24/27/1041462427.db2.gz LMAIIRZSMPVVFR-UHFFFAOYSA-N 1 0 337.511 4.393 20 30 EIEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000463280243 1041470133 /nfs/dbraw/zinc/47/01/33/1041470133.db2.gz CRXFTBLMUOQBNX-BBRMVZONSA-N 1 0 335.289 4.399 20 30 EIEDRO CCCC1CCC([N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000484877094 1041475974 /nfs/dbraw/zinc/47/59/74/1041475974.db2.gz RMCOKHGGPSDHFC-UHFFFAOYSA-N 1 0 338.455 4.399 20 30 EIEDRO COC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(F)cc1 ZINC000540477180 1041480579 /nfs/dbraw/zinc/48/05/79/1041480579.db2.gz PBOFRVCMNAYUHU-LJQANCHMSA-N 1 0 326.415 4.104 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1Cl ZINC000463295803 1041481514 /nfs/dbraw/zinc/48/15/14/1041481514.db2.gz PLVOSPFIHCNVIE-TXPKVOOTSA-N 1 0 333.907 4.395 20 30 EIEDRO C[C@@H]1CSCC[N@@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000538732229 1041506148 /nfs/dbraw/zinc/50/61/48/1041506148.db2.gz VVAWPFGPSNAZKX-MRXNPFEDSA-N 1 0 338.476 4.075 20 30 EIEDRO C=CCc1cc(C[N@@H+](C)[C@H]2CC[C@H](SCC)C2)cc(OC)c1O ZINC000538725320 1041516882 /nfs/dbraw/zinc/51/68/82/1041516882.db2.gz NVIBRWDHHFVALT-IRXDYDNUSA-N 1 0 335.513 4.235 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000540567678 1041538181 /nfs/dbraw/zinc/53/81/81/1041538181.db2.gz OHRQZZMZKWMCDA-VIQWUECVSA-N 1 0 335.536 4.074 20 30 EIEDRO C=C(C)C[N@@H+](CC)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000505898077 1041551971 /nfs/dbraw/zinc/55/19/71/1041551971.db2.gz KYWQPIQISCGXOP-UHFFFAOYSA-N 1 0 332.451 4.332 20 30 EIEDRO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H](C)OC ZINC000463419672 1041555287 /nfs/dbraw/zinc/55/52/87/1041555287.db2.gz WRLKOARNEZHVBJ-IBGZPJMESA-N 1 0 336.479 4.243 20 30 EIEDRO N#Cc1ccc(CNc2ccc(CC[NH+]3CCCCC3)cc2)s1 ZINC000538823420 1041556982 /nfs/dbraw/zinc/55/69/82/1041556982.db2.gz VBQXOABZNZQIDK-UHFFFAOYSA-N 1 0 325.481 4.260 20 30 EIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609152 1041561700 /nfs/dbraw/zinc/56/17/00/1041561700.db2.gz DKKTWCVJXMNQRC-GCJKJVERSA-N 1 0 344.462 4.464 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+][C@H]3CCC[C@@H](C4CC4)C3)CC2)nc1 ZINC000540628624 1041571307 /nfs/dbraw/zinc/57/13/07/1041571307.db2.gz VUSCMCPNDAAQDW-SOAISFHBSA-N 1 0 339.483 4.202 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)cc1 ZINC000538879370 1041572699 /nfs/dbraw/zinc/57/26/99/1041572699.db2.gz QJOBKEWYWCJFMP-YWZLYKJASA-N 1 0 329.415 4.256 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425664425 1041581067 /nfs/dbraw/zinc/58/10/67/1041581067.db2.gz OWNIEAIDPVGHHW-PKOBYXMFSA-N 1 0 341.499 4.096 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000128069012 1041585677 /nfs/dbraw/zinc/58/56/77/1041585677.db2.gz CASSGTIBMHTPSY-IRXDYDNUSA-N 1 0 335.451 4.243 20 30 EIEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CCC(C)(C)C#N)cc1OC ZINC000540663776 1041592489 /nfs/dbraw/zinc/59/24/89/1041592489.db2.gz CLUXLFVVAYAKJG-GOSISDBHSA-N 1 0 344.499 4.431 20 30 EIEDRO COc1cc(C[N@H+](CCC(C)(C)C#N)C2CC2)ccc1OC(F)F ZINC000540666683 1041594196 /nfs/dbraw/zinc/59/41/96/1041594196.db2.gz OANWDTLGRDWHMK-UHFFFAOYSA-N 1 0 338.398 4.201 20 30 EIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000540705452 1041605060 /nfs/dbraw/zinc/60/50/60/1041605060.db2.gz GMXKEPIPZPOKOF-KPZWWZAWSA-N 1 0 332.806 4.389 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540705552 1041605181 /nfs/dbraw/zinc/60/51/81/1041605181.db2.gz MSZRCPJICFCJSE-VPZZIHKRSA-N 1 0 330.378 4.263 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccnc(OC2CCCC2)c1)c1ccc(C#N)c(F)c1 ZINC000540705462 1041605564 /nfs/dbraw/zinc/60/55/64/1041605564.db2.gz HUAVNDWIJZNAFQ-CQSZACIVSA-N 1 0 339.414 4.265 20 30 EIEDRO C[C@@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540707521 1041606713 /nfs/dbraw/zinc/60/67/13/1041606713.db2.gz GXECRHXHUUYMLK-RYUDHWBXSA-N 1 0 334.341 4.094 20 30 EIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000463570848 1041649800 /nfs/dbraw/zinc/64/98/00/1041649800.db2.gz XWEIAXYFEJVQBD-KDOFPFPSSA-N 1 0 338.426 4.477 20 30 EIEDRO CC1(C#N)CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000506028264 1041754468 /nfs/dbraw/zinc/75/44/68/1041754468.db2.gz RLLKPKHIQHJJDN-DUXPYHPUSA-N 1 0 333.273 4.478 20 30 EIEDRO CC(C)OCc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000540976180 1041760802 /nfs/dbraw/zinc/76/08/02/1041760802.db2.gz KMSONQGBVSPTAD-OAHLLOKOSA-N 1 0 326.415 4.473 20 30 EIEDRO CC1(C#N)CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000506034871 1041767850 /nfs/dbraw/zinc/76/78/50/1041767850.db2.gz BHIDMZPMLQDGKL-UHFFFAOYSA-N 1 0 336.435 4.483 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)ccc1SC ZINC000090107558 1041832988 /nfs/dbraw/zinc/83/29/88/1041832988.db2.gz JNNJNPKUAYYLKG-CQSZACIVSA-N 1 0 342.464 4.018 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@H]1c1ccccc1 ZINC000437576345 1041844829 /nfs/dbraw/zinc/84/48/29/1041844829.db2.gz CCMOPDNVRPBDJC-LPHOPBHVSA-N 1 0 340.492 4.098 20 30 EIEDRO Cc1c(Cl)cnc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C#N ZINC000541280114 1041871896 /nfs/dbraw/zinc/87/18/96/1041871896.db2.gz QUTKVZJZBLVKNH-INIZCTEOSA-N 1 0 344.846 4.147 20 30 EIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000541314682 1041889645 /nfs/dbraw/zinc/88/96/45/1041889645.db2.gz JIIOOCXXAWGNCQ-FOIQADDNSA-N 1 0 336.435 4.159 20 30 EIEDRO CC#CCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000464570755 1042066305 /nfs/dbraw/zinc/06/63/05/1042066305.db2.gz QEBFATOLRWLPQY-SFHVURJKSA-N 1 0 334.891 4.033 20 30 EIEDRO CC1(C)CCCC[C@H]1[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000541776234 1042100870 /nfs/dbraw/zinc/10/08/70/1042100870.db2.gz QXIKHPDJLYVHGG-DAWZGUTISA-N 1 0 327.472 4.202 20 30 EIEDRO COc1ccc(C[N@@H+]2CCCCC(C)(C)C2)cc1OCCCC#N ZINC000438345843 1042146222 /nfs/dbraw/zinc/14/62/22/1042146222.db2.gz BGSFOTZKEGWLQE-UHFFFAOYSA-N 1 0 330.472 4.390 20 30 EIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000438472279 1042190561 /nfs/dbraw/zinc/19/05/61/1042190561.db2.gz XJRXKPPTOKSAKV-INIZCTEOSA-N 1 0 328.378 4.436 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)cc1OC ZINC000438484300 1042202930 /nfs/dbraw/zinc/20/29/30/1042202930.db2.gz IBVOYULRCGPBSO-AWEZNQCLSA-N 1 0 331.378 4.327 20 30 EIEDRO C=CCCOCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426058601 1042237378 /nfs/dbraw/zinc/23/73/78/1042237378.db2.gz MHZUDRVUMUVXQD-IBGZPJMESA-N 1 0 330.859 4.201 20 30 EIEDRO CC(C)n1ccc(C[C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000542137419 1042299772 /nfs/dbraw/zinc/29/97/72/1042299772.db2.gz LOKAEYMIFCGQQY-HNNXBMFYSA-N 1 0 349.400 4.055 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(C(F)(F)F)c1 ZINC000518020140 1042315389 /nfs/dbraw/zinc/31/53/89/1042315389.db2.gz RNGSOWBKTDHMSQ-HOTGVXAUSA-N 1 0 340.414 4.437 20 30 EIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000542209809 1042347346 /nfs/dbraw/zinc/34/73/46/1042347346.db2.gz NACMDQFZUIVWEA-UHFFFAOYSA-N 1 0 334.341 4.283 20 30 EIEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000509549488 1042361212 /nfs/dbraw/zinc/36/12/12/1042361212.db2.gz QEJSNXCDMQWIDC-UHFFFAOYSA-N 1 0 347.462 4.147 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(Br)c2)C1 ZINC000294985007 1042419715 /nfs/dbraw/zinc/41/97/15/1042419715.db2.gz GXUPDASRTBCTLI-JQWIXIFHSA-N 1 0 327.653 4.274 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1Cl ZINC000518248409 1042438134 /nfs/dbraw/zinc/43/81/34/1042438134.db2.gz HESKWEHQSQBNMD-UHFFFAOYSA-N 1 0 331.843 4.246 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C(C)(C)Cc2ccccc2OC)c1 ZINC000518275937 1042448129 /nfs/dbraw/zinc/44/81/29/1042448129.db2.gz XZQRNGJWYXCFCR-UHFFFAOYSA-N 1 0 325.452 4.371 20 30 EIEDRO CCc1ccc2c(C[NH2+]C3(c4cccc(C#N)c4)CC3)cc(=O)oc2c1 ZINC000271843164 1042449145 /nfs/dbraw/zinc/44/91/45/1042449145.db2.gz WIKFPMVQKMKWDL-UHFFFAOYSA-N 1 0 344.414 4.006 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3coc4ccccc34)CC2)cc1 ZINC000271844199 1042449352 /nfs/dbraw/zinc/44/93/52/1042449352.db2.gz HMOAXXFLQXURCU-UHFFFAOYSA-N 1 0 345.446 4.059 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)[C@@H](OC)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000518304222 1042458591 /nfs/dbraw/zinc/45/85/91/1042458591.db2.gz GCSMYGHWJONQOS-GQWLDOHISA-N 1 0 338.451 4.384 20 30 EIEDRO CCC[C@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000030269813 1042500003 /nfs/dbraw/zinc/50/00/03/1042500003.db2.gz FRKTWWWJHGCZFX-AWEZNQCLSA-N 1 0 347.528 4.338 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCOCC2)c(Cl)c1 ZINC000784351063 1042504007 /nfs/dbraw/zinc/50/40/07/1042504007.db2.gz IBAMOGKJTZXGSK-FQEVSTJZSA-N 1 0 340.854 4.469 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OC2CCCC2)nc1)c1ccc(C#N)c(F)c1 ZINC000271927286 1042521370 /nfs/dbraw/zinc/52/13/70/1042521370.db2.gz JPDFAOHWBSBIGV-AWEZNQCLSA-N 1 0 339.414 4.265 20 30 EIEDRO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271934160 1042533589 /nfs/dbraw/zinc/53/35/89/1042533589.db2.gz METPKSQIOYERSU-HRAATJIYSA-N 1 0 337.442 4.185 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3Br)CC2)C1 ZINC000426298791 1042537394 /nfs/dbraw/zinc/53/73/94/1042537394.db2.gz PLDCHDZYDKPNKP-DZGCQCFKSA-N 1 0 333.273 4.196 20 30 EIEDRO Cc1sc(NC(=O)C[N@H+](C2CC2)C2CCC(C)CC2)c(C#N)c1C ZINC000426378477 1042620258 /nfs/dbraw/zinc/62/02/58/1042620258.db2.gz GROAGUUVZUFAKD-UHFFFAOYSA-N 1 0 345.512 4.218 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)c(Cl)c1 ZINC000439446817 1042631792 /nfs/dbraw/zinc/63/17/92/1042631792.db2.gz XVRNWTMNDXCIPD-INIZCTEOSA-N 1 0 326.827 4.113 20 30 EIEDRO CSc1ccc([C@@H](C)[NH2+]CCCOc2cccc(C#N)c2)cc1 ZINC000439478575 1042644940 /nfs/dbraw/zinc/64/49/40/1042644940.db2.gz YSKCEAOBHNXVQI-OAHLLOKOSA-N 1 0 326.465 4.400 20 30 EIEDRO CC[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCCO1 ZINC000439488330 1042651701 /nfs/dbraw/zinc/65/17/01/1042651701.db2.gz ZBPMHEFJKIPFAF-QFIPXVFZSA-N 1 0 348.490 4.387 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)Cc2ccc(O)cc2)cc1Cl ZINC000518777436 1042681643 /nfs/dbraw/zinc/68/16/43/1042681643.db2.gz FIAYTGPNIKYEHK-CQSZACIVSA-N 1 0 331.843 4.331 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C#N)c(C)c1)c1ccsc1 ZINC000443970660 1042708043 /nfs/dbraw/zinc/70/80/43/1042708043.db2.gz REJOIQTXTJEMKX-IBGZPJMESA-N 1 0 327.497 4.101 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3Cl)C2)c(F)c1 ZINC000518818653 1042708960 /nfs/dbraw/zinc/70/89/60/1042708960.db2.gz LQSDCIGPEYLIFD-INIZCTEOSA-N 1 0 343.833 4.109 20 30 EIEDRO C[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)Oc1ccccc1Cl ZINC000518844108 1042719925 /nfs/dbraw/zinc/71/99/25/1042719925.db2.gz OKFFECKIIBFNDL-ACJLOTCBSA-N 1 0 326.827 4.256 20 30 EIEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443993212 1042726544 /nfs/dbraw/zinc/72/65/44/1042726544.db2.gz KPEJKCIUHMROGM-FGZHOGPDSA-N 1 0 334.463 4.433 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c(OCC(F)(F)F)c1 ZINC000443984704 1042733982 /nfs/dbraw/zinc/73/39/82/1042733982.db2.gz GAZPVGXBZXAGGT-UHFFFAOYSA-N 1 0 348.368 4.406 20 30 EIEDRO CC(C)([NH2+]Cc1cc(C#N)ccc1Br)c1ccccc1 ZINC000492764141 1042742379 /nfs/dbraw/zinc/74/23/79/1042742379.db2.gz BBNVCRPFONXCSX-UHFFFAOYSA-N 1 0 329.241 4.346 20 30 EIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH+](C(C)C)C(C)C)c1C#N ZINC000492877787 1042763407 /nfs/dbraw/zinc/76/34/07/1042763407.db2.gz LVUULZPACFRYKE-UHFFFAOYSA-N 1 0 344.503 4.149 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1C ZINC000519002863 1042786035 /nfs/dbraw/zinc/78/60/35/1042786035.db2.gz KHXFEQVOVYZBEU-APWZRJJASA-N 1 0 341.499 4.061 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000177911012 1042854691 /nfs/dbraw/zinc/85/46/91/1042854691.db2.gz YMOCWONYCZRAMW-GUYCJALGSA-N 1 0 349.316 4.237 20 30 EIEDRO C=CC[N@@H+](CCCSC)Cc1cc(Br)ccc1F ZINC000441520403 1042871016 /nfs/dbraw/zinc/87/10/16/1042871016.db2.gz BBXVEIIUCMBUNS-UHFFFAOYSA-N 1 0 332.282 4.329 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CC(C)(C)c2ccccc2F)cc1 ZINC000237195876 1042902874 /nfs/dbraw/zinc/90/28/74/1042902874.db2.gz DGKDQPXZNBTXSY-UHFFFAOYSA-N 1 0 339.458 4.243 20 30 EIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(C#N)ccc1Br ZINC000493543917 1042931148 /nfs/dbraw/zinc/93/11/48/1042931148.db2.gz KQLSLKKCHYJEAB-ZDUSSCGKSA-N 1 0 349.194 4.387 20 30 EIEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000493571986 1042931197 /nfs/dbraw/zinc/93/11/97/1042931197.db2.gz IZUGQMCNMJWUCX-SJLPKXTDSA-N 1 0 338.455 4.303 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2OCC2CC2)cc1 ZINC000152754385 1042962860 /nfs/dbraw/zinc/96/28/60/1042962860.db2.gz NXQAAZIGDSEFHD-MRXNPFEDSA-N 1 0 336.435 4.056 20 30 EIEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000441658421 1042966512 /nfs/dbraw/zinc/96/65/12/1042966512.db2.gz PQKJCOJFHDPGDV-INIZCTEOSA-N 1 0 333.863 4.051 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1OCC(C)C ZINC000237220050 1042984900 /nfs/dbraw/zinc/98/49/00/1042984900.db2.gz WNPZYPIIWZGLHT-UHFFFAOYSA-N 1 0 342.414 4.031 20 30 EIEDRO C=CC[N@@H+](CCSc1ccccc1F)Cc1cccc(C#N)c1 ZINC000520137196 1042991572 /nfs/dbraw/zinc/99/15/72/1042991572.db2.gz VAXBLWWSRZZXAL-UHFFFAOYSA-N 1 0 326.440 4.478 20 30 EIEDRO C=C(C)COCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000494010962 1043003904 /nfs/dbraw/zinc/00/39/04/1043003904.db2.gz GSWUBFYVAOJSBL-HXUWFJFHSA-N 1 0 329.415 4.106 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000765953542 1043063010 /nfs/dbraw/zinc/06/30/10/1043063010.db2.gz FVDYHSPGZDVNBO-MRXNPFEDSA-N 1 0 348.446 4.082 20 30 EIEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075642803 1043069936 /nfs/dbraw/zinc/06/99/36/1043069936.db2.gz ILROXRGYZWIQDO-LJQANCHMSA-N 1 0 344.418 4.254 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184838046 1043133540 /nfs/dbraw/zinc/13/35/40/1043133540.db2.gz ZQKLGMBHWSDWDQ-BBRMVZONSA-N 1 0 342.405 4.027 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@@H]1OCCc2sccc21 ZINC000429169542 1043183688 /nfs/dbraw/zinc/18/36/88/1043183688.db2.gz BEAPIEHKANFINW-ACJLOTCBSA-N 1 0 331.868 4.045 20 30 EIEDRO C#Cc1cccc(NC(=S)Nc2cccc3c2CN(CCC)C3)c1 ZINC000727290503 1043192062 /nfs/dbraw/zinc/19/20/62/1043192062.db2.gz KZEYPWNGJBMXLX-UHFFFAOYSA-N 1 0 335.476 4.202 20 30 EIEDRO COc1ccc(Oc2cc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)ccn2)cc1 ZINC000185784991 1043220411 /nfs/dbraw/zinc/22/04/11/1043220411.db2.gz ZBMFMXZCYZRAMK-WBVHZDCISA-N 1 0 337.423 4.054 20 30 EIEDRO COc1cccc(Oc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cn2)c1 ZINC000185784705 1043220946 /nfs/dbraw/zinc/22/09/46/1043220946.db2.gz KUTSDXRTTOLMGN-WBVHZDCISA-N 1 0 337.423 4.054 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C1 ZINC000185834248 1043223920 /nfs/dbraw/zinc/22/39/20/1043223920.db2.gz GMOINTXAEYYBSN-CJNGLKHVSA-N 1 0 333.273 4.153 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c(OC(F)F)c1 ZINC000185855567 1043226105 /nfs/dbraw/zinc/22/61/05/1043226105.db2.gz GVKHFNFGILQARN-DZGCQCFKSA-N 1 0 338.398 4.249 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1Br ZINC000030912876 1043233966 /nfs/dbraw/zinc/23/39/66/1043233966.db2.gz CDMMQMAONULWDJ-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO N#CC1CCC(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000929333821 1043241143 /nfs/dbraw/zinc/24/11/43/1043241143.db2.gz YEMZVROUXQMDOO-TYUFSLCMSA-N 1 0 342.327 4.379 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)ccc1OC(F)F ZINC000282500382 1043276917 /nfs/dbraw/zinc/27/69/17/1043276917.db2.gz YANCCMHIXFRSMK-IYXRBSQSSA-N 1 0 338.398 4.277 20 30 EIEDRO C=CCCN(C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000466613229 1043332392 /nfs/dbraw/zinc/33/23/92/1043332392.db2.gz ZMJJLWHOGAMBQP-UHFFFAOYSA-N 1 0 329.488 4.001 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccsc1CNCC1(C#N)CCCC1 ZINC000895142354 1043364829 /nfs/dbraw/zinc/36/48/29/1043364829.db2.gz QFTSKWAFUGQCHD-UHFFFAOYSA-N 1 0 335.473 4.269 20 30 EIEDRO C=C1CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000520850116 1043403705 /nfs/dbraw/zinc/40/37/05/1043403705.db2.gz FVZKKTBEVMQTAJ-NSHDSACASA-N 1 0 346.780 4.338 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CCC)C2CCCCC2)CC1 ZINC000521584670 1043415640 /nfs/dbraw/zinc/41/56/40/1043415640.db2.gz PSAAKEMZFFAEDO-LJQANCHMSA-N 1 0 335.536 4.075 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1csc2ccccc21 ZINC000730024049 1043430445 /nfs/dbraw/zinc/43/04/45/1043430445.db2.gz ZXVGFRNNORHOBN-HUUCEWRRSA-N 1 0 328.481 4.141 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000494468432 1043501580 /nfs/dbraw/zinc/50/15/80/1043501580.db2.gz ATBGRYLQYHOSQH-OALUTQOASA-N 1 0 344.817 4.165 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000494468433 1043502887 /nfs/dbraw/zinc/50/28/87/1043502887.db2.gz ATBGRYLQYHOSQH-RBUKOAKNSA-N 1 0 344.817 4.165 20 30 EIEDRO COC[C@H]([NH2+]CCc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000467438796 1043512395 /nfs/dbraw/zinc/51/23/95/1043512395.db2.gz ILPUFZLTDXRAIC-SFHVURJKSA-N 1 0 348.368 4.097 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)cs1 ZINC000922112209 1043513598 /nfs/dbraw/zinc/51/35/98/1043513598.db2.gz BQQLZPBPRMBYOQ-OAHLLOKOSA-N 1 0 348.269 4.018 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cs1 ZINC000922121556 1043560744 /nfs/dbraw/zinc/56/07/44/1043560744.db2.gz GMBNRGGPHZLYBZ-HNNXBMFYSA-N 1 0 341.263 4.140 20 30 EIEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000010137313 1043731758 /nfs/dbraw/zinc/73/17/58/1043731758.db2.gz BOBRPEUZUFJODR-LJQANCHMSA-N 1 0 341.842 4.137 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000761638287 1043773624 /nfs/dbraw/zinc/77/36/24/1043773624.db2.gz UKDZFXLKOIKAJO-SLFFLAALSA-N 1 0 325.500 4.485 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CCC2)C1 ZINC000442712692 1043816106 /nfs/dbraw/zinc/81/61/06/1043816106.db2.gz GVHCRMAIWGFAJB-CZUORRHYSA-N 1 0 333.273 4.153 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(Br)cc3)CCC2)C1 ZINC000442712689 1043816183 /nfs/dbraw/zinc/81/61/83/1043816183.db2.gz GVHCRMAIWGFAJB-CJNGLKHVSA-N 1 0 333.273 4.153 20 30 EIEDRO CCCCOc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1OCC ZINC000066972038 1043839002 /nfs/dbraw/zinc/83/90/02/1043839002.db2.gz UFISZELHNUJHHG-UHFFFAOYSA-N 1 0 338.451 4.426 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000442787805 1043839146 /nfs/dbraw/zinc/83/91/46/1043839146.db2.gz DPNWQTHHLUEFPO-KOLCDFICSA-N 1 0 333.646 4.307 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCOc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000442787800 1043840142 /nfs/dbraw/zinc/84/01/42/1043840142.db2.gz DPNWQTHHLUEFPO-GXSJLCMTSA-N 1 0 333.646 4.307 20 30 EIEDRO C=C[C@H](CC)CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001127295290 1043849592 /nfs/dbraw/zinc/84/95/92/1043849592.db2.gz TWRQADGMCJROTI-QWFCFKBJSA-N 1 0 328.500 4.006 20 30 EIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442831444 1043860251 /nfs/dbraw/zinc/86/02/51/1043860251.db2.gz ADTLVQUMCFIPRK-YWZLYKJASA-N 1 0 336.435 4.159 20 30 EIEDRO CC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)Oc1ccccc1C(F)(F)F ZINC000442863361 1043867320 /nfs/dbraw/zinc/86/73/20/1043867320.db2.gz CNHAQUJEVWDLGZ-MELADBBJSA-N 1 0 326.362 4.145 20 30 EIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)cc1OC(F)F ZINC000442866482 1043868818 /nfs/dbraw/zinc/86/88/18/1043868818.db2.gz LTAUQKIPTMKKOH-PNESKVBLSA-N 1 0 326.362 4.408 20 30 EIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1OC ZINC000442870724 1043871517 /nfs/dbraw/zinc/87/15/17/1043871517.db2.gz VPBPYDMNRILGEP-XNIRIUNOSA-N 1 0 330.472 4.115 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442872149 1043872277 /nfs/dbraw/zinc/87/22/77/1043872277.db2.gz HIUYVEUBTOFUKB-AOCRQIFASA-N 1 0 341.499 4.447 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000442853528 1043875196 /nfs/dbraw/zinc/87/51/96/1043875196.db2.gz HORRJAUZPIRVIZ-BPLDGKMQSA-N 1 0 338.282 4.244 20 30 EIEDRO COc1cc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)ccc1C#N ZINC000442883220 1043880984 /nfs/dbraw/zinc/88/09/84/1043880984.db2.gz GWOWCCQQCATAQI-QGZVFWFLSA-N 1 0 338.476 4.181 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1cccc(C#N)c1 ZINC000467447541 1043941745 /nfs/dbraw/zinc/94/17/45/1043941745.db2.gz AEFMBGIUIVZHAN-AWEZNQCLSA-N 1 0 332.369 4.340 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCc3sccc3[C@@H]2C)c1O ZINC000732526595 1043947778 /nfs/dbraw/zinc/94/77/78/1043947778.db2.gz MDPJUQPOHRAJDY-ZDUSSCGKSA-N 1 0 329.465 4.310 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000487422079 1043950917 /nfs/dbraw/zinc/95/09/17/1043950917.db2.gz RDBTZDLYHBGBDA-LAUBAEHRSA-N 1 0 334.463 4.450 20 30 EIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000733902660 1044025000 /nfs/dbraw/zinc/02/50/00/1044025000.db2.gz YDFHCOBCWOSNAN-KSSFIOAISA-N 1 0 330.432 4.037 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cc1Cl ZINC000732919418 1044034293 /nfs/dbraw/zinc/03/42/93/1044034293.db2.gz FNUGWDWQYIUAKT-ZDUSSCGKSA-N 1 0 330.815 4.102 20 30 EIEDRO N#Cc1cccnc1NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000521881976 1044042595 /nfs/dbraw/zinc/04/25/95/1044042595.db2.gz JWZNFVAFWGIYCZ-SFHVURJKSA-N 1 0 340.858 4.073 20 30 EIEDRO C=CCC(CC=C)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675154488 1044053997 /nfs/dbraw/zinc/05/39/97/1044053997.db2.gz XGKHDXQYIQUCAL-FQEVSTJZSA-N 1 0 326.484 4.098 20 30 EIEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732986338 1044060369 /nfs/dbraw/zinc/06/03/69/1044060369.db2.gz KVOJLCMCDWKERW-GOSISDBHSA-N 1 0 328.362 4.052 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCCSc2ccccc2)cc1 ZINC000733323225 1044183980 /nfs/dbraw/zinc/18/39/80/1044183980.db2.gz QVJCVBZHUCZVDU-UHFFFAOYSA-N 1 0 325.477 4.361 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccccc2COC(C)C)cc1 ZINC000733322502 1044184284 /nfs/dbraw/zinc/18/42/84/1044184284.db2.gz JWVKLVFZBARAMP-UHFFFAOYSA-N 1 0 337.463 4.304 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000733329702 1044197234 /nfs/dbraw/zinc/19/72/34/1044197234.db2.gz JTLIIJCXVKLYJI-UHFFFAOYSA-N 1 0 331.818 4.214 20 30 EIEDRO C=CC1CC[NH+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)CC1 ZINC000522083535 1044227117 /nfs/dbraw/zinc/22/71/17/1044227117.db2.gz AKEBETBEAJAFOI-UHFFFAOYSA-N 1 0 348.490 4.132 20 30 EIEDRO C=C(C)[C@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000479407428 1044257945 /nfs/dbraw/zinc/25/79/45/1044257945.db2.gz FMOIMWQFMANASJ-HNNXBMFYSA-N 1 0 345.315 4.131 20 30 EIEDRO COc1ccc(Br)cc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000174430341 1044271719 /nfs/dbraw/zinc/27/17/19/1044271719.db2.gz AQKWMPMHWHUSMO-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO C=CCOc1ccc(CN(CC(=O)OCC(C)C)C(C)(C)C)cc1 ZINC001168016679 1044272701 /nfs/dbraw/zinc/27/27/01/1044272701.db2.gz CXRUJADUNYLFLX-UHFFFAOYSA-N 1 0 333.472 4.051 20 30 EIEDRO CSC[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000430748153 1044278127 /nfs/dbraw/zinc/27/81/27/1044278127.db2.gz CEWJXQUUXCALJG-AWEZNQCLSA-N 1 0 328.403 4.393 20 30 EIEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)[C@H](c2ccco2)C1 ZINC000174509970 1044284263 /nfs/dbraw/zinc/28/42/63/1044284263.db2.gz ZYIPPDSSVYBYGI-ZFWWWQNUSA-N 1 0 343.452 4.015 20 30 EIEDRO C=CCC[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001127302932 1044307573 /nfs/dbraw/zinc/30/75/73/1044307573.db2.gz VMGDMKJEOGLYBP-FCHUYYIVSA-N 1 0 348.490 4.332 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000766140895 1044329255 /nfs/dbraw/zinc/32/92/55/1044329255.db2.gz LSOVSEXCWDXOPY-OKDNKWQNSA-N 1 0 335.875 4.282 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCC(C)(C)CO)cc1 ZINC000766142996 1044346734 /nfs/dbraw/zinc/34/67/34/1044346734.db2.gz TZLBDKQXNAICQK-HNNXBMFYSA-N 1 0 325.880 4.267 20 30 EIEDRO C=CC[C@H](CC)NC(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000466386167 1044350254 /nfs/dbraw/zinc/35/02/54/1044350254.db2.gz NUCXWWTWGPKFED-YSIASYRMSA-N 1 0 343.515 4.208 20 30 EIEDRO C=CCCCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474080464 1044367477 /nfs/dbraw/zinc/36/74/77/1044367477.db2.gz NFUYYTSTQJYRRU-UYAOXDASSA-N 1 0 343.515 4.037 20 30 EIEDRO CC[N@H+](Cc1ccc(Br)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC001204768481 1044393173 /nfs/dbraw/zinc/39/31/73/1044393173.db2.gz JHOAHLYIJGEZIM-CYBMUJFWSA-N 1 0 344.256 4.299 20 30 EIEDRO C[C@H](C[NH2+]CCc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000466408747 1044407735 /nfs/dbraw/zinc/40/77/35/1044407735.db2.gz IFIWRHAKPFYTHD-CQSZACIVSA-N 1 0 343.268 4.257 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)CCCC(F)(F)F)cc(OC)c1O ZINC000494846302 1044441125 /nfs/dbraw/zinc/44/11/25/1044441125.db2.gz QBIFGIHUINTCMJ-GFCCVEGCSA-N 1 0 331.378 4.340 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N/C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734096240 1044473046 /nfs/dbraw/zinc/47/30/46/1044473046.db2.gz LJSKRPSMWQMAFC-IUOVYFEOSA-N 1 0 328.843 4.129 20 30 EIEDRO C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1Cc1ccccc1 ZINC000734295782 1044525941 /nfs/dbraw/zinc/52/59/41/1044525941.db2.gz KBALWJORQVSUKF-HNNXBMFYSA-N 1 0 338.411 4.047 20 30 EIEDRO CCCC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C1CCC1 ZINC000542525588 1044536805 /nfs/dbraw/zinc/53/68/05/1044536805.db2.gz NZQCETJMUDSQQQ-MRXNPFEDSA-N 1 0 333.863 4.099 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494984359 1044570272 /nfs/dbraw/zinc/57/02/72/1044570272.db2.gz DXEVZQPJSYRCIX-TXTJOAKRSA-N 1 0 330.447 4.213 20 30 EIEDRO C=C[C@H](C)[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000675934458 1044576698 /nfs/dbraw/zinc/57/66/98/1044576698.db2.gz ZQXCOYCFHXEIQL-STQMWFEESA-N 1 0 346.496 4.285 20 30 EIEDRO C=C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000675934141 1044577542 /nfs/dbraw/zinc/57/75/42/1044577542.db2.gz JDBLGUSJZHKPDL-UWVGGRQHSA-N 1 0 334.769 4.240 20 30 EIEDRO C=CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000495023978 1044596732 /nfs/dbraw/zinc/59/67/32/1044596732.db2.gz CBNBIPHGTCZAAF-JOCHJYFZSA-N 1 0 348.490 4.259 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2cccs2)C2CC2)c(OC(F)F)c1 ZINC000543439728 1044608739 /nfs/dbraw/zinc/60/87/39/1044608739.db2.gz ICTOTVPLALDNRD-INIZCTEOSA-N 1 0 334.391 4.462 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000495043130 1044610977 /nfs/dbraw/zinc/61/09/77/1044610977.db2.gz DFXGDEXOHBUBET-KUHUBIRLSA-N 1 0 333.834 4.343 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000495051227 1044617577 /nfs/dbraw/zinc/61/75/77/1044617577.db2.gz SBIADYZRTMTFPW-KUHUBIRLSA-N 1 0 333.834 4.343 20 30 EIEDRO C=CCC[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000495055116 1044624381 /nfs/dbraw/zinc/62/43/81/1044624381.db2.gz ZBZHVRMXSLPLAQ-CTNGQTDRSA-N 1 0 342.527 4.365 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000495072046 1044639195 /nfs/dbraw/zinc/63/91/95/1044639195.db2.gz ZMSGALFUPMDHFB-QRWLVFNGSA-N 1 0 345.870 4.212 20 30 EIEDRO C[C@H](Cc1cccc(F)c1)[NH2+]CCC(C(F)(F)F)C(F)(F)F ZINC001168476649 1044643833 /nfs/dbraw/zinc/64/38/33/1044643833.db2.gz VARHVFLZFSLQAS-SECBINFHSA-N 1 0 331.275 4.477 20 30 EIEDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000469793477 1044651321 /nfs/dbraw/zinc/65/13/21/1044651321.db2.gz FWDJWYBFDZYBCF-VIFPVBQESA-N 1 0 347.274 4.273 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc(C#N)c1 ZINC000495091723 1044662148 /nfs/dbraw/zinc/66/21/48/1044662148.db2.gz SVVCBPJUXDOSIU-XJKSGUPXSA-N 1 0 343.833 4.280 20 30 EIEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NOCc2ccccc2)c1C ZINC000914695053 1044670523 /nfs/dbraw/zinc/67/05/23/1044670523.db2.gz CKTFOIWLTOVWPF-OAQYLSRUSA-N 1 0 339.483 4.140 20 30 EIEDRO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000118455441 1044673093 /nfs/dbraw/zinc/67/30/93/1044673093.db2.gz COTMCSZMXKZGDX-QUCCMNQESA-N 1 0 344.499 4.300 20 30 EIEDRO CCOc1ccc(/C=N\Cc2cccc(C[NH+]3CCCC3)c2)c(O)c1 ZINC000914701946 1044680321 /nfs/dbraw/zinc/68/03/21/1044680321.db2.gz SKWRNGIWGBTOHR-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO CC[N@H+](Cc1ccnn1-c1ccc(F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000474147691 1044686090 /nfs/dbraw/zinc/68/60/90/1044686090.db2.gz QSCOKJPDSBMYNP-MRXNPFEDSA-N 1 0 348.425 4.466 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cccc(OC)c1OC(F)F ZINC000495112117 1044689914 /nfs/dbraw/zinc/68/99/14/1044689914.db2.gz YUHMSRZLGFSXSA-UHFFFAOYSA-N 1 0 337.366 4.120 20 30 EIEDRO C=CC[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000495139933 1044714084 /nfs/dbraw/zinc/71/40/84/1044714084.db2.gz NDOSSRQKOFOATH-RTWAWAEBSA-N 1 0 336.479 4.074 20 30 EIEDRO COc1cccc(Oc2ncccc2C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000154079591 1044725414 /nfs/dbraw/zinc/72/54/14/1044725414.db2.gz VUKBMJJVJPJDQK-UHFFFAOYSA-N 1 0 345.402 4.044 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C/C=C\c2ccc(C(C)C)cc2)CC1 ZINC000495160926 1044738398 /nfs/dbraw/zinc/73/83/98/1044738398.db2.gz DDKHVOCVLAPMGW-WAYWQWQTSA-N 1 0 340.511 4.370 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000154333416 1044772104 /nfs/dbraw/zinc/77/21/04/1044772104.db2.gz FONCZTOZRDXCHJ-HZPDHXFCSA-N 1 0 330.435 4.464 20 30 EIEDRO CCc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735306036 1044787378 /nfs/dbraw/zinc/78/73/78/1044787378.db2.gz HAVHNRYERRCIPT-UHFFFAOYSA-N 1 0 328.843 4.437 20 30 EIEDRO C=C(C[NH2+]Cc1cc(Br)c(OC)s1)c1ccccc1 ZINC000676569289 1044794076 /nfs/dbraw/zinc/79/40/76/1044794076.db2.gz BRMFESOYMUSETP-UHFFFAOYSA-N 1 0 338.270 4.322 20 30 EIEDRO CC(C)c1nc(C#N)c(N=NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)o1 ZINC000733901147 1044818673 /nfs/dbraw/zinc/81/86/73/1044818673.db2.gz DZXSRVSDTXMFLB-PBHICJAKSA-N 1 0 343.475 4.112 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1cc(F)ccc1OC ZINC000922623419 1044849157 /nfs/dbraw/zinc/84/91/57/1044849157.db2.gz UXUFJWBRIBKDKY-AUUYWEPGSA-N 1 0 342.414 4.366 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800178 1044893802 /nfs/dbraw/zinc/89/38/02/1044893802.db2.gz GTOHOMTYHXEBMS-OPAMFIHVSA-N 1 0 346.430 4.119 20 30 EIEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000543601728 1044894171 /nfs/dbraw/zinc/89/41/71/1044894171.db2.gz YESXURHYJLQQSO-GJZGRUSLSA-N 1 0 337.305 4.220 20 30 EIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000543601732 1044894569 /nfs/dbraw/zinc/89/45/69/1044894569.db2.gz YESXURHYJLQQSO-LSDHHAIUSA-N 1 0 337.305 4.220 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ncc(C)cc2C)cc1OC ZINC000922738758 1044913473 /nfs/dbraw/zinc/91/34/73/1044913473.db2.gz YIUFVBORSNRFPY-UHFFFAOYSA-N 1 0 346.858 4.215 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428974069 1044925001 /nfs/dbraw/zinc/92/50/01/1044925001.db2.gz HQTLDDQAEDIRIU-MAODMQOUSA-N 1 0 338.426 4.138 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000466659918 1044926819 /nfs/dbraw/zinc/92/68/19/1044926819.db2.gz ZXTMDCIANWZEAQ-OKILXGFUSA-N 1 0 345.512 4.090 20 30 EIEDRO C(#Cc1ccccc1)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000736355747 1044928799 /nfs/dbraw/zinc/92/87/99/1044928799.db2.gz WRSLLFDPAAJVQW-UHFFFAOYSA-N 1 0 337.426 4.167 20 30 EIEDRO Fc1ccc(C#CC[N@H+](CCc2ccccc2)Cc2cccnc2)cc1 ZINC000429319001 1044940573 /nfs/dbraw/zinc/94/05/73/1044940573.db2.gz PSEKKRPZKGRWOW-UHFFFAOYSA-N 1 0 344.433 4.317 20 30 EIEDRO Cc1nc2c(cccc2CC[NH2+]Cc2cccc(OCCCC#N)c2)o1 ZINC000922770577 1044941322 /nfs/dbraw/zinc/94/13/22/1044941322.db2.gz OANITNZXWPGSMS-UHFFFAOYSA-N 1 0 349.434 4.151 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCSC3(CCC3)C2)cc1OC ZINC000922841319 1044984696 /nfs/dbraw/zinc/98/46/96/1044984696.db2.gz APOQQZRKJVOJSY-INIZCTEOSA-N 1 0 333.497 4.168 20 30 EIEDRO CO[C@@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000282539639 1045016289 /nfs/dbraw/zinc/01/62/89/1045016289.db2.gz ZPMVWHWXBOIBAX-DENIHFKCSA-N 1 0 348.490 4.386 20 30 EIEDRO C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073767139 1045016953 /nfs/dbraw/zinc/01/69/53/1045016953.db2.gz FZXJFKCOYPELQR-QRWLVFNGSA-N 1 0 334.423 4.027 20 30 EIEDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCOc2ccc(C#N)cc2)C2CC2)o1 ZINC000509058014 1045026671 /nfs/dbraw/zinc/02/66/71/1045026671.db2.gz RFLVHDAIXPNSFC-MGPUTAFESA-N 1 0 336.435 4.318 20 30 EIEDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156990913 1045122428 /nfs/dbraw/zinc/12/24/28/1045122428.db2.gz KSSLMNHZJNIHOF-GCJKJVERSA-N 1 0 333.479 4.043 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000186691897 1045125878 /nfs/dbraw/zinc/12/58/78/1045125878.db2.gz SKGYHFMYCHSDIJ-XHDPSFHLSA-N 1 0 336.888 4.360 20 30 EIEDRO C=CCn1c(C)nn(C[NH2+][C@@H](c2ccccc2)C(C)(C)C)c1=S ZINC000073841974 1045145069 /nfs/dbraw/zinc/14/50/69/1045145069.db2.gz JODORYAJTZXFOM-INIZCTEOSA-N 1 0 330.501 4.243 20 30 EIEDRO C=CCOCCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000470774481 1045149622 /nfs/dbraw/zinc/14/96/22/1045149622.db2.gz SIKOXVIOKRYIOM-HXUWFJFHSA-N 1 0 329.415 4.106 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000509428427 1045157459 /nfs/dbraw/zinc/15/74/59/1045157459.db2.gz DCQHIHDONOUFTN-IBGZPJMESA-N 1 0 327.399 4.176 20 30 EIEDRO C=CCOCCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000470779533 1045159145 /nfs/dbraw/zinc/15/91/45/1045159145.db2.gz MYHUTYADYUSOGF-LJQANCHMSA-N 1 0 330.859 4.201 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000739856188 1045169420 /nfs/dbraw/zinc/16/94/20/1045169420.db2.gz ZOQAZXCOQZVPGO-UHFFFAOYSA-N 1 0 349.482 4.151 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccc4c[nH]nc4c3)c2)s1 ZINC000740010759 1045176654 /nfs/dbraw/zinc/17/66/54/1045176654.db2.gz HESGDALNIPAVRU-UHFFFAOYSA-N 1 0 344.443 4.453 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccc(C#N)cc3)c2)s1 ZINC000740014259 1045179507 /nfs/dbraw/zinc/17/95/07/1045179507.db2.gz OXRITDDACFTIEE-UHFFFAOYSA-N 1 0 329.428 4.448 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1C)c1ccncc1 ZINC000766019121 1045217980 /nfs/dbraw/zinc/21/79/80/1045217980.db2.gz KDVWRPNEUKWOTH-CRAIPNDOSA-N 1 0 326.440 4.375 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1)c1ccncc1 ZINC000766019945 1045221854 /nfs/dbraw/zinc/22/18/54/1045221854.db2.gz NWOKINKZZZMNEM-KDOFPFPSSA-N 1 0 339.439 4.017 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](CCOC)Cc1cccc(F)c1)c1ccncc1 ZINC000766022827 1045235039 /nfs/dbraw/zinc/23/50/39/1045235039.db2.gz XOFVVXXXQYOFHL-WOJBJXKFSA-N 1 0 328.431 4.075 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000611080315 1045251352 /nfs/dbraw/zinc/25/13/52/1045251352.db2.gz QBMFYXTXSLXAOG-IBGZPJMESA-N 1 0 344.430 4.347 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cscc3Cl)CC2)nc1 ZINC000611257851 1045268798 /nfs/dbraw/zinc/26/87/98/1045268798.db2.gz OYLFPYZVVCFECQ-UHFFFAOYSA-N 1 0 347.871 4.148 20 30 EIEDRO CCCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1ccc(C)o1 ZINC000611258073 1045269734 /nfs/dbraw/zinc/26/97/34/1045269734.db2.gz DCLYZGSMKPRVIZ-INIZCTEOSA-N 1 0 336.439 4.471 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3nccc4ccccc43)CC2)cc1 ZINC000611268873 1045272370 /nfs/dbraw/zinc/27/23/70/1045272370.db2.gz ZDJPJTFSXIFQLC-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741157434 1045277012 /nfs/dbraw/zinc/27/70/12/1045277012.db2.gz QZAKXNCTUHGNJP-INIZCTEOSA-N 1 0 348.462 4.071 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)ccn1 ZINC000611383246 1045292370 /nfs/dbraw/zinc/29/23/70/1045292370.db2.gz HWAODVBLXDYJLV-JOCHJYFZSA-N 1 0 327.431 4.417 20 30 EIEDRO CC(C)(C)OC(=O)NC1CC([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000495683459 1045296015 /nfs/dbraw/zinc/29/60/15/1045296015.db2.gz CBFUCHCFVAWZLP-ABHNRTSZSA-N 1 0 343.471 4.067 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000611377096 1045296568 /nfs/dbraw/zinc/29/65/68/1045296568.db2.gz DMGFZIGOGPMBMW-ZDUSSCGKSA-N 1 0 346.377 4.409 20 30 EIEDRO Cc1cccc2oc(CC[NH2+][C@H]3CCCc4cc(C#N)ccc43)nc21 ZINC000611393416 1045297407 /nfs/dbraw/zinc/29/74/07/1045297407.db2.gz FQMQTEOEAHQWIV-SFHVURJKSA-N 1 0 331.419 4.218 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000611390634 1045297463 /nfs/dbraw/zinc/29/74/63/1045297463.db2.gz MIBOPGYRSZIBCF-PKTZIBPZSA-N 1 0 345.490 4.362 20 30 EIEDRO CC(C)c1nc(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000611392495 1045297767 /nfs/dbraw/zinc/29/77/67/1045297767.db2.gz YNNDCLDVCNICQR-GOSISDBHSA-N 1 0 325.481 4.348 20 30 EIEDRO COc1cccc(OCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394815 1045300427 /nfs/dbraw/zinc/30/04/27/1045300427.db2.gz GXLOYHBIAAZZPJ-NRFANRHFSA-N 1 0 336.435 4.003 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000611391019 1045302419 /nfs/dbraw/zinc/30/24/19/1045302419.db2.gz ZKGNPCJXGPVERC-QFIPXVFZSA-N 1 0 346.474 4.274 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000611390499 1045302634 /nfs/dbraw/zinc/30/26/34/1045302634.db2.gz FIJBQMFKWOWKNO-AVRDEDQJSA-N 1 0 331.463 4.052 20 30 EIEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]Cc1ccnc(C#N)c1)C(C)(C)C ZINC000611434525 1045305180 /nfs/dbraw/zinc/30/51/80/1045305180.db2.gz QJGVTHUEBFAAMI-LJQANCHMSA-N 1 0 337.467 4.153 20 30 EIEDRO CC(C)(C)C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1 ZINC000611438389 1045307738 /nfs/dbraw/zinc/30/77/38/1045307738.db2.gz AENHPPHSUIZEQR-GOSISDBHSA-N 1 0 333.907 4.395 20 30 EIEDRO C[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465794 1045312895 /nfs/dbraw/zinc/31/28/95/1045312895.db2.gz UYHPYDIMBTUATR-FOIQADDNSA-N 1 0 348.425 4.065 20 30 EIEDRO C[C@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000611477014 1045315499 /nfs/dbraw/zinc/31/54/99/1045315499.db2.gz JYEHYIMWNHDYFY-INIZCTEOSA-N 1 0 338.426 4.487 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000236675206 1045363477 /nfs/dbraw/zinc/36/34/77/1045363477.db2.gz PLROWWQCBVAVSR-LJQANCHMSA-N 1 0 340.467 4.161 20 30 EIEDRO CCC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000193629377 1045407890 /nfs/dbraw/zinc/40/78/90/1045407890.db2.gz GFDFJFJVTYOSHD-KRWDZBQOSA-N 1 0 341.842 4.281 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168496208 1045416147 /nfs/dbraw/zinc/41/61/47/1045416147.db2.gz HBYZCAAVOOACEO-OALUTQOASA-N 1 0 344.405 4.247 20 30 EIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1C ZINC000272337972 1045417672 /nfs/dbraw/zinc/41/76/72/1045417672.db2.gz ZGQTUKLLWVLXLK-INIZCTEOSA-N 1 0 347.462 4.171 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2ccc3c(c2)CCCO3)CC1 ZINC000153657778 1045431975 /nfs/dbraw/zinc/43/19/75/1045431975.db2.gz KTEFRQOGUDKTLD-HXUWFJFHSA-N 1 0 328.500 4.093 20 30 EIEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000495982617 1045453206 /nfs/dbraw/zinc/45/32/06/1045453206.db2.gz OQTDETOCFBGZOP-MRXNPFEDSA-N 1 0 341.455 4.158 20 30 EIEDRO C=C(C)COCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000322917421 1045501995 /nfs/dbraw/zinc/50/19/95/1045501995.db2.gz HEFHOKASSAQSPN-UHFFFAOYSA-N 1 0 341.295 4.407 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(C#N)c(F)c1 ZINC000272559260 1045515525 /nfs/dbraw/zinc/51/55/25/1045515525.db2.gz DVLXVHFLQCPISZ-KPZWWZAWSA-N 1 0 328.362 4.401 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000455381822 1045583363 /nfs/dbraw/zinc/58/33/63/1045583363.db2.gz KCUOOJVWNGMGCX-QGZVFWFLSA-N 1 0 341.499 4.143 20 30 EIEDRO CCOC(C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OCC ZINC000767825611 1045647105 /nfs/dbraw/zinc/64/71/05/1045647105.db2.gz RDGWGPDSNCBZNQ-INIZCTEOSA-N 1 0 338.451 4.275 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000768227775 1045757439 /nfs/dbraw/zinc/75/74/39/1045757439.db2.gz ILSPBMVJHZQDAZ-QFIPXVFZSA-N 1 0 337.463 4.197 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccc3ccccc3c2)C2CC2)cc1 ZINC000763235810 1045788581 /nfs/dbraw/zinc/78/85/81/1045788581.db2.gz MPWCGLOOXSWWKI-QHCPKHFHSA-N 1 0 342.442 4.409 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)c(OCc2cccnc2)c1)C(C)C ZINC000768548014 1045822122 /nfs/dbraw/zinc/82/21/22/1045822122.db2.gz VBJXRVXGXHXDDL-UHFFFAOYSA-N 1 0 326.440 4.066 20 30 EIEDRO C=CC[N@H+](Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2)C(C)C ZINC000768547413 1045822557 /nfs/dbraw/zinc/82/25/57/1045822557.db2.gz LOXBHVOPCRJVFW-UHFFFAOYSA-N 1 0 330.472 4.381 20 30 EIEDRO COCC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H](C)c1ccccc1 ZINC000768597274 1045825081 /nfs/dbraw/zinc/82/50/81/1045825081.db2.gz QVIZQVDDOLOCRO-ROUUACIJSA-N 1 0 338.451 4.187 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000768991350 1045867953 /nfs/dbraw/zinc/86/79/53/1045867953.db2.gz KNOCQORWPVHKQF-OXQOHEQNSA-N 1 0 338.426 4.324 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H](C)C1 ZINC000248589073 1045876546 /nfs/dbraw/zinc/87/65/46/1045876546.db2.gz YSOMOLDTBBINTC-JKSUJKDBSA-N 1 0 345.512 4.141 20 30 EIEDRO O[C@@H](C[N@H+](CC#Cc1ccccc1)Cc1ccccc1)c1cccs1 ZINC000792236867 1045880346 /nfs/dbraw/zinc/88/03/46/1045880346.db2.gz FOLIFSHDWXJGPD-NRFANRHFSA-N 1 0 347.483 4.335 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)o1 ZINC000769110377 1045881185 /nfs/dbraw/zinc/88/11/85/1045881185.db2.gz XLBOTZPYOVMYER-HNNXBMFYSA-N 1 0 345.240 4.121 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000248996287 1045890899 /nfs/dbraw/zinc/89/08/99/1045890899.db2.gz OZPMSSKTJJMWJL-LJHODMEESA-N 1 0 325.843 4.496 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1)C(C)C ZINC000153869830 1045933713 /nfs/dbraw/zinc/93/37/13/1045933713.db2.gz MEBZVNSJHNUUBR-KRWDZBQOSA-N 1 0 349.478 4.280 20 30 EIEDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000614923594 1045944589 /nfs/dbraw/zinc/94/45/89/1045944589.db2.gz CYAMVIUTEUAGEB-KRWDZBQOSA-N 1 0 340.389 4.031 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CCO)c2ccccc2)cc1Cl ZINC000077468343 1045949358 /nfs/dbraw/zinc/94/93/58/1045949358.db2.gz BVPREIYFQGUIMV-GOSISDBHSA-N 1 0 331.843 4.118 20 30 EIEDRO C[C@H](Cc1ccccc1Cl)[NH2+]CCCOc1ccccc1C#N ZINC001170257076 1045956889 /nfs/dbraw/zinc/95/68/89/1045956889.db2.gz SFCWBPFIMDABFO-OAHLLOKOSA-N 1 0 328.843 4.201 20 30 EIEDRO COc1ccc(C(C)=NNc2ccc(C)cc2)cc1C[NH+]1CCCC1 ZINC000916250293 1045972259 /nfs/dbraw/zinc/97/22/59/1045972259.db2.gz SILPFFPTSUUKNQ-UHFFFAOYSA-N 1 0 337.467 4.436 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccccc3F)CC2)cc1 ZINC000769467409 1045983284 /nfs/dbraw/zinc/98/32/84/1045983284.db2.gz TVVRVUDOBBIQLX-INIZCTEOSA-N 1 0 338.426 4.496 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000237825967 1045983772 /nfs/dbraw/zinc/98/37/72/1045983772.db2.gz JZIYZKQXMOOPNI-JOCHJYFZSA-N 1 0 334.463 4.480 20 30 EIEDRO CCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000769471553 1045989569 /nfs/dbraw/zinc/98/95/69/1045989569.db2.gz VRMKIHLZXJHNJO-XWPNQZOQSA-N 1 0 342.483 4.003 20 30 EIEDRO Cc1ccc(CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC001170368060 1046017473 /nfs/dbraw/zinc/01/74/73/1046017473.db2.gz NDIYYGGPXHGGAT-UHFFFAOYSA-N 1 0 333.479 4.316 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3ccccc3[C@@H]2O)CC1 ZINC001170367391 1046017703 /nfs/dbraw/zinc/01/77/03/1046017703.db2.gz GHEJIGCDLDAAOB-JZEAKTPCSA-N 1 0 346.474 4.029 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1C ZINC001170365247 1046017759 /nfs/dbraw/zinc/01/77/59/1046017759.db2.gz SCYPGVUFCQYZCL-UHFFFAOYSA-N 1 0 334.463 4.497 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2c3ccccc3CC[C@@H]2O)CC1 ZINC001170369243 1046018450 /nfs/dbraw/zinc/01/84/50/1046018450.db2.gz UVMMJDDJRKUPMB-CIFBLZBGSA-N 1 0 346.474 4.029 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cn(CC3CCC3)cn2)CC1 ZINC001170374218 1046030111 /nfs/dbraw/zinc/03/01/11/1046030111.db2.gz VYBXBWQYOJICRS-UHFFFAOYSA-N 1 0 348.494 4.177 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170398059 1046031056 /nfs/dbraw/zinc/03/10/56/1046031056.db2.gz KHYCEMPMMPVNMS-UHFFFAOYSA-N 1 0 329.447 4.394 20 30 EIEDRO Cc1ccc([C@@H](CO)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001170375919 1046031270 /nfs/dbraw/zinc/03/12/70/1046031270.db2.gz HTBLNKZLLMEQDS-ATKRNPRHSA-N 1 0 334.463 4.022 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3ccccc3C2=O)CC1 ZINC001170376189 1046032319 /nfs/dbraw/zinc/03/23/19/1046032319.db2.gz LCBXOWVZJXUIQC-SWCONJRYSA-N 1 0 344.458 4.178 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCC(=O)c2cccnc2)CC1 ZINC001170376550 1046032887 /nfs/dbraw/zinc/03/28/87/1046032887.db2.gz OVGWJUBVBJLSFI-UHFFFAOYSA-N 1 0 347.462 4.038 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001170382442 1046033719 /nfs/dbraw/zinc/03/37/19/1046033719.db2.gz ARFRICQSAWQWHP-CCZBSFLLSA-N 1 0 330.422 4.368 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccc(Br)c3)C2)cc1 ZINC001170411162 1046043506 /nfs/dbraw/zinc/04/35/06/1046043506.db2.gz KIBKCYWSOWNUDH-KRWDZBQOSA-N 1 0 341.252 4.310 20 30 EIEDRO C[C@H]1C[NH+](CCCCC(C)(C)C#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000769727275 1046055891 /nfs/dbraw/zinc/05/58/91/1046055891.db2.gz VTSQMVMNKISZFY-HOTGVXAUSA-N 1 0 337.508 4.036 20 30 EIEDRO Cc1ccccc1C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000542592144 1046088273 /nfs/dbraw/zinc/08/82/73/1046088273.db2.gz XMXNDJGLPBWXEI-UHFFFAOYSA-N 1 0 347.462 4.075 20 30 EIEDRO CCc1noc(C)c1[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000769873747 1046103193 /nfs/dbraw/zinc/10/31/93/1046103193.db2.gz IILIIGVMFGPSAV-ZDUSSCGKSA-N 1 0 329.469 4.001 20 30 EIEDRO COc1ccc(C[NH2+]C2(C)CCC(C)CC2)cc1OCCCC#N ZINC000078760171 1046110970 /nfs/dbraw/zinc/11/09/70/1046110970.db2.gz XMTPTTNWGQYJJS-UHFFFAOYSA-N 1 0 330.472 4.436 20 30 EIEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000496952139 1046115273 /nfs/dbraw/zinc/11/52/73/1046115273.db2.gz YJLJXJFYNMODFS-IAGOWNOFSA-N 1 0 349.519 4.086 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000769988854 1046124178 /nfs/dbraw/zinc/12/41/78/1046124178.db2.gz OFRSYCKOOMVOLX-SUMWQHHRSA-N 1 0 337.872 4.264 20 30 EIEDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000763410738 1046139602 /nfs/dbraw/zinc/13/96/02/1046139602.db2.gz OEJOEFBKNHWDSM-PMACEKPBSA-N 1 0 338.451 4.364 20 30 EIEDRO C[C@@H](c1ccccc1)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)CC1CCC1 ZINC000763411702 1046144098 /nfs/dbraw/zinc/14/40/98/1046144098.db2.gz ULDKNPQUHGAWAP-HTAPYJJXSA-N 1 0 334.463 4.455 20 30 EIEDRO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000763413401 1046146442 /nfs/dbraw/zinc/14/64/42/1046146442.db2.gz KVEPJIPOHBVNEN-YSSFQJQWSA-N 1 0 338.451 4.220 20 30 EIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000770292826 1046174233 /nfs/dbraw/zinc/17/42/33/1046174233.db2.gz UCWAAUDKICMNBB-IEBWSBKVSA-N 1 0 343.492 4.401 20 30 EIEDRO C#CCCOc1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000770302629 1046175556 /nfs/dbraw/zinc/17/55/56/1046175556.db2.gz HXGITSNUGYCRQT-UHFFFAOYSA-N 1 0 325.374 4.253 20 30 EIEDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001170428798 1046187367 /nfs/dbraw/zinc/18/73/67/1046187367.db2.gz NMKIWBJKTCYOLT-MRXNPFEDSA-N 1 0 342.826 4.051 20 30 EIEDRO N#CC1CC[NH+](Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000123661926 1046191052 /nfs/dbraw/zinc/19/10/52/1046191052.db2.gz GHGNHGYJJAUNLZ-UHFFFAOYSA-N 1 0 345.240 4.445 20 30 EIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000123676807 1046191358 /nfs/dbraw/zinc/19/13/58/1046191358.db2.gz MOMQZTFRLWQZDY-UHFFFAOYSA-N 1 0 327.409 4.059 20 30 EIEDRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000321969407 1046195049 /nfs/dbraw/zinc/19/50/49/1046195049.db2.gz YVIMSDNSJDGJPC-WBAXXEDZSA-N 1 0 343.471 4.045 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1F ZINC000192142560 1046211714 /nfs/dbraw/zinc/21/17/14/1046211714.db2.gz FHPRGNHGLGJMNM-UHFFFAOYSA-N 1 0 342.389 4.018 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000793522408 1046265946 /nfs/dbraw/zinc/26/59/46/1046265946.db2.gz PVTVIGOUXJRQMI-DOTOQJQBSA-N 1 0 349.450 4.249 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(Cc3ccc(F)cc3)CC2)cc1 ZINC000770741592 1046265984 /nfs/dbraw/zinc/26/59/84/1046265984.db2.gz MMEAJTQQFPDNRE-MRXNPFEDSA-N 1 0 338.426 4.229 20 30 EIEDRO C=C(C)CN(CC)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000064237983 1046287580 /nfs/dbraw/zinc/28/75/80/1046287580.db2.gz FTQFMQRVJDGFLK-UHFFFAOYSA-N 1 0 343.515 4.170 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000497098802 1046340454 /nfs/dbraw/zinc/34/04/54/1046340454.db2.gz WCWABWQHMIJJJO-JOQOYGCGSA-N 1 0 341.455 4.303 20 30 EIEDRO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3coc4ccccc34)cc2)CC1 ZINC000771528918 1046437703 /nfs/dbraw/zinc/43/77/03/1046437703.db2.gz PGUIFUQTXOUVAG-FLIBITNWSA-N 1 0 346.430 4.081 20 30 EIEDRO C=C[C@H](CC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000126640122 1046510166 /nfs/dbraw/zinc/51/01/66/1046510166.db2.gz HERQPGYHRCQTAL-OAQYLSRUSA-N 1 0 348.490 4.081 20 30 EIEDRO N#Cc1sc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)nc1Cl ZINC000804499238 1046556827 /nfs/dbraw/zinc/55/68/27/1046556827.db2.gz ATZLVLJLKQUBJX-AWEZNQCLSA-N 1 0 346.887 4.307 20 30 EIEDRO CC[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000536650495 1046614708 /nfs/dbraw/zinc/61/47/08/1046614708.db2.gz IEXGTDANURQQDC-SFHVURJKSA-N 1 0 344.462 4.386 20 30 EIEDRO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000917071316 1046648327 /nfs/dbraw/zinc/64/83/27/1046648327.db2.gz QWXQLKCEHMKVQV-LBPRGKRZSA-N 1 0 329.271 4.067 20 30 EIEDRO C=CC[N@H+](CC(=O)N(C)C(c1ccccc1)c1ccccc1)C(C)C ZINC000917071739 1046651389 /nfs/dbraw/zinc/65/13/89/1046651389.db2.gz YPZHDLBMDAECFG-UHFFFAOYSA-N 1 0 336.479 4.131 20 30 EIEDRO CC[NH+](CC)CCCC1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000804607854 1046658581 /nfs/dbraw/zinc/65/85/81/1046658581.db2.gz AUXFEWBDBNHOLY-UHFFFAOYSA-N 1 0 340.924 4.007 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)ccc1OC ZINC000127380305 1046661298 /nfs/dbraw/zinc/66/12/98/1046661298.db2.gz FYBOPPCQROWUPE-SFHVURJKSA-N 1 0 326.440 4.315 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[NH+]1CCC(C2CCCCC2)CC1 ZINC000917133608 1046764171 /nfs/dbraw/zinc/76/41/71/1046764171.db2.gz GOHKRLYFMPACRV-UHFFFAOYSA-N 1 0 339.483 4.179 20 30 EIEDRO N#CC1CCC(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000929967609 1046803390 /nfs/dbraw/zinc/80/33/90/1046803390.db2.gz CSOPPNAGJBOSGR-UHFFFAOYSA-N 1 0 332.875 4.265 20 30 EIEDRO C=CCC1(C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)CCCCC1 ZINC001170467484 1046803806 /nfs/dbraw/zinc/80/38/06/1046803806.db2.gz IVJLDETXNSYUBV-UHFFFAOYSA-N 1 0 332.532 4.380 20 30 EIEDRO COc1cccc2cc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)oc21 ZINC000917175917 1046806814 /nfs/dbraw/zinc/80/68/14/1046806814.db2.gz NYMUJSWCSLQQRA-UHFFFAOYSA-N 1 0 332.403 4.478 20 30 EIEDRO CC[C@@H]1C[C@@H]([NH2+]CCCCC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170467587 1046807995 /nfs/dbraw/zinc/80/79/95/1046807995.db2.gz FKNCRKDNAKZOBT-OSYLJGHBSA-N 1 0 337.508 4.227 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CCC)c1ccc(Cl)c(Cl)c1 ZINC001142474326 1046808388 /nfs/dbraw/zinc/80/83/88/1046808388.db2.gz QPLPUCRVBKCAND-MRXNPFEDSA-N 1 0 343.298 4.459 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ncccc1C(F)(F)F ZINC000154368133 1046843110 /nfs/dbraw/zinc/84/31/10/1046843110.db2.gz BJWOKWXTXDTWFY-UHFFFAOYSA-N 1 0 333.357 4.383 20 30 EIEDRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC(C)(C)CC#N ZINC000459728256 1046865480 /nfs/dbraw/zinc/86/54/80/1046865480.db2.gz IKQBIUJIYVMZCX-NSHDSACASA-N 1 0 327.241 4.049 20 30 EIEDRO Cc1cc(Br)cc2c1[C@H]([NH2+]Cc1ccc(C#N)cc1)CC2 ZINC000786790564 1046870555 /nfs/dbraw/zinc/87/05/55/1046870555.db2.gz AAUHYELXMDFJRW-QGZVFWFLSA-N 1 0 341.252 4.406 20 30 EIEDRO C=CCC1(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)CCCC1 ZINC001130138666 1046875203 /nfs/dbraw/zinc/87/52/03/1046875203.db2.gz BMEFMDGNOJWPMO-UHFFFAOYSA-N 1 0 347.528 4.375 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000536995014 1046889089 /nfs/dbraw/zinc/88/90/89/1046889089.db2.gz ILPSAKDOPYEZGG-QGZVFWFLSA-N 1 0 336.907 4.081 20 30 EIEDRO COCc1cc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000787034671 1046895777 /nfs/dbraw/zinc/89/57/77/1046895777.db2.gz TWUZZMGYZMJLLL-VBKZILBWSA-N 1 0 336.435 4.051 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000537028877 1046904537 /nfs/dbraw/zinc/90/45/37/1046904537.db2.gz TXLPZUGNSMZVPD-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1c(O)ccc2ccncc21 ZINC000917485741 1046907014 /nfs/dbraw/zinc/90/70/14/1046907014.db2.gz WFWMNIIULXZMGZ-UHFFFAOYSA-N 1 0 334.419 4.137 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+]CCCC)cc1OCC ZINC000497664435 1046941995 /nfs/dbraw/zinc/94/19/95/1046941995.db2.gz YBERDRQRNPLCCG-UHFFFAOYSA-N 1 0 342.277 4.302 20 30 EIEDRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000537161210 1047012593 /nfs/dbraw/zinc/01/25/93/1047012593.db2.gz BHJRQDPOIIZXDD-UONOGXRCSA-N 1 0 347.528 4.241 20 30 EIEDRO C[C@@]1(COC(=O)CCCCCC#N)CCCC[N@@H+]1Cc1ccccc1 ZINC000805914310 1047051219 /nfs/dbraw/zinc/05/12/19/1047051219.db2.gz GZMOMVRIGXQZDH-NRFANRHFSA-N 1 0 342.483 4.448 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1cccc(C#N)c1 ZINC000537295013 1047076514 /nfs/dbraw/zinc/07/65/14/1047076514.db2.gz FVWFUAAJCTUDSY-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000788259852 1047147208 /nfs/dbraw/zinc/14/72/08/1047147208.db2.gz YSLJSWFBNJEEKW-XYJFISCASA-N 1 0 332.488 4.065 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccc(C)cc3)o2)cc1C#N ZINC000746742529 1047154655 /nfs/dbraw/zinc/15/46/55/1047154655.db2.gz SSCNMPWDBVILBV-UHFFFAOYSA-N 1 0 332.403 4.425 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000537405640 1047199894 /nfs/dbraw/zinc/19/98/94/1047199894.db2.gz RNPIOOSJOVIROK-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000788618801 1047249967 /nfs/dbraw/zinc/24/99/67/1047249967.db2.gz BLXRIAZINNHJQS-GFCCVEGCSA-N 1 0 335.781 4.481 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)c1ccccc1 ZINC000788619674 1047252660 /nfs/dbraw/zinc/25/26/60/1047252660.db2.gz FHDBKCDBVRYZDV-GKCIPKSASA-N 1 0 326.415 4.106 20 30 EIEDRO C#CCC[NH2+][C@@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000760297786 1047254459 /nfs/dbraw/zinc/25/44/59/1047254459.db2.gz VWKSHKOJQQDYRN-SFHVURJKSA-N 1 0 344.252 4.160 20 30 EIEDRO Cc1cc(C)c([C@H](C)[NH2+]CCSCc2ccccc2C#N)c(O)c1 ZINC000788653758 1047264414 /nfs/dbraw/zinc/26/44/14/1047264414.db2.gz YELMCOKCSMDRBP-INIZCTEOSA-N 1 0 340.492 4.465 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000666866683 1047268563 /nfs/dbraw/zinc/26/85/63/1047268563.db2.gz YDYVMTHDNHMHJA-QGZVFWFLSA-N 1 0 329.488 4.144 20 30 EIEDRO C=CCCC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000476085770 1047304484 /nfs/dbraw/zinc/30/44/84/1047304484.db2.gz VDFOEKQIKKJUAY-UYAOXDASSA-N 1 0 340.511 4.244 20 30 EIEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000918064502 1047310523 /nfs/dbraw/zinc/31/05/23/1047310523.db2.gz SUXKLTOYSKUNRP-SFHVURJKSA-N 1 0 343.515 4.025 20 30 EIEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000806619103 1047329294 /nfs/dbraw/zinc/32/92/94/1047329294.db2.gz XSKVGDNKSPBUIB-UYAOXDASSA-N 1 0 329.447 4.158 20 30 EIEDRO C=CCC(C)(C)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC001130801988 1047396763 /nfs/dbraw/zinc/39/67/63/1047396763.db2.gz YJLQCIBDAHHRDJ-UHFFFAOYSA-N 1 0 343.496 4.431 20 30 EIEDRO C#CCn1ccc(C[N@H+](CC)CCCSc2ccccc2Cl)n1 ZINC000789332673 1047404724 /nfs/dbraw/zinc/40/47/24/1047404724.db2.gz VPVXMXUKQXCTTA-UHFFFAOYSA-N 1 0 347.915 4.174 20 30 EIEDRO C=CCCCCCCNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000807094160 1047411384 /nfs/dbraw/zinc/41/13/84/1047411384.db2.gz UXRDCSWRHMARLN-MSOLQXFVSA-N 1 0 335.536 4.075 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000556060866 1047428589 /nfs/dbraw/zinc/42/85/89/1047428589.db2.gz NTFRCIAOYJOTAR-GJYPPUQNSA-N 1 0 328.456 4.111 20 30 EIEDRO CC[C@@H]([NH2+][C@H](CCC(=O)OC)c1ccccc1)c1ccc(C#N)cc1 ZINC000556078431 1047436833 /nfs/dbraw/zinc/43/68/33/1047436833.db2.gz LQMPEVQAWZEYCD-WOJBJXKFSA-N 1 0 336.435 4.293 20 30 EIEDRO C=CCC1(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)CCC1 ZINC001131026966 1047486072 /nfs/dbraw/zinc/48/60/72/1047486072.db2.gz HIMWKHIJZYUKMD-FQEVSTJZSA-N 1 0 340.511 4.102 20 30 EIEDRO N#CCC1CC[NH+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000556148470 1047502504 /nfs/dbraw/zinc/50/25/04/1047502504.db2.gz HOLVEEGQFCQZIJ-UHFFFAOYSA-N 1 0 344.256 4.123 20 30 EIEDRO CN(CCC#N)c1ccc(C=[NH+]N2CCC(C(C)(C)C)CC2)cc1 ZINC000790181686 1047531210 /nfs/dbraw/zinc/53/12/10/1047531210.db2.gz UJLVMSGEYNRONQ-UHFFFAOYSA-N 1 0 326.488 4.128 20 30 EIEDRO c1cnc(C2CCC2)c(N=NC2CCCC[C@@H]2[NH+]2CCCCCC2)n1 ZINC000807992049 1047567770 /nfs/dbraw/zinc/56/77/70/1047567770.db2.gz YHSDFZHVZMNUBG-SFHVURJKSA-N 1 0 341.503 4.331 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000556220878 1047597130 /nfs/dbraw/zinc/59/71/30/1047597130.db2.gz CONLQHNROBNBRA-BXWFABGCSA-N 1 0 332.463 4.212 20 30 EIEDRO CC[N@H+](CC(=O)NC1CCCCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000918740209 1047631955 /nfs/dbraw/zinc/63/19/55/1047631955.db2.gz YXANJLSNCDQPQC-KRWDZBQOSA-N 1 0 341.499 4.170 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000154821960 1047660834 /nfs/dbraw/zinc/66/08/34/1047660834.db2.gz QHWVABHNEARNAM-MSOLQXFVSA-N 1 0 345.446 4.296 20 30 EIEDRO CCc1ccc(C[N@H+](CCCC2(C#N)CCOCC2)C2CC2)cc1 ZINC000282076968 1047792211 /nfs/dbraw/zinc/79/22/11/1047792211.db2.gz UDEFJKPNTSZDPA-UHFFFAOYSA-N 1 0 326.484 4.314 20 30 EIEDRO CC(C)(C)[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000550706297 1047822814 /nfs/dbraw/zinc/82/28/14/1047822814.db2.gz CUOYFYVMTJXGSS-FQEVSTJZSA-N 1 0 340.442 4.107 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000556583761 1047832169 /nfs/dbraw/zinc/83/21/69/1047832169.db2.gz LHRQZJOEPFETJK-OAHLLOKOSA-N 1 0 336.907 4.428 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)nc1 ZINC000824230914 1047845618 /nfs/dbraw/zinc/84/56/18/1047845618.db2.gz DUDIBYYNRNZZLW-APWZRJJASA-N 1 0 325.843 4.108 20 30 EIEDRO C[C@]1(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1(Cl)Cl ZINC000824765014 1047916323 /nfs/dbraw/zinc/91/63/23/1047916323.db2.gz FVOYBHQRJHXLJU-OAHLLOKOSA-N 1 0 327.255 4.043 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000814249117 1047916535 /nfs/dbraw/zinc/91/65/35/1047916535.db2.gz IXUYUHZDGVXWQM-HZPDHXFCSA-N 1 0 349.434 4.317 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)cc1 ZINC000824969701 1048011797 /nfs/dbraw/zinc/01/17/97/1048011797.db2.gz IGHICZJRCIPWDS-SWLSCSKDSA-N 1 0 327.255 4.041 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000825045503 1048025021 /nfs/dbraw/zinc/02/50/21/1048025021.db2.gz FRMJFDKGASVUFQ-ZBEGNZNMSA-N 1 0 346.352 4.172 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000825104517 1048027354 /nfs/dbraw/zinc/02/73/54/1048027354.db2.gz YUXRNRIOLRSJNO-FQEVSTJZSA-N 1 0 335.451 4.357 20 30 EIEDRO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985803 1048032769 /nfs/dbraw/zinc/03/27/69/1048032769.db2.gz WFCBSPAQNYFLFT-QGZVFWFLSA-N 1 0 349.409 4.222 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000808707239 1048052441 /nfs/dbraw/zinc/05/24/41/1048052441.db2.gz IUEZHWMKNYXMDV-HXUWFJFHSA-N 1 0 330.431 4.347 20 30 EIEDRO SCc1ccccc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001170751334 1048056994 /nfs/dbraw/zinc/05/69/94/1048056994.db2.gz CWDVIFHANZEXGI-IBGZPJMESA-N 1 0 326.509 4.235 20 30 EIEDRO Cc1cccc([C@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000556867347 1048074888 /nfs/dbraw/zinc/07/48/88/1048074888.db2.gz AFZFPYRYVDTZGP-GOSISDBHSA-N 1 0 333.479 4.229 20 30 EIEDRO Cc1cc(C)cc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000556872097 1048093925 /nfs/dbraw/zinc/09/39/25/1048093925.db2.gz MQJSFNLHFBWXGA-SFHVURJKSA-N 1 0 333.479 4.495 20 30 EIEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccc(N2CCCOC2=O)cc1 ZINC000814655746 1048103937 /nfs/dbraw/zinc/10/39/37/1048103937.db2.gz WQINAFSAVYLEIN-OAHLLOKOSA-N 1 0 329.444 4.014 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000814659146 1048104061 /nfs/dbraw/zinc/10/40/61/1048104061.db2.gz KUBZUZXABNKPTE-OALUTQOASA-N 1 0 328.843 4.398 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000814659454 1048104457 /nfs/dbraw/zinc/10/44/57/1048104457.db2.gz NRMHYIAGQNXPMM-OALUTQOASA-N 1 0 330.378 4.023 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CCCCC#N)C2)C1 ZINC000814673330 1048111355 /nfs/dbraw/zinc/11/13/55/1048111355.db2.gz IDXNPGABOCERQR-MSOLQXFVSA-N 1 0 349.519 4.039 20 30 EIEDRO COc1ccc(C[N@H+](Cc2ccc(OCC#N)cc2)C(C)(C)C)cc1 ZINC000808795421 1048112879 /nfs/dbraw/zinc/11/28/79/1048112879.db2.gz NDXJIGNPSGWIDY-UHFFFAOYSA-N 1 0 338.451 4.398 20 30 EIEDRO C=CCN(Cc1cccs1)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000499052146 1048124037 /nfs/dbraw/zinc/12/40/37/1048124037.db2.gz AFSRRANDABQTSC-HOTGVXAUSA-N 1 0 340.492 4.102 20 30 EIEDRO CC(N=Nc1nc(Cl)c(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000814741109 1048154977 /nfs/dbraw/zinc/15/49/77/1048154977.db2.gz MKHALYWFOYJPHR-UHFFFAOYSA-N 1 0 335.666 4.171 20 30 EIEDRO Cc1c(F)cc(F)cc1CN1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001143768037 1048185704 /nfs/dbraw/zinc/18/57/04/1048185704.db2.gz VLMWAWXUQQEDSZ-SFHVURJKSA-N 1 0 342.389 4.188 20 30 EIEDRO CC(=NNc1ccc(OC(F)F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000814828848 1048190851 /nfs/dbraw/zinc/19/08/51/1048190851.db2.gz TVZLMZQUTBPRIH-UHFFFAOYSA-N 1 0 333.382 4.186 20 30 EIEDRO Oc1cccc(C=Nc2ccc(SCC[NH+]3CCCC3)cc2)c1O ZINC000844272866 1048263598 /nfs/dbraw/zinc/26/35/98/1048263598.db2.gz ZCCZAWQMTNZODD-UHFFFAOYSA-N 1 0 342.464 4.036 20 30 EIEDRO C=C(C)C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000132497265 1048316918 /nfs/dbraw/zinc/31/69/18/1048316918.db2.gz UTHYQPIOUCTZHQ-UHFFFAOYSA-N 1 0 337.463 4.437 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccsc2C)ccc1OC ZINC000815126123 1048337428 /nfs/dbraw/zinc/33/74/28/1048337428.db2.gz HIKNHQXFHZAEPA-MRXNPFEDSA-N 1 0 330.453 4.036 20 30 EIEDRO C=CCC(C)(C)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001144069294 1048396549 /nfs/dbraw/zinc/39/65/49/1048396549.db2.gz QBHSYPKNXIHQIP-MTQWCTHYSA-N 1 0 342.527 4.010 20 30 EIEDRO C=CCC(C)(C)C(=O)Nc1c(F)cccc1OCC1CC[NH+](C)CC1 ZINC001144072783 1048400579 /nfs/dbraw/zinc/40/05/79/1048400579.db2.gz HHXGPYPMGLCAMD-UHFFFAOYSA-N 1 0 348.462 4.087 20 30 EIEDRO N#Cc1cncc(C[NH+]2CCC(Cc3c(F)cccc3Cl)CC2)c1 ZINC001144079295 1048409976 /nfs/dbraw/zinc/40/99/76/1048409976.db2.gz HKBDHKGODFJVEA-UHFFFAOYSA-N 1 0 343.833 4.200 20 30 EIEDRO C=C(C)C[N@@H+](C[C@H](O)c1ccc(OC)cc1)[C@H](C)Cc1ccccc1 ZINC001171143185 1048453227 /nfs/dbraw/zinc/45/32/27/1048453227.db2.gz JHBCGTZQSKQGCH-GCJKJVERSA-N 1 0 339.479 4.238 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H]2CSc3ccc(Br)cc32)cc1 ZINC000809656134 1048456841 /nfs/dbraw/zinc/45/68/41/1048456841.db2.gz QVLXCEMJZQCKKF-MRXNPFEDSA-N 1 0 344.277 4.367 20 30 EIEDRO CC(C)(C)Oc1ccc([C@H]2CC[N@H+](Cc3ccc(C#N)cn3)C2)cc1 ZINC001144169322 1048483252 /nfs/dbraw/zinc/48/32/52/1048483252.db2.gz FSNQZMPPXMGHNZ-SFHVURJKSA-N 1 0 335.451 4.120 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2ccccc2s1)C(C)C ZINC001144197998 1048487685 /nfs/dbraw/zinc/48/76/85/1048487685.db2.gz QYISVIYNSDMDFR-QGZVFWFLSA-N 1 0 342.508 4.330 20 30 EIEDRO C=CCN(C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)C(C)C ZINC000844793102 1048501896 /nfs/dbraw/zinc/50/18/96/1048501896.db2.gz SAVMCJLVXZPSCK-UHFFFAOYSA-N 1 0 347.528 4.303 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)CCC(C)=C(C)C1)C(C)C ZINC001144203893 1048506995 /nfs/dbraw/zinc/50/69/95/1048506995.db2.gz GEZDHUBJUCVECE-TZIWHRDSSA-N 1 0 332.532 4.328 20 30 EIEDRO C#Cc1ccc(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000809754688 1048516616 /nfs/dbraw/zinc/51/66/16/1048516616.db2.gz MLIHAQKUMVNPAP-SFHVURJKSA-N 1 0 334.246 4.188 20 30 EIEDRO N#Cc1cccc(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000809754386 1048520228 /nfs/dbraw/zinc/52/02/28/1048520228.db2.gz JOUSGILRDKMIPX-KRWDZBQOSA-N 1 0 335.234 4.078 20 30 EIEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000815637253 1048566081 /nfs/dbraw/zinc/56/60/81/1048566081.db2.gz QWVDWRCYBRUPRW-QGZVFWFLSA-N 1 0 330.472 4.232 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc4ccccc4c3C#N)c2c1 ZINC001171164581 1048604327 /nfs/dbraw/zinc/60/43/27/1048604327.db2.gz JFQAPOCHJHGTIJ-OAHLLOKOSA-N 1 0 340.430 4.249 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000810047951 1048609490 /nfs/dbraw/zinc/60/94/90/1048609490.db2.gz QEXCTMYEXZFIHJ-QHCPKHFHSA-N 1 0 346.474 4.457 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cncc3ccccc32)c1 ZINC000772920975 1048658250 /nfs/dbraw/zinc/65/82/50/1048658250.db2.gz LKWWWQYTSQVDGM-LJQANCHMSA-N 1 0 331.419 4.206 20 30 EIEDRO CC(=NNc1cccc(F)c1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000920384411 1048661529 /nfs/dbraw/zinc/66/15/29/1048661529.db2.gz VHWIINCVJPXISW-UHFFFAOYSA-N 1 0 341.430 4.353 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Br)cc1 ZINC001171181189 1048671078 /nfs/dbraw/zinc/67/10/78/1048671078.db2.gz HOPLWPIKTJFDRX-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCOc1ccc(Cl)cc1 ZINC001171182333 1048671735 /nfs/dbraw/zinc/67/17/35/1048671735.db2.gz UUQGCMSKBYJXQM-OAHLLOKOSA-N 1 0 328.843 4.201 20 30 EIEDRO CCOC(=O)c1cccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1C ZINC001171182769 1048673999 /nfs/dbraw/zinc/67/39/99/1048673999.db2.gz SJTYDZBWHIILHC-UHFFFAOYSA-N 1 0 348.402 4.068 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1cc(CC[NH3+])c2cc(Cl)ccc21 ZINC001171182919 1048674321 /nfs/dbraw/zinc/67/43/21/1048674321.db2.gz ZSXJFZKVDLARRB-CQSZACIVSA-N 1 0 337.854 4.471 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1-c1cccnc1 ZINC001171189656 1048685180 /nfs/dbraw/zinc/68/51/80/1048685180.db2.gz INQYYBXUWFCXTR-QGZVFWFLSA-N 1 0 327.431 4.341 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Br)nc1 ZINC000810221535 1048690035 /nfs/dbraw/zinc/69/00/35/1048690035.db2.gz QMXRVZLUYJKQOQ-NWDGAFQWSA-N 1 0 330.229 4.128 20 30 EIEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171193679 1048697685 /nfs/dbraw/zinc/69/76/85/1048697685.db2.gz YCUXUJUEHVHUCA-HOTGVXAUSA-N 1 0 330.435 4.245 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC001171193772 1048704745 /nfs/dbraw/zinc/70/47/45/1048704745.db2.gz ZUTVLACOGMIYPV-LBPRGKRZSA-N 1 0 333.357 4.079 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(N3CCCCC3)cc1)CC2 ZINC000810211041 1048709568 /nfs/dbraw/zinc/70/95/68/1048709568.db2.gz KRAPGOPZEXKHGJ-HSZRJFAPSA-N 1 0 345.490 4.368 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(Br)nc1 ZINC000810237821 1048718819 /nfs/dbraw/zinc/71/88/19/1048718819.db2.gz KIMIDOKKHWHYAS-ZBEGNZNMSA-N 1 0 342.240 4.054 20 30 EIEDRO C=CCC[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001135445111 1048721907 /nfs/dbraw/zinc/72/19/07/1048721907.db2.gz JTQPWINKFSVYEQ-LJQANCHMSA-N 1 0 328.500 4.117 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)ccc1C#N ZINC000810251387 1048730353 /nfs/dbraw/zinc/73/03/53/1048730353.db2.gz RBZZKNBHALCQLZ-CQSZACIVSA-N 1 0 336.435 4.002 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1cc(CC[NH3+])c2ccc(Cl)cc21 ZINC001171199408 1048731457 /nfs/dbraw/zinc/73/14/57/1048731457.db2.gz ZNMVLIHFIRUXFC-AWEZNQCLSA-N 1 0 337.854 4.471 20 30 EIEDRO C#Cc1ccc(C[N@H+]2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)cc1 ZINC001144573887 1048734053 /nfs/dbraw/zinc/73/40/53/1048734053.db2.gz SCEWZQYAEIXXTE-HSZRJFAPSA-N 1 0 348.465 4.048 20 30 EIEDRO FC[C@H]1[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3C(F)(F)F)C[C@H]12 ZINC001138021557 1048744383 /nfs/dbraw/zinc/74/43/83/1048744383.db2.gz ODVMZJJTYVBDBM-CNDDSTCGSA-N 1 0 341.270 4.372 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC001171202329 1048769809 /nfs/dbraw/zinc/76/98/09/1048769809.db2.gz BKZNIQMMUMRMBP-WZONZLPQSA-N 1 0 341.458 4.396 20 30 EIEDRO C[C@@]1(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@]1(F)Cl ZINC000846037489 1048801897 /nfs/dbraw/zinc/80/18/97/1048801897.db2.gz NNOHXAPRKBUJBV-ZIAGYGMSSA-N 1 0 334.744 4.371 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1ncccc1C(F)(F)F ZINC001171211450 1048809553 /nfs/dbraw/zinc/80/95/53/1048809553.db2.gz ZUGMRLXRHRZFKF-ZDUSSCGKSA-N 1 0 333.357 4.035 20 30 EIEDRO C=CCSCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000236688330 1048833141 /nfs/dbraw/zinc/83/31/41/1048833141.db2.gz FZOKNMICEHVBOO-UHFFFAOYSA-N 1 0 338.476 4.146 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000218034763 1048836698 /nfs/dbraw/zinc/83/66/98/1048836698.db2.gz ZSEZFNQRSCHRJM-PBHICJAKSA-N 1 0 347.890 4.112 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cccc(F)c1 ZINC000921070359 1048840561 /nfs/dbraw/zinc/84/05/61/1048840561.db2.gz VGWINELOSKTVRP-MRXNPFEDSA-N 1 0 325.431 4.069 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)N1CCOC[C@H]1c1ccc(Cl)cc1 ZINC001171231003 1048869661 /nfs/dbraw/zinc/86/96/61/1048869661.db2.gz ZPVBQANRMAZJMF-QRWLVFNGSA-N 1 0 340.854 4.216 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)N1CCOC[C@H]1c1ccccc1Cl ZINC001171230693 1048869847 /nfs/dbraw/zinc/86/98/47/1048869847.db2.gz GCAYSIJQBRTYEI-QRWLVFNGSA-N 1 0 340.854 4.216 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(C)nc2C)cc(OC)c1OC ZINC000772948271 1048885922 /nfs/dbraw/zinc/88/59/22/1048885922.db2.gz VTPCLBIZQFVXDM-HNNXBMFYSA-N 1 0 340.467 4.295 20 30 EIEDRO CCCCCCCCCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000846700904 1048887896 /nfs/dbraw/zinc/88/78/96/1048887896.db2.gz ZSKGISPNDIFEKU-OTWHNJEPSA-N 1 0 338.536 4.015 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(Br)cc3C2)s1 ZINC001170855957 1048904797 /nfs/dbraw/zinc/90/47/97/1048904797.db2.gz GOWLUCQSGKQFQT-CQSZACIVSA-N 1 0 347.281 4.029 20 30 EIEDRO CC[C@@H]1[C@@H](C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC[N@@H+]1C ZINC001144978177 1048954440 /nfs/dbraw/zinc/95/44/40/1048954440.db2.gz PISWVWASJORAQD-VQTJNVASSA-N 1 0 349.434 4.019 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H]2CCc3ccc(Br)cc3C2)c1 ZINC001170870108 1048979331 /nfs/dbraw/zinc/97/93/31/1048979331.db2.gz VRSLKRURWMJCSW-OAHLLOKOSA-N 1 0 347.281 4.029 20 30 EIEDRO Cc1c2[nH]ccc2ccc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171276829 1049021334 /nfs/dbraw/zinc/02/13/34/1049021334.db2.gz DYVNGEOOFFTPJJ-UHFFFAOYSA-N 1 0 344.462 4.447 20 30 EIEDRO Cc1cnc(Cl)cc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277373 1049022910 /nfs/dbraw/zinc/02/29/10/1049022910.db2.gz RFFCUWZBXZPFFN-UHFFFAOYSA-N 1 0 340.858 4.014 20 30 EIEDRO CC(C)c1ccc(C(C)(C)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000609358119 1049031599 /nfs/dbraw/zinc/03/15/99/1049031599.db2.gz JIXDYNJSTNYJEC-UHFFFAOYSA-N 1 0 341.480 4.207 20 30 EIEDRO Cc1cc(Cl)cnc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277849 1049033992 /nfs/dbraw/zinc/03/39/92/1049033992.db2.gz WXJNGUHMGDQDIF-UHFFFAOYSA-N 1 0 340.858 4.014 20 30 EIEDRO C=C1CC(C)(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)C1 ZINC001146799198 1049059727 /nfs/dbraw/zinc/05/97/27/1049059727.db2.gz IYJGMIWOZDKSOG-KRWDZBQOSA-N 1 0 328.500 4.369 20 30 EIEDRO C=C1CC(C)(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)C1 ZINC001146799199 1049060549 /nfs/dbraw/zinc/06/05/49/1049060549.db2.gz IYJGMIWOZDKSOG-QGZVFWFLSA-N 1 0 328.500 4.369 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1C ZINC000609466639 1049075286 /nfs/dbraw/zinc/07/52/86/1049075286.db2.gz XRAAAPDFMLPONI-LJQANCHMSA-N 1 0 337.442 4.073 20 30 EIEDRO C[C@@H](CNc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000609495622 1049087295 /nfs/dbraw/zinc/08/72/95/1049087295.db2.gz DHKQBDJAUMXCDP-AWEZNQCLSA-N 1 0 325.843 4.070 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000135224384 1049087836 /nfs/dbraw/zinc/08/78/36/1049087836.db2.gz LLOKVKCPCXUJIC-JOCHJYFZSA-N 1 0 348.490 4.360 20 30 EIEDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc(C4(C#N)CC4)cc3)cccc21 ZINC001212259935 1049093754 /nfs/dbraw/zinc/09/37/54/1049093754.db2.gz BYPVTHYSRXTHTM-LJQANCHMSA-N 1 0 333.435 4.371 20 30 EIEDRO C#C[C@@H]([NH2+]C1CCC(c2nc(CC)no2)CC1)c1ccc(Cl)cc1 ZINC000811517536 1049102595 /nfs/dbraw/zinc/10/25/95/1049102595.db2.gz VCPQJLJONFRVEJ-BDVYOWHSSA-N 1 0 343.858 4.276 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCCCC2(C)C)ccc1OC ZINC000772980432 1049144474 /nfs/dbraw/zinc/14/44/74/1049144474.db2.gz OKMUIVRKTOKSFE-LPHOPBHVSA-N 1 0 330.472 4.435 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3ccc(OC)cc32)c1 ZINC000772981774 1049165808 /nfs/dbraw/zinc/16/58/08/1049165808.db2.gz AYJGNIDTHFEWLA-LAUBAEHRSA-N 1 0 336.435 4.153 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2C(C)C)ccc1OC ZINC000772983910 1049214584 /nfs/dbraw/zinc/21/45/84/1049214584.db2.gz ASWZIVWSNOMVDM-KZNAEPCWSA-N 1 0 330.472 4.290 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)Cc2cccc(F)c2)c1 ZINC000772985743 1049214807 /nfs/dbraw/zinc/21/48/07/1049214807.db2.gz XZGPBKNWTVXEJF-BEFAXECRSA-N 1 0 326.415 4.227 20 30 EIEDRO C[C@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)c1c(Cl)cccc1Cl ZINC000818998497 1049227735 /nfs/dbraw/zinc/22/77/35/1049227735.db2.gz HUMYQZDJOOJKJA-PXAZEXFGSA-N 1 0 349.261 4.292 20 30 EIEDRO C=CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccncc1 ZINC000819074034 1049259234 /nfs/dbraw/zinc/25/92/34/1049259234.db2.gz KIEYLZTXJYKLFR-IAGOWNOFSA-N 1 0 336.357 4.041 20 30 EIEDRO N#Cc1ccc([C@@H](O)CNc2ccc([NH+]3CCCCCC3)cc2)cc1 ZINC000819395107 1049302629 /nfs/dbraw/zinc/30/26/29/1049302629.db2.gz JTDIXUHNKMGZIA-NRFANRHFSA-N 1 0 335.451 4.084 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000819378218 1049311584 /nfs/dbraw/zinc/31/15/84/1049311584.db2.gz XCDZAWCEUBHABL-RTBURBONSA-N 1 0 344.817 4.051 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC001171333362 1049334495 /nfs/dbraw/zinc/33/44/95/1049334495.db2.gz VXLKYSUVCVAOSJ-WMZOPIPTSA-N 1 0 346.540 4.163 20 30 EIEDRO C[N@H+](CCc1cccc(Br)c1)Cc1ccc(F)c(C#N)c1 ZINC001170662221 1049366355 /nfs/dbraw/zinc/36/63/55/1049366355.db2.gz XFOVFWRSGGYBTA-UHFFFAOYSA-N 1 0 347.231 4.134 20 30 EIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3cccc(C#N)n3)cc2)C1 ZINC000609891485 1049384094 /nfs/dbraw/zinc/38/40/94/1049384094.db2.gz RQRWYHFRLRBWAA-CALCHBBNSA-N 1 0 334.467 4.043 20 30 EIEDRO N#Cc1c(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cn2ccccc12 ZINC000609916557 1049393623 /nfs/dbraw/zinc/39/36/23/1049393623.db2.gz XTMFRJLEEYZVCK-KRWDZBQOSA-N 1 0 333.410 4.015 20 30 EIEDRO C[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000609963944 1049421839 /nfs/dbraw/zinc/42/18/39/1049421839.db2.gz KQPVMWZTFWSRSO-STQMWFEESA-N 1 0 325.378 4.109 20 30 EIEDRO CC(C)[NH+](CCCNc1c(C#N)cnc2c(F)cc(F)cc21)C(C)C ZINC000348174322 1049473672 /nfs/dbraw/zinc/47/36/72/1049473672.db2.gz BVFAMHYATJGBSS-UHFFFAOYSA-N 1 0 346.425 4.305 20 30 EIEDRO COc1ccc(C(C)N=Nc2ccccc2F)cc1C[NH+]1CCCC1 ZINC000812459563 1049480069 /nfs/dbraw/zinc/48/00/69/1049480069.db2.gz AVUHYVZQUCBEKF-UHFFFAOYSA-N 1 0 341.430 4.266 20 30 EIEDRO COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC(C)(C)CCC#N)cc1 ZINC000348217596 1049488212 /nfs/dbraw/zinc/48/82/12/1049488212.db2.gz BESQEWLVCNOSEV-HXUWFJFHSA-N 1 0 337.467 4.294 20 30 EIEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ncc(C#N)c2ccsc21 ZINC001170680606 1049514450 /nfs/dbraw/zinc/51/44/50/1049514450.db2.gz BGAHEILIKJBRJG-LBPRGKRZSA-N 1 0 345.431 4.040 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H]2CCc3cc(F)cc(F)c3C2)ccc1Cl ZINC001170681314 1049523386 /nfs/dbraw/zinc/52/33/86/1049523386.db2.gz OBIBGZRPFMYMRI-OAHLLOKOSA-N 1 0 332.781 4.137 20 30 EIEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000773010116 1049525776 /nfs/dbraw/zinc/52/57/76/1049525776.db2.gz HKFNUZXOOYUHGK-INIZCTEOSA-N 1 0 325.477 4.379 20 30 EIEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000773033273 1049545244 /nfs/dbraw/zinc/54/52/44/1049545244.db2.gz AEPHXERVWXNKPT-NSHDSACASA-N 1 0 333.325 4.344 20 30 EIEDRO CC[C@H](c1ccccc1)[N@H+](CC)CCOc1ccc(C#N)cc1OC ZINC000610132616 1049555390 /nfs/dbraw/zinc/55/53/90/1049555390.db2.gz KZPCALIWDHCHTO-LJQANCHMSA-N 1 0 338.451 4.419 20 30 EIEDRO C=CCOc1ccccc1[C@@H](C)Nc1ccccc1Cn1cc[nH+]c1N ZINC001171376385 1049556864 /nfs/dbraw/zinc/55/68/64/1049556864.db2.gz VMLNFYMZMJXKDI-MRXNPFEDSA-N 1 0 348.450 4.252 20 30 EIEDRO CC(C)c1nccnc1N=NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000773089974 1049577156 /nfs/dbraw/zinc/57/71/56/1049577156.db2.gz CSMSWNWOFABUDA-KDURUIRLSA-N 1 0 349.482 4.195 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](CCOC)Cc1cccc(F)c1)c1ccccc1 ZINC000773115764 1049586205 /nfs/dbraw/zinc/58/62/05/1049586205.db2.gz OVPLKYFBIOCGME-RTWAWAEBSA-N 1 0 325.427 4.128 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1CC)c1ccccc1 ZINC000773106678 1049587217 /nfs/dbraw/zinc/58/72/17/1049587217.db2.gz LLRUDKHSIAIMQD-XLIONFOSSA-N 1 0 334.463 4.320 20 30 EIEDRO C#C[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C)c1ccc(F)cc1 ZINC000812793436 1049590530 /nfs/dbraw/zinc/59/05/30/1049590530.db2.gz TZTDFTPVGMMTAE-VQIMIIECSA-N 1 0 338.426 4.124 20 30 EIEDRO N#CCSCCC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000080723064 1049597808 /nfs/dbraw/zinc/59/78/08/1049597808.db2.gz ONKGGSMIBMYPDJ-UHFFFAOYSA-N 1 0 339.302 4.065 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853863 1049615865 /nfs/dbraw/zinc/61/58/65/1049615865.db2.gz TWHLNGMQILVXHC-KUHUBIRLSA-N 1 0 328.843 4.156 20 30 EIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001133494659 1049620962 /nfs/dbraw/zinc/62/09/62/1049620962.db2.gz QIFKLTSFNKLEPR-BZSNNMDCSA-N 1 0 340.577 4.069 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCCOc2ccc(F)cc2)cc1 ZINC000237567303 1049623841 /nfs/dbraw/zinc/62/38/41/1049623841.db2.gz ZSNPDKKCQDIEGS-MRXNPFEDSA-N 1 0 342.414 4.065 20 30 EIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000037000047 1049654526 /nfs/dbraw/zinc/65/45/26/1049654526.db2.gz RBRCHRFUZHBYCU-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO N#Cc1ccc(OCCNc2ccc3c(c2)[nH]c2cc[nH+]cc23)cc1 ZINC001171484529 1049716062 /nfs/dbraw/zinc/71/60/62/1049716062.db2.gz MALARUSOVKRQAP-UHFFFAOYSA-N 1 0 328.375 4.079 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC001171491518 1049719222 /nfs/dbraw/zinc/71/92/22/1049719222.db2.gz VWUQFWGSAXKESO-OAQYLSRUSA-N 1 0 338.426 4.303 20 30 EIEDRO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171471390 1049725807 /nfs/dbraw/zinc/72/58/07/1049725807.db2.gz HKMRQVILNLJPTM-GOSISDBHSA-N 1 0 326.390 4.238 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccc(C#N)cc1 ZINC001171509293 1049740433 /nfs/dbraw/zinc/74/04/33/1049740433.db2.gz UOVKYTQNBLCMKA-ABAIWWIYSA-N 1 0 330.353 4.184 20 30 EIEDRO C#CCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171592860 1049751876 /nfs/dbraw/zinc/75/18/76/1049751876.db2.gz GLOZQYSLASHLHO-IAGOWNOFSA-N 1 0 336.520 4.194 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC(C)(C)S)C[C@H]1C(C)(C)C ZINC001171589190 1049752445 /nfs/dbraw/zinc/75/24/45/1049752445.db2.gz LFDMLEXOAFUWJD-KBPBESRZSA-N 1 0 344.565 4.099 20 30 EIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC001171572416 1049757761 /nfs/dbraw/zinc/75/77/61/1049757761.db2.gz IGHLTRWGPOISHZ-LBPRGKRZSA-N 1 0 329.387 4.152 20 30 EIEDRO C=CC[C@H]([NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000822455329 1049764848 /nfs/dbraw/zinc/76/48/48/1049764848.db2.gz CPBOSRMRMPLYTF-NJAFHUGGSA-N 1 0 345.487 4.076 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001171615974 1049766593 /nfs/dbraw/zinc/76/65/93/1049766593.db2.gz RRLBYXCLIKGDIK-IBGZPJMESA-N 1 0 332.463 4.071 20 30 EIEDRO N#C[C@H]1CC[N@@H+](C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171654603 1049771111 /nfs/dbraw/zinc/77/11/11/1049771111.db2.gz YJOMAHASLAGKHI-BZOOQXSSSA-N 1 0 333.273 4.321 20 30 EIEDRO CC[C@@H]1C[C@H]([NH2+]CCCCC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171817653 1049801782 /nfs/dbraw/zinc/80/17/82/1049801782.db2.gz FKNCRKDNAKZOBT-BJWYYQGGSA-N 1 0 337.508 4.227 20 30 EIEDRO N#Cc1ccc(CC2CC[NH+]([C@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171805046 1049807336 /nfs/dbraw/zinc/80/73/36/1049807336.db2.gz LDDFDYWFBWEONM-FQEVSTJZSA-N 1 0 334.438 4.119 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC)c1ccncc1 ZINC000747872334 1049811291 /nfs/dbraw/zinc/81/12/91/1049811291.db2.gz WPSOFKGAFPKKLA-AUUYWEPGSA-N 1 0 339.439 4.017 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)N[C@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842148 1049812687 /nfs/dbraw/zinc/81/26/87/1049812687.db2.gz ZLASBTWCSJZVAS-MAUKXSAKSA-N 1 0 334.891 4.195 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001171921052 1049816620 /nfs/dbraw/zinc/81/66/20/1049816620.db2.gz QWDVHNZZWYEUPF-KBRIMQKVSA-N 1 0 327.390 4.463 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000813790018 1049817415 /nfs/dbraw/zinc/81/74/15/1049817415.db2.gz GZRJWQRTBOLHRO-NOTZXAQLSA-N 1 0 345.490 4.234 20 30 EIEDRO COC(=O)c1cc2cc(C[NH2+]C(C)(C)c3cccc(C#N)c3)ccc2o1 ZINC001171911652 1049818829 /nfs/dbraw/zinc/81/88/29/1049818829.db2.gz TXABHJCUUITHMP-UHFFFAOYSA-N 1 0 348.402 4.116 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC23CCC(C(C)(C)CC)CC3)CC1 ZINC001136669733 1049821435 /nfs/dbraw/zinc/82/14/35/1049821435.db2.gz MVZBOSASIPDTDU-OZWAEMERSA-N 1 0 346.559 4.386 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC000813879936 1049830878 /nfs/dbraw/zinc/83/08/78/1049830878.db2.gz SUPHYTQHIHWMCY-SJORKVTESA-N 1 0 334.504 4.110 20 30 EIEDRO C#CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)CCCCC1 ZINC001172091832 1049848614 /nfs/dbraw/zinc/84/86/14/1049848614.db2.gz ZJECJHACGBJRNE-BCDXTJNWSA-N 1 0 346.515 4.233 20 30 EIEDRO CN(Cc1cccs1)c1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000823423738 1049849646 /nfs/dbraw/zinc/84/96/46/1049849646.db2.gz NWLLVWVRURIXOQ-UHFFFAOYSA-N 1 0 325.481 4.120 20 30 EIEDRO N#CC1(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172069620 1049852480 /nfs/dbraw/zinc/85/24/80/1049852480.db2.gz VXSWURBFOWBBHX-MZADTFQBSA-N 1 0 337.511 4.246 20 30 EIEDRO C[C@@H](C#N)Oc1ccccc1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000180206695 1049864986 /nfs/dbraw/zinc/86/49/86/1049864986.db2.gz SRXAVNIVDOLIOG-ZIFCJYIRSA-N 1 0 341.499 4.432 20 30 EIEDRO C#CCCCC[NH2+]C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172211122 1049865780 /nfs/dbraw/zinc/86/57/80/1049865780.db2.gz QPXIQKBYMYAXRZ-UHFFFAOYSA-N 1 0 347.886 4.087 20 30 EIEDRO C#C[C@@](C)(CC)[NH2+]C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172216175 1049866771 /nfs/dbraw/zinc/86/67/71/1049866771.db2.gz YZJJBMHQUYOQFT-SYYJFZTOSA-N 1 0 347.886 4.085 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000823703197 1049870219 /nfs/dbraw/zinc/87/02/19/1049870219.db2.gz XGRONWOOGLJJHK-SFHVURJKSA-N 1 0 330.516 4.120 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1cccc(Br)c1 ZINC001172314631 1049875918 /nfs/dbraw/zinc/87/59/18/1049875918.db2.gz KZQGEEIADLYKNA-CQSZACIVSA-N 1 0 343.268 4.384 20 30 EIEDRO COc1cccc(C2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172313339 1049875678 /nfs/dbraw/zinc/87/56/78/1049875678.db2.gz VBTDYRVLAFCGFM-QGZVFWFLSA-N 1 0 334.463 4.377 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(n2ncc3ccccc32)CC1 ZINC001172318938 1049876625 /nfs/dbraw/zinc/87/66/25/1049876625.db2.gz JODROTJPSKTKSF-KRWDZBQOSA-N 1 0 344.462 4.176 20 30 EIEDRO CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172320406 1049877372 /nfs/dbraw/zinc/87/73/72/1049877372.db2.gz VDWLIVAAUZIGBM-WMZHIEFXSA-N 1 0 347.506 4.086 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(OCC#N)cc1 ZINC000823830883 1049878305 /nfs/dbraw/zinc/87/83/05/1049878305.db2.gz ICVAGYJNJLPUJU-ZBEGNZNMSA-N 1 0 346.352 4.344 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccccc1Br ZINC001172290147 1049880583 /nfs/dbraw/zinc/88/05/83/1049880583.db2.gz MQYRJYNCRLMGLE-CQSZACIVSA-N 1 0 343.268 4.084 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Br)cc1F ZINC001172292662 1049881532 /nfs/dbraw/zinc/88/15/32/1049881532.db2.gz QDFYYQLOZBZEOP-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1c(-c2ccccc2)cnc1[C@H](C)[NH3+] ZINC001172295171 1049882139 /nfs/dbraw/zinc/88/21/39/1049882139.db2.gz BDVKGQWUEGUNEU-CVEARBPZSA-N 1 0 330.435 4.245 20 30 EIEDRO COc1ccc(CC2(C[NH2+][C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172299338 1049882591 /nfs/dbraw/zinc/88/25/91/1049882591.db2.gz JPEPLSCXWWMZFK-QGZVFWFLSA-N 1 0 334.463 4.110 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)cc1Br ZINC001172298057 1049883040 /nfs/dbraw/zinc/88/30/40/1049883040.db2.gz UNZBUSACSGNLGF-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC001171035448 1049886103 /nfs/dbraw/zinc/88/61/03/1049886103.db2.gz BIGSTFQZGDOFHT-SJKOYZFVSA-N 1 0 333.863 4.097 20 30 EIEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001172354271 1049892797 /nfs/dbraw/zinc/89/27/97/1049892797.db2.gz FZYPHKWRCHTLNK-CADBVGFASA-N 1 0 349.519 4.149 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001172357206 1049894441 /nfs/dbraw/zinc/89/44/41/1049894441.db2.gz JGOJOQLGOFAWSD-QGZVFWFLSA-N 1 0 349.519 4.405 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001172359273 1049895185 /nfs/dbraw/zinc/89/51/85/1049895185.db2.gz ULKVMDWUGYBKEJ-CQSZACIVSA-N 1 0 336.442 4.268 20 30 EIEDRO CCCCCCC[C@@H](CC)N1CCn2c(nnc2C(F)(F)F)C1 ZINC001172358558 1049895666 /nfs/dbraw/zinc/89/56/66/1049895666.db2.gz QHUOFOAZFZOIPX-CYBMUJFWSA-N 1 0 332.414 4.252 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC001172487386 1049910116 /nfs/dbraw/zinc/91/01/16/1049910116.db2.gz HKBZFCTWNOWLTJ-AWEZNQCLSA-N 1 0 337.870 4.115 20 30 EIEDRO C[C@@H](CCCC#N)n1cc(CC[NH3+])c2cccc(Br)c21 ZINC001172484450 1049911181 /nfs/dbraw/zinc/91/11/81/1049911181.db2.gz DUHBBFAJEGZQLU-LBPRGKRZSA-N 1 0 334.261 4.160 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001172486417 1049911440 /nfs/dbraw/zinc/91/14/40/1049911440.db2.gz BSYWLZYHQRNYDG-AEFFLSMTSA-N 1 0 330.472 4.001 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC001172491755 1049920702 /nfs/dbraw/zinc/92/07/02/1049920702.db2.gz HFVUCTWNJHIORM-AWEZNQCLSA-N 1 0 340.389 4.071 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001172494344 1049921603 /nfs/dbraw/zinc/92/16/03/1049921603.db2.gz ZEGKACZXIFXHGA-OAHLLOKOSA-N 1 0 331.460 4.248 20 30 EIEDRO C[C@H](CCCC#N)[N@H+]([C@H](C)c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC001172497725 1049921611 /nfs/dbraw/zinc/92/16/11/1049921611.db2.gz DUJCZYQDQQLPOX-DBXWQHBBSA-N 1 0 325.500 4.226 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001172493789 1049921877 /nfs/dbraw/zinc/92/18/77/1049921877.db2.gz CYGQRPFKGIIINZ-IEBWSBKVSA-N 1 0 347.453 4.306 20 30 EIEDRO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+]([C@@H](C)CCCC#N)C3)c1 ZINC001172495126 1049922122 /nfs/dbraw/zinc/92/21/22/1049922122.db2.gz MVWJPSMVQCZKLO-TYPHKJRUSA-N 1 0 341.499 4.091 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+]CC1(C(=O)OC)CCOCC1 ZINC001172501812 1049922606 /nfs/dbraw/zinc/92/26/06/1049922606.db2.gz KLZMDXOPZQZSPK-KRWDZBQOSA-N 1 0 327.509 4.075 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001172502078 1049922694 /nfs/dbraw/zinc/92/26/94/1049922694.db2.gz NMVCOUQMDIYHGJ-FQEVSTJZSA-N 1 0 325.585 4.131 20 30 EIEDRO CCCC[C@H]1C[N@@H+]([C@@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172498441 1049923408 /nfs/dbraw/zinc/92/34/08/1049923408.db2.gz MWLAXGCKZLCWMS-IRXDYDNUSA-N 1 0 337.508 4.180 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+]Cc1ccnc(OCCOC)n1 ZINC001172507868 1049925343 /nfs/dbraw/zinc/92/53/43/1049925343.db2.gz CGSAFSVAOMTNDG-KRWDZBQOSA-N 1 0 337.508 4.121 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+]Cc1cc(OCCOC)ncn1 ZINC001172507929 1049925506 /nfs/dbraw/zinc/92/55/06/1049925506.db2.gz DLRSTXFJKHNFIZ-QGZVFWFLSA-N 1 0 337.508 4.121 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001172510274 1049926198 /nfs/dbraw/zinc/92/61/98/1049926198.db2.gz YTUUZATXRSYIDK-CQSZACIVSA-N 1 0 328.847 4.101 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(Sc3ccccc3)CC2)cc1 ZINC000069026067 1049956986 /nfs/dbraw/zinc/95/69/86/1049956986.db2.gz SKSNMUVZTIEZOP-INIZCTEOSA-N 1 0 338.476 4.392 20 30 EIEDRO CC1(C)CC([NH+]2CCC(C#Cc3ccccc3)CC2)CC(C)(C)O1 ZINC001172660230 1049958224 /nfs/dbraw/zinc/95/82/24/1049958224.db2.gz GRJLYYQEXLVZOE-UHFFFAOYSA-N 1 0 325.496 4.486 20 30 EIEDRO [NH2+]=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccc2cc(O)ccc2c1 ZINC001172713923 1049972325 /nfs/dbraw/zinc/97/23/25/1049972325.db2.gz SDXYZYFKYJHCON-GOSISDBHSA-N 1 0 336.822 4.072 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1 ZINC000181401708 1050115841 /nfs/dbraw/zinc/11/58/41/1050115841.db2.gz PZQPGIZMTUKCKC-LIRRHRJNSA-N 1 0 327.859 4.165 20 30 EIEDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N1CCCC1 ZINC000181397353 1050115928 /nfs/dbraw/zinc/11/59/28/1050115928.db2.gz QUMMAMPMJSFIRK-DYESRHJHSA-N 1 0 349.478 4.055 20 30 EIEDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N1CCCC1 ZINC000181397219 1050116191 /nfs/dbraw/zinc/11/61/91/1050116191.db2.gz KJUAEHYVPZKKNN-UWJYYQICSA-N 1 0 349.478 4.055 20 30 EIEDRO CCN(CCC[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000181419453 1050120564 /nfs/dbraw/zinc/12/05/64/1050120564.db2.gz QHFFWLSCADSQMJ-GOSISDBHSA-N 1 0 337.467 4.156 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccsc1 ZINC000181491176 1050149336 /nfs/dbraw/zinc/14/93/36/1050149336.db2.gz TZWSWISKZUVILU-DNVCBOLYSA-N 1 0 327.497 4.353 20 30 EIEDRO CCC(CC)[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCC1 ZINC001177199560 1050159499 /nfs/dbraw/zinc/15/94/99/1050159499.db2.gz LUBJAWSCGKHVLJ-OAQYLSRUSA-N 1 0 341.543 4.478 20 30 EIEDRO CC[NH+](CC)[C@H](CNCc1ccc(C2(C#N)CC2)cc1)CC(C)C ZINC001177209650 1050160701 /nfs/dbraw/zinc/16/07/01/1050160701.db2.gz PZKINJUQXXGEND-FQEVSTJZSA-N 1 0 327.516 4.088 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)C1CC1 ZINC000090723422 1050202177 /nfs/dbraw/zinc/20/21/77/1050202177.db2.gz RCCQYKUYQHIYDM-OAQYLSRUSA-N 1 0 329.484 4.217 20 30 EIEDRO COc1cc(C#N)c(F)cc1Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001212691209 1050202925 /nfs/dbraw/zinc/20/29/25/1050202925.db2.gz DQPUFTIXRKJZNF-UHFFFAOYSA-N 1 0 339.414 4.259 20 30 EIEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181570357 1050215716 /nfs/dbraw/zinc/21/57/16/1050215716.db2.gz LAGBXOVSDBRSJC-QZTJIDSGSA-N 1 0 338.451 4.324 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3cc(F)cc(F)c3C#N)cc2)CC1 ZINC001212692499 1050232109 /nfs/dbraw/zinc/23/21/09/1050232109.db2.gz XJEBKDYTTBLNGM-UHFFFAOYSA-N 1 0 327.378 4.389 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1cccc(C#N)c1 ZINC000181596518 1050236303 /nfs/dbraw/zinc/23/63/03/1050236303.db2.gz XJIGLYHIPDRNHK-OAHLLOKOSA-N 1 0 345.402 4.254 20 30 EIEDRO C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001172943323 1050242571 /nfs/dbraw/zinc/24/25/71/1050242571.db2.gz FHOAKXWTAPKLBS-OAHLLOKOSA-N 1 0 345.487 4.028 20 30 EIEDRO CCCCCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172969479 1050248748 /nfs/dbraw/zinc/24/87/48/1050248748.db2.gz WUMFNFGKOGFEKG-SJORKVTESA-N 1 0 337.508 4.228 20 30 EIEDRO CCCC[C@@H](CC)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976083 1050250105 /nfs/dbraw/zinc/25/01/05/1050250105.db2.gz LYANOJSNCXYTOA-IKGGRYGDSA-N 1 0 337.508 4.084 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3ccc(F)cc3Cl)cc2)CC1 ZINC001177732712 1050288713 /nfs/dbraw/zinc/28/87/13/1050288713.db2.gz AMFINBUBPADVNV-UHFFFAOYSA-N 1 0 328.818 4.367 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC1(C#N)CCCC1 ZINC001173075227 1050290016 /nfs/dbraw/zinc/29/00/16/1050290016.db2.gz YRDXPBPZFIZLTP-CYBMUJFWSA-N 1 0 326.362 4.190 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1csc(C#N)c1 ZINC001173076662 1050292906 /nfs/dbraw/zinc/29/29/06/1050292906.db2.gz VNHUPNWNNRMHPF-LLVKDONJSA-N 1 0 340.370 4.239 20 30 EIEDRO C=CCN1CC[C@@]2(CCC[N@@H+](C3CCC4(CCCCC4)CC3)C2)C1=O ZINC001173116429 1050312447 /nfs/dbraw/zinc/31/24/47/1050312447.db2.gz NRNHWFRUARKDQM-JOCHJYFZSA-N 1 0 344.543 4.380 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cc1OC ZINC000069752702 1050328302 /nfs/dbraw/zinc/32/83/02/1050328302.db2.gz MFCSSZKUBILNEM-PBHICJAKSA-N 1 0 327.424 4.266 20 30 EIEDRO N#Cc1ccc2c(c1)C[N@H+](C1CCC(Oc3ccccc3)CC1)CC2 ZINC001173199888 1050345684 /nfs/dbraw/zinc/34/56/84/1050345684.db2.gz KIGFSVQYFRZTOR-UHFFFAOYSA-N 1 0 332.447 4.307 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cccc(-n2cccn2)c1 ZINC000181843548 1050354905 /nfs/dbraw/zinc/35/49/05/1050354905.db2.gz ARKGIFWEQPUPOJ-DLBZAZTESA-N 1 0 346.434 4.186 20 30 EIEDRO C=CCN1CC[NH+]([C@H](C)CC(c2ccccc2)c2ccccc2)CC1 ZINC001173212152 1050370867 /nfs/dbraw/zinc/37/08/67/1050370867.db2.gz WCZIAAMWPIRNFS-HXUWFJFHSA-N 1 0 334.507 4.401 20 30 EIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H](C)Cc1ccc(CC)cc1)C2 ZINC001173249157 1050376630 /nfs/dbraw/zinc/37/66/30/1050376630.db2.gz YCZSBVGJDWUGOD-NYVOZVTQSA-N 1 0 343.511 4.006 20 30 EIEDRO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](CCCC)CC(C)C ZINC001173262828 1050386624 /nfs/dbraw/zinc/38/66/24/1050386624.db2.gz UREJCHTYJPLNOO-HKUYNNGSSA-N 1 0 348.535 4.005 20 30 EIEDRO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@H](CCCC)CC(C)C ZINC001173262831 1050386920 /nfs/dbraw/zinc/38/69/20/1050386920.db2.gz UREJCHTYJPLNOO-IEBWSBKVSA-N 1 0 348.535 4.005 20 30 EIEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[C@@H](CC)C3)C2)CC1 ZINC001173275871 1050389716 /nfs/dbraw/zinc/38/97/16/1050389716.db2.gz WIAJEAUALQMPOO-QZTJIDSGSA-N 1 0 334.504 4.066 20 30 EIEDRO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001173265825 1050390442 /nfs/dbraw/zinc/39/04/42/1050390442.db2.gz AVOSOJVLELHZNR-NBQZKYEYSA-N 1 0 337.467 4.272 20 30 EIEDRO C=CCOC1CCC(n2cc(CC[NH3+])c3cc(Cl)ccc32)CC1 ZINC001173311921 1050405877 /nfs/dbraw/zinc/40/58/77/1050405877.db2.gz QZTKFQZYJFJYDW-UHFFFAOYSA-N 1 0 332.875 4.482 20 30 EIEDRO Cc1nsc(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001186756905 1050406786 /nfs/dbraw/zinc/40/67/86/1050406786.db2.gz HOHKOKATQCKVFF-HNNXBMFYSA-N 1 0 329.494 4.080 20 30 EIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001173285157 1050413634 /nfs/dbraw/zinc/41/36/34/1050413634.db2.gz ORYWBHREYXHDBF-KRWDZBQOSA-N 1 0 343.577 4.463 20 30 EIEDRO C=CCOC1CCC([N@@H+](C)[C@@H](CCC)C(=O)c2ccccc2)CC1 ZINC001173322721 1050414603 /nfs/dbraw/zinc/41/46/03/1050414603.db2.gz JWMAJKRJWWNLIB-MHJFOBGBSA-N 1 0 329.484 4.484 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cncc(Br)c1C)c1ccccc1 ZINC001178223146 1050415617 /nfs/dbraw/zinc/41/56/17/1050415617.db2.gz PLPCDWINQTUZCL-KRWDZBQOSA-N 1 0 329.241 4.007 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(C#N)cc1 ZINC000618568115 1050416496 /nfs/dbraw/zinc/41/64/96/1050416496.db2.gz SFSPEFAKJJNYQN-HKUYNNGSSA-N 1 0 341.405 4.156 20 30 EIEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173324511 1050417244 /nfs/dbraw/zinc/41/72/44/1050417244.db2.gz OQJIOQCEMKEZQK-CPFNUKBASA-N 1 0 349.519 4.084 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC3(CC2)OCCc2ccccc23)CC1 ZINC001173323674 1050418136 /nfs/dbraw/zinc/41/81/36/1050418136.db2.gz FAWJISLZGLOITK-UHFFFAOYSA-N 1 0 341.495 4.064 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)CC1 ZINC001173326667 1050418591 /nfs/dbraw/zinc/41/85/91/1050418591.db2.gz MJJUHRDIMKIFTI-CBNMVNINSA-N 1 0 329.484 4.056 20 30 EIEDRO CC[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000618570144 1050419024 /nfs/dbraw/zinc/41/90/24/1050419024.db2.gz RJQKFMSBFBMEHH-SFTDATJTSA-N 1 0 344.462 4.316 20 30 EIEDRO COc1cccc(C(F)(F)F)c1C[NH2+]C1CCC(CC#N)CC1 ZINC001173330026 1050419971 /nfs/dbraw/zinc/41/99/71/1050419971.db2.gz RRSYOSQJZPGDRT-UHFFFAOYSA-N 1 0 326.362 4.276 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC001173328474 1050420290 /nfs/dbraw/zinc/42/02/90/1050420290.db2.gz AYZCCNSSDXFASU-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO N#CCC1CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC001173330278 1050420671 /nfs/dbraw/zinc/42/06/71/1050420671.db2.gz NECTZMZLPGJQDX-QOZQQMKHSA-N 1 0 327.255 4.089 20 30 EIEDRO N#CCC1CCC([NH2+]CC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001173328676 1050420973 /nfs/dbraw/zinc/42/09/73/1050420973.db2.gz JJCQRGMZZUNLFG-UHFFFAOYSA-N 1 0 342.336 4.089 20 30 EIEDRO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C1CCC(CC#N)CC1 ZINC001173331018 1050422064 /nfs/dbraw/zinc/42/20/64/1050422064.db2.gz JTBIKSFVCOGOKM-RZZCCWGQSA-N 1 0 349.519 4.084 20 30 EIEDRO N#CCC1CCC([NH2+]CC2(Cc3ccccc3F)CCOCC2)CC1 ZINC001173333406 1050422793 /nfs/dbraw/zinc/42/27/93/1050422793.db2.gz LAMTVCIHTFNNQX-UHFFFAOYSA-N 1 0 344.474 4.227 20 30 EIEDRO C[N@H+](CCc1cccc(C(F)(F)F)n1)C1CCC(CC#N)CC1 ZINC001173331855 1050423436 /nfs/dbraw/zinc/42/34/36/1050423436.db2.gz UTOPNXWJKDYZIX-UHFFFAOYSA-N 1 0 325.378 4.047 20 30 EIEDRO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](C4CCC(CC#N)CC4)C[C@H]3O2)n1 ZINC001173335997 1050424994 /nfs/dbraw/zinc/42/49/94/1050424994.db2.gz JMTNUJGJTZFPHL-PCNFGOCFSA-N 1 0 345.512 4.076 20 30 EIEDRO C[C@@H](Cc1ccccc1Br)[NH2+]C1CCC(CC#N)CC1 ZINC001173334815 1050425366 /nfs/dbraw/zinc/42/53/66/1050425366.db2.gz YLSKDJDSCRSAGO-HLIUYOAVSA-N 1 0 335.289 4.442 20 30 EIEDRO N#CCC1CCC([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)CC1 ZINC001173337071 1050425643 /nfs/dbraw/zinc/42/56/43/1050425643.db2.gz YASHPKYGRKXMHA-UHFFFAOYSA-N 1 0 338.373 4.416 20 30 EIEDRO COc1cccc(C[C@@H]2CCC[N@@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173336541 1050425888 /nfs/dbraw/zinc/42/58/88/1050425888.db2.gz CWYDTQRZJSFMDE-SYYJFZTOSA-N 1 0 326.484 4.422 20 30 EIEDRO CC[N@H+](C1CCC(CC#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173338083 1050427077 /nfs/dbraw/zinc/42/70/77/1050427077.db2.gz WSUKYAQAHSPWLN-ABHNRTSZSA-N 1 0 349.519 4.180 20 30 EIEDRO C[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173337781 1050428625 /nfs/dbraw/zinc/42/86/25/1050428625.db2.gz SUEOGIDWUAATBW-ADKAHSJRSA-N 1 0 349.519 4.038 20 30 EIEDRO CCOc1ccc(NC2CC[NH+](C3CCC(CC#N)CC3)CC2)cc1 ZINC001173340760 1050430495 /nfs/dbraw/zinc/43/04/95/1050430495.db2.gz KVKRYBUYJQZDOS-UHFFFAOYSA-N 1 0 341.499 4.434 20 30 EIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1=O ZINC001173345603 1050433711 /nfs/dbraw/zinc/43/37/11/1050433711.db2.gz TZTXYEOUJYLZHK-KNQAVFIVSA-N 1 0 344.543 4.380 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(-c3nccs3)cc2)CC1 ZINC001173315015 1050438429 /nfs/dbraw/zinc/43/84/29/1050438429.db2.gz ZOUSEYVHGWYGJE-UHFFFAOYSA-N 1 0 328.481 4.414 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC001173320240 1050441695 /nfs/dbraw/zinc/44/16/95/1050441695.db2.gz JKDLMEUMJWFAMI-UHFFFAOYSA-N 1 0 333.447 4.183 20 30 EIEDRO COc1cccc(C(C)(C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182055923 1050449764 /nfs/dbraw/zinc/44/97/64/1050449764.db2.gz HNLIXSVKWUTSDN-MRXNPFEDSA-N 1 0 338.451 4.226 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccc(F)c(F)c1 ZINC000775071447 1050463559 /nfs/dbraw/zinc/46/35/59/1050463559.db2.gz AIOFZXIFYWKUIE-INIZCTEOSA-N 1 0 340.414 4.086 20 30 EIEDRO C#Cc1ccc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)cc1 ZINC001178425754 1050468758 /nfs/dbraw/zinc/46/87/58/1050468758.db2.gz GVBYTXWCDOYEJO-QHCPKHFHSA-N 1 0 327.427 4.158 20 30 EIEDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1c(C#N)cnc2c(Cl)cccc21 ZINC001187035484 1050474781 /nfs/dbraw/zinc/47/47/81/1050474781.db2.gz XSSPYTCDCGWVCJ-AWEZNQCLSA-N 1 0 342.874 4.292 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000182110673 1050482288 /nfs/dbraw/zinc/48/22/88/1050482288.db2.gz CTGGQYAQDQFOHF-MJXNMMHHSA-N 1 0 326.827 4.392 20 30 EIEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586498 1050492930 /nfs/dbraw/zinc/49/29/30/1050492930.db2.gz ACFVRBPERPTMQY-HMFCVHIJSA-N 1 0 349.519 4.084 20 30 EIEDRO COc1cccc(CC2(C[NH2+]C3CCC(C)(C#N)CC3)CCC2)c1 ZINC001173591013 1050494549 /nfs/dbraw/zinc/49/45/49/1050494549.db2.gz HAFCIOMYMBCSHN-UHFFFAOYSA-N 1 0 326.484 4.470 20 30 EIEDRO COc1cccc(O[C@@H]2CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173596422 1050496191 /nfs/dbraw/zinc/49/61/91/1050496191.db2.gz WOQKSJCICPYARM-NQKNOSNGSA-N 1 0 328.456 4.011 20 30 EIEDRO C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173592357 1050496806 /nfs/dbraw/zinc/49/68/06/1050496806.db2.gz NCYZZIBONFCXJS-ZRDSACAASA-N 1 0 349.519 4.084 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2C2CCC(C)(C#N)CC2)cc1OC ZINC001173595869 1050497515 /nfs/dbraw/zinc/49/75/15/1050497515.db2.gz ADIXXJTVVBTXPH-OHTSDLOESA-N 1 0 328.456 4.313 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596806 1050498937 /nfs/dbraw/zinc/49/89/37/1050498937.db2.gz DHSOXQBPEVKSAF-RRWXTXHCSA-N 1 0 349.519 4.086 20 30 EIEDRO C[N@H+](C1CCC(C)(C#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001173597077 1050500265 /nfs/dbraw/zinc/50/02/65/1050500265.db2.gz KQHUSXCPUGVSFC-NYLDSWQDSA-N 1 0 325.500 4.055 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(OC(F)F)cc1 ZINC000618802271 1050520023 /nfs/dbraw/zinc/52/00/23/1050520023.db2.gz HRAAKQSLBXTAJM-SGTLLEGYSA-N 1 0 328.362 4.498 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC001173670930 1050522628 /nfs/dbraw/zinc/52/26/28/1050522628.db2.gz MVSZMZJBCWDPTH-UHFFFAOYSA-N 1 0 326.406 4.091 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(-n2ccnc2)cc1 ZINC000618804749 1050534467 /nfs/dbraw/zinc/53/44/67/1050534467.db2.gz LTCFWMPFQSZDEQ-BTYIYWSLSA-N 1 0 328.419 4.082 20 30 EIEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1(C)C ZINC001178935468 1050585748 /nfs/dbraw/zinc/58/57/48/1050585748.db2.gz ZCPUEFZDTDNYJL-ZWKOTPCHSA-N 1 0 326.484 4.314 20 30 EIEDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618988320 1050621163 /nfs/dbraw/zinc/62/11/63/1050621163.db2.gz PILCPRGIAALSPN-WOJBJXKFSA-N 1 0 347.418 4.466 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](COC)CC(C)(C)C)ccc1OC ZINC001179034549 1050621991 /nfs/dbraw/zinc/62/19/91/1050621991.db2.gz JYXIUZRZYZNYRX-KRWDZBQOSA-N 1 0 335.488 4.191 20 30 EIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2N(C)C)CC1 ZINC001179184101 1050640611 /nfs/dbraw/zinc/64/06/11/1050640611.db2.gz SENACRIHTOQVBR-MXVIHJGJSA-N 1 0 343.515 4.088 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC001179304892 1050666581 /nfs/dbraw/zinc/66/65/81/1050666581.db2.gz XIQZNMIHHNAGAP-UHFFFAOYSA-N 1 0 331.463 4.194 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC001179303873 1050667051 /nfs/dbraw/zinc/66/70/51/1050667051.db2.gz BXYDFIZGIJOYKO-UHFFFAOYSA-N 1 0 343.833 4.109 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cccc(Oc3ccccn3)c2)cc1C#N ZINC001179562645 1050717088 /nfs/dbraw/zinc/71/70/88/1050717088.db2.gz JTSNCVLHABCJFM-UHFFFAOYSA-N 1 0 329.403 4.344 20 30 EIEDRO C=C1CCC(C[NH2+]Cc2cc(OC)c(Br)cc2F)CC1 ZINC001179541197 1050722478 /nfs/dbraw/zinc/72/24/78/1050722478.db2.gz GXYMUXQAQVDWQL-UHFFFAOYSA-N 1 0 342.252 4.433 20 30 EIEDRO C=C1CCC(C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC001179541660 1050723051 /nfs/dbraw/zinc/72/30/51/1050723051.db2.gz PYZVKNXEZOJTAL-UHFFFAOYSA-N 1 0 336.520 4.406 20 30 EIEDRO CC(C)Oc1cccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001174112334 1050737426 /nfs/dbraw/zinc/73/74/26/1050737426.db2.gz GIGOFFOPAKJWSO-UHFFFAOYSA-N 1 0 327.453 4.138 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc4ncccc43)CC2)cc1 ZINC000182542290 1050737379 /nfs/dbraw/zinc/73/73/79/1050737379.db2.gz NXYLIOKBMNHQEV-UHFFFAOYSA-N 1 0 342.446 4.183 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@]2(C)CCOC3(CCC3)C2)cc1OC ZINC001179622040 1050741693 /nfs/dbraw/zinc/74/16/93/1050741693.db2.gz SKPZKLOGOXOCEB-FQEVSTJZSA-N 1 0 345.483 4.089 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCc3ccccc3C2)cc(OC)c1O ZINC001179706492 1050761021 /nfs/dbraw/zinc/76/10/21/1050761021.db2.gz QBYLGRUOOMZVJG-HXUWFJFHSA-N 1 0 337.463 4.167 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(Br)cn1 ZINC000619465913 1050789839 /nfs/dbraw/zinc/78/98/39/1050789839.db2.gz GKMYMBDDWVKBRV-DIFFPNOSSA-N 1 0 342.240 4.054 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000619508331 1050794418 /nfs/dbraw/zinc/79/44/18/1050794418.db2.gz XLISGDYGMHGAKS-ACJLOTCBSA-N 1 0 346.434 4.258 20 30 EIEDRO CC(C)[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccnn1C ZINC000619508725 1050796016 /nfs/dbraw/zinc/79/60/16/1050796016.db2.gz LYEBHFPTRRSKPK-VQTJNVASSA-N 1 0 336.483 4.089 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508753 1050797534 /nfs/dbraw/zinc/79/75/34/1050797534.db2.gz VIJIWJIVBYFFNE-VXKWHMMOSA-N 1 0 327.431 4.475 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1ccc(C#N)cc1 ZINC000070693821 1050814218 /nfs/dbraw/zinc/81/42/18/1050814218.db2.gz UALRTSYJNQZSRI-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO CCOc1ccc2c(c1)C[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC001179989743 1050842994 /nfs/dbraw/zinc/84/29/94/1050842994.db2.gz VHQKHRDNYALMAB-UHFFFAOYSA-N 1 0 332.447 4.199 20 30 EIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)C12CCCCC2 ZINC001180097108 1050866410 /nfs/dbraw/zinc/86/64/10/1050866410.db2.gz BCCPCGWNTBDGGI-PMACEKPBSA-N 1 0 342.483 4.127 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC001180051933 1050867818 /nfs/dbraw/zinc/86/78/18/1050867818.db2.gz MRTBFQPPWRTMMZ-FUHWJXTLSA-N 1 0 335.900 4.212 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC001180051937 1050868557 /nfs/dbraw/zinc/86/85/57/1050868557.db2.gz MRTBFQPPWRTMMZ-WMZOPIPTSA-N 1 0 335.900 4.212 20 30 EIEDRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619754820 1050882507 /nfs/dbraw/zinc/88/25/07/1050882507.db2.gz LISSGHJPIQAZQS-AWEZNQCLSA-N 1 0 344.842 4.088 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755386 1050885082 /nfs/dbraw/zinc/88/50/82/1050885082.db2.gz HBAZTKWUNXFXJJ-AWEZNQCLSA-N 1 0 328.843 4.331 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)CC2 ZINC000619754879 1050885318 /nfs/dbraw/zinc/88/53/18/1050885318.db2.gz NQTADRUITLSQLZ-QGZVFWFLSA-N 1 0 342.826 4.006 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)c(F)c1 ZINC001180183356 1050894433 /nfs/dbraw/zinc/89/44/33/1050894433.db2.gz CBQPHUCURBYFTP-LJQANCHMSA-N 1 0 326.390 4.434 20 30 EIEDRO CCCCC[N@H+](CC(=O)Nc1ccccc1SCC#N)C(C)C ZINC000152952336 1050906913 /nfs/dbraw/zinc/90/69/13/1050906913.db2.gz RXPIQZXVYWMNTO-UHFFFAOYSA-N 1 0 333.501 4.141 20 30 EIEDRO CCC[N@@H+]1CCc2c(N)sc(Nc3ccc(Cl)c(C#N)c3)c2C1 ZINC001174403664 1050909686 /nfs/dbraw/zinc/90/96/86/1050909686.db2.gz URKQSVCBECNXLM-UHFFFAOYSA-N 1 0 346.887 4.367 20 30 EIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc(Cl)c(C#N)c1 ZINC001174402928 1050921877 /nfs/dbraw/zinc/92/18/77/1050921877.db2.gz BBYGFRJOKGYNDA-UHFFFAOYSA-N 1 0 340.858 4.016 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153001006 1050926680 /nfs/dbraw/zinc/92/66/80/1050926680.db2.gz BBYSBTHLHKTFRY-LJQANCHMSA-N 1 0 331.460 4.066 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)c(Br)c1 ZINC001180349302 1050964232 /nfs/dbraw/zinc/96/42/32/1050964232.db2.gz KUVQJGSFLLDIBL-AVGNSLFASA-N 1 0 337.261 4.191 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC001180524553 1051014422 /nfs/dbraw/zinc/01/44/22/1051014422.db2.gz ZKLIGKMJKCHFNW-JOCHJYFZSA-N 1 0 334.463 4.121 20 30 EIEDRO CC(C)[C@@H]1CN([C@H](C)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001174572961 1051059928 /nfs/dbraw/zinc/05/99/28/1051059928.db2.gz CABOPWGWDZDQBY-XXBNENTESA-N 1 0 347.506 4.462 20 30 EIEDRO CCCCC[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000775320104 1051061584 /nfs/dbraw/zinc/06/15/84/1051061584.db2.gz MJZXRXAHDQFSCF-OAQYLSRUSA-N 1 0 349.478 4.086 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1cccc(C#N)c1 ZINC000775335537 1051090156 /nfs/dbraw/zinc/09/01/56/1051090156.db2.gz LUZRYPRPYGQNHV-CQSZACIVSA-N 1 0 339.464 4.183 20 30 EIEDRO C=CC[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)C(C)(C)C ZINC001174643035 1051096925 /nfs/dbraw/zinc/09/69/25/1051096925.db2.gz ZQWXUDSEDCZCIK-HXUWFJFHSA-N 1 0 328.500 4.321 20 30 EIEDRO C=C(C)Cc1ccc(C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001190233239 1051134704 /nfs/dbraw/zinc/13/47/04/1051134704.db2.gz OPPFGYZRXGRFQD-UHFFFAOYSA-N 1 0 328.500 4.186 20 30 EIEDRO COc1ccc(C[N@H+](C[C@@H](C)CCC#N)CC2CCC2)c(OC)c1 ZINC001181154217 1051169453 /nfs/dbraw/zinc/16/94/53/1051169453.db2.gz MZUBUNOCRYCWMK-INIZCTEOSA-N 1 0 330.472 4.246 20 30 EIEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758108 1051179975 /nfs/dbraw/zinc/17/99/75/1051179975.db2.gz ACFFQVHIWPSNMU-PBHICJAKSA-N 1 0 340.389 4.031 20 30 EIEDRO C=CCN(Cc1ccccc1F)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001190486235 1051188400 /nfs/dbraw/zinc/18/84/00/1051188400.db2.gz XYPYNCXUBULMDA-SFHVURJKSA-N 1 0 337.797 4.340 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)c1ccccc1 ZINC000775399486 1051222678 /nfs/dbraw/zinc/22/26/78/1051222678.db2.gz HTJZVQYBJSLKSK-OAQYLSRUSA-N 1 0 348.490 4.168 20 30 EIEDRO C#CC[C@@H]([NH2+]CCCc1nc(-c2cccs2)no1)c1ccccc1 ZINC000775400798 1051226893 /nfs/dbraw/zinc/22/68/93/1051226893.db2.gz MWIXUWZGXDUDRZ-MRXNPFEDSA-N 1 0 337.448 4.085 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccccc1 ZINC000775398746 1051228629 /nfs/dbraw/zinc/22/86/29/1051228629.db2.gz LLPFOPCOXMBSLO-NRFANRHFSA-N 1 0 328.415 4.133 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC000775400249 1051235797 /nfs/dbraw/zinc/23/57/97/1051235797.db2.gz NKJAMVAHRDQFIS-FQEVSTJZSA-N 1 0 335.447 4.496 20 30 EIEDRO CCCCCCCC[NH+]1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC001190713589 1051252337 /nfs/dbraw/zinc/25/23/37/1051252337.db2.gz NYVAZDJLALKXNR-UHFFFAOYSA-N 1 0 330.516 4.042 20 30 EIEDRO C=CCC1(C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001181751719 1051294827 /nfs/dbraw/zinc/29/48/27/1051294827.db2.gz BDUWRUDFHHODCL-SJORKVTESA-N 1 0 336.520 4.358 20 30 EIEDRO C=CCC1(C[NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001181751716 1051295236 /nfs/dbraw/zinc/29/52/36/1051295236.db2.gz BDUWRUDFHHODCL-IRXDYDNUSA-N 1 0 336.520 4.358 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccccc3C3CC3)CC2)c1 ZINC001190903496 1051308213 /nfs/dbraw/zinc/30/82/13/1051308213.db2.gz BMWSCPCUFKGQAM-UHFFFAOYSA-N 1 0 332.447 4.479 20 30 EIEDRO Fc1cccc(F)c1CCN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC001190975730 1051317485 /nfs/dbraw/zinc/31/74/85/1051317485.db2.gz HISRXJNDQZPCSR-UHFFFAOYSA-N 1 0 347.249 4.324 20 30 EIEDRO COC(=O)c1cccc(C[N@H+](C)[C@H](c2ccccc2)C(C)C)c1C#N ZINC001190954030 1051322333 /nfs/dbraw/zinc/32/23/33/1051322333.db2.gz GMUHEKZZLQTVNR-FQEVSTJZSA-N 1 0 336.435 4.174 20 30 EIEDRO C#CCCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000773954609 1051328481 /nfs/dbraw/zinc/32/84/81/1051328481.db2.gz JTLNGUIRYYSECQ-INIZCTEOSA-N 1 0 340.492 4.412 20 30 EIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191156571 1051366845 /nfs/dbraw/zinc/36/68/45/1051366845.db2.gz LXGHIXWUZFUSRH-CRAIPNDOSA-N 1 0 335.407 4.153 20 30 EIEDRO Brc1ccc(/C=C/C[NH2+]CC#Cc2ccccc2)cc1 ZINC001181970977 1051372986 /nfs/dbraw/zinc/37/29/86/1051372986.db2.gz HCNSANSVGZHUCQ-WEVVVXLNSA-N 1 0 326.237 4.104 20 30 EIEDRO C=C1CC=C(F)C=C1NC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001182044601 1051379622 /nfs/dbraw/zinc/37/96/22/1051379622.db2.gz AZZUWSNAXGRBKR-UHFFFAOYSA-N 1 0 340.442 4.102 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cccc(C)c2C)cc1 ZINC001191144517 1051381570 /nfs/dbraw/zinc/38/15/70/1051381570.db2.gz JVVMUSHDTUAOOL-JOCHJYFZSA-N 1 0 346.474 4.450 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)ccc1Cl ZINC001191193195 1051393637 /nfs/dbraw/zinc/39/36/37/1051393637.db2.gz JZBVAVNUKHOTSU-HOCLYGCPSA-N 1 0 347.890 4.016 20 30 EIEDRO C#CCCCCCCCCC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001182186315 1051417376 /nfs/dbraw/zinc/41/73/76/1051417376.db2.gz GIWYLWXAAGUEJX-HXUWFJFHSA-N 1 0 332.532 4.217 20 30 EIEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC001182217048 1051434064 /nfs/dbraw/zinc/43/40/64/1051434064.db2.gz YYUOFVIHLFIKIV-KNQAVFIVSA-N 1 0 332.447 4.132 20 30 EIEDRO CC(C)(C)[PH+](CCCNC(=O)c1ccnc(C#N)c1)C(C)(C)C ZINC001191559706 1051487503 /nfs/dbraw/zinc/48/75/03/1051487503.db2.gz SCHNZCZMJOYFLJ-UHFFFAOYSA-N 1 0 333.416 4.152 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC(C)C)c1)c1ccc(C#N)cc1 ZINC000774204222 1051500269 /nfs/dbraw/zinc/50/02/69/1051500269.db2.gz QOOVYHROKLMKLH-LEWJYISDSA-N 1 0 338.451 4.120 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cc(C)oc2C)ccc1OC ZINC000774237704 1051512275 /nfs/dbraw/zinc/51/22/75/1051512275.db2.gz POUIUHDMEAOUNO-YOEHRIQHSA-N 1 0 342.439 4.437 20 30 EIEDRO C=CCC1([NH2+]C[C@H](O)c2ccccc2Br)CCCCC1 ZINC001175371702 1051557815 /nfs/dbraw/zinc/55/78/15/1051557815.db2.gz JQZQURRCNRYCTD-INIZCTEOSA-N 1 0 338.289 4.351 20 30 EIEDRO C[NH+](C)[C@@H](C/N=C/c1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000183872850 1051574453 /nfs/dbraw/zinc/57/44/53/1051574453.db2.gz RYERJDHHJIIBTH-RSFOSLOZSA-N 1 0 336.357 4.133 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)cc1C#N ZINC001175410578 1051579109 /nfs/dbraw/zinc/57/91/09/1051579109.db2.gz LTSCUYRNGLSGCV-QGZVFWFLSA-N 1 0 330.435 4.123 20 30 EIEDRO C=CCCCCC[NH+]1CCC(NC(=O)OCc2ccccc2)CC1 ZINC001175471600 1051603154 /nfs/dbraw/zinc/60/31/54/1051603154.db2.gz BEJSRWAOCAYIQK-UHFFFAOYSA-N 1 0 330.472 4.124 20 30 EIEDRO N#Cc1c(F)c(F)cc(NC2=CC[N@H+](Cc3ccccc3)CC2)c1F ZINC001175507794 1051640618 /nfs/dbraw/zinc/64/06/18/1051640618.db2.gz WVNHMOHDYVPNPQ-UHFFFAOYSA-N 1 0 343.352 4.177 20 30 EIEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1cccc(OC)c1OC ZINC001175525113 1051650519 /nfs/dbraw/zinc/65/05/19/1051650519.db2.gz YGGIJAKRYOWCNP-GOSISDBHSA-N 1 0 343.854 4.450 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001175580214 1051676564 /nfs/dbraw/zinc/67/65/64/1051676564.db2.gz XBUHVBZPVHVEOD-RTBURBONSA-N 1 0 348.531 4.292 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cn2)c1 ZINC000775523695 1051701446 /nfs/dbraw/zinc/70/14/46/1051701446.db2.gz LKUJSWXNPIYZTR-CJNGLKHVSA-N 1 0 329.831 4.267 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1ccc(Cl)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000774565598 1051770880 /nfs/dbraw/zinc/77/08/80/1051770880.db2.gz LLOHTFOVOARKMQ-IFXJQAMLSA-N 1 0 328.843 4.328 20 30 EIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(C(C)C)cc1C(F)(F)F ZINC001183080493 1051776370 /nfs/dbraw/zinc/77/63/70/1051776370.db2.gz RYVMGAZWDYESQC-UHFFFAOYSA-N 1 0 340.389 4.419 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774569084 1051779627 /nfs/dbraw/zinc/77/96/27/1051779627.db2.gz XCFIMKRLEGUCKB-LJQANCHMSA-N 1 0 331.843 4.070 20 30 EIEDRO N#CCc1cccc2c1CC[N@H+](Cc1ccccc1N1CCCCC1)C2 ZINC001183180138 1051802130 /nfs/dbraw/zinc/80/21/30/1051802130.db2.gz LJRPDLCYXGNALN-UHFFFAOYSA-N 1 0 345.490 4.301 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC001183247367 1051815977 /nfs/dbraw/zinc/81/59/77/1051815977.db2.gz BXKKQGDCXQAUMH-RRQVMCLOSA-N 1 0 348.531 4.497 20 30 EIEDRO C#CC[C@H]([NH2+]CCc1ccccc1Br)c1ccccc1 ZINC001192791304 1051818152 /nfs/dbraw/zinc/81/81/52/1051818152.db2.gz KCMXDAIFAAVJIR-SFHVURJKSA-N 1 0 328.253 4.346 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(C(F)(F)F)cc1 ZINC000775553481 1051824493 /nfs/dbraw/zinc/82/44/93/1051824493.db2.gz OZTZVUKDFXXYEH-GDBMZVCRSA-N 1 0 341.373 4.256 20 30 EIEDRO C=CCC[C@H]([NH2+]CCC1OCCCO1)c1ccc(C(F)(F)F)cc1 ZINC000775552173 1051824504 /nfs/dbraw/zinc/82/45/04/1051824504.db2.gz GBWHGWXKYIMCGO-INIZCTEOSA-N 1 0 343.389 4.455 20 30 EIEDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC001192919369 1051833618 /nfs/dbraw/zinc/83/36/18/1051833618.db2.gz VABALRIJMVTPMI-QZTJIDSGSA-N 1 0 333.479 4.140 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC([NH+](CC)CC)CC1 ZINC001192931071 1051838988 /nfs/dbraw/zinc/83/89/88/1051838988.db2.gz HWKDCPQEMCUJIN-KRWDZBQOSA-N 1 0 325.541 4.251 20 30 EIEDRO C=CC[C@@H]1CC[C@H](Nc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC001183463719 1051846673 /nfs/dbraw/zinc/84/66/73/1051846673.db2.gz JKJOQCQXORPGLQ-SJORKVTESA-N 1 0 331.479 4.124 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175973113 1051854923 /nfs/dbraw/zinc/85/49/23/1051854923.db2.gz JYUIEOWGLMJNQK-YSZBQJHXSA-N 1 0 345.490 4.073 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C)[C@H]1CCCO1 ZINC000775571237 1051872081 /nfs/dbraw/zinc/87/20/81/1051872081.db2.gz DCPQFTJDUMYDQD-OAUYIBNBSA-N 1 0 344.455 4.089 20 30 EIEDRO C#CC[C@H]1CC[N@@H+](Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)C1 ZINC001176071736 1051886213 /nfs/dbraw/zinc/88/62/13/1051886213.db2.gz ZIDJEPMMHHDUBV-LBPRGKRZSA-N 1 0 335.234 4.494 20 30 EIEDRO C[C@H]([NH2+]Cc1cncc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC001193224817 1051886750 /nfs/dbraw/zinc/88/67/50/1051886750.db2.gz OTOQTRKJMJTXBR-KRWDZBQOSA-N 1 0 327.431 4.263 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775587259 1051894376 /nfs/dbraw/zinc/89/43/76/1051894376.db2.gz VJONGVLKSHTLGR-LJQANCHMSA-N 1 0 344.817 4.072 20 30 EIEDRO CSc1ccc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)cc1C#N ZINC001183798986 1051901242 /nfs/dbraw/zinc/90/12/42/1051901242.db2.gz HVSMXTURJSLBFY-MSOLQXFVSA-N 1 0 344.524 4.496 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001193385356 1051913944 /nfs/dbraw/zinc/91/39/44/1051913944.db2.gz UMJAHUONTDPVOH-STQMWFEESA-N 1 0 332.271 4.020 20 30 EIEDRO C#CCC1([NH2+]C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CCC1 ZINC001183940598 1051921922 /nfs/dbraw/zinc/92/19/22/1051921922.db2.gz WOKMUAWXEAWIJR-INIZCTEOSA-N 1 0 336.520 4.242 20 30 EIEDRO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001184046065 1051943824 /nfs/dbraw/zinc/94/38/24/1051943824.db2.gz SGWPLNCCTZWWRH-ZLNRFVROSA-N 1 0 346.474 4.442 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC001176218276 1051960425 /nfs/dbraw/zinc/96/04/25/1051960425.db2.gz ORUAPLRUNWKTIH-OAQYLSRUSA-N 1 0 343.430 4.391 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2c(C#N)ccc3ccccc32)cc1 ZINC001176226436 1051965100 /nfs/dbraw/zinc/96/51/00/1051965100.db2.gz FAINPJADJCQIEI-UHFFFAOYSA-N 1 0 331.419 4.395 20 30 EIEDRO Cc1c(Cl)c(C#N)ccc1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001176228418 1051965697 /nfs/dbraw/zinc/96/56/97/1051965697.db2.gz LFYARJHUNNUOTP-UHFFFAOYSA-N 1 0 329.831 4.204 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(C)c1)c1ccccc1 ZINC000158831422 1052001338 /nfs/dbraw/zinc/00/13/38/1052001338.db2.gz AAWWQYFGLQLMEL-HXUWFJFHSA-N 1 0 332.451 4.373 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC001193859532 1052018094 /nfs/dbraw/zinc/01/80/94/1052018094.db2.gz KZFRJNBWBBNSCL-NRFANRHFSA-N 1 0 328.419 4.285 20 30 EIEDRO CC(C)(C#N)c1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC001176383376 1052026676 /nfs/dbraw/zinc/02/66/76/1052026676.db2.gz WRFVPHVJHXZHQM-UHFFFAOYSA-N 1 0 349.478 4.106 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165023835 1052049570 /nfs/dbraw/zinc/04/95/70/1052049570.db2.gz FRRZWBZVMSUNDQ-GOSISDBHSA-N 1 0 326.440 4.044 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000165760805 1052076822 /nfs/dbraw/zinc/07/68/22/1052076822.db2.gz VLVSXWWMXJSPKV-GOSISDBHSA-N 1 0 328.500 4.150 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1cc(F)ccc1C#N)c1cccc(OC)c1 ZINC001184681685 1052090131 /nfs/dbraw/zinc/09/01/31/1052090131.db2.gz STSJSSDOQPKZIH-HXUWFJFHSA-N 1 0 341.430 4.201 20 30 EIEDRO C#CCN(Cc1nc2cc(C(F)(F)F)ccc2o1)Cc1ccccc1 ZINC001194161710 1052092554 /nfs/dbraw/zinc/09/25/54/1052092554.db2.gz CGAMQUVQUDIDIB-UHFFFAOYSA-N 1 0 344.336 4.482 20 30 EIEDRO C[C@H](C[NH+]1CCCCC1)Nc1c(C#N)cnc2c(Cl)cccc21 ZINC001184803247 1052100888 /nfs/dbraw/zinc/10/08/88/1052100888.db2.gz RRUQRBWXIGYQBF-CYBMUJFWSA-N 1 0 328.847 4.046 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1F ZINC000774826487 1052162900 /nfs/dbraw/zinc/16/29/00/1052162900.db2.gz JMUSGWIUPGVKSE-GFCCVEGCSA-N 1 0 348.805 4.241 20 30 EIEDRO C#Cc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC001177117171 1052225682 /nfs/dbraw/zinc/22/56/82/1052225682.db2.gz KIDXFANKCKEZOI-FQEVSTJZSA-N 1 0 338.520 4.292 20 30 EIEDRO Cc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)ccc1C#N ZINC000774911021 1052279372 /nfs/dbraw/zinc/27/93/72/1052279372.db2.gz FAPPAKWVFYJTSW-UXHICEINSA-N 1 0 338.451 4.328 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)ccc1C#N ZINC000774914767 1052284206 /nfs/dbraw/zinc/28/42/06/1052284206.db2.gz RHVSBPFBHRZENJ-ROUUACIJSA-N 1 0 326.465 4.016 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000072898530 1052622128 /nfs/dbraw/zinc/62/21/28/1052622128.db2.gz CYTUFVVTTJIFIQ-UHFFFAOYSA-N 1 0 332.447 4.228 20 30 EIEDRO COc1cc(C[N@H+](C)CCCCC#N)ccc1OCc1ccccc1 ZINC000072982346 1052661381 /nfs/dbraw/zinc/66/13/81/1052661381.db2.gz UCGWMHHMEWOANZ-UHFFFAOYSA-N 1 0 338.451 4.400 20 30 EIEDRO C=CCc1cc(C[NH2+]CC(C)(C)C(F)(F)CC)cc(OC)c1O ZINC000623697105 1052712201 /nfs/dbraw/zinc/71/22/01/1052712201.db2.gz WASAXUFSSGWBHB-UHFFFAOYSA-N 1 0 327.415 4.290 20 30 EIEDRO C=C[C@@H](CC(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000179368819 1052732088 /nfs/dbraw/zinc/73/20/88/1052732088.db2.gz PSBQTBGOGLDCMD-IBGZPJMESA-N 1 0 348.490 4.259 20 30 EIEDRO C=CCC[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000180039448 1052775314 /nfs/dbraw/zinc/77/53/14/1052775314.db2.gz LAAHYEANXUBKAG-KRWDZBQOSA-N 1 0 339.464 4.245 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc2ccccc2c1O ZINC000185986292 1052841340 /nfs/dbraw/zinc/84/13/40/1052841340.db2.gz JUAZGNDFXURIES-OAHLLOKOSA-N 1 0 332.403 4.299 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623976997 1052845811 /nfs/dbraw/zinc/84/58/11/1052845811.db2.gz CMJHIUDGMKOSHU-WQGACYEGSA-N 1 0 331.353 4.476 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000624003752 1052851305 /nfs/dbraw/zinc/85/13/05/1052851305.db2.gz IEAZYPXQEXVWKV-RZAIGCCYSA-N 1 0 330.859 4.379 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000181986003 1052907085 /nfs/dbraw/zinc/90/70/85/1052907085.db2.gz REFHLQIGCXLGSF-AWEZNQCLSA-N 1 0 328.337 4.279 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000185242992 1053014593 /nfs/dbraw/zinc/01/45/93/1053014593.db2.gz ULFNSWIBKBQVOW-QGZVFWFLSA-N 1 0 332.451 4.379 20 30 EIEDRO COCCCN[NH+]=C(C)c1ccc2c(c1)Nc1ccccc1S2 ZINC000794542631 1053062999 /nfs/dbraw/zinc/06/29/99/1053062999.db2.gz RZJXQADQSZQUIL-UHFFFAOYSA-N 1 0 327.453 4.245 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(F)cc1F ZINC000119595794 1053068509 /nfs/dbraw/zinc/06/85/09/1053068509.db2.gz LUWOMZUCOJHEES-YJYMSZOUSA-N 1 0 330.378 4.497 20 30 EIEDRO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001194744606 1053077849 /nfs/dbraw/zinc/07/78/49/1053077849.db2.gz ISURGQNIYIDUBL-OXJNMPFZSA-N 1 0 335.451 4.291 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@H](O)c3cc4ccccc4s3)cc2)CC1 ZINC000850188773 1053084525 /nfs/dbraw/zinc/08/45/25/1053084525.db2.gz ZAQGUOJRNKIPNI-SFHVURJKSA-N 1 0 348.471 4.280 20 30 EIEDRO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000775610025 1053089449 /nfs/dbraw/zinc/08/94/49/1053089449.db2.gz JPSFBQKRXQZAES-NRFANRHFSA-N 1 0 336.479 4.352 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC001168531873 1053094161 /nfs/dbraw/zinc/09/41/61/1053094161.db2.gz UAPJCUGQOVUXON-FQEVSTJZSA-N 1 0 349.478 4.233 20 30 EIEDRO CCCCCCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764466352 1053119951 /nfs/dbraw/zinc/11/99/51/1053119951.db2.gz JJGXYWBUKCXXLB-NHCUHLMSSA-N 1 0 337.596 4.085 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000764479947 1053127894 /nfs/dbraw/zinc/12/78/94/1053127894.db2.gz OTIZMHDJLIXFCN-UHFFFAOYSA-N 1 0 343.858 4.008 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001194900563 1053150487 /nfs/dbraw/zinc/15/04/87/1053150487.db2.gz YDMZXPXFLXALOQ-SJORKVTESA-N 1 0 326.525 4.440 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@H](O)c1ccc(Cl)cc1 ZINC000850412257 1053181405 /nfs/dbraw/zinc/18/14/05/1053181405.db2.gz CIOQMAQWEXDXFO-IAGOWNOFSA-N 1 0 334.872 4.121 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)c1ccco1 ZINC000850488357 1053256458 /nfs/dbraw/zinc/25/64/58/1053256458.db2.gz MJAFSTMFAYKZCT-QFBILLFUSA-N 1 0 326.440 4.164 20 30 EIEDRO CCC[N@H+](C)[C@@H](C/N=C/c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000794679816 1053259572 /nfs/dbraw/zinc/25/95/72/1053259572.db2.gz JFFBEIOZFNOLFI-RHLNUJDMSA-N 1 0 346.858 4.253 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC001195094590 1053271934 /nfs/dbraw/zinc/27/19/34/1053271934.db2.gz STIYKXWLHVOEHY-QGZVFWFLSA-N 1 0 339.426 4.276 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cc1 ZINC000850534641 1053298336 /nfs/dbraw/zinc/29/83/36/1053298336.db2.gz LHOFLSKPRWHEDN-CQSZACIVSA-N 1 0 345.874 4.280 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000850568278 1053323432 /nfs/dbraw/zinc/32/34/32/1053323432.db2.gz UNWNQPDWOOFSRB-FQEVSTJZSA-N 1 0 340.467 4.038 20 30 EIEDRO CC(C)[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850572852 1053327136 /nfs/dbraw/zinc/32/71/36/1053327136.db2.gz HBIQSDYVWCTYCJ-YBXZHIRMSA-N 1 0 334.891 4.460 20 30 EIEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001195277095 1053354768 /nfs/dbraw/zinc/35/47/68/1053354768.db2.gz DUYUGURMEQWQHA-RDJZCZTQSA-N 1 0 347.890 4.297 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)cc1 ZINC001195279962 1053357500 /nfs/dbraw/zinc/35/75/00/1053357500.db2.gz QJXAFPPQYKUVNI-MOPGFXCFSA-N 1 0 326.484 4.143 20 30 EIEDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001195289590 1053364841 /nfs/dbraw/zinc/36/48/41/1053364841.db2.gz PKPSUHWTODXSLB-HXUWFJFHSA-N 1 0 326.390 4.434 20 30 EIEDRO Cc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1F ZINC001195368267 1053384557 /nfs/dbraw/zinc/38/45/57/1053384557.db2.gz RAKGKZIBLGDGFT-OAHLLOKOSA-N 1 0 339.414 4.027 20 30 EIEDRO CCc1ccc2c(CN(CCC#N)CC(C)(C)C)cc(=O)oc2c1 ZINC000109812025 1053432818 /nfs/dbraw/zinc/43/28/18/1053432818.db2.gz RLXSANRNXIBAMC-UHFFFAOYSA-N 1 0 326.440 4.117 20 30 EIEDRO Cc1cc(OC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000765092541 1053436978 /nfs/dbraw/zinc/43/69/78/1053436978.db2.gz YVSUKFMRZOXQEF-UHFFFAOYSA-N 1 0 348.446 4.074 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2OCCCC)cc1 ZINC000765331513 1053511421 /nfs/dbraw/zinc/51/14/21/1053511421.db2.gz DIKOENLJNKRRBD-QGZVFWFLSA-N 1 0 338.451 4.123 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccnc(Cl)c1 ZINC000765358213 1053513394 /nfs/dbraw/zinc/51/33/94/1053513394.db2.gz FBDCHGIXIDVCNQ-CYBMUJFWSA-N 1 0 331.872 4.191 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cc1 ZINC000765359996 1053514599 /nfs/dbraw/zinc/51/45/99/1053514599.db2.gz JQKXBNVUQBHMHN-IFXJQAMLSA-N 1 0 349.833 4.341 20 30 EIEDRO N#Cc1ccc(CC[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000851808550 1053522000 /nfs/dbraw/zinc/52/20/00/1053522000.db2.gz IKCJUCOSWROACB-WOJBJXKFSA-N 1 0 338.451 4.062 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000765402901 1053533572 /nfs/dbraw/zinc/53/35/72/1053533572.db2.gz YFAAYYWIYHIXTJ-CQSZACIVSA-N 1 0 344.252 4.312 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+](Cc2ccsc2)C(C)(C)C)cc1 ZINC001196020460 1053559528 /nfs/dbraw/zinc/55/95/28/1053559528.db2.gz CIVJFVUWUKCFEY-UHFFFAOYSA-N 1 0 340.492 4.359 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc3cnccc3o2)cc1OC ZINC000865851595 1053608340 /nfs/dbraw/zinc/60/83/40/1053608340.db2.gz IDTUNKRFTUTHPG-CQSZACIVSA-N 1 0 338.407 4.252 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cc2cnccc2o1 ZINC000865855270 1053610724 /nfs/dbraw/zinc/61/07/24/1053610724.db2.gz XEDATXKBICCBSI-HNNXBMFYSA-N 1 0 346.434 4.019 20 30 EIEDRO C=CCOCC[N@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001196312359 1053629304 /nfs/dbraw/zinc/62/93/04/1053629304.db2.gz NGMLVIJQSBEZOA-QGZVFWFLSA-N 1 0 327.390 4.305 20 30 EIEDRO CCCC[NH+](CCCC)CCCNC(=S)Nc1ccccc1C#N ZINC001196336140 1053641986 /nfs/dbraw/zinc/64/19/86/1053641986.db2.gz NLEMLULSUKVKGJ-UHFFFAOYSA-N 1 0 346.544 4.137 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853094296 1053642906 /nfs/dbraw/zinc/64/29/06/1053642906.db2.gz APTUSFYPQHEARQ-HZPDHXFCSA-N 1 0 336.435 4.153 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](CC)c1cccc(OC)c1OC)c1ccncc1 ZINC000866268516 1053669464 /nfs/dbraw/zinc/66/94/64/1053669464.db2.gz XESLBVPQJRMFOL-QZTJIDSGSA-N 1 0 326.440 4.457 20 30 EIEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000853604276 1053689124 /nfs/dbraw/zinc/68/91/24/1053689124.db2.gz APCLPLOBQGDDPU-FQEVSTJZSA-N 1 0 349.482 4.127 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cc2cnccc2o1 ZINC000866449503 1053733363 /nfs/dbraw/zinc/73/33/63/1053733363.db2.gz WSKUOOASGIMRQO-OAHLLOKOSA-N 1 0 346.434 4.019 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000866448659 1053733919 /nfs/dbraw/zinc/73/39/19/1053733919.db2.gz ITXYJZLDIHZVGQ-JOCHJYFZSA-N 1 0 346.478 4.053 20 30 EIEDRO CC(C)C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccncc1 ZINC000866449488 1053734234 /nfs/dbraw/zinc/73/42/34/1053734234.db2.gz WLBXCJKOCFNSOH-OAQYLSRUSA-N 1 0 348.494 4.299 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cccc(OC)c1OC ZINC000866507759 1053754746 /nfs/dbraw/zinc/75/47/46/1053754746.db2.gz HIMHZIYFOSHXHF-RTBURBONSA-N 1 0 336.435 4.304 20 30 EIEDRO C[N@H+](CCCCOc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC001196827873 1053783526 /nfs/dbraw/zinc/78/35/26/1053783526.db2.gz BTMYPFPNOIOVRY-PBHICJAKSA-N 1 0 340.389 4.488 20 30 EIEDRO C[C@H]([NH2+][C@@H](Cc1cccnc1)C1CCCC1)c1ccc(OCC#N)cc1 ZINC000866609347 1053802673 /nfs/dbraw/zinc/80/26/73/1053802673.db2.gz LYKMOORNPHHMIM-JTSKRJEESA-N 1 0 349.478 4.436 20 30 EIEDRO C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)[C@H](C)c1nc2ccccc2s1 ZINC000866617165 1053807834 /nfs/dbraw/zinc/80/78/34/1053807834.db2.gz FYUZZKXCLWRZFS-DEYYWGMASA-N 1 0 347.487 4.417 20 30 EIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866617101 1053807852 /nfs/dbraw/zinc/80/78/52/1053807852.db2.gz DYJOJYRCXHCOPW-SJKOYZFVSA-N 1 0 325.481 4.265 20 30 EIEDRO C=CC[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccncc1 ZINC000765612708 1053810913 /nfs/dbraw/zinc/81/09/13/1053810913.db2.gz JIJQRILDPLWBHM-LJQANCHMSA-N 1 0 338.451 4.444 20 30 EIEDRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)C2)cc1 ZINC000776740325 1053818350 /nfs/dbraw/zinc/81/83/50/1053818350.db2.gz KFCMEIFLJOFJSE-LPHOPBHVSA-N 1 0 337.442 4.325 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000552271053 1053845476 /nfs/dbraw/zinc/84/54/76/1053845476.db2.gz PKGZEMXPUHLLRH-IOMROCGXSA-N 1 0 338.426 4.138 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)ccc1F ZINC000121778836 1053847204 /nfs/dbraw/zinc/84/72/04/1053847204.db2.gz LLSPOUMBOVUFHF-HKUYNNGSSA-N 1 0 342.414 4.159 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000113317313 1053916602 /nfs/dbraw/zinc/91/66/02/1053916602.db2.gz WTONIKQASMRAMT-AWEZNQCLSA-N 1 0 331.362 4.151 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000113315384 1053917312 /nfs/dbraw/zinc/91/73/12/1053917312.db2.gz BHCXELWMTONJGS-HNNXBMFYSA-N 1 0 327.399 4.087 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2)ccc1OC ZINC000113308825 1053918323 /nfs/dbraw/zinc/91/83/23/1053918323.db2.gz GTTWPFVREAYEKU-KSSFIOAISA-N 1 0 342.414 4.366 20 30 EIEDRO C#CCCCCC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000855469884 1053928387 /nfs/dbraw/zinc/92/83/87/1053928387.db2.gz VXWZTQDJICFZPY-UHFFFAOYSA-N 1 0 341.480 4.023 20 30 EIEDRO CC1([NH+]2CCCCC2)CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC001197581943 1053948077 /nfs/dbraw/zinc/94/80/77/1053948077.db2.gz DLQDRJVJXNCDBJ-UHFFFAOYSA-N 1 0 331.891 4.052 20 30 EIEDRO CC#CC[N@@H+]1CCC[C@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001197587692 1053948664 /nfs/dbraw/zinc/94/86/64/1053948664.db2.gz DDQXAZYESCCPLU-MJGOQNOKSA-N 1 0 348.531 4.195 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cc(F)cc(Br)c1 ZINC000339091777 1054008970 /nfs/dbraw/zinc/00/89/70/1054008970.db2.gz TVBWAFLSOWQTKL-KMUNFCNLSA-N 1 0 325.225 4.321 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(SC)cc2)c1 ZINC000113960777 1054033823 /nfs/dbraw/zinc/03/38/23/1054033823.db2.gz SOTVSWQNHUFGCV-KRWDZBQOSA-N 1 0 326.465 4.379 20 30 EIEDRO CC1(C)[C@@H](c2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001198026444 1054059387 /nfs/dbraw/zinc/05/93/87/1054059387.db2.gz GRJROAGAJYYARC-OAHLLOKOSA-N 1 0 345.368 4.139 20 30 EIEDRO N#CCCOCC[N@@H+]1CCC[C@@H](Cc2csc3ccccc23)C1 ZINC000339098802 1054066599 /nfs/dbraw/zinc/06/65/99/1054066599.db2.gz SPQVETDVOVMJGA-INIZCTEOSA-N 1 0 328.481 4.086 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(c3ccc(F)cc3F)CC2)cc1 ZINC000123214125 1054117562 /nfs/dbraw/zinc/11/75/62/1054117562.db2.gz UYQQERSHCKVDMZ-CQSZACIVSA-N 1 0 342.389 4.077 20 30 EIEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC001198406013 1054138392 /nfs/dbraw/zinc/13/83/92/1054138392.db2.gz CYGAHOUJOQFFDE-CQSZACIVSA-N 1 0 336.863 4.026 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)cc1 ZINC000123456453 1054149430 /nfs/dbraw/zinc/14/94/30/1054149430.db2.gz XIVKACYOGMYCSW-HXUWFJFHSA-N 1 0 348.471 4.356 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000123663548 1054219682 /nfs/dbraw/zinc/21/96/82/1054219682.db2.gz HTBZLAVXDFUQIF-HNAYVOBHSA-N 1 0 331.843 4.202 20 30 EIEDRO C=CCCCC[N@@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198837697 1054286957 /nfs/dbraw/zinc/28/69/57/1054286957.db2.gz PMBHOUFJYKGRQR-FXAWDEMLSA-N 1 0 336.520 4.360 20 30 EIEDRO CC[NH+](CC)[C@H](CNCc1ccc(C(C)(C)C#N)cc1)CC(C)C ZINC001199162044 1054356868 /nfs/dbraw/zinc/35/68/68/1054356868.db2.gz NXZQILUBGXPIBF-FQEVSTJZSA-N 1 0 329.532 4.334 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]CC(C)(C)CCC#N)CCCC2 ZINC000872070699 1054375927 /nfs/dbraw/zinc/37/59/27/1054375927.db2.gz HBQNVAQHZXFBHE-KRWDZBQOSA-N 1 0 330.472 4.391 20 30 EIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858019025 1054401787 /nfs/dbraw/zinc/40/17/87/1054401787.db2.gz FBKATEAXHDZBLO-SFHVURJKSA-N 1 0 327.472 4.132 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)c2nccnc2C)cc1 ZINC000872135584 1054409586 /nfs/dbraw/zinc/40/95/86/1054409586.db2.gz WZVUQPIODHLCHZ-DZGCQCFKSA-N 1 0 331.847 4.328 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000872140506 1054412993 /nfs/dbraw/zinc/41/29/93/1054412993.db2.gz POZMHOHSSMSPKO-BZSNNMDCSA-N 1 0 326.484 4.309 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc3cc[nH]c3c2)ccc1OC ZINC000858136107 1054421695 /nfs/dbraw/zinc/42/16/95/1054421695.db2.gz IKRTWZLEBDKLDC-GOSISDBHSA-N 1 0 349.434 4.147 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279630 1054432332 /nfs/dbraw/zinc/43/23/32/1054432332.db2.gz GFWAGFVQWURUNS-IBGZPJMESA-N 1 0 326.484 4.411 20 30 EIEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776014457 1054439573 /nfs/dbraw/zinc/43/95/73/1054439573.db2.gz RTFXJXFOCHCEII-PBHICJAKSA-N 1 0 325.374 4.252 20 30 EIEDRO CN(C)c1ccc(C2CC[NH+](Cc3cc(C#N)cs3)CC2)cc1 ZINC000776013858 1054445906 /nfs/dbraw/zinc/44/59/06/1054445906.db2.gz JIVRZVOOIOZAEZ-UHFFFAOYSA-N 1 0 325.481 4.065 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)C1 ZINC001199743069 1054459702 /nfs/dbraw/zinc/45/97/02/1054459702.db2.gz QALQBLFLUKSUNH-RBUKOAKNSA-N 1 0 343.511 4.386 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)Cc2cccc(Br)c2)cc1 ZINC001199905874 1054487516 /nfs/dbraw/zinc/48/75/16/1054487516.db2.gz DSBJVJVUWBIMSE-CQSZACIVSA-N 1 0 328.253 4.151 20 30 EIEDRO C=CCC1([NH2+]Cc2cc(Br)c(C)s2)CCOCC1 ZINC000873137242 1054490220 /nfs/dbraw/zinc/49/02/20/1054490220.db2.gz SJDODVBIHHMMNS-UHFFFAOYSA-N 1 0 330.291 4.034 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000873198556 1054506554 /nfs/dbraw/zinc/50/65/54/1054506554.db2.gz POVQJDNWTPJNBP-WKILWMFISA-N 1 0 326.465 4.004 20 30 EIEDRO COc1ccccc1CC(C)(C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000105494944 1054530280 /nfs/dbraw/zinc/53/02/80/1054530280.db2.gz NKGVXZSKXPNLPJ-INIZCTEOSA-N 1 0 338.451 4.097 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000124545305 1054542949 /nfs/dbraw/zinc/54/29/49/1054542949.db2.gz SKPJYNHRSHZXMV-INIZCTEOSA-N 1 0 336.435 4.063 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000124969485 1054655013 /nfs/dbraw/zinc/65/50/13/1054655013.db2.gz VQYYJPLSYJUKCK-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO C=C(C)COCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC001201372249 1054765211 /nfs/dbraw/zinc/76/52/11/1054765211.db2.gz FQPQVZALVHLHRF-UHFFFAOYSA-N 1 0 329.415 4.087 20 30 EIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000776172528 1054802250 /nfs/dbraw/zinc/80/22/50/1054802250.db2.gz ZPYHYIJTWLCDGU-IFXJQAMLSA-N 1 0 344.842 4.281 20 30 EIEDRO CC(C)Nc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC001201487500 1054817274 /nfs/dbraw/zinc/81/72/74/1054817274.db2.gz JDRFYSLOYPJFDE-UHFFFAOYSA-N 1 0 326.469 4.172 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C2(C)Cc3ccccc3C2)ccc1OC ZINC001201512701 1054826133 /nfs/dbraw/zinc/82/61/33/1054826133.db2.gz UKHWMZQDEAKTMH-UHFFFAOYSA-N 1 0 337.463 4.297 20 30 EIEDRO CC(C)([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000125702672 1054842410 /nfs/dbraw/zinc/84/24/10/1054842410.db2.gz IVXXDEYJNOGTBV-KRWDZBQOSA-N 1 0 349.261 4.423 20 30 EIEDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCOCCC#N)C1 ZINC000339021599 1054881590 /nfs/dbraw/zinc/88/15/90/1054881590.db2.gz BZBAVQMTDAGQOW-CZUORRHYSA-N 1 0 326.362 4.019 20 30 EIEDRO CCCCCCCC[N@@H+]1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001201804387 1054910707 /nfs/dbraw/zinc/91/07/07/1054910707.db2.gz JFAMNULJSMGXNK-UHFFFAOYSA-N 1 0 334.552 4.244 20 30 EIEDRO CCCCCCCC[N@@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001201814193 1054910964 /nfs/dbraw/zinc/91/09/64/1054910964.db2.gz MTRLJXUULSZPRK-UHFFFAOYSA-N 1 0 338.499 4.300 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001201814599 1054912835 /nfs/dbraw/zinc/91/28/35/1054912835.db2.gz QISMXDPBSCGTPW-WOJBJXKFSA-N 1 0 343.515 4.007 20 30 EIEDRO CCCCCCCC[N@H+]1Cc2nn(C)cc2[C@@H](COCC2CC2)C1 ZINC001201815184 1054916160 /nfs/dbraw/zinc/91/61/60/1054916160.db2.gz YMVCDIWIXOXHME-GOSISDBHSA-N 1 0 333.520 4.106 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001201846959 1054934226 /nfs/dbraw/zinc/93/42/26/1054934226.db2.gz QERFSQXQWMXYOA-RTWAWAEBSA-N 1 0 346.515 4.444 20 30 EIEDRO CCCCCCCCC[N@@H+]1CCCn2c(Cn3cccc3)nnc2C1 ZINC001201847288 1054934254 /nfs/dbraw/zinc/93/42/54/1054934254.db2.gz UOLICHVUEHUHRB-UHFFFAOYSA-N 1 0 343.519 4.084 20 30 EIEDRO CCCCCCCCC[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001201847001 1054934574 /nfs/dbraw/zinc/93/45/74/1054934574.db2.gz QSIVTFXSRACVAO-LDLYASANSA-N 1 0 334.548 4.364 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC000876630327 1054938998 /nfs/dbraw/zinc/93/89/98/1054938998.db2.gz XFIHGSLMSQHAHC-JSGCOSHPSA-N 1 0 326.893 4.294 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000876807524 1054957824 /nfs/dbraw/zinc/95/78/24/1054957824.db2.gz GCMPNQJGYGWEJS-APWZRJJASA-N 1 0 328.481 4.224 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC001202010453 1054978843 /nfs/dbraw/zinc/97/88/43/1054978843.db2.gz MRUWMNUVYPIFTJ-MRXNPFEDSA-N 1 0 347.886 4.324 20 30 EIEDRO CC(C)(C)c1ccc(N2CCC([NH2+]Cc3cccc(C#N)n3)CC2)cc1 ZINC000876964114 1054988625 /nfs/dbraw/zinc/98/86/25/1054988625.db2.gz SMTANPDYTFEDOF-UHFFFAOYSA-N 1 0 348.494 4.009 20 30 EIEDRO CCCCCCCOc1cccc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000777220498 1054994017 /nfs/dbraw/zinc/99/40/17/1054994017.db2.gz IRBDDAOXDGJECA-IBGZPJMESA-N 1 0 342.487 4.074 20 30 EIEDRO C#CCCCCCC[NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000877033121 1055004280 /nfs/dbraw/zinc/00/42/80/1055004280.db2.gz XAZOPFULAVBFNF-QGZVFWFLSA-N 1 0 346.490 4.021 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc3ccccc3n2C)c1 ZINC000877047160 1055005128 /nfs/dbraw/zinc/00/51/28/1055005128.db2.gz YMDMOQAONOFIDQ-IBGZPJMESA-N 1 0 333.435 4.149 20 30 EIEDRO C#CCCCCCC[NH2+][C@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000877148780 1055028873 /nfs/dbraw/zinc/02/88/73/1055028873.db2.gz VCMNELCJVPNBKE-KRWDZBQOSA-N 1 0 326.444 4.002 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1c(C(C)C)nc2sc(C)nn21)c1ccccc1 ZINC000776251880 1055057520 /nfs/dbraw/zinc/05/75/20/1055057520.db2.gz ACDJQUYVQMPXMN-MRXNPFEDSA-N 1 0 338.480 4.077 20 30 EIEDRO CCCOc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000777260630 1055077638 /nfs/dbraw/zinc/07/76/38/1055077638.db2.gz HYHKGLJQYYJAMA-UHFFFAOYSA-N 1 0 349.478 4.424 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC001202193941 1055080820 /nfs/dbraw/zinc/08/08/20/1055080820.db2.gz LDGAPZDSTKBWED-IFMALSPDSA-N 1 0 337.463 4.336 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]CC(C)(C)CC#N)CC[C@@H]21 ZINC000877584374 1055085857 /nfs/dbraw/zinc/08/58/57/1055085857.db2.gz QIDPEGGXMWJJJG-ZACQAIPSSA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@H]1CC[N@H+](CCOCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339045550 1055113065 /nfs/dbraw/zinc/11/30/65/1055113065.db2.gz UVHSTENFIIFPDQ-XJKSGUPXSA-N 1 0 326.362 4.019 20 30 EIEDRO CC[C@@H](C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000173497394 1055144163 /nfs/dbraw/zinc/14/41/63/1055144163.db2.gz NKTDJKMPKBGNKE-MRXNPFEDSA-N 1 0 346.434 4.409 20 30 EIEDRO CCC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877900903 1055147886 /nfs/dbraw/zinc/14/78/86/1055147886.db2.gz YCNLHFVYQNNYRQ-JOCHJYFZSA-N 1 0 334.463 4.339 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902893 1055149808 /nfs/dbraw/zinc/14/98/08/1055149808.db2.gz HVKCIQFAWDGFHB-XZOQPEGZSA-N 1 0 346.474 4.436 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC001202408370 1055159881 /nfs/dbraw/zinc/15/98/81/1055159881.db2.gz PZVYSPFVQSJZRJ-UHFFFAOYSA-N 1 0 332.463 4.031 20 30 EIEDRO CCc1oc2ccccc2c1C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000126908052 1055188010 /nfs/dbraw/zinc/18/80/10/1055188010.db2.gz BSDYCCKEHNHDFM-IBGZPJMESA-N 1 0 334.419 4.032 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000878120780 1055192083 /nfs/dbraw/zinc/19/20/83/1055192083.db2.gz PGLSVHYKFCWZOH-AUSIDOKSSA-N 1 0 348.490 4.299 20 30 EIEDRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCCOc2ccc(C#N)cc2)s1 ZINC000106874926 1055196679 /nfs/dbraw/zinc/19/66/79/1055196679.db2.gz XGMXYSYCZMTBGH-CQSZACIVSA-N 1 0 329.469 4.094 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000126943695 1055197787 /nfs/dbraw/zinc/19/77/87/1055197787.db2.gz FYYAAJYORZLXTR-VQIMIIECSA-N 1 0 338.426 4.181 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000878166003 1055197849 /nfs/dbraw/zinc/19/78/49/1055197849.db2.gz JFYIFDAHMHSTAO-ZPMCFJSWSA-N 1 0 332.447 4.120 20 30 EIEDRO C#CCCCCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000878249998 1055220793 /nfs/dbraw/zinc/22/07/93/1055220793.db2.gz WOODZFZICQFTKK-MRXNPFEDSA-N 1 0 325.456 4.130 20 30 EIEDRO COc1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCc4c3cccc4C#N)CCO2)cc1 ZINC001168606363 1055225840 /nfs/dbraw/zinc/22/58/40/1055225840.db2.gz GBAJNCBIZVNEEE-YHYVQYDKSA-N 1 0 348.446 4.064 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000112515237 1055231420 /nfs/dbraw/zinc/23/14/20/1055231420.db2.gz BGYPESRPBYKHOF-HOTGVXAUSA-N 1 0 328.481 4.002 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000878353338 1055258304 /nfs/dbraw/zinc/25/83/04/1055258304.db2.gz WLPIMMRAWUHYKY-JKSUJKDBSA-N 1 0 326.440 4.284 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccc(F)cc1C)c1ccccc1 ZINC000878506253 1055325120 /nfs/dbraw/zinc/32/51/20/1055325120.db2.gz GRXMQRHGLFYJSW-OAQYLSRUSA-N 1 0 338.426 4.007 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2COC)ccc1OC ZINC000127271044 1055369794 /nfs/dbraw/zinc/36/97/94/1055369794.db2.gz WBBDBLLSVWUTST-UHFFFAOYSA-N 1 0 341.451 4.086 20 30 EIEDRO C=CCCC[C@@H](C(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccccc1 ZINC000878687746 1055373888 /nfs/dbraw/zinc/37/38/88/1055373888.db2.gz SRMMUOOPKCHRRH-RBUKOAKNSA-N 1 0 337.467 4.256 20 30 EIEDRO Cc1nc(-c2ccc(NC(=O)[C@]3(C#N)CC4CCC3CC4)cc2)[nH]c1C ZINC000921667181 1055520816 /nfs/dbraw/zinc/52/08/16/1055520816.db2.gz DAKRBCBIFHJKNZ-GRXDXKALSA-N 1 0 348.450 4.352 20 30 EIEDRO CCC[N@H+](C)[C@@H](CNc1cnccc1C#N)c1ccc(Cl)cc1 ZINC000553580081 1055557558 /nfs/dbraw/zinc/55/75/58/1055557558.db2.gz HOUNODQGGTZXCH-SFHVURJKSA-N 1 0 328.847 4.102 20 30 EIEDRO CCC[N@H+](C)[C@H](CNc1cnccc1C#N)c1ccc(Cl)cc1 ZINC000553580080 1055559179 /nfs/dbraw/zinc/55/91/79/1055559179.db2.gz HOUNODQGGTZXCH-GOSISDBHSA-N 1 0 328.847 4.102 20 30 EIEDRO Cc1cncc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000123002347 1055591033 /nfs/dbraw/zinc/59/10/33/1055591033.db2.gz ROODOKZLLVJDPX-UHFFFAOYSA-N 1 0 343.430 4.131 20 30 EIEDRO C=CCC1(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CCCC1 ZINC001128061896 1055705819 /nfs/dbraw/zinc/70/58/19/1055705819.db2.gz ZKVGQDKLWQUSBZ-HKUYNNGSSA-N 1 0 328.500 4.239 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc4occc4c3)CC2)c1 ZINC000347636655 1055748441 /nfs/dbraw/zinc/74/84/41/1055748441.db2.gz JWHGTJSFEFYXBH-UHFFFAOYSA-N 1 0 332.403 4.348 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186434101 1055822863 /nfs/dbraw/zinc/82/28/63/1055822863.db2.gz IEFSPKXMDSRHGJ-KDOFPFPSSA-N 1 0 348.368 4.413 20 30 EIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2ncccc2C#N)C1 ZINC000301098918 1055895266 /nfs/dbraw/zinc/89/52/66/1055895266.db2.gz NMTUSVXPMJZSIU-CALCHBBNSA-N 1 0 334.467 4.043 20 30 EIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2ccc(C#N)cn2)C1 ZINC000301112991 1055896581 /nfs/dbraw/zinc/89/65/81/1055896581.db2.gz SOPGOCAEQTWMDJ-IRXDYDNUSA-N 1 0 334.467 4.043 20 30 EIEDRO N#Cc1nc(NC2CC[NH+](CC3CCCCC3)CC2)ccc1Cl ZINC000301172796 1055902986 /nfs/dbraw/zinc/90/29/86/1055902986.db2.gz KXMVHIMOYWOOKU-UHFFFAOYSA-N 1 0 332.879 4.063 20 30 EIEDRO CC[NH+](CC)Cc1ccc(CNc2ccc(Cl)c(C#N)n2)cc1 ZINC000301197562 1055907683 /nfs/dbraw/zinc/90/76/83/1055907683.db2.gz KQHCVPVAVBCHFU-UHFFFAOYSA-N 1 0 328.847 4.061 20 30 EIEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(Cl)c(C#N)n2)[C@H]1c1cccs1 ZINC000301399962 1055932175 /nfs/dbraw/zinc/93/21/75/1055932175.db2.gz BKDXCVPGLWLSCE-SJCJKPOMSA-N 1 0 346.887 4.163 20 30 EIEDRO N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000301749539 1055977841 /nfs/dbraw/zinc/97/78/41/1055977841.db2.gz ADQLIHUPVFYCBG-KBXCAEBGSA-N 1 0 349.400 4.030 20 30 EIEDRO CCCC[N@H+](C)CC1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301811521 1055987585 /nfs/dbraw/zinc/98/75/85/1055987585.db2.gz HCOXOPSWHNCHPX-UHFFFAOYSA-N 1 0 336.483 4.055 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000302111344 1056019297 /nfs/dbraw/zinc/01/92/97/1056019297.db2.gz POMHURHUFDCUOM-MRXNPFEDSA-N 1 0 347.462 4.398 20 30 EIEDRO N#Cc1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1C(F)(F)F ZINC000302190687 1056027502 /nfs/dbraw/zinc/02/75/02/1056027502.db2.gz KYBZKYCOPULBMU-MRXNPFEDSA-N 1 0 337.389 4.032 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3c(C#N)cccc3C#N)cc2)C1 ZINC000302824345 1056077626 /nfs/dbraw/zinc/07/76/26/1056077626.db2.gz GGOKNEBQHHZJMX-QGZVFWFLSA-N 1 0 344.462 4.274 20 30 EIEDRO N#Cc1ccccc1OCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000108719246 1056101294 /nfs/dbraw/zinc/10/12/94/1056101294.db2.gz UIWRMTFKBKLGFY-UHFFFAOYSA-N 1 0 345.446 4.298 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000091436978 1056134272 /nfs/dbraw/zinc/13/42/72/1056134272.db2.gz JDJJJLWZAJKOJF-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2csc(C#N)c2)ccn1 ZINC000921722253 1056144525 /nfs/dbraw/zinc/14/45/25/1056144525.db2.gz ISNQEZCLNPNJFY-CQSZACIVSA-N 1 0 329.469 4.118 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000765907025 1056152998 /nfs/dbraw/zinc/15/29/98/1056152998.db2.gz HYFCMFOVBOZQAN-QGZVFWFLSA-N 1 0 333.435 4.288 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@H](SC)C2)ccc1OC ZINC000921737397 1056257866 /nfs/dbraw/zinc/25/78/66/1056257866.db2.gz GVGHYSLAGQFXTG-BBWFWOEESA-N 1 0 348.512 4.140 20 30 EIEDRO C=C(C)C[N@@H+](CC)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000057847829 1056381994 /nfs/dbraw/zinc/38/19/94/1056381994.db2.gz XVKLUGYLANMFCP-GFCCVEGCSA-N 1 0 329.271 4.069 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)cc1C#N ZINC000072742499 1056465457 /nfs/dbraw/zinc/46/54/57/1056465457.db2.gz HCAGTKZLHTVBCI-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000921760919 1056466738 /nfs/dbraw/zinc/46/67/38/1056466738.db2.gz UKLJBWASCZKVOE-UHFFFAOYSA-N 1 0 348.475 4.026 20 30 EIEDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCCCC1 ZINC000765926087 1056550370 /nfs/dbraw/zinc/55/03/70/1056550370.db2.gz KNXDIKKBRAFULH-IRXDYDNUSA-N 1 0 349.519 4.276 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1F ZINC000305815006 1056625320 /nfs/dbraw/zinc/62/53/20/1056625320.db2.gz LPVVWCKYLOIOBP-DNVCBOLYSA-N 1 0 340.442 4.150 20 30 EIEDRO N#CCCCC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000338735746 1056656563 /nfs/dbraw/zinc/65/65/63/1056656563.db2.gz GDJHJRWURSGESU-UHFFFAOYSA-N 1 0 325.225 4.246 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1 ZINC000741338828 1058196584 /nfs/dbraw/zinc/19/65/84/1058196584.db2.gz SUBSQWLPBZZTIC-UHFFFAOYSA-N 1 0 336.435 4.147 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)cc1C#N ZINC000742370489 1058596378 /nfs/dbraw/zinc/59/63/78/1058596378.db2.gz WXTUUHQBGHAHMF-UHFFFAOYSA-N 1 0 333.435 4.263 20 30 EIEDRO CO[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(Cl)cc1 ZINC000742378013 1058602207 /nfs/dbraw/zinc/60/22/07/1058602207.db2.gz TTYPYEXZHXLUIS-AUUYWEPGSA-N 1 0 344.842 4.108 20 30 EIEDRO C#CCOc1ccc(Br)cc1C[NH2+]CCCCC1CC1 ZINC000716344245 1058741714 /nfs/dbraw/zinc/74/17/14/1058741714.db2.gz QURPUNQRMJSFID-UHFFFAOYSA-N 1 0 336.273 4.131 20 30 EIEDRO CCCCCCCC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000742964096 1058822829 /nfs/dbraw/zinc/82/28/29/1058822829.db2.gz XHLJZPSGEYAULX-LJQANCHMSA-N 1 0 330.516 4.470 20 30 EIEDRO CCc1ccc2c(C[NH2+][C@@H](C)c3cccc(C#N)c3)cc(=O)oc2c1 ZINC000743493177 1059031276 /nfs/dbraw/zinc/03/12/76/1059031276.db2.gz ZZVSKOWAQBGVFT-AWEZNQCLSA-N 1 0 332.403 4.078 20 30 EIEDRO Cc1ccc2c(C[NH2+][C@H](C)c3cccc(C#N)c3)cc(=O)oc2c1C ZINC000743490626 1059032943 /nfs/dbraw/zinc/03/29/43/1059032943.db2.gz KSMJQENYPPMDFH-OAHLLOKOSA-N 1 0 332.403 4.132 20 30 EIEDRO C[N@H+](CCCCc1ccccc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744139619 1059287271 /nfs/dbraw/zinc/28/72/71/1059287271.db2.gz GKFHBNVVYXBTBM-UHFFFAOYSA-N 1 0 344.462 4.334 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000744447558 1059524491 /nfs/dbraw/zinc/52/44/91/1059524491.db2.gz LLRINNDPUPXQFV-YJYMSZOUSA-N 1 0 349.833 4.256 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745707311 1059880474 /nfs/dbraw/zinc/88/04/74/1059880474.db2.gz ZLYAYXZHPUXNGX-BZSNNMDCSA-N 1 0 325.541 4.107 20 30 EIEDRO CCCCCCCCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000746295906 1060083346 /nfs/dbraw/zinc/08/33/46/1060083346.db2.gz OULGYTKWSMCLCP-UHFFFAOYSA-N 1 0 330.516 4.175 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccncc2)cc1 ZINC000766487109 1060391851 /nfs/dbraw/zinc/39/18/51/1060391851.db2.gz CQGUZABCVFHKMV-HOTGVXAUSA-N 1 0 330.859 4.495 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001168839712 1060449152 /nfs/dbraw/zinc/44/91/52/1060449152.db2.gz NBZCVVDXPJXTLX-CGTJXYLNSA-N 1 0 330.472 4.291 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cccc4ncccc34)CC2)cc1 ZINC001168872903 1060497863 /nfs/dbraw/zinc/49/78/63/1060497863.db2.gz KRPBISQUMFWAOA-UHFFFAOYSA-N 1 0 325.415 4.396 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 ZINC000766598888 1060649243 /nfs/dbraw/zinc/64/92/43/1060649243.db2.gz HMXSVJWGCDKLBT-PIKADFDJSA-N 1 0 335.875 4.426 20 30 EIEDRO CC1(C)C[C@@H](Nc2ncc(C#N)c3ccsc32)C[C@@](C)(C[NH3+])C1 ZINC001169146684 1060665847 /nfs/dbraw/zinc/66/58/47/1060665847.db2.gz RTSIFMRATGYFSN-FZKQIMNGSA-N 1 0 328.485 4.124 20 30 EIEDRO CC1(C)C[C@H](Nc2c(F)c(F)c(C#N)c(F)c2F)C[C@](C)(C[NH3+])C1 ZINC001169151926 1060670734 /nfs/dbraw/zinc/67/07/34/1060670734.db2.gz NMLRXJQMSGBBKT-XYZCENFISA-N 1 0 343.368 4.070 20 30 EIEDRO CC1(C)C[C@@H](Nc2c(F)c(F)c(C#N)c(F)c2F)C[C@@](C)(C[NH3+])C1 ZINC001169151924 1060671333 /nfs/dbraw/zinc/67/13/33/1060671333.db2.gz NMLRXJQMSGBBKT-VVVCHXIZSA-N 1 0 343.368 4.070 20 30 EIEDRO C#CC(C)(C)[N@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC001169242904 1060719612 /nfs/dbraw/zinc/71/96/12/1060719612.db2.gz CYBHTWAHGHMHHI-UHFFFAOYSA-N 1 0 329.875 4.045 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@@H]1C ZINC001169285774 1060743050 /nfs/dbraw/zinc/74/30/50/1060743050.db2.gz XVFWPEGEAVKZJK-SUMWQHHRSA-N 1 0 333.863 4.051 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305443 1060764145 /nfs/dbraw/zinc/76/41/45/1060764145.db2.gz KNINRLINLITRGX-UHFFFAOYSA-N 1 0 348.446 4.158 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001169471787 1060833627 /nfs/dbraw/zinc/83/36/27/1060833627.db2.gz BTMYUNNYFYOBLA-GOSISDBHSA-N 1 0 348.349 4.159 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3C3CC3)CC2)cc1 ZINC001169942051 1061040620 /nfs/dbraw/zinc/04/06/20/1061040620.db2.gz KLNCLBDUYWGCDX-UHFFFAOYSA-N 1 0 332.447 4.479 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](CCSC3CCCCC3)CC2)cc1 ZINC001169942057 1061041796 /nfs/dbraw/zinc/04/17/96/1061041796.db2.gz KWVSRBIMLGRPAB-UHFFFAOYSA-N 1 0 344.524 4.467 20 30 EIEDRO CC[NH+](CC)C1CCN(c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001165054155 722007194 /nfs/dbraw/zinc/00/71/94/722007194.db2.gz KNGDWPHBMLMTCQ-UHFFFAOYSA-N 1 0 342.874 4.070 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CC(C)(C)CCC#N)cc1Br ZINC000229686339 1022289290 /nfs/dbraw/zinc/28/92/90/1022289290.db2.gz GIIUZGGIFSUVJA-LBPRGKRZSA-N 1 0 339.277 4.438 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)[C@@H]1COc2ccccc21 ZINC000169100134 1032187779 /nfs/dbraw/zinc/18/77/79/1032187779.db2.gz YECUDEYUOBTNQJ-JXFKEZNVSA-N 1 0 336.435 4.023 20 30 EIEDRO COc1ccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)cc1OCCCC#N ZINC000237324181 1032226693 /nfs/dbraw/zinc/22/66/93/1032226693.db2.gz HGTNMVNTHAYLHE-HOTGVXAUSA-N 1 0 330.472 4.292 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1OCCCC#N ZINC000245563645 1032316024 /nfs/dbraw/zinc/31/60/24/1032316024.db2.gz PVEDTNQLFQKBPR-QZTJIDSGSA-N 1 0 328.456 4.142 20 30 EIEDRO Cn1cc(C[NH2+][C@@H](c2cccs2)c2ccc(Cl)cc2)cc1C#N ZINC000190783291 1032316113 /nfs/dbraw/zinc/31/61/13/1032316113.db2.gz LQEQJHRIKFVMLO-GOSISDBHSA-N 1 0 341.867 4.491 20 30 EIEDRO Cc1ccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)C2CC2)cc1C ZINC000532971163 1032419619 /nfs/dbraw/zinc/41/96/19/1032419619.db2.gz GVBVPHFEXPUWGO-UHFFFAOYSA-N 1 0 347.462 4.168 20 30 EIEDRO C=CCCCC(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000175682559 1032436031 /nfs/dbraw/zinc/43/60/31/1032436031.db2.gz MOXVEWFUVOMZKF-UHFFFAOYSA-N 1 0 332.513 4.192 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000179878571 1032574229 /nfs/dbraw/zinc/57/42/29/1032574229.db2.gz GAABFQSGLRUJNL-QGZVFWFLSA-N 1 0 348.446 4.072 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000533288564 1032601891 /nfs/dbraw/zinc/60/18/91/1032601891.db2.gz OPRQJBMBLRPQRY-SJORKVTESA-N 1 0 334.529 4.478 20 30 EIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)c1C ZINC000533292462 1032607793 /nfs/dbraw/zinc/60/77/93/1032607793.db2.gz LKNFETODXIKNIV-OAQYLSRUSA-N 1 0 347.462 4.341 20 30 EIEDRO N#CCSCCC[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000533334465 1032662904 /nfs/dbraw/zinc/66/29/04/1032662904.db2.gz QSRPHKZQVJYSIV-AWEZNQCLSA-N 1 0 331.510 4.123 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000512411052 1032708596 /nfs/dbraw/zinc/70/85/96/1032708596.db2.gz WSUGTBATCRPUJF-LJQANCHMSA-N 1 0 349.858 4.191 20 30 EIEDRO CSc1ccc(Br)cc1CC[NH2+]C[C@@H](C)CCC#N ZINC000897515503 1032712660 /nfs/dbraw/zinc/71/26/60/1032712660.db2.gz SQPSLTQHJHYUTK-LBPRGKRZSA-N 1 0 341.318 4.243 20 30 EIEDRO Cc1[nH]c2ccc(Nc3cc(C(F)(F)F)c(C#N)cc3N)cc2[nH+]1 ZINC001213077085 1032731482 /nfs/dbraw/zinc/73/14/82/1032731482.db2.gz DSOKSXXWIOGZNP-UHFFFAOYSA-N 1 0 331.301 4.088 20 30 EIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000533446300 1032776206 /nfs/dbraw/zinc/77/62/06/1032776206.db2.gz RKSRASLCTZDKHI-SGTLLEGYSA-N 1 0 332.806 4.217 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000116907824 1018824856 /nfs/dbraw/zinc/82/48/56/1018824856.db2.gz NZDCDZITPLNMLQ-JXFKEZNVSA-N 1 0 338.451 4.319 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429577264 1032789205 /nfs/dbraw/zinc/78/92/05/1032789205.db2.gz FDHWYZSGPBMAIK-OAGGEKHMSA-N 1 0 345.512 4.140 20 30 EIEDRO COc1ccc([C@H](CCC#N)[NH2+]CCCOc2ccc(F)cc2)cc1 ZINC000579795727 1018992295 /nfs/dbraw/zinc/99/22/95/1018992295.db2.gz CPGDDMNLOBQBFC-FQEVSTJZSA-N 1 0 342.414 4.238 20 30 EIEDRO C=CCC[C@H]([NH2+]CCc1cncn1C)c1ccc(C(F)(F)F)cc1 ZINC000459386654 1032807401 /nfs/dbraw/zinc/80/74/01/1032807401.db2.gz LRRAXJPJPNXELD-KRWDZBQOSA-N 1 0 337.389 4.279 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001167064695 1019215158 /nfs/dbraw/zinc/21/51/58/1019215158.db2.gz XSHWWRGJUAXPFN-MOPGFXCFSA-N 1 0 326.827 4.082 20 30 EIEDRO C=CCCc1ccccc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655054870 1019274872 /nfs/dbraw/zinc/27/48/72/1019274872.db2.gz FQZLMRGJARAJFN-FQEVSTJZSA-N 1 0 334.463 4.266 20 30 EIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236701739 1032826596 /nfs/dbraw/zinc/82/65/96/1032826596.db2.gz CUZGCIABKITQBT-IERDGZPVSA-N 1 0 340.442 4.473 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430235373 1019548892 /nfs/dbraw/zinc/54/88/92/1019548892.db2.gz DELKUOPTASSFHK-XJKSGUPXSA-N 1 0 342.252 4.052 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000471173702 1019633831 /nfs/dbraw/zinc/63/38/31/1019633831.db2.gz QUECMSAGOIAKEV-UHFFFAOYSA-N 1 0 337.467 4.358 20 30 EIEDRO C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccc(C#N)cc1 ZINC000154344345 1019731949 /nfs/dbraw/zinc/73/19/49/1019731949.db2.gz TWQQTCDHVAKOIR-MFPRGYPFSA-N 1 0 345.446 4.042 20 30 EIEDRO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000180373316 1020104048 /nfs/dbraw/zinc/10/40/48/1020104048.db2.gz RLXPLSXYOJZVMP-TZIWHRDSSA-N 1 0 344.499 4.443 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1F)c1ccccc1 ZINC000547766627 1020177721 /nfs/dbraw/zinc/17/77/21/1020177721.db2.gz IIPGVSGDGNEJBT-LJQANCHMSA-N 1 0 327.399 4.409 20 30 EIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000134916790 1020266118 /nfs/dbraw/zinc/26/61/18/1020266118.db2.gz FJKLWQSNJNZRHK-QWHCGFSZSA-N 1 0 328.435 4.369 20 30 EIEDRO Oc1cccc(Cl)c1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000748098465 1020328833 /nfs/dbraw/zinc/32/88/33/1020328833.db2.gz DQJPNFRNBJEHPZ-UHFFFAOYSA-N 1 0 339.744 4.206 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001209439674 1020342605 /nfs/dbraw/zinc/34/26/05/1020342605.db2.gz VMTBJEOYSDSBFJ-NRFANRHFSA-N 1 0 341.499 4.037 20 30 EIEDRO C=CCCCCCCC[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001209439531 1020346490 /nfs/dbraw/zinc/34/64/90/1020346490.db2.gz RVUKHUPVFOZNAB-UHFFFAOYSA-N 1 0 333.520 4.177 20 30 EIEDRO C=CCCCCCCCCN1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001209442264 1020351504 /nfs/dbraw/zinc/35/15/04/1020351504.db2.gz DEYBFGFJQLPYDY-CABCVRRESA-N 1 0 325.390 4.240 20 30 EIEDRO C=CCCCCCCC[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001209442171 1020351930 /nfs/dbraw/zinc/35/19/30/1020351930.db2.gz VJBCCGBKIUURIH-HXUWFJFHSA-N 1 0 345.531 4.268 20 30 EIEDRO C=CCCCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001209444292 1020353952 /nfs/dbraw/zinc/35/39/52/1020353952.db2.gz OWIPWSKANGMFCV-WOJBJXKFSA-N 1 0 334.548 4.482 20 30 EIEDRO C#CC[N@@H+](CCOc1ccc(F)cc1Cl)[C@H]1CCc2ccccc21 ZINC001167179246 1020488270 /nfs/dbraw/zinc/48/82/70/1020488270.db2.gz XEBOHVCCRFJPEM-IBGZPJMESA-N 1 0 343.829 4.481 20 30 EIEDRO CC(C)[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCC1 ZINC000119700177 1020560702 /nfs/dbraw/zinc/56/07/02/1020560702.db2.gz XPXMFOLRRQMZRD-HNNXBMFYSA-N 1 0 345.512 4.140 20 30 EIEDRO CCO[C@H]1C[C@H]([N@H+](C)CCCC2(C#N)CCOCC2)C12CCCCC2 ZINC000375609593 1020705098 /nfs/dbraw/zinc/70/50/98/1020705098.db2.gz BCANKNIHVFTOEY-OALUTQOASA-N 1 0 348.531 4.147 20 30 EIEDRO N#Cc1ccc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000176811358 1020919604 /nfs/dbraw/zinc/91/96/04/1020919604.db2.gz PNJABDAOYAKFJN-UHFFFAOYSA-N 1 0 349.478 4.041 20 30 EIEDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000340451007 1021046246 /nfs/dbraw/zinc/04/62/46/1021046246.db2.gz YZOBWOUZUVSFTB-VAMGGRTRSA-N 1 0 336.483 4.471 20 30 EIEDRO O[C@@H](C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1)c1cccs1 ZINC000175837439 1021129930 /nfs/dbraw/zinc/12/99/30/1021129930.db2.gz QPJFKYLJZSSELL-ROUUACIJSA-N 1 0 345.895 4.341 20 30 EIEDRO C=C1CCN(CC(=O)N[C@@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001167329950 1021158969 /nfs/dbraw/zinc/15/89/69/1021158969.db2.gz PSPJYRCVBBXMKL-SFHVURJKSA-N 1 0 332.463 4.071 20 30 EIEDRO C=CC[C@H](CC)[NH2+][C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000500818885 1032962005 /nfs/dbraw/zinc/96/20/05/1032962005.db2.gz WYOKWRYXBQTYPR-FXAWDEMLSA-N 1 0 338.451 4.319 20 30 EIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000500818988 1032962042 /nfs/dbraw/zinc/96/20/42/1032962042.db2.gz WYOKWRYXBQTYPR-YLJYHZDGSA-N 1 0 338.451 4.319 20 30 EIEDRO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610343961 1021334585 /nfs/dbraw/zinc/33/45/85/1021334585.db2.gz XCLBEDKFXNVSSA-KBPBESRZSA-N 1 0 341.842 4.198 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000610343460 1021339458 /nfs/dbraw/zinc/33/94/58/1021339458.db2.gz HOMYDFJTYAADOW-NWDGAFQWSA-N 1 0 345.805 4.029 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc2ccccc21 ZINC000610343414 1021339778 /nfs/dbraw/zinc/33/97/78/1021339778.db2.gz FZFJGHBKCJVIER-JKSUJKDBSA-N 1 0 343.430 4.389 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(Cl)c1OC ZINC000610345270 1021341393 /nfs/dbraw/zinc/34/13/93/1021341393.db2.gz YYEQLSGJJZYXJK-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610345992 1021347816 /nfs/dbraw/zinc/34/78/16/1021347816.db2.gz GQXBNGGNBMBYJF-JKSUJKDBSA-N 1 0 335.451 4.359 20 30 EIEDRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610345990 1021349990 /nfs/dbraw/zinc/34/99/90/1021349990.db2.gz GQXBNGGNBMBYJF-HOTGVXAUSA-N 1 0 335.451 4.359 20 30 EIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)c1 ZINC000340555775 1021389059 /nfs/dbraw/zinc/38/90/59/1021389059.db2.gz XNLNUYUCAGUHEJ-NRFANRHFSA-N 1 0 347.462 4.079 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180033557 1021413486 /nfs/dbraw/zinc/41/34/86/1021413486.db2.gz BQFLYLYTZRGSST-SFHVURJKSA-N 1 0 344.462 4.242 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(OCC(F)(F)F)cc1 ZINC000177690548 1021451336 /nfs/dbraw/zinc/45/13/36/1021451336.db2.gz REYXFSDODFUIKN-LLVKDONJSA-N 1 0 340.370 4.412 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(OCc2ccccc2C)cc1 ZINC000545272619 1021462222 /nfs/dbraw/zinc/46/22/22/1021462222.db2.gz LRBQMAVXDRQFKW-FXAWDEMLSA-N 1 0 325.452 4.162 20 30 EIEDRO C=C(C)C[N@@H+](CCOc1cccc(F)c1)Cc1cnn(C(C)C)c1 ZINC000512521684 1032985013 /nfs/dbraw/zinc/98/50/13/1032985013.db2.gz IKPIHYJWGGFIKW-UHFFFAOYSA-N 1 0 331.435 4.060 20 30 EIEDRO N#Cc1csc(C[NH2+]C2(c3ccc(Br)cc3)CC2)c1 ZINC000177695674 1021536604 /nfs/dbraw/zinc/53/66/04/1021536604.db2.gz DWMYLRBGIJFEIY-UHFFFAOYSA-N 1 0 333.254 4.161 20 30 EIEDRO CC(C)(C#N)CCCOC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000782171305 1021675317 /nfs/dbraw/zinc/67/53/17/1021675317.db2.gz WIQMRRLHHPIPFH-UHFFFAOYSA-N 1 0 328.456 4.159 20 30 EIEDRO Cc1cc(C)cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000580466235 1021796645 /nfs/dbraw/zinc/79/66/45/1021796645.db2.gz RTLUGRHXJHSAKZ-LJQANCHMSA-N 1 0 337.442 4.073 20 30 EIEDRO Cc1cc(C)cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000580466234 1021798289 /nfs/dbraw/zinc/79/82/89/1021798289.db2.gz RTLUGRHXJHSAKZ-IBGZPJMESA-N 1 0 337.442 4.073 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(SC)c(F)c2)ccc1C#N ZINC000558510124 1021902004 /nfs/dbraw/zinc/90/20/04/1021902004.db2.gz YKFIVXAKNYOUHP-GFCCVEGCSA-N 1 0 330.428 4.279 20 30 EIEDRO C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613428938 1022007450 /nfs/dbraw/zinc/00/74/50/1022007450.db2.gz AUZGFQBSCSLLCB-WBVHZDCISA-N 1 0 340.515 4.316 20 30 EIEDRO COc1ccc(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)c(Cl)c1 ZINC000582575963 1022087735 /nfs/dbraw/zinc/08/77/35/1022087735.db2.gz OGZHYQSSBFRNQC-LJQANCHMSA-N 1 0 326.827 4.040 20 30 EIEDRO CCc1nc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cs1 ZINC000271063437 1022105847 /nfs/dbraw/zinc/10/58/47/1022105847.db2.gz HTEJKGFMKZETIT-UHFFFAOYSA-N 1 0 339.508 4.242 20 30 EIEDRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000537161209 1022200560 /nfs/dbraw/zinc/20/05/60/1022200560.db2.gz BHJRQDPOIIZXDD-KGLIPLIRSA-N 1 0 347.528 4.241 20 30 EIEDRO [NH2+]=C(NCc1ccc(Sc2ccccc2)cc1)Nc1ccccn1 ZINC000178987964 1022224905 /nfs/dbraw/zinc/22/49/05/1022224905.db2.gz LGASPNHRYNDXRF-UHFFFAOYSA-N 1 0 334.448 4.160 20 30 EIEDRO C[C@H](ON=C(N)C1CCCCCC1)c1nnc(-c2ccccc2)o1 ZINC000179004690 1022227792 /nfs/dbraw/zinc/22/77/92/1022227792.db2.gz ZSCOPRBQNBENCU-ZDUSSCGKSA-N 1 0 328.416 4.057 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000187875489 1022337236 /nfs/dbraw/zinc/33/72/36/1022337236.db2.gz VVTIHUXSLGEWIY-IBGZPJMESA-N 1 0 332.513 4.085 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CCO2 ZINC000613516506 1022385842 /nfs/dbraw/zinc/38/58/42/1022385842.db2.gz GGCVLMXKLDTACT-PMACEKPBSA-N 1 0 334.419 4.058 20 30 EIEDRO Cc1cc(N2CCO[C@H](c3cccc(C#N)c3)C2)c2cc(F)ccc2[nH+]1 ZINC000341392415 1022445754 /nfs/dbraw/zinc/44/57/54/1022445754.db2.gz YZMFVYQTYLCOSZ-NRFANRHFSA-N 1 0 347.393 4.132 20 30 EIEDRO C=C(C[NH+]1CCCCC1)c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001211434662 1022575485 /nfs/dbraw/zinc/57/54/85/1022575485.db2.gz ABBUPOWGPVFOKX-UHFFFAOYSA-N 1 0 339.773 4.167 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c(-c2ccccc2)n1 ZINC000378344582 1022724591 /nfs/dbraw/zinc/72/45/91/1022724591.db2.gz AQWWPZPITDNTRE-GOSISDBHSA-N 1 0 346.434 4.046 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(C4CC4)cc3)CC2)cc1 ZINC000188721663 1022744507 /nfs/dbraw/zinc/74/45/07/1022744507.db2.gz ZPXUEGSCDHCZFL-UHFFFAOYSA-N 1 0 345.490 4.190 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000580982828 1022776909 /nfs/dbraw/zinc/77/69/09/1022776909.db2.gz ZOPSCBWHFHYXMA-YADHBBJMSA-N 1 0 333.479 4.218 20 30 EIEDRO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000056491368 1022833205 /nfs/dbraw/zinc/83/32/05/1022833205.db2.gz DDEHSEDOBREXNB-UHFFFAOYSA-N 1 0 334.341 4.131 20 30 EIEDRO COc1ccccc1C1CC([NH2+][C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000378477280 1022838110 /nfs/dbraw/zinc/83/81/10/1022838110.db2.gz STMMSBNHJXOTLC-FAEJEUNOSA-N 1 0 336.435 4.194 20 30 EIEDRO CCOc1ccc(CCC2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000581144182 1022854239 /nfs/dbraw/zinc/85/42/39/1022854239.db2.gz FFZJMPRDMUGYQG-UXHICEINSA-N 1 0 326.484 4.422 20 30 EIEDRO COc1ccc([C@H](CCC#N)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000581230535 1022891377 /nfs/dbraw/zinc/89/13/77/1022891377.db2.gz BRRHRXOYFWERQV-PXNSSMCTSA-N 1 0 343.515 4.140 20 30 EIEDRO C[C@@H]1C[C@H](N(C)Cc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000156979995 1022921819 /nfs/dbraw/zinc/92/18/19/1022921819.db2.gz RFTVCYXMHBKKLV-XMSQKQJNSA-N 1 0 333.479 4.043 20 30 EIEDRO N#Cc1cc2ccccc2nc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311363332 1023129144 /nfs/dbraw/zinc/12/91/44/1023129144.db2.gz IHXVWWQYUQOVGC-GOSISDBHSA-N 1 0 342.446 4.040 20 30 EIEDRO C=C[C@@H](CC)CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000933256633 1023142247 /nfs/dbraw/zinc/14/22/47/1023142247.db2.gz FNDLBHNFMMJOHN-KRWDZBQOSA-N 1 0 343.515 4.005 20 30 EIEDRO C=CCCOCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000323431522 1023153425 /nfs/dbraw/zinc/15/34/25/1023153425.db2.gz QPIFQXBWJJKZPX-UHFFFAOYSA-N 1 0 328.437 4.239 20 30 EIEDRO Cc1ccc(C(=O)C2CC[NH+](CCc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000659825666 1023307588 /nfs/dbraw/zinc/30/75/88/1023307588.db2.gz WSVSYONMVMCFJN-UHFFFAOYSA-N 1 0 346.474 4.313 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(OCC#N)cc1 ZINC000376802531 1023314061 /nfs/dbraw/zinc/31/40/61/1023314061.db2.gz BHAMNDSQHISVSG-SJKOYZFVSA-N 1 0 328.799 4.027 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000549476230 1023381937 /nfs/dbraw/zinc/38/19/37/1023381937.db2.gz CLEZBCQEPKLOLS-ROUUACIJSA-N 1 0 335.442 4.018 20 30 EIEDRO CCCCCCCCc1nnc(NC(=O)c2ccc(C[NH3+])cc2)s1 ZINC000236638163 1023383555 /nfs/dbraw/zinc/38/35/55/1023383555.db2.gz HWUFIJGMHJBYGX-UHFFFAOYSA-N 1 0 346.500 4.152 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415024256 1023395240 /nfs/dbraw/zinc/39/52/40/1023395240.db2.gz MXINNFARFMHOAW-SFHVURJKSA-N 1 0 338.451 4.226 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000175911112 1023414835 /nfs/dbraw/zinc/41/48/35/1023414835.db2.gz FDAGEZYTDIAHIR-FGSXEWAUSA-N 1 0 333.479 4.262 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000549174218 1023424592 /nfs/dbraw/zinc/42/45/92/1023424592.db2.gz PWNQKNHIAOZKPR-QGZVFWFLSA-N 1 0 349.478 4.036 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN(CCO)[C@@H]1CCCc2ccccc21 ZINC000480742695 1023425630 /nfs/dbraw/zinc/42/56/30/1023425630.db2.gz RYLCCUCDOQTGSK-HXUWFJFHSA-N 1 0 340.854 4.084 20 30 EIEDRO C=CCC[C@H](NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000417909478 1023449860 /nfs/dbraw/zinc/44/98/60/1023449860.db2.gz IBPDEUBHDGAWOW-UZLBHIALSA-N 1 0 337.467 4.213 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Br)ccc1F ZINC000149551217 1023451913 /nfs/dbraw/zinc/45/19/13/1023451913.db2.gz FUVDQFAOAHRXJS-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H](c2cncc(Br)c2)C2CC2)c1 ZINC000341252908 1023457718 /nfs/dbraw/zinc/45/77/18/1023457718.db2.gz HQVJNBPXFYYDPP-HNNXBMFYSA-N 1 0 348.269 4.018 20 30 EIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000565690474 1023462963 /nfs/dbraw/zinc/46/29/63/1023462963.db2.gz WDZVWBTZAQSJDL-LJQANCHMSA-N 1 0 336.435 4.088 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccco1 ZINC000276415979 1023474539 /nfs/dbraw/zinc/47/45/39/1023474539.db2.gz GIBXGSCQRWFRLK-LJQANCHMSA-N 1 0 338.451 4.199 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](Cc2csc(-c3ccc(OC)cc3OC)n2)C1 ZINC000625702740 1023532063 /nfs/dbraw/zinc/53/20/63/1023532063.db2.gz IPJPKALSKZGFRL-AWEZNQCLSA-N 1 0 344.480 4.225 20 30 EIEDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CC3 ZINC000123139299 1023544561 /nfs/dbraw/zinc/54/45/61/1023544561.db2.gz XLPCQWQICPSJER-RHSMWYFYSA-N 1 0 345.446 4.256 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000418138319 1023555494 /nfs/dbraw/zinc/55/54/94/1023555494.db2.gz CODKYIPGJZXPMY-SFHVURJKSA-N 1 0 336.826 4.027 20 30 EIEDRO C=CCCCC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC001167717404 1023572752 /nfs/dbraw/zinc/57/27/52/1023572752.db2.gz QILMOEGIRZSPPI-UHFFFAOYSA-N 1 0 338.289 4.401 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+][C@@H]2CCSc3c(F)cccc32)O1 ZINC000364287735 1023581898 /nfs/dbraw/zinc/58/18/98/1023581898.db2.gz CBYYHXLLBDTVMD-OPTNGKCXSA-N 1 0 346.471 4.192 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccco1 ZINC000276503902 1023609692 /nfs/dbraw/zinc/60/96/92/1023609692.db2.gz XQJIIERRXOEREK-XLIONFOSSA-N 1 0 339.483 4.497 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000449246477 1023692680 /nfs/dbraw/zinc/69/26/80/1023692680.db2.gz DMBBVZJQXMCDFU-UHFFFAOYSA-N 1 0 346.272 4.492 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415587853 1023707452 /nfs/dbraw/zinc/70/74/52/1023707452.db2.gz XDPAAKSNKMJRQL-INIZCTEOSA-N 1 0 329.488 4.050 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000390603287 1023713849 /nfs/dbraw/zinc/71/38/49/1023713849.db2.gz ZKQZOQMUTBRMQT-NRFANRHFSA-N 1 0 336.479 4.006 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000415590267 1023714588 /nfs/dbraw/zinc/71/45/88/1023714588.db2.gz ZYOHFNXPESGKHU-IBGZPJMESA-N 1 0 337.467 4.360 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415672908 1023761961 /nfs/dbraw/zinc/76/19/61/1023761961.db2.gz LXXSSGNWHDOIFP-HXUWFJFHSA-N 1 0 337.467 4.407 20 30 EIEDRO N#CCN(CCC(=O)Nc1ccccc1-c1ccccc1)C1CCCC1 ZINC000156601532 1023782360 /nfs/dbraw/zinc/78/23/60/1023782360.db2.gz SYHUTQRZKGVYSL-UHFFFAOYSA-N 1 0 347.462 4.450 20 30 EIEDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)CCCCCC#N ZINC000891568396 1023785871 /nfs/dbraw/zinc/78/58/71/1023785871.db2.gz LXRWSKPVRXXPJU-SFHVURJKSA-N 1 0 329.488 4.061 20 30 EIEDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1ccc(C#N)cc1C ZINC000891569148 1023787175 /nfs/dbraw/zinc/78/71/75/1023787175.db2.gz NDKVFBRMXBXFFE-SFHVURJKSA-N 1 0 349.478 4.080 20 30 EIEDRO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000341485414 1023808836 /nfs/dbraw/zinc/80/88/36/1023808836.db2.gz PDORTXAZMDCBOP-QGZVFWFLSA-N 1 0 336.435 4.152 20 30 EIEDRO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(C#N)cc1F ZINC000471770489 1023824761 /nfs/dbraw/zinc/82/47/61/1023824761.db2.gz JYOHJNDRHAZEKY-LBPRGKRZSA-N 1 0 334.341 4.192 20 30 EIEDRO Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc(C#N)n1 ZINC000341532508 1023834568 /nfs/dbraw/zinc/83/45/68/1023834568.db2.gz ORPNWLRABPHSSJ-MRXNPFEDSA-N 1 0 334.467 4.106 20 30 EIEDRO C=CCC(C)(C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000432077669 1023862829 /nfs/dbraw/zinc/86/28/29/1023862829.db2.gz OYHJLZKXQQQRFX-KRWDZBQOSA-N 1 0 343.515 4.114 20 30 EIEDRO Cc1nsc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1C#N ZINC000341549339 1023863914 /nfs/dbraw/zinc/86/39/14/1023863914.db2.gz OWIAWBQJRUSIAW-AWEZNQCLSA-N 1 0 340.496 4.310 20 30 EIEDRO Cc1nccn1CCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870663 1023870458 /nfs/dbraw/zinc/87/04/58/1023870458.db2.gz CACCXRNOGYFKDT-KRWDZBQOSA-N 1 0 344.462 4.471 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511769124 1023875838 /nfs/dbraw/zinc/87/58/38/1023875838.db2.gz MMCOUKROULFSBA-PKOBYXMFSA-N 1 0 328.500 4.006 20 30 EIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(OC)c1Cl ZINC000660539324 1023898287 /nfs/dbraw/zinc/89/82/87/1023898287.db2.gz UEDBZJIRBOITLI-UHFFFAOYSA-N 1 0 335.831 4.012 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)cc1Cl ZINC000093863710 1023901615 /nfs/dbraw/zinc/90/16/15/1023901615.db2.gz CEXFNHAGEXKIOX-QGZVFWFLSA-N 1 0 345.874 4.148 20 30 EIEDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000544147752 1024016817 /nfs/dbraw/zinc/01/68/17/1024016817.db2.gz YZSYLUSKIDUDDP-OAQYLSRUSA-N 1 0 344.462 4.459 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000651679965 1024184159 /nfs/dbraw/zinc/18/41/59/1024184159.db2.gz TYNLHYQHNJYCPQ-QMTMVMCOSA-N 1 0 327.472 4.366 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000651700198 1024229829 /nfs/dbraw/zinc/22/98/29/1024229829.db2.gz XFZJFFRTYAJLRI-PXNSSMCTSA-N 1 0 329.484 4.217 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000651710701 1024241312 /nfs/dbraw/zinc/24/13/12/1024241312.db2.gz LAHBDAOEXKZHSQ-DOTOQJQBSA-N 1 0 327.497 4.472 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000487359092 1024338297 /nfs/dbraw/zinc/33/82/97/1024338297.db2.gz DIUTWDXOHGJCFQ-QWFCFKBJSA-N 1 0 339.527 4.325 20 30 EIEDRO C[C@H](c1ccccn1)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000091702022 1024345786 /nfs/dbraw/zinc/34/57/86/1024345786.db2.gz GMFYVILYQYMIJV-CQSZACIVSA-N 1 0 334.341 4.025 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1 ZINC000341699163 1024347826 /nfs/dbraw/zinc/34/78/26/1024347826.db2.gz QZULDEUFIVPASX-OPAMFIHVSA-N 1 0 342.446 4.472 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510740663 1024381546 /nfs/dbraw/zinc/38/15/46/1024381546.db2.gz VVGCLPQNMJNTDL-QFIPXVFZSA-N 1 0 338.470 4.464 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccc(O)cc2)c1 ZINC000066905710 1024392300 /nfs/dbraw/zinc/39/23/00/1024392300.db2.gz NXGDBMJVIIIFJP-UHFFFAOYSA-N 1 0 344.414 4.133 20 30 EIEDRO CC(C)(C[NH2+]Cc1cccc(OCCCC#N)c1)[C@H]1CCCCO1 ZINC000610717424 1024705014 /nfs/dbraw/zinc/70/50/14/1024705014.db2.gz KXDPMKQUCJCTHM-LJQANCHMSA-N 1 0 330.472 4.054 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)ccc1F ZINC000610719640 1024715092 /nfs/dbraw/zinc/71/50/92/1024715092.db2.gz VJRIYTZZMDPOPP-UHFFFAOYSA-N 1 0 330.353 4.355 20 30 EIEDRO C=CCc1cc(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc(OC)c1O ZINC000432251579 1024756607 /nfs/dbraw/zinc/75/66/07/1024756607.db2.gz UATIUOKMJUQUHX-UHFFFAOYSA-N 1 0 347.499 4.203 20 30 EIEDRO Cc1ccc(CNC(=[NH2+])Nc2ccccn2)c(Oc2ccccc2)c1 ZINC000176172306 1024819760 /nfs/dbraw/zinc/81/97/60/1024819760.db2.gz UVJWXWWXBBZNLH-UHFFFAOYSA-N 1 0 332.407 4.109 20 30 EIEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000610812797 1025003807 /nfs/dbraw/zinc/00/38/07/1025003807.db2.gz MMWQREUFBALRLQ-JTQLQIEISA-N 1 0 346.689 4.285 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C(=O)OC)oc1CC)c1ccccc1 ZINC000341929370 1025006897 /nfs/dbraw/zinc/00/68/97/1025006897.db2.gz KFUNBIVWTJACCS-QGZVFWFLSA-N 1 0 327.424 4.426 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1cccc(C#N)c1 ZINC000610830128 1025053070 /nfs/dbraw/zinc/05/30/70/1025053070.db2.gz FVCYRMCAJDIJMM-XGHQBKJUSA-N 1 0 325.500 4.252 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)CC1CCCCC1 ZINC000063558982 1025098977 /nfs/dbraw/zinc/09/89/77/1025098977.db2.gz DOCAJXCUXOBAOF-UHFFFAOYSA-N 1 0 327.472 4.179 20 30 EIEDRO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001126244195 1025181498 /nfs/dbraw/zinc/18/14/98/1025181498.db2.gz UDIYHASCPUKXGM-NSHGMRRFSA-N 1 0 328.500 4.100 20 30 EIEDRO Cc1[nH]c2ccccc2c1C1=CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610995071 1025242491 /nfs/dbraw/zinc/24/24/91/1025242491.db2.gz YRSLPLUFBCBVEC-UHFFFAOYSA-N 1 0 328.419 4.032 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000105491854 1025380516 /nfs/dbraw/zinc/38/05/16/1025380516.db2.gz XWOIVGDGGFXLOO-KRWDZBQOSA-N 1 0 327.225 4.098 20 30 EIEDRO C=CCCCC[NH2+]Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000472041860 1025489482 /nfs/dbraw/zinc/48/94/82/1025489482.db2.gz IQWXTPISEQJSOR-UHFFFAOYSA-N 1 0 327.472 4.003 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000066971946 1025571164 /nfs/dbraw/zinc/57/11/64/1025571164.db2.gz TVOHKAWQXVUYQM-UHFFFAOYSA-N 1 0 349.415 4.485 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)/C=C/c1cccc(C#N)c1 ZINC000156804915 1025649953 /nfs/dbraw/zinc/64/99/53/1025649953.db2.gz SACZOTVSYCCYOT-MDZDMXLPSA-N 1 0 345.446 4.114 20 30 EIEDRO Cc1ccc(OCc2nc(C[NH2+]CC(C)(C)CCC#N)cs2)cc1 ZINC000342291731 1025804582 /nfs/dbraw/zinc/80/45/82/1025804582.db2.gz NIDCEQWFUISWBR-UHFFFAOYSA-N 1 0 343.496 4.450 20 30 EIEDRO Cc1sc(NC(=O)C[N@@H+](C)C(C)(C)c2ccccc2)c(C#N)c1C ZINC000585754596 1025823726 /nfs/dbraw/zinc/82/37/26/1025823726.db2.gz RMYQTXWDXDXCBB-UHFFFAOYSA-N 1 0 341.480 4.042 20 30 EIEDRO COc1ncc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1Cl ZINC000585765082 1025827310 /nfs/dbraw/zinc/82/73/10/1025827310.db2.gz FIMKLYJCNAQMEC-JTQLQIEISA-N 1 0 336.222 4.119 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000342313293 1025828406 /nfs/dbraw/zinc/82/84/06/1025828406.db2.gz ZCTSRUKKADSJIZ-UHFFFAOYSA-N 1 0 327.384 4.274 20 30 EIEDRO Cn1c2ccc(Cl)cc2nc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000330360923 1025841699 /nfs/dbraw/zinc/84/16/99/1025841699.db2.gz XSDHPCBOAYMHAX-CYBMUJFWSA-N 1 0 334.851 4.079 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(OC)c(OC)cc1C ZINC000512065834 1025871459 /nfs/dbraw/zinc/87/14/59/1025871459.db2.gz ARFAMSDVDMUZJO-UHFFFAOYSA-N 1 0 336.435 4.072 20 30 EIEDRO CC[N@H+](CCOc1ccc(Br)cc1)CCC(C)(C)C#N ZINC001167513900 1025871842 /nfs/dbraw/zinc/87/18/42/1025871842.db2.gz ZABCMWDPFZEOMJ-UHFFFAOYSA-N 1 0 339.277 4.090 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278969937 1025874031 /nfs/dbraw/zinc/87/40/31/1025874031.db2.gz XSMMWKAJXIYLHC-INIZCTEOSA-N 1 0 334.467 4.032 20 30 EIEDRO FC(F)(F)Oc1cc(Cl)ccc1CN1CCC(S)CC1 ZINC001143432698 1025906297 /nfs/dbraw/zinc/90/62/97/1025906297.db2.gz HFYGGETURMOKMM-UHFFFAOYSA-N 1 0 325.783 4.133 20 30 EIEDRO Cc1cc(NCc2ccccc2C[N@H+](C)Cc2ccco2)cc(C#N)n1 ZINC000342345495 1025906477 /nfs/dbraw/zinc/90/64/77/1025906477.db2.gz HAGORHHOYZMFGT-UHFFFAOYSA-N 1 0 346.434 4.099 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCC(C)(C)CC2)cc1 ZINC001167529940 1025953725 /nfs/dbraw/zinc/95/37/25/1025953725.db2.gz WVCHAIQHVQNCTE-GOSISDBHSA-N 1 0 341.499 4.142 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000894480330 1026038442 /nfs/dbraw/zinc/03/84/42/1026038442.db2.gz GMLZUHSHILQCKO-IAQYHMDHSA-N 1 0 329.271 4.335 20 30 EIEDRO C=CCOc1ccccc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971562 1026090067 /nfs/dbraw/zinc/09/00/67/1026090067.db2.gz YNTVUSALWAILRE-VOBGVNJCSA-N 1 0 340.511 4.307 20 30 EIEDRO CC(C)(C)C(C)(C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000551229254 1026092595 /nfs/dbraw/zinc/09/25/95/1026092595.db2.gz QRNCBSIDXULCFM-UHFFFAOYSA-N 1 0 327.516 4.185 20 30 EIEDRO N#Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000111218312 1026102158 /nfs/dbraw/zinc/10/21/58/1026102158.db2.gz DEMHMVOLWJHBAK-KRWDZBQOSA-N 1 0 345.368 4.263 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CCOc3ccc4ccccc4c3)CC2)c1 ZINC000551406309 1026169102 /nfs/dbraw/zinc/16/91/02/1026169102.db2.gz MUCSIJGXEKPTEH-UHFFFAOYSA-N 1 0 328.415 4.369 20 30 EIEDRO C=CCCn1cc(C[NH2+]C[C@@H](C)c2c(Cl)cccc2Cl)nn1 ZINC000657342718 1026187288 /nfs/dbraw/zinc/18/72/88/1026187288.db2.gz RSYHFKKGABAZGN-GFCCVEGCSA-N 1 0 339.270 4.054 20 30 EIEDRO CC[N@H+](Cc1cccc(OCCOC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119853332 1026200546 /nfs/dbraw/zinc/20/05/46/1026200546.db2.gz YXYNMDWLGMPQDW-KRWDZBQOSA-N 1 0 338.451 4.167 20 30 EIEDRO CN(Cc1cc(C#N)cs1)Cc1cccc(OC(F)(F)F)c1 ZINC000092008920 1026204270 /nfs/dbraw/zinc/20/42/70/1026204270.db2.gz SNFPSJODCDEPMQ-UHFFFAOYSA-N 1 0 326.343 4.150 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@H](c3ccc(F)cc3)C3CCCC3)n2c1 ZINC000551529957 1026208197 /nfs/dbraw/zinc/20/81/97/1026208197.db2.gz MANGPEFRHYUNNK-NRFANRHFSA-N 1 0 348.425 4.366 20 30 EIEDRO C=C(C)COc1cccc(NCc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000344302471 1026224901 /nfs/dbraw/zinc/22/49/01/1026224901.db2.gz LMGVJNAVSFYJTR-UHFFFAOYSA-N 1 0 334.423 4.143 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCc3sc(Br)cc32)c1 ZINC000582136185 1026229420 /nfs/dbraw/zinc/22/94/20/1026229420.db2.gz DEUTZNBYLJRDJH-CQSZACIVSA-N 1 0 347.281 4.202 20 30 EIEDRO CCCc1ccc([C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)C(C)C)cc1 ZINC000550157027 1026252897 /nfs/dbraw/zinc/25/28/97/1026252897.db2.gz QZUMQVQMZJDKQH-HXUWFJFHSA-N 1 0 347.466 4.040 20 30 EIEDRO Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCC#N)cc1 ZINC000344340856 1026255070 /nfs/dbraw/zinc/25/50/70/1026255070.db2.gz ZUXYCPDKFPVKKK-UHFFFAOYSA-N 1 0 344.462 4.300 20 30 EIEDRO CCC[C@H](CCc1ccccc1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551804251 1026268719 /nfs/dbraw/zinc/26/87/19/1026268719.db2.gz QIUNOTWKGFDFCZ-LJQANCHMSA-N 1 0 332.451 4.097 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1OCCCC#N ZINC000277511740 1026314935 /nfs/dbraw/zinc/31/49/35/1026314935.db2.gz RAUODFDAXYIHMT-UHFFFAOYSA-N 1 0 328.456 4.190 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cs1 ZINC000892224428 1026354612 /nfs/dbraw/zinc/35/46/12/1026354612.db2.gz DMNMXCMEYHBCFF-WBVHZDCISA-N 1 0 330.453 4.081 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1)c1ccc(C#N)cc1 ZINC000550227395 1026383253 /nfs/dbraw/zinc/38/32/53/1026383253.db2.gz RFBJYEIJUUHJIW-HUUCEWRRSA-N 1 0 334.398 4.295 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000582259533 1026383567 /nfs/dbraw/zinc/38/35/67/1026383567.db2.gz RQEQTPJRVZOOAD-MRXNPFEDSA-N 1 0 329.488 4.447 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000532013949 1026409018 /nfs/dbraw/zinc/40/90/18/1026409018.db2.gz RKZLBLBCKVJUJC-JOCHJYFZSA-N 1 0 334.463 4.235 20 30 EIEDRO CCC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)C1CCCCC1 ZINC000540589657 1026419570 /nfs/dbraw/zinc/41/95/70/1026419570.db2.gz XVAAAMMQKORYGL-QGZVFWFLSA-N 1 0 331.460 4.045 20 30 EIEDRO CC[C@@H](C)C[N@H+](CC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167562431 1026429817 /nfs/dbraw/zinc/42/98/17/1026429817.db2.gz LAUAXJBHINZNSR-OAHLLOKOSA-N 1 0 349.906 4.263 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244664 1026570532 /nfs/dbraw/zinc/57/05/32/1026570532.db2.gz OSYJFAOBMLPHBW-XXBNENTESA-N 1 0 345.490 4.217 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000277603887 1026643518 /nfs/dbraw/zinc/64/35/18/1026643518.db2.gz FIODCCIWSOSURD-UHFFFAOYSA-N 1 0 345.462 4.196 20 30 EIEDRO Cc1sc(NC(=O)C[N@H+](CC2CC2)C2CCCCC2)c(C#N)c1C ZINC000427003007 1026675413 /nfs/dbraw/zinc/67/54/13/1026675413.db2.gz YZTLOAIIRUGVBE-UHFFFAOYSA-N 1 0 345.512 4.220 20 30 EIEDRO N#CC1(C[C@@H](O)C[N@H+](Cc2cccc(F)c2)C2CCCC2)CCC1 ZINC001167984705 1026700921 /nfs/dbraw/zinc/70/09/21/1026700921.db2.gz WGSSWJGDQJFSTR-LJQANCHMSA-N 1 0 330.447 4.015 20 30 EIEDRO C=CCC[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000427230409 1026787395 /nfs/dbraw/zinc/78/73/95/1026787395.db2.gz FGQWXLKJEKDFPL-UXHICEINSA-N 1 0 328.500 4.069 20 30 EIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000479469022 1026819377 /nfs/dbraw/zinc/81/93/77/1026819377.db2.gz VFJCIMHSXGDRSR-APWZRJJASA-N 1 0 340.442 4.386 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000479521563 1026834785 /nfs/dbraw/zinc/83/47/85/1026834785.db2.gz GSNRBOSJWOQSDJ-CQSZACIVSA-N 1 0 348.368 4.393 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000427448499 1026853908 /nfs/dbraw/zinc/85/39/08/1026853908.db2.gz ISVLPFUJAFRYCT-NRFANRHFSA-N 1 0 340.511 4.213 20 30 EIEDRO CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1Cl ZINC000562099738 1026855873 /nfs/dbraw/zinc/85/58/73/1026855873.db2.gz JDEUHBZXRJRYLJ-GOSISDBHSA-N 1 0 326.827 4.387 20 30 EIEDRO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630335 1026859009 /nfs/dbraw/zinc/85/90/09/1026859009.db2.gz PAWYSKYDHZMDAA-RVEPMOMFSA-N 1 0 339.527 4.101 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000507668396 1026865261 /nfs/dbraw/zinc/86/52/61/1026865261.db2.gz IGQIGMVTRPNSQU-NRFANRHFSA-N 1 0 334.463 4.434 20 30 EIEDRO Cc1ccccc1OCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507654736 1026868742 /nfs/dbraw/zinc/86/87/42/1026868742.db2.gz WXDBERJWKLXGJD-UHFFFAOYSA-N 1 0 334.463 4.368 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000519615045 1026870866 /nfs/dbraw/zinc/87/08/66/1026870866.db2.gz QLQKIKYFLDQTOG-UHFFFAOYSA-N 1 0 330.353 4.442 20 30 EIEDRO C=CCN(CC=C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC000611664351 1026874150 /nfs/dbraw/zinc/87/41/50/1026874150.db2.gz BNAMCMFPQKQFLQ-GOSISDBHSA-N 1 0 349.906 4.107 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(C)cc2C)cc(OC)c1OC ZINC000237310375 1026920774 /nfs/dbraw/zinc/92/07/74/1026920774.db2.gz DPBHYAUWXKHEMZ-UHFFFAOYSA-N 1 0 325.452 4.339 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000153011024 1026937470 /nfs/dbraw/zinc/93/74/70/1026937470.db2.gz SYNKZYWOXNAXEW-IBGZPJMESA-N 1 0 326.484 4.063 20 30 EIEDRO Cn1c2ccccc2nc1[C@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000582689353 1026940322 /nfs/dbraw/zinc/94/03/22/1026940322.db2.gz NNULAOWCBHUQTP-OAQYLSRUSA-N 1 0 344.462 4.367 20 30 EIEDRO C=C(C)COc1cc(CNCCC[N@@H+]2CCCC[C@@H]2C)ccc1OC ZINC000060927216 1026977257 /nfs/dbraw/zinc/97/72/57/1026977257.db2.gz JHISUTLWNXRXDS-SFHVURJKSA-N 1 0 346.515 4.004 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000075800546 1027068132 /nfs/dbraw/zinc/06/81/32/1027068132.db2.gz ZXRPGCQYKNIILY-MRXNPFEDSA-N 1 0 339.435 4.264 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)cc1 ZINC000075800545 1027068342 /nfs/dbraw/zinc/06/83/42/1027068342.db2.gz ZXRPGCQYKNIILY-INIZCTEOSA-N 1 0 339.435 4.264 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342806762 1027073515 /nfs/dbraw/zinc/07/35/15/1027073515.db2.gz AXPGEEMRCHCAQE-FQEVSTJZSA-N 1 0 330.435 4.034 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000277845563 1027073825 /nfs/dbraw/zinc/07/38/25/1027073825.db2.gz XDJFHMWNCNJRKT-UHFFFAOYSA-N 1 0 345.462 4.196 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c(Cl)c1 ZINC000384310107 1027111348 /nfs/dbraw/zinc/11/13/48/1027111348.db2.gz KDKMSVPOHAWNFM-SFHVURJKSA-N 1 0 340.854 4.250 20 30 EIEDRO CCOc1cccc(/C=N\C[C@@H](c2ccccc2)[NH+]2CCCC2)c1O ZINC000255544124 1027226846 /nfs/dbraw/zinc/22/68/46/1027226846.db2.gz XDMBYVHNLIZMLZ-UQRWVXEISA-N 1 0 338.451 4.047 20 30 EIEDRO C=CCS(=O)(=O)CC[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000783531517 1027237476 /nfs/dbraw/zinc/23/74/76/1027237476.db2.gz JAEVVIDGGRYBFV-MRXNPFEDSA-N 1 0 343.920 4.008 20 30 EIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ncn1 ZINC000428351147 1027425938 /nfs/dbraw/zinc/42/59/38/1027425938.db2.gz NBYZVDDPPPICLE-MRXNPFEDSA-N 1 0 328.419 4.175 20 30 EIEDRO C=CCCC1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000474792312 1027515865 /nfs/dbraw/zinc/51/58/65/1027515865.db2.gz MBAZCPAWFCANLM-GOSISDBHSA-N 1 0 346.902 4.340 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1 ZINC000237722870 1027527792 /nfs/dbraw/zinc/52/77/92/1027527792.db2.gz HWVGUDTWAXWNSZ-UHFFFAOYSA-N 1 0 336.410 4.041 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000237744942 1027536754 /nfs/dbraw/zinc/53/67/54/1027536754.db2.gz MRWMWKUPTVHHRV-UHFFFAOYSA-N 1 0 341.426 4.186 20 30 EIEDRO C[N@H+](CC1(c2ccc(Br)cc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000429692284 1027548985 /nfs/dbraw/zinc/54/89/85/1027548985.db2.gz RWGQOVVWKYUYNT-CZUORRHYSA-N 1 0 333.273 4.105 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1cncc(Br)c1)c1ccccc1 ZINC000353903033 1027574938 /nfs/dbraw/zinc/57/49/38/1027574938.db2.gz VCDIEWOCJGSXDO-KRWDZBQOSA-N 1 0 344.256 4.369 20 30 EIEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2nc3ccccc3o2)C1 ZINC000329147206 1027607879 /nfs/dbraw/zinc/60/78/79/1027607879.db2.gz XQKUGDZYMLOOSA-OAHLLOKOSA-N 1 0 343.471 4.227 20 30 EIEDRO CC[C@H](C[N@H+](CC)CC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000186607597 1027655391 /nfs/dbraw/zinc/65/53/91/1027655391.db2.gz CZGYIJHTKVEJAB-OAHLLOKOSA-N 1 0 341.480 4.074 20 30 EIEDRO CC[C@H](CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000303792634 1027656299 /nfs/dbraw/zinc/65/62/99/1027656299.db2.gz YOVWNFBSTWGMRT-CYBMUJFWSA-N 1 0 331.847 4.269 20 30 EIEDRO C[N@H+](CCc1cccs1)Cc1cc(Br)ccc1C#N ZINC001141903034 1027670433 /nfs/dbraw/zinc/67/04/33/1027670433.db2.gz NQFDFCSTYOSIEZ-UHFFFAOYSA-N 1 0 335.270 4.057 20 30 EIEDRO NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)[C@@H]2CCCCS2)c1 ZINC000329258571 1027674151 /nfs/dbraw/zinc/67/41/51/1027674151.db2.gz AILBLVLZBRSSSL-CVEARBPZSA-N 1 0 347.484 4.060 20 30 EIEDRO Cc1[nH+]c2cc(NCc3cccc(OCCCC#N)c3)ccc2n1C ZINC000151976322 1027688178 /nfs/dbraw/zinc/68/81/78/1027688178.db2.gz JAKQHRCQZKSRBY-UHFFFAOYSA-N 1 0 334.423 4.176 20 30 EIEDRO CCCC[C@H](C)[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000582933257 1027714825 /nfs/dbraw/zinc/71/48/25/1027714825.db2.gz APNZGOGEBBOVFP-HNNXBMFYSA-N 1 0 335.879 4.097 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000280800587 1027719805 /nfs/dbraw/zinc/71/98/05/1027719805.db2.gz KPGKZSXVWKAYJA-UVWXRNBGSA-N 1 0 329.271 4.207 20 30 EIEDRO CCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC001168074707 1027734740 /nfs/dbraw/zinc/73/47/40/1027734740.db2.gz WZSDVOYBRKCKOZ-QGZVFWFLSA-N 1 0 335.451 4.106 20 30 EIEDRO C=CCCC1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000474893389 1027749455 /nfs/dbraw/zinc/74/94/55/1027749455.db2.gz CSJMGDMMUDZNLZ-GOSISDBHSA-N 1 0 340.511 4.281 20 30 EIEDRO C=CCCC1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000474893390 1027749943 /nfs/dbraw/zinc/74/99/43/1027749943.db2.gz CSJMGDMMUDZNLZ-SFHVURJKSA-N 1 0 340.511 4.281 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC000329387869 1027759573 /nfs/dbraw/zinc/75/95/73/1027759573.db2.gz RDFWNEQRLNRJCR-BHYGNILZSA-N 1 0 332.492 4.413 20 30 EIEDRO C=CCCC1(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000474901995 1027768068 /nfs/dbraw/zinc/76/80/68/1027768068.db2.gz WSSGRKZLPQPWKW-GOSISDBHSA-N 1 0 340.511 4.424 20 30 EIEDRO CC(C)[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000520433067 1027792903 /nfs/dbraw/zinc/79/29/03/1027792903.db2.gz DMXOWRJTZIKKCQ-HXUWFJFHSA-N 1 0 343.515 4.033 20 30 EIEDRO C=C(C)[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C)c1ccc(F)c(F)c1 ZINC000474932085 1027798136 /nfs/dbraw/zinc/79/81/36/1027798136.db2.gz SOFZBHWOXCLLHJ-TZOHYUNLSA-N 1 0 337.410 4.149 20 30 EIEDRO CCOc1cc2c(cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C)O[C@@H](C)C2 ZINC000328753402 1027804746 /nfs/dbraw/zinc/80/47/46/1027804746.db2.gz DGQIZKMAJZAKKY-GJZGRUSLSA-N 1 0 346.471 4.261 20 30 EIEDRO CCc1nn(C)c(CC)c1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000507747039 1027824809 /nfs/dbraw/zinc/82/48/09/1027824809.db2.gz HXHWAXBRMUFVIR-UHFFFAOYSA-N 1 0 338.499 4.075 20 30 EIEDRO CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328909371 1027834319 /nfs/dbraw/zinc/83/43/19/1027834319.db2.gz MRLHTCWEDKIMCK-LPHOPBHVSA-N 1 0 343.471 4.059 20 30 EIEDRO C=CCC[C@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000444609749 1027888573 /nfs/dbraw/zinc/88/85/73/1027888573.db2.gz NKDMCLRFRLDNLU-QFIPXVFZSA-N 1 0 348.490 4.259 20 30 EIEDRO C=C(C)C[C@@H](C)c1nc([C@@H]2CN(Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011217 1027898451 /nfs/dbraw/zinc/89/84/51/1027898451.db2.gz PAMJCVRBVYDGNW-NUJGCVRESA-N 1 0 341.455 4.101 20 30 EIEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(OC(C)(C)C)cc2)CC1 ZINC000330976732 1027909582 /nfs/dbraw/zinc/90/95/82/1027909582.db2.gz KGWVXIXHTTXKSR-UHFFFAOYSA-N 1 0 333.476 4.064 20 30 EIEDRO CC[NH+]1CCC(CCNC(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000330982642 1027909950 /nfs/dbraw/zinc/90/99/50/1027909950.db2.gz VRHIYPLCIREMHY-UHFFFAOYSA-N 1 0 344.286 4.002 20 30 EIEDRO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000444652147 1027924170 /nfs/dbraw/zinc/92/41/70/1027924170.db2.gz WRCBGBAXFYXUOV-MSOLQXFVSA-N 1 0 334.504 4.150 20 30 EIEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444676281 1027955199 /nfs/dbraw/zinc/95/51/99/1027955199.db2.gz NPLJJJVZRJACSA-GUYCJALGSA-N 1 0 333.863 4.051 20 30 EIEDRO CO[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1C ZINC000444677133 1027956149 /nfs/dbraw/zinc/95/61/49/1027956149.db2.gz VTCVTLBVKSOGQP-DENIHFKCSA-N 1 0 348.490 4.243 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444673235 1027958593 /nfs/dbraw/zinc/95/85/93/1027958593.db2.gz HHGQWAJGSKDQPS-MRXNPFEDSA-N 1 0 336.395 4.268 20 30 EIEDRO CCCCCCCOc1ccc(-c2noc([C@H]3[NH2+]C[C@H]4C[C@H]43)n2)cc1 ZINC001211566195 1028001396 /nfs/dbraw/zinc/00/13/96/1028001396.db2.gz ZUYIOTYKWRPQQE-NXHRZFHOSA-N 1 0 341.455 4.366 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(Cc3ccccc3F)CC2)ccc1F ZINC001167653282 1028044526 /nfs/dbraw/zinc/04/45/26/1028044526.db2.gz KHIAISLFKXDEQK-UHFFFAOYSA-N 1 0 326.390 4.291 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2cc(C)ncn2)C(C)(C)C)cc1 ZINC000428377853 1028096245 /nfs/dbraw/zinc/09/62/45/1028096245.db2.gz YGSDKPWWYFEWES-UHFFFAOYSA-N 1 0 325.456 4.151 20 30 EIEDRO O=C(Nc1csc(-c2ccccn2)n1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000329754787 1028112530 /nfs/dbraw/zinc/11/25/30/1028112530.db2.gz LAEHIGINGOZJOR-HNNXBMFYSA-N 1 0 342.468 4.200 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccccn1 ZINC000047687928 1028136931 /nfs/dbraw/zinc/13/69/31/1028136931.db2.gz HNALJZFLSHKERB-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1nc(-c2ccncc2)cs1 ZINC000329891662 1028149321 /nfs/dbraw/zinc/14/93/21/1028149321.db2.gz IEKSRUQYJGETPQ-MCIONIFRSA-N 1 0 344.484 4.095 20 30 EIEDRO Cc1c(C(=O)NC2CC([NH+]3CCCCC3)C2)cnn1C1CCCCC1 ZINC000330046365 1028191551 /nfs/dbraw/zinc/19/15/51/1028191551.db2.gz GVGUVUCVNYQETJ-UHFFFAOYSA-N 1 0 344.503 4.018 20 30 EIEDRO O=C(CN1CCC12CCC2)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330062125 1028193307 /nfs/dbraw/zinc/19/33/07/1028193307.db2.gz OXOJUHWXOKVDAU-UHFFFAOYSA-N 1 0 342.439 4.335 20 30 EIEDRO C=CCOc1cccc(CNCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000523527255 1028194917 /nfs/dbraw/zinc/19/49/17/1028194917.db2.gz AZZONMIUXFZIOC-GOSISDBHSA-N 1 0 338.495 4.470 20 30 EIEDRO COc1cc(C[N@H+](CC#Cc2cccc(Cl)c2)C2CC2)ccc1O ZINC000536375028 1028205731 /nfs/dbraw/zinc/20/57/31/1028205731.db2.gz YFOOQVGIUQBGMH-UHFFFAOYSA-N 1 0 341.838 4.070 20 30 EIEDRO COc1cc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)ccc1C#N ZINC000440621596 1028228760 /nfs/dbraw/zinc/22/87/60/1028228760.db2.gz YTUURKDIOUQBMW-INIZCTEOSA-N 1 0 334.341 4.003 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000091599431 1028231958 /nfs/dbraw/zinc/23/19/58/1028231958.db2.gz WSGNLVZHBRERMK-QGZVFWFLSA-N 1 0 326.484 4.033 20 30 EIEDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)N2CCCC2)o1 ZINC000346145291 1028278094 /nfs/dbraw/zinc/27/80/94/1028278094.db2.gz UXPAWCIEORGECB-KXBFYZLASA-N 1 0 341.430 4.087 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000280928388 1028278915 /nfs/dbraw/zinc/27/89/15/1028278915.db2.gz UVCCLSDTWIURTH-FSZRXZPDSA-N 1 0 330.497 4.359 20 30 EIEDRO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CC=CCC1 ZINC000346322187 1028373656 /nfs/dbraw/zinc/37/36/56/1028373656.db2.gz HUQJONAIWQHISR-GOSISDBHSA-N 1 0 334.467 4.252 20 30 EIEDRO N#CC1(CCC[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)CCOCC1 ZINC000281245849 1028473938 /nfs/dbraw/zinc/47/39/38/1028473938.db2.gz GMOMCELANXJSMC-RTWAWAEBSA-N 1 0 340.511 4.478 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000281335050 1028523753 /nfs/dbraw/zinc/52/37/53/1028523753.db2.gz MDBSKKGZGRBETF-SFHVURJKSA-N 1 0 334.410 4.272 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000281375047 1028576856 /nfs/dbraw/zinc/57/68/56/1028576856.db2.gz NZDQYVZKHLZCSL-OAHLLOKOSA-N 1 0 347.459 4.411 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N(CC)CC)cc1)c1ccc(C#N)cc1 ZINC000278218533 1028586798 /nfs/dbraw/zinc/58/67/98/1028586798.db2.gz ISRFHITZZXCVKC-NRFANRHFSA-N 1 0 349.478 4.281 20 30 EIEDRO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1nc2ccccc2[nH]1 ZINC000330350265 1028642480 /nfs/dbraw/zinc/64/24/80/1028642480.db2.gz KWEWSUDERGENPU-KBXCAEBGSA-N 1 0 340.471 4.378 20 30 EIEDRO Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000281497682 1028653623 /nfs/dbraw/zinc/65/36/23/1028653623.db2.gz GQBVHHLRFNYLKT-RBUKOAKNSA-N 1 0 335.451 4.108 20 30 EIEDRO C[C@H](CC[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000583421204 1028706183 /nfs/dbraw/zinc/70/61/83/1028706183.db2.gz OZOMSIFTECOFOR-MDMXATFFSA-N 1 0 349.478 4.427 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@@H](C)C1CCCCC1 ZINC000161706176 1028707837 /nfs/dbraw/zinc/70/78/37/1028707837.db2.gz VLHUTXTXAPQGER-IAGOWNOFSA-N 1 0 340.515 4.117 20 30 EIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444001359 1028720626 /nfs/dbraw/zinc/72/06/26/1028720626.db2.gz BTLGWTYNSRSWIJ-AUUYWEPGSA-N 1 0 328.843 4.386 20 30 EIEDRO CCOc1cc(C[NH2+]CC2CCC(C#N)CC2)cc(Cl)c1OC ZINC000281671091 1028828785 /nfs/dbraw/zinc/82/87/85/1028828785.db2.gz LOAHPDMULBAXJQ-UHFFFAOYSA-N 1 0 336.863 4.167 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000281747819 1028851519 /nfs/dbraw/zinc/85/15/19/1028851519.db2.gz QVBRIOUEPWNAHF-UHFFFAOYSA-N 1 0 325.225 4.008 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[NH2+][C@@H](c2cccnc2)C2CC2)cc1 ZINC000445805089 1028898994 /nfs/dbraw/zinc/89/89/94/1028898994.db2.gz GKTHXRFYTDSUKV-GOSISDBHSA-N 1 0 346.352 4.073 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000157318171 1029021839 /nfs/dbraw/zinc/02/18/39/1029021839.db2.gz CGNXTKPACJUVGS-IRLDBZIGSA-N 1 0 349.478 4.046 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1OCCOC)c1ccc(C#N)cc1 ZINC000278379151 1029047533 /nfs/dbraw/zinc/04/75/33/1029047533.db2.gz CWXIRTLGKZJHJI-HXUWFJFHSA-N 1 0 338.451 4.133 20 30 EIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000444245718 1029111012 /nfs/dbraw/zinc/11/10/12/1029111012.db2.gz SXALTXXARFRHBM-HXUWFJFHSA-N 1 0 349.478 4.148 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000522936670 1029117603 /nfs/dbraw/zinc/11/76/03/1029117603.db2.gz XAPAHPNIRXHULD-IBGZPJMESA-N 1 0 325.843 4.461 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccccc1Br)CC2 ZINC000583782411 1029169006 /nfs/dbraw/zinc/16/90/06/1029169006.db2.gz KWTCZGPKVIJCGI-SFHVURJKSA-N 1 0 341.252 4.140 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000042352844 1029177919 /nfs/dbraw/zinc/17/79/19/1029177919.db2.gz ABRIRLFAMDCXHY-UHFFFAOYSA-N 1 0 332.241 4.304 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157719418 1029192241 /nfs/dbraw/zinc/19/22/41/1029192241.db2.gz JSKVPEBXVFYCPV-GJZGRUSLSA-N 1 0 338.442 4.447 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc(C#N)ccc1F ZINC000101558962 1029219285 /nfs/dbraw/zinc/21/92/85/1029219285.db2.gz BYMSYSKUDXNQDK-UHFFFAOYSA-N 1 0 349.409 4.417 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000583826866 1029242717 /nfs/dbraw/zinc/24/27/17/1029242717.db2.gz DQHPRWNYZGNYNW-SNRMKQJTSA-N 1 0 332.463 4.212 20 30 EIEDRO CC(C)(CO)[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1 ZINC000583841410 1029262377 /nfs/dbraw/zinc/26/23/77/1029262377.db2.gz SYAJZFBORJMJMR-IBGZPJMESA-N 1 0 327.855 4.041 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1ncc(Cl)c(C)c1C#N)c1ccco1 ZINC000343445665 1029263517 /nfs/dbraw/zinc/26/35/17/1029263517.db2.gz XQXNIHFGQLNBBP-HNNXBMFYSA-N 1 0 332.835 4.003 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C1(c2ccccc2)CC1 ZINC000077378152 1029268575 /nfs/dbraw/zinc/26/85/75/1029268575.db2.gz DJVVWTIUZFIZNL-UHFFFAOYSA-N 1 0 338.476 4.182 20 30 EIEDRO C[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168056987 1029324356 /nfs/dbraw/zinc/32/43/56/1029324356.db2.gz LDOKSQDJNWPEFT-BBIADKPPSA-N 1 0 347.506 4.432 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000186294387 1029502847 /nfs/dbraw/zinc/50/28/47/1029502847.db2.gz ZPASONJVXRCIIP-UHFFFAOYSA-N 1 0 330.435 4.123 20 30 EIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441091710 1029565578 /nfs/dbraw/zinc/56/55/78/1029565578.db2.gz NMDSWKLMSXZMOY-QFBILLFUSA-N 1 0 347.462 4.011 20 30 EIEDRO C=CCCCCCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000525346496 1029580515 /nfs/dbraw/zinc/58/05/15/1029580515.db2.gz NCIPZCCRVFBBGF-UHFFFAOYSA-N 1 0 343.515 4.170 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CCOC2)cc1 ZINC000367360815 1029582396 /nfs/dbraw/zinc/58/23/96/1029582396.db2.gz LBJJVFGVAFJAEM-AZUAARDMSA-N 1 0 325.839 4.189 20 30 EIEDRO C=C(C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1)c1ccccc1 ZINC000446826115 1029592062 /nfs/dbraw/zinc/59/20/62/1029592062.db2.gz HLBXBKDLONYYIK-NRFANRHFSA-N 1 0 332.451 4.021 20 30 EIEDRO Cc1cc(N[C@@H]2CCC[C@H](C#N)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000193352368 1029613281 /nfs/dbraw/zinc/61/32/81/1029613281.db2.gz RBNJKHOABSNZKG-RBUKOAKNSA-N 1 0 340.515 4.020 20 30 EIEDRO N#CCCC[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446884341 1029630636 /nfs/dbraw/zinc/63/06/36/1029630636.db2.gz OXXDTPHCDCEWRX-CQSZACIVSA-N 1 0 327.653 4.447 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCCC[C@@H]2CC(C)C)CC1 ZINC000525438665 1029634738 /nfs/dbraw/zinc/63/47/38/1029634738.db2.gz KHFQGONSHWBVKJ-LJQANCHMSA-N 1 0 335.536 4.027 20 30 EIEDRO C[C@H]1CC([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@H](C)N1Cc1ccccc1 ZINC001168065493 1029649651 /nfs/dbraw/zinc/64/96/51/1029649651.db2.gz WVKCOWHLGPHQAB-JZTRKIHISA-N 1 0 337.511 4.195 20 30 EIEDRO CCC[N@H+](CCc1ccccn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000575376631 1029649866 /nfs/dbraw/zinc/64/98/66/1029649866.db2.gz ZHLFUFWYJOVXOB-UHFFFAOYSA-N 1 0 347.384 4.427 20 30 EIEDRO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000193009167 1029657160 /nfs/dbraw/zinc/65/71/60/1029657160.db2.gz KSAZOUFRYCEAAT-KGLIPLIRSA-N 1 0 328.387 4.148 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301452152 1029736376 /nfs/dbraw/zinc/73/63/76/1029736376.db2.gz UMMIQVFYJBUSKZ-UHFFFAOYSA-N 1 0 343.349 4.066 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN(c3ccccc3)C1)CC2 ZINC000584439872 1029868900 /nfs/dbraw/zinc/86/89/00/1029868900.db2.gz QBFBIIJLBOVAHA-AVRDEDQJSA-N 1 0 331.463 4.052 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000584439700 1029870222 /nfs/dbraw/zinc/87/02/22/1029870222.db2.gz JCGLRRSEPCEVST-HXUWFJFHSA-N 1 0 348.446 4.291 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000584440364 1029873873 /nfs/dbraw/zinc/87/38/73/1029873873.db2.gz PAKKEHUYQLJWCV-CYBMUJFWSA-N 1 0 348.368 4.306 20 30 EIEDRO Cc1ccccc1[C@H]([NH2+]C1CCN(CC#N)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000611864423 1029875930 /nfs/dbraw/zinc/87/59/30/1029875930.db2.gz WGRVOYAMHTZXFG-ZWCUEREDSA-N 1 0 339.527 4.440 20 30 EIEDRO Cc1ccccc1[C@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000611864421 1029876080 /nfs/dbraw/zinc/87/60/80/1029876080.db2.gz WGRVOYAMHTZXFG-LRXVAGHRSA-N 1 0 339.527 4.440 20 30 EIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)c1 ZINC000525784082 1030017239 /nfs/dbraw/zinc/01/72/39/1030017239.db2.gz YUOZVIJPSBIEIM-NRFANRHFSA-N 1 0 344.462 4.214 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450848807 1030037923 /nfs/dbraw/zinc/03/79/23/1030037923.db2.gz VIAUYYSIZLBZEB-ROUUACIJSA-N 1 0 349.881 4.286 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 ZINC000610270670 1030043499 /nfs/dbraw/zinc/04/34/99/1030043499.db2.gz WYKOXDMUHZQJHQ-MYJAWHEDSA-N 1 0 340.267 4.150 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000525833316 1030054060 /nfs/dbraw/zinc/05/40/60/1030054060.db2.gz AUFPLXMNWJOLBD-UHFFFAOYSA-N 1 0 341.842 4.086 20 30 EIEDRO CN(CCC(C)(C)C#N)[C@@H]1CCCC[C@H]1[N@H+](C)CCC(C)(C)C#N ZINC000546629241 1030062181 /nfs/dbraw/zinc/06/21/81/1030062181.db2.gz OTNMWQHDJKNPIN-QZTJIDSGSA-N 1 0 332.536 4.041 20 30 EIEDRO C#CCCCCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000367383038 1030099745 /nfs/dbraw/zinc/09/97/45/1030099745.db2.gz AZGQXSDKDFYXOF-YLJYHZDGSA-N 1 0 346.902 4.033 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000447530248 1030124205 /nfs/dbraw/zinc/12/42/05/1030124205.db2.gz NVVVYXBZYVSNCG-DNVCBOLYSA-N 1 0 338.451 4.247 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)o1 ZINC000447528498 1030125334 /nfs/dbraw/zinc/12/53/34/1030125334.db2.gz HUDARFFJOYUOCA-PBHICJAKSA-N 1 0 341.430 4.227 20 30 EIEDRO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000450958354 1030134952 /nfs/dbraw/zinc/13/49/52/1030134952.db2.gz MYYGVAFEHCPPSO-OTWHNJEPSA-N 1 0 332.875 4.117 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](c1ccco1)N(CC)CC)c1ccc(C#N)cc1 ZINC000447545941 1030151509 /nfs/dbraw/zinc/15/15/09/1030151509.db2.gz ZIMYZYIPAFEYHC-OALUTQOASA-N 1 0 325.456 4.275 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450980478 1030158668 /nfs/dbraw/zinc/15/86/68/1030158668.db2.gz FCYANIBEJWOJRG-NQIIRXRSSA-N 1 0 341.499 4.007 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cccc(Cn2ccnc2)c1)c1ccc(C#N)cc1 ZINC000447562530 1030171585 /nfs/dbraw/zinc/17/15/85/1030171585.db2.gz LTTXMKNVEZDXEB-OAQYLSRUSA-N 1 0 330.435 4.044 20 30 EIEDRO N#CCSCCC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451015362 1030181884 /nfs/dbraw/zinc/18/18/84/1030181884.db2.gz JSCMOUMARNZSLC-OAHLLOKOSA-N 1 0 334.876 4.000 20 30 EIEDRO COCCCC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccccc1 ZINC000348325374 1030183942 /nfs/dbraw/zinc/18/39/42/1030183942.db2.gz HNRWXPSOULVPDR-FQEVSTJZSA-N 1 0 338.451 4.214 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000447595897 1030199938 /nfs/dbraw/zinc/19/99/38/1030199938.db2.gz AYMZFALKDXOHLL-WTNAPCKOSA-N 1 0 333.479 4.119 20 30 EIEDRO C=C[C@H](CC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000760139038 1030232648 /nfs/dbraw/zinc/23/26/48/1030232648.db2.gz NGDLGRCEWLOUBE-HXUWFJFHSA-N 1 0 336.479 4.067 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc(C)c1OCC(F)(F)F ZINC000429724544 1030239367 /nfs/dbraw/zinc/23/93/67/1030239367.db2.gz MYMZTKZSTXDNKI-GDBMZVCRSA-N 1 0 340.389 4.369 20 30 EIEDRO C/C(=C/c1ccccc1)C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000526082807 1030261427 /nfs/dbraw/zinc/26/14/27/1030261427.db2.gz QUCSBZWQZAXFES-VKAVYKQESA-N 1 0 347.462 4.336 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000526082874 1030262740 /nfs/dbraw/zinc/26/27/40/1030262740.db2.gz CUKGHUXNUUMCFX-UHFFFAOYSA-N 1 0 347.871 4.148 20 30 EIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000451178820 1030284214 /nfs/dbraw/zinc/28/42/14/1030284214.db2.gz BCTMAIQTRXFACZ-HLIPFELVSA-N 1 0 347.462 4.153 20 30 EIEDRO CC[C@@H](C)c1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000526135886 1030293259 /nfs/dbraw/zinc/29/32/59/1030293259.db2.gz OVJQSNGXYMFDTE-UZLBHIALSA-N 1 0 341.499 4.049 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1ccc(OC)cc1OCc1cccnc1 ZINC000447733136 1030313270 /nfs/dbraw/zinc/31/32/70/1030313270.db2.gz WSGMVJINNYEMAC-UHFFFAOYSA-N 1 0 326.440 4.067 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCOc3c(C)cccc32)cc(OC)c1O ZINC000188876276 1030430374 /nfs/dbraw/zinc/43/03/74/1030430374.db2.gz GVVHRIFRYJOEBJ-GOSISDBHSA-N 1 0 339.435 4.051 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000530458114 1030431569 /nfs/dbraw/zinc/43/15/69/1030431569.db2.gz USKXHCFXAHHBCJ-UHFFFAOYSA-N 1 0 337.467 4.399 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000451418151 1030480545 /nfs/dbraw/zinc/48/05/45/1030480545.db2.gz MEORTLBNGUXZGY-DNVJHFABSA-N 1 0 346.474 4.351 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000657918558 1030585071 /nfs/dbraw/zinc/58/50/71/1030585071.db2.gz FFZJJTOFCQVJLM-DOTOQJQBSA-N 1 0 327.497 4.472 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000191445707 1030625367 /nfs/dbraw/zinc/62/53/67/1030625367.db2.gz LIWNCSXCOIDIQB-FUHWJXTLSA-N 1 0 343.515 4.485 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000527324269 1030629453 /nfs/dbraw/zinc/62/94/53/1030629453.db2.gz ILVSZOOWNOCRES-UHFFFAOYSA-N 1 0 347.418 4.179 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000191661390 1030632336 /nfs/dbraw/zinc/63/23/36/1030632336.db2.gz HOJALPBVOLALRR-FQEVSTJZSA-N 1 0 336.435 4.242 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)c1 ZINC000115621525 1030689232 /nfs/dbraw/zinc/68/92/32/1030689232.db2.gz DKPQNYAWOICQQV-FQEVSTJZSA-N 1 0 349.478 4.128 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C)c(F)c2)cc1OCCCC#N ZINC000064613769 1030716414 /nfs/dbraw/zinc/71/64/14/1030716414.db2.gz NOTHNQUIRJOVKI-UHFFFAOYSA-N 1 0 342.414 4.115 20 30 EIEDRO C=CCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000527489888 1030726941 /nfs/dbraw/zinc/72/69/41/1030726941.db2.gz YGOFJIJKIBGPCO-CQSZACIVSA-N 1 0 348.244 4.212 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000610451557 1030815412 /nfs/dbraw/zinc/81/54/12/1030815412.db2.gz UOURPGWVSKMFKN-OALUTQOASA-N 1 0 333.479 4.216 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccccc3Cl)CCOCC2)cc1 ZINC000527810494 1030855414 /nfs/dbraw/zinc/85/54/14/1030855414.db2.gz JBSNHIIXJGSISY-UHFFFAOYSA-N 1 0 326.827 4.007 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000103469732 1030890874 /nfs/dbraw/zinc/89/08/74/1030890874.db2.gz VFQNMDRYRWLTQT-NRFANRHFSA-N 1 0 345.446 4.039 20 30 EIEDRO N#Cc1cccc(CC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000531147782 1030924797 /nfs/dbraw/zinc/92/47/97/1030924797.db2.gz HRHZTKXYAMHQPS-UHFFFAOYSA-N 1 0 347.462 4.115 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1 ZINC000612131520 1031011518 /nfs/dbraw/zinc/01/15/18/1031011518.db2.gz QZQSUSUFDQGDEH-QFIPXVFZSA-N 1 0 346.474 4.474 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610829771 1031031419 /nfs/dbraw/zinc/03/14/19/1031031419.db2.gz JUWCTSRIPBGWEE-DLBZAZTESA-N 1 0 335.451 4.243 20 30 EIEDRO C[C@@H]1CN(CCC2(C#N)CCCCC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001168194008 1031032460 /nfs/dbraw/zinc/03/24/60/1031032460.db2.gz XFDJFFGAPFLYRB-VQTJNVASSA-N 1 0 339.527 4.445 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1cccc(C#N)c1 ZINC000610830104 1031033844 /nfs/dbraw/zinc/03/38/44/1031033844.db2.gz DKSYKYNSJNXASQ-SJORKVTESA-N 1 0 330.435 4.215 20 30 EIEDRO CCC(C#N)(CC)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000528019298 1031065573 /nfs/dbraw/zinc/06/55/73/1031065573.db2.gz SWMCGQLPNYZUBB-UHFFFAOYSA-N 1 0 327.472 4.187 20 30 EIEDRO N#Cc1csc(CNc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000610910361 1031067693 /nfs/dbraw/zinc/06/76/93/1031067693.db2.gz QNKDUBHVOYGOPE-UHFFFAOYSA-N 1 0 325.481 4.260 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000179579333 1031219191 /nfs/dbraw/zinc/21/91/91/1031219191.db2.gz KKRPBFLPZABPOH-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000532549707 1031263982 /nfs/dbraw/zinc/26/39/82/1031263982.db2.gz OWYIQSAECSTSPA-OCCSQVGLSA-N 1 0 338.879 4.176 20 30 EIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CCC(C)CC1)CC2 ZINC001168210236 1031274698 /nfs/dbraw/zinc/27/46/98/1031274698.db2.gz JWKFDDOQQYGQCM-UHFFFAOYSA-N 1 0 334.504 4.066 20 30 EIEDRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc(C#N)cc1F ZINC000532568024 1031301050 /nfs/dbraw/zinc/30/10/50/1031301050.db2.gz PBDUMHRMBYXORM-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000532572080 1031305401 /nfs/dbraw/zinc/30/54/01/1031305401.db2.gz AWFYFOXEAJIJAF-CQSZACIVSA-N 1 0 345.512 4.114 20 30 EIEDRO N#Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1C(F)(F)F ZINC000167238032 1031355580 /nfs/dbraw/zinc/35/55/80/1031355580.db2.gz ZNBWXYGZYAEAHX-FZKQIMNGSA-N 1 0 349.400 4.030 20 30 EIEDRO N#Cc1ccc(CN(Cc2cccnc2C(F)(F)F)C2CC2)cc1 ZINC000528360082 1031435443 /nfs/dbraw/zinc/43/54/43/1031435443.db2.gz MHQCDRDOHHEMHG-UHFFFAOYSA-N 1 0 331.341 4.137 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000449081884 1031437152 /nfs/dbraw/zinc/43/71/52/1031437152.db2.gz ITWXGDDTOSXQCR-FHTBDLFWSA-N 1 0 340.471 4.094 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccnc(OC3CCCCC3)c2)CC1 ZINC000449105676 1031447078 /nfs/dbraw/zinc/44/70/78/1031447078.db2.gz DYMFKAYMXZUPCE-UHFFFAOYSA-N 1 0 327.472 4.355 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000449091993 1031452110 /nfs/dbraw/zinc/45/21/10/1031452110.db2.gz KWPYBBLMCQVQHX-GNHJJJEISA-N 1 0 349.272 4.335 20 30 EIEDRO C=CCSCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449131403 1031466421 /nfs/dbraw/zinc/46/64/21/1031466421.db2.gz MKAAWEMJZNDSJX-UHFFFAOYSA-N 1 0 337.286 4.006 20 30 EIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+]C2CCC(C)(C#N)CC2)ccn1 ZINC000449145109 1031478738 /nfs/dbraw/zinc/47/87/38/1031478738.db2.gz WBWYYZFKOYETLD-VQSBYGRUSA-N 1 0 329.488 4.457 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000449165652 1031507577 /nfs/dbraw/zinc/50/75/77/1031507577.db2.gz WUQBNAXEMAQANO-WUJZJPHMSA-N 1 0 331.891 4.371 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CCN1Cc1ccccc1 ZINC000449179796 1031519903 /nfs/dbraw/zinc/51/99/03/1031519903.db2.gz XEUBRDNIDWPBBM-RCKXYERXSA-N 1 0 325.500 4.102 20 30 EIEDRO CN1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000449212960 1031539654 /nfs/dbraw/zinc/53/96/54/1031539654.db2.gz JNHFQVYGFTXPLF-IAFLDTSXSA-N 1 0 331.891 4.147 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000528449828 1031540963 /nfs/dbraw/zinc/54/09/63/1031540963.db2.gz RGDFOZCEOJBFEJ-UHFFFAOYSA-N 1 0 348.446 4.356 20 30 EIEDRO CN1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000449202440 1031545701 /nfs/dbraw/zinc/54/57/01/1031545701.db2.gz FJFPMFDSEKYFDE-NBLCHNQSSA-N 1 0 349.881 4.286 20 30 EIEDRO CN1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000449202438 1031547498 /nfs/dbraw/zinc/54/74/98/1031547498.db2.gz FJFPMFDSEKYFDE-MJGSYPLASA-N 1 0 349.881 4.286 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000449219898 1031552604 /nfs/dbraw/zinc/55/26/04/1031552604.db2.gz OTPMHIYBIJDQIE-FUHYEJFZSA-N 1 0 347.462 4.428 20 30 EIEDRO CC[C@@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000365247238 1031577799 /nfs/dbraw/zinc/57/77/99/1031577799.db2.gz ZXHWKLSEOORMMV-NHCUHLMSSA-N 1 0 348.425 4.261 20 30 EIEDRO Cc1ccc(-c2noc([C@H](C)[NH2+]C3CCC(C)(C#N)CC3)n2)cc1F ZINC000449278728 1031588839 /nfs/dbraw/zinc/58/88/39/1031588839.db2.gz LSCDFFRCHYSFNI-XIWWETDGSA-N 1 0 342.418 4.307 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1ccnc(C#N)c1 ZINC000612504625 1031593278 /nfs/dbraw/zinc/59/32/78/1031593278.db2.gz FAWHDZYBPDKSPU-ZDUSSCGKSA-N 1 0 334.448 4.236 20 30 EIEDRO Cn1cc(C[NH2+]CCC(c2ccccc2)c2ccccc2)cc1C#N ZINC000480651262 1031607933 /nfs/dbraw/zinc/60/79/33/1031607933.db2.gz VQNVGHRKUMDUTK-UHFFFAOYSA-N 1 0 329.447 4.209 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 ZINC000548935953 1031613804 /nfs/dbraw/zinc/61/38/04/1031613804.db2.gz DRYLTHFIPPWGFB-NSHDSACASA-N 1 0 348.233 4.154 20 30 EIEDRO CC(C)(C)CCOc1cnccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449331817 1031629307 /nfs/dbraw/zinc/62/93/07/1031629307.db2.gz PLBWDWSLPDFAPQ-UHFFFAOYSA-N 1 0 329.488 4.459 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449318558 1031633340 /nfs/dbraw/zinc/63/33/40/1031633340.db2.gz HCUFSQVJVGBBSD-MFXISEHGSA-N 1 0 326.484 4.400 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000449349531 1031645920 /nfs/dbraw/zinc/64/59/20/1031645920.db2.gz QHBNMQFXTVUSBG-HNNXBMFYSA-N 1 0 339.395 4.128 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)cc(OC)c1O ZINC000449374162 1031671784 /nfs/dbraw/zinc/67/17/84/1031671784.db2.gz XPMKZHGCQQISLW-CQSZACIVSA-N 1 0 329.415 4.428 20 30 EIEDRO CC(C)(C)OC(=O)CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000449358128 1031678503 /nfs/dbraw/zinc/67/85/03/1031678503.db2.gz DXJYGXIXGBFAJL-IPMKNSEASA-N 1 0 342.483 4.001 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCCC2(F)F)cc(OC)c1O ZINC000449380866 1031691352 /nfs/dbraw/zinc/69/13/52/1031691352.db2.gz XDUOMWBQNUNUQT-HNNXBMFYSA-N 1 0 325.399 4.044 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1OCCC(C)C ZINC000449444923 1031738921 /nfs/dbraw/zinc/73/89/21/1031738921.db2.gz FKEPNVOTHVBTKK-WMZOPIPTSA-N 1 0 330.472 4.292 20 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/nfs/dbraw/zinc/81/59/76/1031815976.db2.gz XPGGJCRXCVHUGT-PGUXBMHVSA-N 1 0 337.236 4.247 20 30 EIEDRO COc1ncc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1Cl ZINC000453300588 1031818550 /nfs/dbraw/zinc/81/85/50/1031818550.db2.gz WIGUGVLYWWHOAI-SFHVURJKSA-N 1 0 341.842 4.173 20 30 EIEDRO COCC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000449552084 1031841313 /nfs/dbraw/zinc/84/13/13/1031841313.db2.gz HZZVCIAWNQSQRS-COXVUDFISA-N 1 0 340.389 4.455 20 30 EIEDRO CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000528774041 1031845096 /nfs/dbraw/zinc/84/50/96/1031845096.db2.gz KPECHGHEFOTQIR-LJQANCHMSA-N 1 0 344.474 4.494 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000130762498 1031846543 /nfs/dbraw/zinc/84/65/43/1031846543.db2.gz SOOOBJPLSRCOKL-UHFFFAOYSA-N 1 0 349.478 4.081 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000453322913 1031850161 /nfs/dbraw/zinc/85/01/61/1031850161.db2.gz AGXPYKHBFCEVCI-XZJROXQQSA-N 1 0 332.444 4.252 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000453338730 1031861997 /nfs/dbraw/zinc/86/19/97/1031861997.db2.gz CPHUEPHEXJYCBR-QFBILLFUSA-N 1 0 325.452 4.340 20 30 EIEDRO C=CCC1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000453386436 1031897075 /nfs/dbraw/zinc/89/70/75/1031897075.db2.gz VJOCSYDGKSZZJT-ICSRJNTNSA-N 1 0 327.516 4.018 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)cc1F ZINC000453392055 1031956839 /nfs/dbraw/zinc/95/68/39/1031956839.db2.gz UFPOKAQEOUXQEZ-MGPUTAFESA-N 1 0 342.389 4.094 20 30 EIEDRO C=CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000663875694 1033476273 /nfs/dbraw/zinc/47/62/73/1033476273.db2.gz YIWFBRRKXMESSH-MRXNPFEDSA-N 1 0 349.544 4.004 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1F)c1ccc(C#N)cc1F ZINC000512612557 1033493203 /nfs/dbraw/zinc/49/32/03/1033493203.db2.gz PGJFPQDVOSCIIP-CYBMUJFWSA-N 1 0 332.419 4.420 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512612810 1033495897 /nfs/dbraw/zinc/49/58/97/1033495897.db2.gz PYUMPRCWXSRADF-SGTLLEGYSA-N 1 0 332.806 4.389 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(Br)cs1)c1ccc(C#N)cc1F ZINC000512621265 1033511689 /nfs/dbraw/zinc/51/16/89/1033511689.db2.gz WAOZIAKDAQOJGF-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000512626606 1033540693 /nfs/dbraw/zinc/54/06/93/1033540693.db2.gz VNJMOUMKGBUHBV-ZBFHGGJFSA-N 1 0 341.405 4.014 20 30 EIEDRO CC(C)(C#N)c1ccc(CN2CCO[C@H](c3ccccc3F)C2)cc1 ZINC000614166777 1033550426 /nfs/dbraw/zinc/55/04/26/1033550426.db2.gz OLMUECGRTNNQQP-FQEVSTJZSA-N 1 0 338.426 4.200 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000614168821 1033556804 /nfs/dbraw/zinc/55/68/04/1033556804.db2.gz WGQRZGBFDLBTCH-FQEVSTJZSA-N 1 0 326.484 4.411 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000614169842 1033560264 /nfs/dbraw/zinc/56/02/64/1033560264.db2.gz XAGIGKFSTPMPPW-JOCHJYFZSA-N 1 0 348.490 4.360 20 30 EIEDRO COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512635167 1033572068 /nfs/dbraw/zinc/57/20/68/1033572068.db2.gz GIXDPVFWUQLIAB-CABCVRRESA-N 1 0 342.414 4.072 20 30 EIEDRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512635169 1033573655 /nfs/dbraw/zinc/57/36/55/1033573655.db2.gz GIXDPVFWUQLIAB-HUUCEWRRSA-N 1 0 342.414 4.072 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000614179323 1033609337 /nfs/dbraw/zinc/60/93/37/1033609337.db2.gz OKMBNQLXCMYBPY-CTNGQTDRSA-N 1 0 334.463 4.355 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccccc1 ZINC000433011572 1033637594 /nfs/dbraw/zinc/63/75/94/1033637594.db2.gz GQMAHOLZQOEBMU-IBGZPJMESA-N 1 0 340.398 4.217 20 30 EIEDRO CC(C)N(C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433020374 1033667653 /nfs/dbraw/zinc/66/76/53/1033667653.db2.gz RSHYORSXPLYKPZ-OAQYLSRUSA-N 1 0 349.478 4.453 20 30 EIEDRO Cn1c2ccccc2nc1CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433025591 1033686267 /nfs/dbraw/zinc/68/62/67/1033686267.db2.gz LXKJISLLPAYRAN-GOSISDBHSA-N 1 0 332.451 4.141 20 30 EIEDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433033738 1033690413 /nfs/dbraw/zinc/69/04/13/1033690413.db2.gz WOWUDEWXGRTNGS-SFHVURJKSA-N 1 0 339.395 4.128 20 30 EIEDRO CC(C)C1CCC([N@H+](C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000433158312 1033955860 /nfs/dbraw/zinc/95/58/60/1033955860.db2.gz JKVCJRGSIUXLKU-UHFFFAOYSA-N 1 0 333.501 4.095 20 30 EIEDRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512797441 1033964451 /nfs/dbraw/zinc/96/44/51/1033964451.db2.gz OJDBKRXTKYEKCP-AWEZNQCLSA-N 1 0 342.389 4.441 20 30 EIEDRO C[C@H](c1ccccc1F)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512795988 1033964481 /nfs/dbraw/zinc/96/44/81/1033964481.db2.gz CLOBVYGCTFYHLC-CQSZACIVSA-N 1 0 342.389 4.441 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3cccc(Cl)c3)CC2)c(F)c1 ZINC000512812387 1033999395 /nfs/dbraw/zinc/99/93/95/1033999395.db2.gz SZHPBOUNXKIXLF-UHFFFAOYSA-N 1 0 344.817 4.394 20 30 EIEDRO OCC1([C@H]([NH2+]CC#Cc2ccccc2Cl)c2ccccc2)CCC1 ZINC000433289820 1034179044 /nfs/dbraw/zinc/17/90/44/1034179044.db2.gz RCILPEDUYJQYDP-HXUWFJFHSA-N 1 0 339.866 4.185 20 30 EIEDRO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419319701 1034252454 /nfs/dbraw/zinc/25/24/54/1034252454.db2.gz CYPRVXTWKBXKAB-IRXDYDNUSA-N 1 0 338.455 4.255 20 30 EIEDRO Cc1ccc(CC(C)(C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000419337617 1034357892 /nfs/dbraw/zinc/35/78/92/1034357892.db2.gz REUDQEHULVUPME-UHFFFAOYSA-N 1 0 346.434 4.028 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Br)cc1F ZINC000513089692 1034533817 /nfs/dbraw/zinc/53/38/17/1034533817.db2.gz PDMMFMCUIOQSLC-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000614403361 1034550943 /nfs/dbraw/zinc/55/09/43/1034550943.db2.gz UQEVNUQFJGOHOQ-KRWDZBQOSA-N 1 0 326.827 4.173 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1ccc(C#N)cc1 ZINC000500975572 1034644241 /nfs/dbraw/zinc/64/42/41/1034644241.db2.gz GSVAALBWVYKOBY-HNNXBMFYSA-N 1 0 336.435 4.364 20 30 EIEDRO C=CCOc1cccc(NC(=O)c2ccc(C[NH+](CC)CC)cc2)c1 ZINC000513156419 1034721400 /nfs/dbraw/zinc/72/14/00/1034721400.db2.gz SJUUHNVRMJPDFF-UHFFFAOYSA-N 1 0 338.451 4.346 20 30 EIEDRO COc1cc(C[NH2+]CC2(CC#N)CC2)c(-c2ccccc2)cc1OC ZINC000430002216 1034847667 /nfs/dbraw/zinc/84/76/67/1034847667.db2.gz GJDCZTGOYFRYTA-UHFFFAOYSA-N 1 0 336.435 4.154 20 30 EIEDRO COc1ccc(C#N)cc1NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000513351341 1034888272 /nfs/dbraw/zinc/88/82/72/1034888272.db2.gz LBXYFLUTJJYDNS-BEFAXECRSA-N 1 0 327.472 4.022 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)s1 ZINC000513381493 1034898661 /nfs/dbraw/zinc/89/86/61/1034898661.db2.gz RMBJBEUBRSDBPC-UHFFFAOYSA-N 1 0 338.476 4.499 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1)C(C)C ZINC000434032373 1035070106 /nfs/dbraw/zinc/07/01/06/1035070106.db2.gz RICZWWJTMJPCDX-LJQANCHMSA-N 1 0 341.499 4.071 20 30 EIEDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000513647618 1035086725 /nfs/dbraw/zinc/08/67/25/1035086725.db2.gz KWVFIBKIIBGBBX-ZBFHGGJFSA-N 1 0 338.451 4.166 20 30 EIEDRO C[C@@]1(O)CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000280094695 1035153658 /nfs/dbraw/zinc/15/36/58/1035153658.db2.gz OPYLFBAHGFWXIU-JOCHJYFZSA-N 1 0 348.490 4.123 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280168638 1035192546 /nfs/dbraw/zinc/19/25/46/1035192546.db2.gz FTKFHXMSXAHOMM-IXPVHAAZSA-N 1 0 346.780 4.064 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000280706432 1035327656 /nfs/dbraw/zinc/32/76/56/1035327656.db2.gz CXBNWVWLNLEDIE-WWMYMODYSA-N 1 0 344.499 4.098 20 30 EIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2OC)cc1 ZINC000501261262 1035407570 /nfs/dbraw/zinc/40/75/70/1035407570.db2.gz ZGWPCQUVHLSKOA-FQEVSTJZSA-N 1 0 336.435 4.303 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000513712391 1035421796 /nfs/dbraw/zinc/42/17/96/1035421796.db2.gz BTHAHXKIMVSJCX-JYPHPWERSA-N 1 0 330.447 4.366 20 30 EIEDRO COc1ccccc1C[C@@H](C)[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000501539731 1035461999 /nfs/dbraw/zinc/46/19/99/1035461999.db2.gz OAZBZJCIMXHOOD-GOSISDBHSA-N 1 0 334.463 4.432 20 30 EIEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513718142 1035482083 /nfs/dbraw/zinc/48/20/83/1035482083.db2.gz VOAWCQKBQBTKCV-KSFYIVLOSA-N 1 0 331.463 4.050 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000237086499 1035500766 /nfs/dbraw/zinc/50/07/66/1035500766.db2.gz RAVMHFJXAURTCN-OAHLLOKOSA-N 1 0 326.465 4.148 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cccc(Cl)c3)CCOCC2)c1 ZINC000594984661 1035513355 /nfs/dbraw/zinc/51/33/55/1035513355.db2.gz PWFGAOYGYWRDLT-UHFFFAOYSA-N 1 0 326.827 4.007 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(Cl)c(F)c3)CCOCC2)c1 ZINC000594983218 1035516509 /nfs/dbraw/zinc/51/65/09/1035516509.db2.gz IDMCWKIPABHBRG-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO COC[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000595055466 1035535914 /nfs/dbraw/zinc/53/59/14/1035535914.db2.gz FBYFIGOZCYJWLS-GOSISDBHSA-N 1 0 348.368 4.097 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055823 1035538141 /nfs/dbraw/zinc/53/81/41/1035538141.db2.gz JYWBSTUBNKKTTH-CQSZACIVSA-N 1 0 348.475 4.279 20 30 EIEDRO C#CCCCC[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000151166579 1035543693 /nfs/dbraw/zinc/54/36/93/1035543693.db2.gz AMVPBNBGXXVQIP-UHFFFAOYSA-N 1 0 339.483 4.207 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cncc(Br)c1 ZINC000595042173 1035564614 /nfs/dbraw/zinc/56/46/14/1035564614.db2.gz JUEDARPLSDNYGZ-APPDUMDISA-N 1 0 342.240 4.054 20 30 EIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000485008036 1035575507 /nfs/dbraw/zinc/57/55/07/1035575507.db2.gz UMAUGJLCUYLZET-HNNXBMFYSA-N 1 0 347.418 4.292 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000237092383 1035579692 /nfs/dbraw/zinc/57/96/92/1035579692.db2.gz PIWBNSSCFUSUJQ-HNNXBMFYSA-N 1 0 326.465 4.148 20 30 EIEDRO C[C@H](O)[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000595104257 1035587671 /nfs/dbraw/zinc/58/76/71/1035587671.db2.gz RKKTXAHXFUBCAQ-SWYDAUSRSA-N 1 0 334.463 4.102 20 30 EIEDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000595086323 1035590430 /nfs/dbraw/zinc/59/04/30/1035590430.db2.gz MOFOWDFALXMYTN-NNWRFLSQSA-N 1 0 348.494 4.060 20 30 EIEDRO CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000595094086 1035604556 /nfs/dbraw/zinc/60/45/56/1035604556.db2.gz BWGVPPOICPOKOU-VHKYSDTDSA-N 1 0 326.415 4.106 20 30 EIEDRO C[N@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000595299025 1035623819 /nfs/dbraw/zinc/62/38/19/1035623819.db2.gz VEVBEYOZLIONPF-VXKWHMMOSA-N 1 0 334.463 4.200 20 30 EIEDRO N#Cc1csc(C[N@@H+](CCc2ccc(F)cc2)C2CCCC2)n1 ZINC000574968340 1035644025 /nfs/dbraw/zinc/64/40/25/1035644025.db2.gz QZWLEQQITZVJNA-UHFFFAOYSA-N 1 0 329.444 4.141 20 30 EIEDRO CC(C)n1cc(C2=CCC[N@H+](CCCCC(C)(C)C#N)CC2)nn1 ZINC000595520815 1035693360 /nfs/dbraw/zinc/69/33/60/1035693360.db2.gz FHBYQQKHWJZVSN-UHFFFAOYSA-N 1 0 329.492 4.058 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1coc(-c3ccc(F)cc3)n1)CC2 ZINC000575221432 1035728753 /nfs/dbraw/zinc/72/87/53/1035728753.db2.gz UKZSFFCSOYYXCY-FQEVSTJZSA-N 1 0 347.393 4.172 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccc(Br)cc32)C1 ZINC000595619406 1035737313 /nfs/dbraw/zinc/73/73/13/1035737313.db2.gz AGBXNTUVUMLKAZ-GUYCJALGSA-N 1 0 333.273 4.452 20 30 EIEDRO CC(C)(C#N)CCC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595711450 1035771647 /nfs/dbraw/zinc/77/16/47/1035771647.db2.gz GRTVWPFQHWEJAV-UHFFFAOYSA-N 1 0 325.481 4.498 20 30 EIEDRO C=CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)(C)C ZINC000595764786 1035777838 /nfs/dbraw/zinc/77/78/38/1035777838.db2.gz CTUSDJUUCVRWON-OAHLLOKOSA-N 1 0 345.512 4.306 20 30 EIEDRO N#CC1(CCC[N@@H+](Cc2ccccc2F)CC2CC2)CCOCC1 ZINC000595766734 1035778170 /nfs/dbraw/zinc/77/81/70/1035778170.db2.gz ITPZORRBXPRCDP-UHFFFAOYSA-N 1 0 330.447 4.138 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595790210 1035793182 /nfs/dbraw/zinc/79/31/82/1035793182.db2.gz VBOZXQILEPVZBU-QUCCMNQESA-N 1 0 326.484 4.269 20 30 EIEDRO C[C@@]1(Cc2ccccc2C(F)(F)F)CCC[N@@H+]1CCOCCC#N ZINC000595864845 1035801706 /nfs/dbraw/zinc/80/17/06/1035801706.db2.gz DSFJQWOEVBCNAA-KRWDZBQOSA-N 1 0 340.389 4.033 20 30 EIEDRO C[C@@H]1[C@@H](C)[N@H+](CCCC(C)(C)C#N)CCN1CCCC(C)(C)C#N ZINC000595887852 1035802050 /nfs/dbraw/zinc/80/20/50/1035802050.db2.gz UXZCJDJBIJBAIJ-QZTJIDSGSA-N 1 0 332.536 4.041 20 30 EIEDRO C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595889135 1035803091 /nfs/dbraw/zinc/80/30/91/1035803091.db2.gz HMSDTPVZAAZVRP-DZGCQCFKSA-N 1 0 340.389 4.029 20 30 EIEDRO C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595889539 1035803293 /nfs/dbraw/zinc/80/32/93/1035803293.db2.gz JFKRUDKWQNRBMB-BBRMVZONSA-N 1 0 340.389 4.029 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)c1ccc(C#N)cc1 ZINC000596094798 1035821647 /nfs/dbraw/zinc/82/16/47/1035821647.db2.gz MFRJVFCLWHBSRS-UXHICEINSA-N 1 0 342.446 4.472 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)ccn1 ZINC000586776380 1035835089 /nfs/dbraw/zinc/83/50/89/1035835089.db2.gz GPLZCPFOHWLIHH-QZTJIDSGSA-N 1 0 345.368 4.398 20 30 EIEDRO CCCN(C)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000586794585 1035849703 /nfs/dbraw/zinc/84/97/03/1035849703.db2.gz SMQSCDPOXWWXFB-KFKAGJAMSA-N 1 0 333.907 4.395 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(C)c1OC ZINC000586794278 1035850226 /nfs/dbraw/zinc/85/02/26/1035850226.db2.gz JQXUYAADQJXXPE-ZDUSSCGKSA-N 1 0 344.842 4.388 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1F ZINC000593183863 1035892881 /nfs/dbraw/zinc/89/28/81/1035892881.db2.gz MDWTVJRHTXPCDA-INIZCTEOSA-N 1 0 337.442 4.013 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000485475987 1035905341 /nfs/dbraw/zinc/90/53/41/1035905341.db2.gz HGTHCZVGYUGSHW-UHFFFAOYSA-N 1 0 334.529 4.203 20 30 EIEDRO COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000502253112 1036009610 /nfs/dbraw/zinc/00/96/10/1036009610.db2.gz UHCIDDXYKLRWAR-HZPDHXFCSA-N 1 0 338.451 4.166 20 30 EIEDRO CCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000597011859 1036070068 /nfs/dbraw/zinc/07/00/68/1036070068.db2.gz GHJORUXPFBHDEI-XUVXKRRUSA-N 1 0 338.495 4.267 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596997109 1036071752 /nfs/dbraw/zinc/07/17/52/1036071752.db2.gz OXKXEIPLZNGIFA-OPYAIIAOSA-N 1 0 337.511 4.079 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3nc4ccccc4n3C3CC3)cc2)CC1 ZINC000597083956 1036097420 /nfs/dbraw/zinc/09/74/20/1036097420.db2.gz QLJZXEFQSDQXEA-UHFFFAOYSA-N 1 0 342.446 4.216 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CC[C@H](COc4ccccc4)C3)cc2)CC1 ZINC000597085843 1036102883 /nfs/dbraw/zinc/10/28/83/1036102883.db2.gz YKIHWLVKYOBPBO-IBGZPJMESA-N 1 0 332.447 4.143 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000597133679 1036115040 /nfs/dbraw/zinc/11/50/40/1036115040.db2.gz XOTAJBXDALDPRB-QGZVFWFLSA-N 1 0 341.499 4.096 20 30 EIEDRO N#CC[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000597172544 1036122104 /nfs/dbraw/zinc/12/21/04/1036122104.db2.gz CLFYQESHVUKNRG-GOSISDBHSA-N 1 0 345.446 4.263 20 30 EIEDRO CCCCCOc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ccc1OC ZINC000597172462 1036122222 /nfs/dbraw/zinc/12/22/22/1036122222.db2.gz ADUUTNAHQDYCQP-QGZVFWFLSA-N 1 0 330.472 4.390 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000597228748 1036162675 /nfs/dbraw/zinc/16/26/75/1036162675.db2.gz NMENETDGDOWUFM-OAQYLSRUSA-N 1 0 336.435 4.022 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnc(Cl)c(C)c2)c1 ZINC000760674147 1036171581 /nfs/dbraw/zinc/17/15/81/1036171581.db2.gz DVMCZOZLOFHSOD-MRXNPFEDSA-N 1 0 329.831 4.014 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCCCC#N)cc2)C1 ZINC000588156519 1036231659 /nfs/dbraw/zinc/23/16/59/1036231659.db2.gz YVVKISXLHLVWNT-KRWDZBQOSA-N 1 0 327.472 4.331 20 30 EIEDRO N#CCCCCCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000588157920 1036232112 /nfs/dbraw/zinc/23/21/12/1036232112.db2.gz QXLAHIRBYZRNFE-UHFFFAOYSA-N 1 0 341.499 4.153 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)cc1F ZINC000421320394 1036266091 /nfs/dbraw/zinc/26/60/91/1036266091.db2.gz BZYMIMLUTYOWHR-GOSISDBHSA-N 1 0 346.352 4.466 20 30 EIEDRO CN(C)Cc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1Cl ZINC000597613833 1036301445 /nfs/dbraw/zinc/30/14/45/1036301445.db2.gz IJMCIPNLGGGYBV-UHFFFAOYSA-N 1 0 333.863 4.204 20 30 EIEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421365985 1036313327 /nfs/dbraw/zinc/31/33/27/1036313327.db2.gz RKPHSINHBZSWOX-XIKOKIGWSA-N 1 0 332.806 4.217 20 30 EIEDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000421357599 1036332598 /nfs/dbraw/zinc/33/25/98/1036332598.db2.gz PJPURBUWHPXDPI-GOSISDBHSA-N 1 0 326.419 4.155 20 30 EIEDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CCCCCC#N)c2C1 ZINC000588343803 1036349137 /nfs/dbraw/zinc/34/91/37/1036349137.db2.gz BYXKSGDZMMRKGW-UHFFFAOYSA-N 1 0 327.472 4.461 20 30 EIEDRO CCOc1cc(C[N@H+](C)C[C@@H](C)CCC#N)ccc1OC(F)F ZINC000602438777 1036448499 /nfs/dbraw/zinc/44/84/99/1036448499.db2.gz AEBSDUYIVVEDAH-ZDUSSCGKSA-N 1 0 326.387 4.058 20 30 EIEDRO CCCCN(C(=O)CCCCCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000588754945 1036453594 /nfs/dbraw/zinc/45/35/94/1036453594.db2.gz CPNOUDWPEPYALQ-UHFFFAOYSA-N 1 0 335.536 4.398 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]C2CCC(C#N)CC2)cc1Br ZINC000602515410 1036473328 /nfs/dbraw/zinc/47/33/28/1036473328.db2.gz XLNKSZHLXRUVAS-DCBWTQNWSA-N 1 0 337.261 4.191 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]C2CCC(C#N)CC2)cc1Br ZINC000602515411 1036474906 /nfs/dbraw/zinc/47/49/06/1036474906.db2.gz XLNKSZHLXRUVAS-LKSINWNRSA-N 1 0 337.261 4.191 20 30 EIEDRO N#CC1CCC([NH2+]Cc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000602523939 1036480747 /nfs/dbraw/zinc/48/07/47/1036480747.db2.gz IWOYZQMDXAKRQU-UHFFFAOYSA-N 1 0 339.483 4.377 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000602508520 1036482732 /nfs/dbraw/zinc/48/27/32/1036482732.db2.gz BZTMKFXSVNNJIN-QGZVFWFLSA-N 1 0 328.500 4.215 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000602510284 1036483526 /nfs/dbraw/zinc/48/35/26/1036483526.db2.gz LADQHSTZPTWDBJ-GOSISDBHSA-N 1 0 326.484 4.187 20 30 EIEDRO COC[C@H]([NH2+]C1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000602546045 1036489835 /nfs/dbraw/zinc/48/98/35/1036489835.db2.gz ODCDWGFILAXICY-MOQPWLNLSA-N 1 0 326.362 4.065 20 30 EIEDRO N#CC1CCC([NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)CC1 ZINC000602532605 1036492011 /nfs/dbraw/zinc/49/20/11/1036492011.db2.gz ZCZYRXBDQVODJT-UHFFFAOYSA-N 1 0 325.387 4.185 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000602529725 1036492047 /nfs/dbraw/zinc/49/20/47/1036492047.db2.gz XRWJRDLFTNNEGE-MRXNPFEDSA-N 1 0 346.902 4.450 20 30 EIEDRO N#CC1CCC([NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000602530405 1036492734 /nfs/dbraw/zinc/49/27/34/1036492734.db2.gz GLRYUIIVBDEOAS-UHFFFAOYSA-N 1 0 327.653 4.274 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000602525776 1036492784 /nfs/dbraw/zinc/49/27/84/1036492784.db2.gz CIKSCTMKQSRQPY-INIZCTEOSA-N 1 0 330.472 4.052 20 30 EIEDRO N#CC1CCC([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000602526625 1036493373 /nfs/dbraw/zinc/49/33/73/1036493373.db2.gz DSEDTVUTONFEIQ-UHFFFAOYSA-N 1 0 348.372 4.063 20 30 EIEDRO CCC(CC)(C[NH2+][C@@H](C)CC1(C#N)CCOCC1)c1ccccc1 ZINC000602558775 1036496017 /nfs/dbraw/zinc/49/60/17/1036496017.db2.gz DYAURJGPDYYXGC-SFHVURJKSA-N 1 0 328.500 4.433 20 30 EIEDRO CCN1CC[C@H]([NH2+]C[C@@H](C)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000602583348 1036509287 /nfs/dbraw/zinc/50/92/87/1036509287.db2.gz QRUVVXCXPPRBTO-DOPJRALCSA-N 1 0 337.870 4.144 20 30 EIEDRO CCC(CC)(C[NH2+]C1CCC(C#N)CC1)c1ccc(OC)c(OC)c1 ZINC000602614913 1036519707 /nfs/dbraw/zinc/51/97/07/1036519707.db2.gz BBTDRPZAGVZVFD-UHFFFAOYSA-N 1 0 344.499 4.434 20 30 EIEDRO N#CC1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000602643849 1036536598 /nfs/dbraw/zinc/53/65/98/1036536598.db2.gz LZLDDVHJUPYKTE-ZALBZXLWSA-N 1 0 338.282 4.244 20 30 EIEDRO C[C@@]1(C[NH+]2CCC(C#N)(c3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000602650668 1036542114 /nfs/dbraw/zinc/54/21/14/1036542114.db2.gz FRGQBJDCIGWWJA-FPOVZHCZSA-N 1 0 331.463 4.133 20 30 EIEDRO CC(C)[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602630921 1036545131 /nfs/dbraw/zinc/54/51/31/1036545131.db2.gz PDEYTYAPXZAVSL-UYAOXDASSA-N 1 0 328.500 4.190 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000602630087 1036546365 /nfs/dbraw/zinc/54/63/65/1036546365.db2.gz TVYLTABMFUJPMM-MISYRCLQSA-N 1 0 326.484 4.086 20 30 EIEDRO Cc1ccc(C2(C[NH2+][C@H](C)CC3(C#N)CCOCC3)CC2)c(C)c1 ZINC000602673751 1036551063 /nfs/dbraw/zinc/55/10/63/1036551063.db2.gz NAFGFMSZNYTEDM-GOSISDBHSA-N 1 0 326.484 4.024 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCN(C2CC2)[C@@H](c2ccccc2)C1 ZINC000602661375 1036556329 /nfs/dbraw/zinc/55/63/29/1036556329.db2.gz DRWIDAICDSAQMJ-AZUAARDMSA-N 1 0 325.500 4.274 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)n1 ZINC000602723772 1036597434 /nfs/dbraw/zinc/59/74/34/1036597434.db2.gz IQYVLMUTASTFCI-GOSISDBHSA-N 1 0 336.826 4.255 20 30 EIEDRO N#CC1CCC([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000602730587 1036598623 /nfs/dbraw/zinc/59/86/23/1036598623.db2.gz QZKGNCWFDHURND-LNTUIOFPSA-N 1 0 327.255 4.089 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000602733979 1036601752 /nfs/dbraw/zinc/60/17/52/1036601752.db2.gz ZRCPSLMTVQHDPF-NHCUHLMSSA-N 1 0 334.463 4.186 20 30 EIEDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000588959505 1036622682 /nfs/dbraw/zinc/62/26/82/1036622682.db2.gz DDZKOLSNWMOPLO-MRXNPFEDSA-N 1 0 330.790 4.136 20 30 EIEDRO Cc1c(C#N)cccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486325605 1036629817 /nfs/dbraw/zinc/62/98/17/1036629817.db2.gz SBOZFMNZJZVZFR-UHFFFAOYSA-N 1 0 333.435 4.105 20 30 EIEDRO COc1ccc(C([NH2+]CCC(C)(C)C#N)c2ccc(OC)cc2)cc1 ZINC000589056402 1036648602 /nfs/dbraw/zinc/64/86/02/1036648602.db2.gz ZQSKERGEVZYJQO-UHFFFAOYSA-N 1 0 338.451 4.323 20 30 EIEDRO CC(C)O[C@H](C[NH+]1CCC(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000602906368 1036660053 /nfs/dbraw/zinc/66/00/53/1036660053.db2.gz GSGNTTQYCUEZOE-JOCHJYFZSA-N 1 0 349.478 4.299 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602895446 1036665358 /nfs/dbraw/zinc/66/53/58/1036665358.db2.gz NUWFZZRFPCRWIZ-INIZCTEOSA-N 1 0 330.435 4.067 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(F)cn3)CC2)c(Cl)c1 ZINC000602906591 1036669358 /nfs/dbraw/zinc/66/93/58/1036669358.db2.gz XPWFQZBPDIWSNC-UHFFFAOYSA-N 1 0 329.806 4.125 20 30 EIEDRO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602924974 1036670630 /nfs/dbraw/zinc/67/06/30/1036670630.db2.gz RUZJMFIVENWICB-SFHVURJKSA-N 1 0 327.359 4.021 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](C4CCC4)CC3)o2)c1 ZINC000603000131 1036701054 /nfs/dbraw/zinc/70/10/54/1036701054.db2.gz VSOSWJPUIRXYCH-QGZVFWFLSA-N 1 0 336.439 4.010 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000598601520 1036701952 /nfs/dbraw/zinc/70/19/52/1036701952.db2.gz GSOCAKSYYVCKIO-IIBYNOLFSA-N 1 0 347.462 4.177 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000598586751 1036704446 /nfs/dbraw/zinc/70/44/46/1036704446.db2.gz YLFJJNYHGIACIS-CJNGLKHVSA-N 1 0 341.282 4.431 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000598592002 1036707231 /nfs/dbraw/zinc/70/72/31/1036707231.db2.gz DOCFSPWYHSZMSV-LEWJYISDSA-N 1 0 334.463 4.087 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000598592631 1036708223 /nfs/dbraw/zinc/70/82/23/1036708223.db2.gz KPRVVIWGPADDCL-KRWDZBQOSA-N 1 0 336.426 4.010 20 30 EIEDRO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)CC(C)(C)C#N ZINC000598587954 1036709237 /nfs/dbraw/zinc/70/92/37/1036709237.db2.gz XQCJXNPYSUXDNR-MRXNPFEDSA-N 1 0 342.405 4.217 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598587739 1036710292 /nfs/dbraw/zinc/71/02/92/1036710292.db2.gz UTWDWXCHKQPMGU-YPMHNXCESA-N 1 0 329.271 4.287 20 30 EIEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598619704 1036717393 /nfs/dbraw/zinc/71/73/93/1036717393.db2.gz WQGDFZXMVIZSCB-HKUYNNGSSA-N 1 0 336.907 4.188 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000598604334 1036718952 /nfs/dbraw/zinc/71/89/52/1036718952.db2.gz QYUMWMMHHUXBLZ-ZUQFGZKASA-N 1 0 332.513 4.307 20 30 EIEDRO CC(C)(C)OC(=O)CCCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000589340885 1036737632 /nfs/dbraw/zinc/73/76/32/1036737632.db2.gz TXDWCLJQKFZQHP-GOSISDBHSA-N 1 0 328.456 4.037 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cccc(OC(F)F)c1 ZINC000589336460 1036738173 /nfs/dbraw/zinc/73/81/73/1036738173.db2.gz JZPDWZALXGVEFS-KZULUSFZSA-N 1 0 328.362 4.498 20 30 EIEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000589343665 1036741021 /nfs/dbraw/zinc/74/10/21/1036741021.db2.gz JIYHOBUEECUGGA-HXUWFJFHSA-N 1 0 348.446 4.291 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCc4ccc(C#N)cc43)C2)cc1F ZINC000589344236 1036741212 /nfs/dbraw/zinc/74/12/12/1036741212.db2.gz USJJNEOEAPFNEX-MBOZVWFJSA-N 1 0 336.410 4.229 20 30 EIEDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000589343348 1036741427 /nfs/dbraw/zinc/74/14/27/1036741427.db2.gz SBPNDXZKGOQUEV-IRLDBZIGSA-N 1 0 334.463 4.173 20 30 EIEDRO N#CCCCOc1cccc(C[NH+]2CC(Cc3ccsc3)C2)c1 ZINC000598677846 1036743179 /nfs/dbraw/zinc/74/31/79/1036743179.db2.gz KMISEQMNACXFHW-UHFFFAOYSA-N 1 0 326.465 4.105 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1OC ZINC000668628828 1036744421 /nfs/dbraw/zinc/74/44/21/1036744421.db2.gz GMWBQOXXOKDRFJ-LJQANCHMSA-N 1 0 345.483 4.041 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCOc2ccccc2)c(C(F)(F)F)c1 ZINC000589310135 1036744786 /nfs/dbraw/zinc/74/47/86/1036744786.db2.gz QPKPLUPKWOGUSC-UHFFFAOYSA-N 1 0 334.341 4.136 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cl)cc1 ZINC000598721689 1036760510 /nfs/dbraw/zinc/76/05/10/1036760510.db2.gz YJECPAVTZWZCIO-SFHVURJKSA-N 1 0 342.870 4.397 20 30 EIEDRO C[C@@]1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)OCCc2sccc21 ZINC000589348802 1036760772 /nfs/dbraw/zinc/76/07/72/1036760772.db2.gz DMSDDAAKFDXAJU-ICSRJNTNSA-N 1 0 338.476 4.075 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000598721049 1036761045 /nfs/dbraw/zinc/76/10/45/1036761045.db2.gz SMPNERVTSXIWRH-QGZVFWFLSA-N 1 0 342.414 4.008 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000589506552 1036800520 /nfs/dbraw/zinc/80/05/20/1036800520.db2.gz ASWNWVWALXIMJI-UHFFFAOYSA-N 1 0 346.474 4.253 20 30 EIEDRO C[C@H]([NH2+]CCCn1ccc2ccccc21)c1ccc(OCC#N)cc1 ZINC000192951727 1036804093 /nfs/dbraw/zinc/80/40/93/1036804093.db2.gz WYYTZPXEZNULES-KRWDZBQOSA-N 1 0 333.435 4.285 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C(C)C)c(F)c1 ZINC000421856564 1036809617 /nfs/dbraw/zinc/80/96/17/1036809617.db2.gz OHZHJQHSMXFNKV-LJQANCHMSA-N 1 0 330.378 4.332 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)c(F)c1 ZINC000421849243 1036827026 /nfs/dbraw/zinc/82/70/26/1036827026.db2.gz BOQCQJMMQKMAGC-IBGZPJMESA-N 1 0 328.362 4.086 20 30 EIEDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C#N)s1 ZINC000421887284 1036832729 /nfs/dbraw/zinc/83/27/29/1036832729.db2.gz SPQNYLSKQKXRPE-GFCCVEGCSA-N 1 0 347.465 4.188 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1OC(F)F ZINC000421886479 1036836065 /nfs/dbraw/zinc/83/60/65/1036836065.db2.gz RXUDAIXIUJAHNM-SECBINFHSA-N 1 0 326.343 4.211 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)s1 ZINC000421891584 1036837173 /nfs/dbraw/zinc/83/71/73/1036837173.db2.gz WAGZMCOXCBRRNO-OAHLLOKOSA-N 1 0 338.354 4.295 20 30 EIEDRO COc1ccc(C[NH2+]C[C@H]2CCCC23CC3)cc1OCCCC#N ZINC000599015408 1036850711 /nfs/dbraw/zinc/85/07/11/1036850711.db2.gz DUXZLQNVGRZYBE-QGZVFWFLSA-N 1 0 328.456 4.048 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000668683704 1036853010 /nfs/dbraw/zinc/85/30/10/1036853010.db2.gz OAUKGQACZGAICW-RTWAWAEBSA-N 1 0 325.452 4.099 20 30 EIEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000486794618 1036857780 /nfs/dbraw/zinc/85/77/80/1036857780.db2.gz DMQMABPUJDBPRO-BLLLJJGKSA-N 1 0 333.501 4.076 20 30 EIEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000486808383 1036859587 /nfs/dbraw/zinc/85/95/87/1036859587.db2.gz BSJFJIWQEMDEOA-SUMWQHHRSA-N 1 0 333.863 4.051 20 30 EIEDRO COc1ccc(OC)c(C[N@H+](Cc2ccc(C#N)c(C)c2)C2CC2)c1 ZINC000486811867 1036861018 /nfs/dbraw/zinc/86/10/18/1036861018.db2.gz NLXKSNRBFIDYKG-UHFFFAOYSA-N 1 0 336.435 4.049 20 30 EIEDRO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2CCC(C)C)c(C#N)c1C ZINC000486800867 1036862895 /nfs/dbraw/zinc/86/28/95/1036862895.db2.gz KSSDHVZTZCDWJQ-HNNXBMFYSA-N 1 0 333.501 4.076 20 30 EIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C12CCC2 ZINC000486802872 1036863422 /nfs/dbraw/zinc/86/34/22/1036863422.db2.gz XLIOSCWHFPYMIP-OALUTQOASA-N 1 0 326.484 4.267 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000589743010 1036869869 /nfs/dbraw/zinc/86/98/69/1036869869.db2.gz WSJIQCNGGHRYKI-KQLYMOGASA-N 1 0 326.484 4.018 20 30 EIEDRO N#Cc1c(Cl)cccc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000589817206 1036878341 /nfs/dbraw/zinc/87/83/41/1036878341.db2.gz MLSVLUVFQIHURE-UHFFFAOYSA-N 1 0 343.833 4.063 20 30 EIEDRO N#CCCCC[NH2+][C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000924940928 1036899006 /nfs/dbraw/zinc/89/90/06/1036899006.db2.gz CDQFGKYOTHIACK-KRWDZBQOSA-N 1 0 344.256 4.217 20 30 EIEDRO CC[C@H](Cc1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593703208 1036908195 /nfs/dbraw/zinc/90/81/95/1036908195.db2.gz QRWJSTKWFBWRSU-JOCHJYFZSA-N 1 0 347.506 4.134 20 30 EIEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593702348 1036909464 /nfs/dbraw/zinc/90/94/64/1036909464.db2.gz LSWHCEIOIDXESL-OALUTQOASA-N 1 0 347.506 4.304 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)s1 ZINC000593719256 1036928547 /nfs/dbraw/zinc/92/85/47/1036928547.db2.gz AOURBCGYGZDNAA-INIZCTEOSA-N 1 0 339.508 4.243 20 30 EIEDRO COc1ccc(C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)cc1C#N ZINC000761335488 1036946956 /nfs/dbraw/zinc/94/69/56/1036946956.db2.gz SUXVSUAQSFYNBU-IBGZPJMESA-N 1 0 330.378 4.332 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(OCc3ccccc3F)CC2)cc1C#N ZINC000599341215 1036958311 /nfs/dbraw/zinc/95/83/11/1036958311.db2.gz HUSVDNZJBUIJQK-UHFFFAOYSA-N 1 0 338.426 4.187 20 30 EIEDRO Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1C#N ZINC000599349403 1036961266 /nfs/dbraw/zinc/96/12/66/1036961266.db2.gz OANUSIFUPXZVHK-UHFFFAOYSA-N 1 0 341.252 4.408 20 30 EIEDRO CC(C)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599350368 1036966793 /nfs/dbraw/zinc/96/67/93/1036966793.db2.gz WDLYPKPQOCCDEZ-HZPDHXFCSA-N 1 0 340.389 4.047 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000599355280 1036967411 /nfs/dbraw/zinc/96/74/11/1036967411.db2.gz XQMQMOSESXRWHO-YWZLYKJASA-N 1 0 338.426 4.198 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)c2ccccc21 ZINC000599361296 1036976565 /nfs/dbraw/zinc/97/65/65/1036976565.db2.gz UOJUKHOYUTVPDJ-KGLIPLIRSA-N 1 0 328.843 4.199 20 30 EIEDRO N#CCSCCC[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000271749676 1037005643 /nfs/dbraw/zinc/00/56/43/1037005643.db2.gz XJSXAKNGCGLOEJ-LJQANCHMSA-N 1 0 326.465 4.043 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1C#N ZINC000599453747 1037013347 /nfs/dbraw/zinc/01/33/47/1037013347.db2.gz ZIFDHTVCUVKXHU-FKBYEOEOSA-N 1 0 332.447 4.361 20 30 EIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc([S@@](C)=O)cc1 ZINC000271848841 1037036400 /nfs/dbraw/zinc/03/64/00/1037036400.db2.gz VNEYVRAGUUIOFX-IZHWHUGBSA-N 1 0 340.492 4.076 20 30 EIEDRO CC(C)Oc1cccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000603849923 1037044368 /nfs/dbraw/zinc/04/43/68/1037044368.db2.gz ODVILKOQEYBETN-UHFFFAOYSA-N 1 0 349.478 4.058 20 30 EIEDRO C[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(OCC#N)cc1 ZINC000271914948 1037052817 /nfs/dbraw/zinc/05/28/17/1037052817.db2.gz YSUQQPBGFWSVPT-AWEZNQCLSA-N 1 0 337.398 4.103 20 30 EIEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526777 1037055218 /nfs/dbraw/zinc/05/52/18/1037055218.db2.gz RSMQWEJWKIYECA-IUODEOHRSA-N 1 0 339.302 4.308 20 30 EIEDRO Cc1cc(Cl)ccc1C1=CC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000599619654 1037091735 /nfs/dbraw/zinc/09/17/35/1037091735.db2.gz MYESLLIVNZTIMZ-QGZVFWFLSA-N 1 0 332.875 4.038 20 30 EIEDRO C=CCC1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCCC1 ZINC000599615004 1037092951 /nfs/dbraw/zinc/09/29/51/1037092951.db2.gz VSHGXXYZDJGUCN-UHFFFAOYSA-N 1 0 342.399 4.013 20 30 EIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)cs3)C2)c(F)c1 ZINC000487286859 1037101047 /nfs/dbraw/zinc/10/10/47/1037101047.db2.gz HDCXYQIRBHTRIN-CQSZACIVSA-N 1 0 349.862 4.171 20 30 EIEDRO Cc1cccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)C(C)C)c1 ZINC000599626810 1037101196 /nfs/dbraw/zinc/10/11/96/1037101196.db2.gz HKPAVCUCEWRHKW-UZLBHIALSA-N 1 0 335.451 4.181 20 30 EIEDRO CN(C)C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000599628359 1037101229 /nfs/dbraw/zinc/10/12/29/1037101229.db2.gz RWTYXNPLSCOHEW-HNNXBMFYSA-N 1 0 328.287 4.126 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cc(C)ccc1C ZINC000599640593 1037106532 /nfs/dbraw/zinc/10/65/32/1037106532.db2.gz KHUQYXLRJFQDJU-QFBILLFUSA-N 1 0 335.451 4.243 20 30 EIEDRO COC[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000590646089 1037131454 /nfs/dbraw/zinc/13/14/54/1037131454.db2.gz HGQSHENHJMQTOQ-CGZBRXJRSA-N 1 0 340.389 4.455 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000590643990 1037131729 /nfs/dbraw/zinc/13/17/29/1037131729.db2.gz SIGFCRCOFGLMOQ-DMKPSLHHSA-N 1 0 331.891 4.228 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)ccc1Cl ZINC000590780129 1037164225 /nfs/dbraw/zinc/16/42/25/1037164225.db2.gz LDZNIXMVRWKCJL-GOSISDBHSA-N 1 0 326.827 4.387 20 30 EIEDRO N#CCCCOc1cccc(C[NH+]2CC(Cc3ccc(F)cc3)C2)c1 ZINC000590968221 1037215309 /nfs/dbraw/zinc/21/53/09/1037215309.db2.gz FYZJORRTCAEUDY-UHFFFAOYSA-N 1 0 338.426 4.183 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(OC)c(F)c2)ccc1OC ZINC000057960554 1037357017 /nfs/dbraw/zinc/35/70/17/1037357017.db2.gz OYNUEBYKJXPURX-UHFFFAOYSA-N 1 0 345.414 4.088 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000488318465 1037505241 /nfs/dbraw/zinc/50/52/41/1037505241.db2.gz JXAQSWOBXSMZND-LIRRHRJNSA-N 1 0 328.843 4.386 20 30 EIEDRO C=CCC(C)(C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000488325774 1037530351 /nfs/dbraw/zinc/53/03/51/1037530351.db2.gz PMRWCSOCHKWUFV-PKOBYXMFSA-N 1 0 328.500 4.006 20 30 EIEDRO CSc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000573510764 1037574963 /nfs/dbraw/zinc/57/49/63/1037574963.db2.gz WFWJUVXSQLBNCJ-FOIQADDNSA-N 1 0 339.508 4.234 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCC(O)(c3ccccc3)CC2)cc1 ZINC000760907203 1037656663 /nfs/dbraw/zinc/65/66/63/1037656663.db2.gz JBIHEWQDACXAGZ-FBHNJWQJSA-N 1 0 349.474 4.180 20 30 EIEDRO CC(C)[N@H+](CCCOCCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000058396969 1037766062 /nfs/dbraw/zinc/76/60/62/1037766062.db2.gz GPEBXPNGWGIHPV-UHFFFAOYSA-N 1 0 336.479 4.418 20 30 EIEDRO N#CCCC1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000570275953 1037792886 /nfs/dbraw/zinc/79/28/86/1037792886.db2.gz AVHHDEOFYRCVJT-UHFFFAOYSA-N 1 0 327.255 4.388 20 30 EIEDRO COc1ccc(Br)cc1C1([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000592391891 1037794774 /nfs/dbraw/zinc/79/47/74/1037794774.db2.gz SLKVBSAXXOIYSL-JSGCOSHPSA-N 1 0 349.272 4.119 20 30 EIEDRO C[NH+](C)C1CCC(Nc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000573959291 1037806186 /nfs/dbraw/zinc/80/61/86/1037806186.db2.gz UKNZMRMUDDFDFA-UHFFFAOYSA-N 1 0 328.847 4.045 20 30 EIEDRO CCCC[N@H+](Cc1ccc(C#N)s1)[C@H]1CCc2ncsc2C1 ZINC000592527472 1037825146 /nfs/dbraw/zinc/82/51/46/1037825146.db2.gz AKURSXSSQWQFOX-ZDUSSCGKSA-N 1 0 331.510 4.236 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000605845444 1037865455 /nfs/dbraw/zinc/86/54/55/1037865455.db2.gz SKBQEKOCZOYNSV-UHFFFAOYSA-N 1 0 343.515 4.026 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000249410884 1037894876 /nfs/dbraw/zinc/89/48/76/1037894876.db2.gz XWVKRELKYONVKC-QWFCFKBJSA-N 1 0 325.500 4.206 20 30 EIEDRO C=C(C)[C@@H](N[C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423051477 1037936256 /nfs/dbraw/zinc/93/62/56/1037936256.db2.gz NLWDOECAGIAEGD-ORAYPTAESA-N 1 0 331.410 4.095 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503868377 1037950398 /nfs/dbraw/zinc/95/03/98/1037950398.db2.gz BCYHMNCHPZDFAM-RCCFBDPRSA-N 1 0 334.410 4.466 20 30 EIEDRO N#CC1(CCC[N@H+]2CCCC[C@H]2Cc2ccccc2F)CCOCC1 ZINC000593079234 1037979940 /nfs/dbraw/zinc/97/99/40/1037979940.db2.gz BQLFMZBAUFZIEJ-IBGZPJMESA-N 1 0 344.474 4.323 20 30 EIEDRO C=CCC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccccc1 ZINC000489684616 1038191374 /nfs/dbraw/zinc/19/13/74/1038191374.db2.gz KMJFNVVIUJYRKF-HKBOAZHASA-N 1 0 340.511 4.210 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(OC(F)F)cc3)CCC2)cc1 ZINC000594032659 1038239501 /nfs/dbraw/zinc/23/95/01/1038239501.db2.gz ZABCRZPDQCZNGI-UHFFFAOYSA-N 1 0 328.362 4.329 20 30 EIEDRO CCc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+](C)C)cc1 ZINC000912777905 1038291884 /nfs/dbraw/zinc/29/18/84/1038291884.db2.gz XVRCCSGOOHBAKX-VSIOZEBNSA-N 1 0 347.462 4.225 20 30 EIEDRO CC[NH+](CC)Cc1ccc(CN=Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000912780752 1038303465 /nfs/dbraw/zinc/30/34/65/1038303465.db2.gz IBOPAIXRMSKSQB-HAHDFKILSA-N 1 0 347.462 4.401 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000606922222 1038313417 /nfs/dbraw/zinc/31/34/17/1038313417.db2.gz KGOGFKVIPMTPAG-GOSISDBHSA-N 1 0 347.503 4.113 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490058784 1038328820 /nfs/dbraw/zinc/32/88/20/1038328820.db2.gz SWFVNEKFZWCIAJ-KRWDZBQOSA-N 1 0 335.451 4.106 20 30 EIEDRO CC[C@@H](C)Sc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c(C)c1 ZINC000594431961 1038332638 /nfs/dbraw/zinc/33/26/38/1038332638.db2.gz TWHVLLYSBILUNY-ZBFHGGJFSA-N 1 0 333.501 4.235 20 30 EIEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000594431761 1038334344 /nfs/dbraw/zinc/33/43/44/1038334344.db2.gz QZKUYFJWBRMAMI-MRXNPFEDSA-N 1 0 349.862 4.011 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000594498725 1038348193 /nfs/dbraw/zinc/34/81/93/1038348193.db2.gz USOMGBGQJYDEPM-LJQANCHMSA-N 1 0 326.484 4.459 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2cccc(F)c2o1)C(C)C ZINC000607907717 1038393515 /nfs/dbraw/zinc/39/35/15/1038393515.db2.gz KFXYBYCEAQUYMN-QGZVFWFLSA-N 1 0 344.430 4.000 20 30 EIEDRO CCCCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000063495643 1038394412 /nfs/dbraw/zinc/39/44/12/1038394412.db2.gz PISIFMVZWAFJJH-UHFFFAOYSA-N 1 0 347.528 4.338 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCCO3)cc2)CC1 ZINC000594916977 1038425088 /nfs/dbraw/zinc/42/50/88/1038425088.db2.gz DWNFJUSWBIACKX-SFTDATJTSA-N 1 0 332.447 4.252 20 30 EIEDRO Cc1nc2ccccc2n1CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594925354 1038431534 /nfs/dbraw/zinc/43/15/34/1038431534.db2.gz WTSFLVJRFTVWFC-UHFFFAOYSA-N 1 0 344.462 4.080 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(Br)s1)c1cccc(C#N)c1 ZINC000594968852 1038480982 /nfs/dbraw/zinc/48/09/82/1038480982.db2.gz UBPRFSAKSDXKTJ-UHFFFAOYSA-N 1 0 335.270 4.407 20 30 EIEDRO CC(C)([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000594970257 1038484817 /nfs/dbraw/zinc/48/48/17/1038484817.db2.gz WIPHBDDLOYRQQG-UHFFFAOYSA-N 1 0 334.341 4.308 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594933837 1038494850 /nfs/dbraw/zinc/49/48/50/1038494850.db2.gz CNHPJSIHUSAYKN-YWZLYKJASA-N 1 0 338.426 4.247 20 30 EIEDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C3(C#N)CC3)cc1)CCO2 ZINC000594942954 1038498653 /nfs/dbraw/zinc/49/86/53/1038498653.db2.gz ATUVRCDIOVQIBR-HXUWFJFHSA-N 1 0 348.446 4.254 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000594947071 1038513044 /nfs/dbraw/zinc/51/30/44/1038513044.db2.gz RULCOZJDLVPKCU-LEWJYISDSA-N 1 0 332.447 4.252 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H](c1ccccc1)N(C)C ZINC000594948211 1038518326 /nfs/dbraw/zinc/51/83/26/1038518326.db2.gz WZADWRZGWCZHME-UTKZUKDTSA-N 1 0 333.479 4.023 20 30 EIEDRO CC(C)([NH2+]Cc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000594967657 1038555030 /nfs/dbraw/zinc/55/50/30/1038555030.db2.gz GMOSOSQQZQDCKA-UHFFFAOYSA-N 1 0 334.341 4.482 20 30 EIEDRO Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424108367 1038573269 /nfs/dbraw/zinc/57/32/69/1038573269.db2.gz WPGSXUOBNOISFR-QGZVFWFLSA-N 1 0 339.464 4.106 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000424172200 1038715246 /nfs/dbraw/zinc/71/52/46/1038715246.db2.gz NNLFHECCGPZMIZ-UWJYYQICSA-N 1 0 343.417 4.277 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000424198694 1038736734 /nfs/dbraw/zinc/73/67/34/1038736734.db2.gz JKFYFPXGAAZWOV-JOYOIKCWSA-N 1 0 347.178 4.250 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000424290081 1038770070 /nfs/dbraw/zinc/77/00/70/1038770070.db2.gz BCFLADRPLIJOGC-BVSLBCMMSA-N 1 0 337.463 4.160 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000424295070 1038770755 /nfs/dbraw/zinc/77/07/55/1038770755.db2.gz MDJGZEZQZCBWFN-SXLOBPIMSA-N 1 0 342.870 4.200 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000424298524 1038774863 /nfs/dbraw/zinc/77/48/63/1038774863.db2.gz SOMSGCOEAWVMLD-KCLUMXDGSA-N 1 0 329.484 4.291 20 30 EIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CCCc2nc(C)sc21)C(C)C ZINC000480765225 1038788494 /nfs/dbraw/zinc/78/84/94/1038788494.db2.gz ZHFGQZSKMRLVJQ-AEFFLSMTSA-N 1 0 333.545 4.117 20 30 EIEDRO C[N@H+](Cc1ccccc1NC(=O)NCCCCC#N)C1CCCCC1 ZINC000171360308 1038794442 /nfs/dbraw/zinc/79/44/42/1038794442.db2.gz JYAKGGBNCVAQGE-UHFFFAOYSA-N 1 0 342.487 4.266 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000063750313 1038813214 /nfs/dbraw/zinc/81/32/14/1038813214.db2.gz GMFFYRRWLFBNHL-UHFFFAOYSA-N 1 0 330.435 4.155 20 30 EIEDRO COc1cccc2c1CC[C@H]2[NH2+]CCSCc1ccccc1C#N ZINC000539072571 1038820313 /nfs/dbraw/zinc/82/03/13/1038820313.db2.gz DANSRXXYGHNZHC-LJQANCHMSA-N 1 0 338.476 4.077 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC000612473402 1038834457 /nfs/dbraw/zinc/83/44/57/1038834457.db2.gz QEPLWAMEYHBBOB-QGZVFWFLSA-N 1 0 327.431 4.263 20 30 EIEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(C#N)c1 ZINC000612480871 1038837224 /nfs/dbraw/zinc/83/72/24/1038837224.db2.gz IQRMPMAHMZQURG-IBGZPJMESA-N 1 0 333.460 4.397 20 30 EIEDRO C=C(CC)C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000539114339 1038844890 /nfs/dbraw/zinc/84/48/90/1038844890.db2.gz BJPMOQSKKTWTEX-UHFFFAOYSA-N 1 0 328.378 4.321 20 30 EIEDRO C=C(C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000504905625 1038846205 /nfs/dbraw/zinc/84/62/05/1038846205.db2.gz LMVJMUZDDUZGIP-HNNXBMFYSA-N 1 0 326.396 4.358 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1Br)c1cccs1 ZINC000612517142 1038847664 /nfs/dbraw/zinc/84/76/64/1038847664.db2.gz UBXWOEQZAGLJRO-UHFFFAOYSA-N 1 0 335.270 4.407 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000462062942 1038891382 /nfs/dbraw/zinc/89/13/82/1038891382.db2.gz USTYVWHLDAGMRN-UHFFFAOYSA-N 1 0 340.920 4.037 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000505022280 1038892390 /nfs/dbraw/zinc/89/23/90/1038892390.db2.gz CEYYVXDQSULGEF-UHFFFAOYSA-N 1 0 341.499 4.287 20 30 EIEDRO C=CCCN(Cc1nc(Br)cs1)Cc1ccccc1 ZINC001137780085 1038898957 /nfs/dbraw/zinc/89/89/57/1038898957.db2.gz VPRXKYRWTQXYOS-UHFFFAOYSA-N 1 0 337.286 4.484 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000505035347 1038911947 /nfs/dbraw/zinc/91/19/47/1038911947.db2.gz LNBKBKMJJJITKQ-KRWDZBQOSA-N 1 0 329.488 4.049 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539296626 1038948351 /nfs/dbraw/zinc/94/83/51/1038948351.db2.gz CLQJRVADMOGCHG-FUHWJXTLSA-N 1 0 343.442 4.240 20 30 EIEDRO CC[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CC[C@H]1c1ccccc1 ZINC000537619937 1038956818 /nfs/dbraw/zinc/95/68/18/1038956818.db2.gz NJZVXIIREPACDR-WIYYLYMNSA-N 1 0 344.462 4.222 20 30 EIEDRO CC[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CC[C@@H]1c1ccccc1 ZINC000537619935 1038957846 /nfs/dbraw/zinc/95/78/46/1038957846.db2.gz NJZVXIIREPACDR-NQIIRXRSSA-N 1 0 344.462 4.222 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000174436130 1038960014 /nfs/dbraw/zinc/96/00/14/1038960014.db2.gz ILJJIWGUGGOAEW-IAGOWNOFSA-N 1 0 346.434 4.014 20 30 EIEDRO CC[C@](C)([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nc(C)cs1 ZINC000174501403 1038977361 /nfs/dbraw/zinc/97/73/61/1038977361.db2.gz SQVHRXPCUYKAKU-KSSFIOAISA-N 1 0 329.469 4.157 20 30 EIEDRO CC[C@@](C)([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nc(C)cs1 ZINC000174501444 1038978293 /nfs/dbraw/zinc/97/82/93/1038978293.db2.gz SQVHRXPCUYKAKU-RDTXWAMCSA-N 1 0 329.469 4.157 20 30 EIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000608977654 1038986877 /nfs/dbraw/zinc/98/68/77/1038986877.db2.gz XFFOZBDVOBWHAJ-HKUYNNGSSA-N 1 0 347.462 4.155 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)c1ccccc1 ZINC000539359317 1038993974 /nfs/dbraw/zinc/99/39/74/1038993974.db2.gz KSRBOVDNLBDNST-INIZCTEOSA-N 1 0 348.899 4.315 20 30 EIEDRO Cc1ccccc1[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000539360140 1038995681 /nfs/dbraw/zinc/99/56/81/1038995681.db2.gz OETIWNIXHFDOOE-IBGZPJMESA-N 1 0 341.499 4.015 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000539389808 1039046275 /nfs/dbraw/zinc/04/62/75/1039046275.db2.gz CJHHEWOFNFEAKH-RTBURBONSA-N 1 0 343.515 4.037 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000552055433 1039076185 /nfs/dbraw/zinc/07/61/85/1039076185.db2.gz MZMANWGGEPSVQP-XZOQPEGZSA-N 1 0 345.490 4.453 20 30 EIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477863414 1039143255 /nfs/dbraw/zinc/14/32/55/1039143255.db2.gz SMLYAMSRLBMXFE-KGLIPLIRSA-N 1 0 344.480 4.287 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)C1CC1 ZINC000120757560 1039198685 /nfs/dbraw/zinc/19/86/85/1039198685.db2.gz MWAITCOOOAZGCA-HXUWFJFHSA-N 1 0 335.451 4.168 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1cccc(C#N)c1 ZINC000477919256 1039228188 /nfs/dbraw/zinc/22/81/88/1039228188.db2.gz XGDFNNKEHJXSRX-CYBMUJFWSA-N 1 0 349.356 4.092 20 30 EIEDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000090665447 1039267157 /nfs/dbraw/zinc/26/71/57/1039267157.db2.gz SSNNGTBONAVQLL-NYVOZVTQSA-N 1 0 333.479 4.457 20 30 EIEDRO COCCOc1ccc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000090665244 1039268745 /nfs/dbraw/zinc/26/87/45/1039268745.db2.gz XEYIEBSLTZQILE-DYESRHJHSA-N 1 0 338.451 4.407 20 30 EIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(C(C)(C)C#N)cc3)ccc21 ZINC000456317808 1039273456 /nfs/dbraw/zinc/27/34/56/1039273456.db2.gz MWSUNSBKDGKTFF-HXUWFJFHSA-N 1 0 347.462 4.289 20 30 EIEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000537632668 1039274947 /nfs/dbraw/zinc/27/49/47/1039274947.db2.gz JSBMGIMEGFJXGV-LEWJYISDSA-N 1 0 344.462 4.283 20 30 EIEDRO Cc1cc(C)cc(C[C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000552276650 1039354971 /nfs/dbraw/zinc/35/49/71/1039354971.db2.gz FNYQIMJOJXERON-LJQANCHMSA-N 1 0 347.506 4.365 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000552280611 1039357117 /nfs/dbraw/zinc/35/71/17/1039357117.db2.gz MNJAVMRKWPNNIL-YCPHGPKFSA-N 1 0 331.378 4.360 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccco1 ZINC000552280610 1039357973 /nfs/dbraw/zinc/35/79/73/1039357973.db2.gz MNJAVMRKWPNNIL-OFQRWUPVSA-N 1 0 331.378 4.360 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)[C@H](OC)c1ccccc1Cl ZINC000481399960 1039375707 /nfs/dbraw/zinc/37/57/07/1039375707.db2.gz BEKFZNVRCDUYQH-YJYMSZOUSA-N 1 0 344.842 4.086 20 30 EIEDRO COc1ccc(C[N@@H+]2CCCC3(CC3)CC2)cc1OCCCC#N ZINC000600216062 1039389839 /nfs/dbraw/zinc/38/98/39/1039389839.db2.gz ROWKBLBWMRKCMA-UHFFFAOYSA-N 1 0 328.456 4.144 20 30 EIEDRO CCCC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@@H](C)C1 ZINC000555679291 1039521399 /nfs/dbraw/zinc/52/13/99/1039521399.db2.gz PANGZVXCFFWDRJ-GDBMZVCRSA-N 1 0 333.501 4.239 20 30 EIEDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000550832263 1039525388 /nfs/dbraw/zinc/52/53/88/1039525388.db2.gz CZBWNGVNPLLPBC-XLIONFOSSA-N 1 0 335.451 4.428 20 30 EIEDRO C=CCCCC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000514047752 1039525888 /nfs/dbraw/zinc/52/58/88/1039525888.db2.gz NMBDESGXPCKHAB-UHFFFAOYSA-N 1 0 328.500 4.151 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(N(C)c3ccccc3)CC2)cc1 ZINC000092643285 1039569504 /nfs/dbraw/zinc/56/95/04/1039569504.db2.gz NDXSDAQCLQVKBD-SFHVURJKSA-N 1 0 349.478 4.078 20 30 EIEDRO C=C[C@H](CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000534605574 1039597810 /nfs/dbraw/zinc/59/78/10/1039597810.db2.gz UYFZRFWDRIKZAF-DENIHFKCSA-N 1 0 348.490 4.300 20 30 EIEDRO C=CCC(CC=C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425092351 1039629266 /nfs/dbraw/zinc/62/92/66/1039629266.db2.gz ZUYOICUGCSEACH-UHFFFAOYSA-N 1 0 333.501 4.007 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000481666004 1039715932 /nfs/dbraw/zinc/71/59/32/1039715932.db2.gz GGTOCGSBWUJYKF-RTWAWAEBSA-N 1 0 338.426 4.442 20 30 EIEDRO C=CCc1cc(C[N@H+](CCc2nccs2)C(C)C)cc(OC)c1O ZINC000093764176 1039742750 /nfs/dbraw/zinc/74/27/50/1039742750.db2.gz KJLXJQIDCHJTIN-UHFFFAOYSA-N 1 0 346.496 4.039 20 30 EIEDRO N#CC[C@H]1CCCN(c2cc[nH+]c3cc(OC(F)(F)F)ccc32)C1 ZINC000899877808 1039766921 /nfs/dbraw/zinc/76/69/21/1039766921.db2.gz WTUFJEGEHQPPRV-GFCCVEGCSA-N 1 0 335.329 4.263 20 30 EIEDRO N#CCCCC[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481721538 1039786557 /nfs/dbraw/zinc/78/65/57/1039786557.db2.gz XOYNNKCUEAOWCQ-HNNXBMFYSA-N 1 0 325.225 4.323 20 30 EIEDRO Fc1ccc(C[NH2+]CCSCC(F)(F)F)cc1C(F)(F)F ZINC000537659120 1039861353 /nfs/dbraw/zinc/86/13/53/1039861353.db2.gz NYGJOBVGEMFZPK-UHFFFAOYSA-N 1 0 335.288 4.230 20 30 EIEDRO C=CC[C@H](C)NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000537672150 1039884760 /nfs/dbraw/zinc/88/47/60/1039884760.db2.gz XKBHSRNOXBPQHY-KRWDZBQOSA-N 1 0 329.488 4.047 20 30 EIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cccc(Cl)c2C#N)CC1 ZINC000425235857 1039909812 /nfs/dbraw/zinc/90/98/12/1039909812.db2.gz JCVFQPWCRZRFGX-AWEZNQCLSA-N 1 0 340.858 4.244 20 30 EIEDRO C[C@H](CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000545979507 1039940345 /nfs/dbraw/zinc/94/03/45/1039940345.db2.gz QFZLJILQWXYYLA-LJQANCHMSA-N 1 0 347.506 4.306 20 30 EIEDRO C=C[C@H](CC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000505586998 1039983085 /nfs/dbraw/zinc/98/30/85/1039983085.db2.gz KZOZPHPTORHBIB-JBYIUTFZSA-N 1 0 336.479 4.154 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)C2(c3cccc(C#N)c3)CC2)c1 ZINC000435046974 1040027398 /nfs/dbraw/zinc/02/73/98/1040027398.db2.gz ZKAFQNXKQPKIAF-UHFFFAOYSA-N 1 0 347.462 4.070 20 30 EIEDRO C=CCC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000435105379 1040069939 /nfs/dbraw/zinc/06/99/39/1040069939.db2.gz KMAYEHGUWGIYRP-AZUAARDMSA-N 1 0 341.499 4.010 20 30 EIEDRO CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428780824 1040198043 /nfs/dbraw/zinc/19/80/43/1040198043.db2.gz CZSUWDXXQTWVCX-ZWKOTPCHSA-N 1 0 341.842 4.211 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000237506457 1040240692 /nfs/dbraw/zinc/24/06/92/1040240692.db2.gz VZSVLVSAQHTUSC-UGSOOPFHSA-N 1 0 342.439 4.443 20 30 EIEDRO CC[N@H+](Cc1cc(C#N)n(C)c1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000482453656 1040263290 /nfs/dbraw/zinc/26/32/90/1040263290.db2.gz CNESJIWXDCHAHP-CQSZACIVSA-N 1 0 349.400 4.369 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000667468561 1040269242 /nfs/dbraw/zinc/26/92/42/1040269242.db2.gz PZSFGYBPMZGLHW-MAUKXSAKSA-N 1 0 329.488 4.130 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1OC ZINC000194351063 1040282579 /nfs/dbraw/zinc/28/25/79/1040282579.db2.gz WYROYANOHVLEPL-CABCVRRESA-N 1 0 340.423 4.018 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccsc2)cc1 ZINC000154603306 1040345916 /nfs/dbraw/zinc/34/59/16/1040345916.db2.gz PQENVROYTVKALB-CXAGYDPISA-N 1 0 337.872 4.264 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000551533773 1040394364 /nfs/dbraw/zinc/39/43/64/1040394364.db2.gz PYARTQHTHYWYHZ-ZDUSSCGKSA-N 1 0 332.831 4.159 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551560337 1040410856 /nfs/dbraw/zinc/41/08/56/1040410856.db2.gz RMQXTCDVSJCXCW-NQIIRXRSSA-N 1 0 345.490 4.048 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462249298 1040436996 /nfs/dbraw/zinc/43/69/96/1040436996.db2.gz UMQAKDYGQTTXTJ-KRWDZBQOSA-N 1 0 347.462 4.205 20 30 EIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1OC ZINC000539427645 1040437193 /nfs/dbraw/zinc/43/71/93/1040437193.db2.gz JURYXCHFBNNXAX-CYBMUJFWSA-N 1 0 330.453 4.268 20 30 EIEDRO Cc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1Br ZINC000551580400 1040437783 /nfs/dbraw/zinc/43/77/83/1040437783.db2.gz HERANDGJIRUSQE-UHFFFAOYSA-N 1 0 341.252 4.408 20 30 EIEDRO CC#CCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000462310649 1040463673 /nfs/dbraw/zinc/46/36/73/1040463673.db2.gz AHUATWVTENYUIV-UHFFFAOYSA-N 1 0 333.435 4.102 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000539498144 1040488309 /nfs/dbraw/zinc/48/83/09/1040488309.db2.gz HTOKVNDZUXSQOM-CYBMUJFWSA-N 1 0 334.341 4.350 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000539500298 1040491678 /nfs/dbraw/zinc/49/16/78/1040491678.db2.gz YSBCYUNORIQRDM-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc(C#N)c1 ZINC000539509417 1040500052 /nfs/dbraw/zinc/50/00/52/1040500052.db2.gz ZSHNEKCFZRYPAU-XJKSGUPXSA-N 1 0 343.833 4.280 20 30 EIEDRO CC1(C)CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000539529342 1040512933 /nfs/dbraw/zinc/51/29/33/1040512933.db2.gz MNQUGHKBJULSCU-QGZVFWFLSA-N 1 0 344.462 4.151 20 30 EIEDRO C[C@H](Nc1c(F)cc(C#N)cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386257569 1040521944 /nfs/dbraw/zinc/52/19/44/1040521944.db2.gz FATQSCYVTVQLSN-WMLDXEAASA-N 1 0 341.405 4.159 20 30 EIEDRO CSc1ccc(CC[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000435735733 1040591185 /nfs/dbraw/zinc/59/11/85/1040591185.db2.gz POZSUOXBQVJRRH-UHFFFAOYSA-N 1 0 340.492 4.423 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2F)c1 ZINC000539587406 1040591355 /nfs/dbraw/zinc/59/13/55/1040591355.db2.gz CUKVAKYVIFPXRL-YWZLYKJASA-N 1 0 329.415 4.256 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000553864835 1040595359 /nfs/dbraw/zinc/59/53/59/1040595359.db2.gz ALZQDTIUHRFQQV-GHTZIAJQSA-N 1 0 340.511 4.069 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000435742384 1040595603 /nfs/dbraw/zinc/59/56/03/1040595603.db2.gz UOSHLNZHBDNOML-IUODEOHRSA-N 1 0 344.680 4.173 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000435743142 1040596048 /nfs/dbraw/zinc/59/60/48/1040596048.db2.gz YUZUCCNPSSULKP-FUHWJXTLSA-N 1 0 328.481 4.189 20 30 EIEDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)Nc1ccccc1 ZINC000539607519 1040604098 /nfs/dbraw/zinc/60/40/98/1040604098.db2.gz LFNZCMVHJGUFLY-MGPUTAFESA-N 1 0 325.431 4.485 20 30 EIEDRO CCOc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C ZINC000551811877 1040623576 /nfs/dbraw/zinc/62/35/76/1040623576.db2.gz HVNTZQAYQXEZAD-UHFFFAOYSA-N 1 0 349.478 4.342 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)cc(OC)c1O ZINC000435780887 1040628642 /nfs/dbraw/zinc/62/86/42/1040628642.db2.gz YBUXGVBCADVHMY-QAQDUYKDSA-N 1 0 341.426 4.304 20 30 EIEDRO C=CCC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000428792133 1040631813 /nfs/dbraw/zinc/63/18/13/1040631813.db2.gz VMGKGQPSEFABCJ-JOCHJYFZSA-N 1 0 335.495 4.124 20 30 EIEDRO CC1(C)C[C@@H]([N@H+](CCCSCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000539767086 1040767056 /nfs/dbraw/zinc/76/70/56/1040767056.db2.gz WUWAUCNIYYTRHD-GOSISDBHSA-N 1 0 346.540 4.482 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000554076318 1040781940 /nfs/dbraw/zinc/78/19/40/1040781940.db2.gz ACUQVNJJKZNIDQ-CQSZACIVSA-N 1 0 339.252 4.495 20 30 EIEDRO Cn1cc(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)cc1C#N ZINC000483258312 1040793616 /nfs/dbraw/zinc/79/36/16/1040793616.db2.gz AYKKXKSRPQOWOL-JOCHJYFZSA-N 1 0 327.431 4.044 20 30 EIEDRO Cn1cc(C[N@H+]2CC=C(c3cccc4ccccc43)CC2)cc1C#N ZINC000483255997 1040794300 /nfs/dbraw/zinc/79/43/00/1040794300.db2.gz CHRBDEVLVRXENG-UHFFFAOYSA-N 1 0 327.431 4.339 20 30 EIEDRO N#Cc1c(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)cn2ccccc12 ZINC000515509324 1040815769 /nfs/dbraw/zinc/81/57/69/1040815769.db2.gz VYWJSVBFLODUHK-IBGZPJMESA-N 1 0 333.410 4.157 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccnc(SC)c2)cc1Cl ZINC000537865154 1040860794 /nfs/dbraw/zinc/86/07/94/1040860794.db2.gz VIGBJYYVOKMERI-UHFFFAOYSA-N 1 0 334.872 4.312 20 30 EIEDRO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483541434 1040886961 /nfs/dbraw/zinc/88/69/61/1040886961.db2.gz HIZPCFIZWGACPL-UHFFFAOYSA-N 1 0 338.304 4.228 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1cscn1 ZINC000537977797 1040947712 /nfs/dbraw/zinc/94/77/12/1040947712.db2.gz VKQQSEHNBVCDLR-JEYLPNPQSA-N 1 0 327.453 4.056 20 30 EIEDRO Cc1c([C@H](C)[NH2+]CC#Cc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000483715465 1040970674 /nfs/dbraw/zinc/97/06/74/1040970674.db2.gz XBNOAAINZCJQGL-INIZCTEOSA-N 1 0 333.410 4.022 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000436282248 1041026872 /nfs/dbraw/zinc/02/68/72/1041026872.db2.gz HDTFWHOEFBKDEO-COXVUDFISA-N 1 0 336.273 4.007 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(OC(F)F)cc1 ZINC000436287012 1041036601 /nfs/dbraw/zinc/03/66/01/1041036601.db2.gz IAMHFPWFDSXSLP-XIRDDKMYSA-N 1 0 325.399 4.310 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000436289302 1041051524 /nfs/dbraw/zinc/05/15/24/1041051524.db2.gz MMHFVHLQCAMAJZ-IGCXYCKISA-N 1 0 328.283 4.495 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000436292612 1041058143 /nfs/dbraw/zinc/05/81/43/1041058143.db2.gz SZGUFPSQTPJWAI-MKBNYLNASA-N 1 0 342.252 4.220 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000436308461 1041065955 /nfs/dbraw/zinc/06/59/55/1041065955.db2.gz PTOTYIKNOFKBRA-CDXJDZJCSA-N 1 0 344.499 4.098 20 30 EIEDRO C[C@@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1F ZINC000436300386 1041069859 /nfs/dbraw/zinc/06/98/59/1041069859.db2.gz LZRSZJUMPFHNLU-CRAIPNDOSA-N 1 0 329.463 4.145 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000436319184 1041089769 /nfs/dbraw/zinc/08/97/69/1041089769.db2.gz ZMFWGTXEDDEXRU-TVRNETQVSA-N 1 0 325.905 4.464 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000436308186 1041095749 /nfs/dbraw/zinc/09/57/49/1041095749.db2.gz LZSXSAGTEBZNSY-XPGWFJOJSA-N 1 0 344.405 4.020 20 30 EIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1OC ZINC000484090680 1041116084 /nfs/dbraw/zinc/11/60/84/1041116084.db2.gz AZCALYPATLZXGK-AWEZNQCLSA-N 1 0 342.414 4.346 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000538222962 1041181445 /nfs/dbraw/zinc/18/14/45/1041181445.db2.gz FINXADSVZRBZPG-WIYYLYMNSA-N 1 0 339.866 4.449 20 30 EIEDRO C[C@@H]1C[C@H](CCNc2c(C#N)cccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000436399878 1041204071 /nfs/dbraw/zinc/20/40/71/1041204071.db2.gz JWWGSDVLKMJJFA-MJGOQNOKSA-N 1 0 344.462 4.143 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000538260643 1041206733 /nfs/dbraw/zinc/20/67/33/1041206733.db2.gz HNBMCLCHAPCHDM-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000425539284 1041226171 /nfs/dbraw/zinc/22/61/71/1041226171.db2.gz TYBYTAWYIHBVPY-MRXNPFEDSA-N 1 0 346.434 4.234 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000538280981 1041237868 /nfs/dbraw/zinc/23/78/68/1041237868.db2.gz ZKSYXTLLHWGJOC-AWEZNQCLSA-N 1 0 328.799 4.259 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000540187130 1041252252 /nfs/dbraw/zinc/25/22/52/1041252252.db2.gz SCHQIHJHORXTIQ-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO Cn1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)cc1C#N ZINC000480385141 1041270710 /nfs/dbraw/zinc/27/07/10/1041270710.db2.gz JLRZZJAPYNFPBX-UHFFFAOYSA-N 1 0 327.859 4.499 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000538406986 1041303505 /nfs/dbraw/zinc/30/35/05/1041303505.db2.gz BXEFWCVIUNJLMA-PNHOKKKMSA-N 1 0 339.870 4.308 20 30 EIEDRO CCC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000538392168 1041307666 /nfs/dbraw/zinc/30/76/66/1041307666.db2.gz NHIITCIBAFANMU-GOSISDBHSA-N 1 0 338.455 4.447 20 30 EIEDRO CCC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000538392169 1041308356 /nfs/dbraw/zinc/30/83/56/1041308356.db2.gz NHIITCIBAFANMU-SFHVURJKSA-N 1 0 338.455 4.447 20 30 EIEDRO CC(C)(C#N)CC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000538464834 1041369939 /nfs/dbraw/zinc/36/99/39/1041369939.db2.gz LSDIOSZVCZOAMD-UHFFFAOYSA-N 1 0 327.291 4.415 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000554743010 1041375047 /nfs/dbraw/zinc/37/50/47/1041375047.db2.gz LSCHDGNKKMVBEX-OAHLLOKOSA-N 1 0 348.475 4.051 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000480564779 1041396656 /nfs/dbraw/zinc/39/66/56/1041396656.db2.gz RYEURBYQDDSFAY-FQEVSTJZSA-N 1 0 340.854 4.084 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000538509025 1041396710 /nfs/dbraw/zinc/39/67/10/1041396710.db2.gz UEURJXTUVMPFKN-HUUCEWRRSA-N 1 0 326.415 4.378 20 30 EIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)Oc1cccc(F)c1 ZINC000538509770 1041398203 /nfs/dbraw/zinc/39/82/03/1041398203.db2.gz QNOAFSUENVVZJA-DYVFJYSZSA-N 1 0 330.378 4.345 20 30 EIEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2Cl)C1 ZINC000463206674 1041420672 /nfs/dbraw/zinc/42/06/72/1041420672.db2.gz YVEOEJVGIYGSMS-UDDICAGYSA-N 1 0 346.902 4.363 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000480599003 1041420845 /nfs/dbraw/zinc/42/08/45/1041420845.db2.gz CMSKNQKKQGOEKH-FQEVSTJZSA-N 1 0 340.854 4.045 20 30 EIEDRO CCOc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)c1 ZINC000540381484 1041430313 /nfs/dbraw/zinc/43/03/13/1041430313.db2.gz VRWNHVZKVXHQJN-CYBMUJFWSA-N 1 0 346.377 4.409 20 30 EIEDRO CC1CCC(Oc2cc(C[NH2+][C@H]3CCC[C@H](C#N)C3)ccn2)CC1 ZINC000463235581 1041442068 /nfs/dbraw/zinc/44/20/68/1041442068.db2.gz GYXXXUFXPRGDFY-TXLGJMDYSA-N 1 0 327.472 4.211 20 30 EIEDRO CC1CC[NH+](CCc2cccc(N[C@H]3CCC[C@H](C#N)C3)c2)CC1 ZINC000463248461 1041453210 /nfs/dbraw/zinc/45/32/10/1041453210.db2.gz UHPRKBHUCZWKJC-FPOVZHCZSA-N 1 0 325.500 4.455 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000463284803 1041474702 /nfs/dbraw/zinc/47/47/02/1041474702.db2.gz QQRTTZLRBUXFJW-TZMCWYRMSA-N 1 0 327.255 4.434 20 30 EIEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000463300604 1041483379 /nfs/dbraw/zinc/48/33/79/1041483379.db2.gz KGFOOFVPKDZXEL-BBRMVZONSA-N 1 0 335.289 4.399 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC000463302024 1041485265 /nfs/dbraw/zinc/48/52/65/1041485265.db2.gz NVIZHISDXSRAOD-JLSDUUJJSA-N 1 0 349.881 4.115 20 30 EIEDRO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001270130087 1041490746 /nfs/dbraw/zinc/49/07/46/1041490746.db2.gz AIWBIVLLISUIFU-IEBWSBKVSA-N 1 0 328.500 4.006 20 30 EIEDRO C=CCOc1c(Br)cc(C[N@H+](C)C2CCC2)cc1OC ZINC000538735937 1041507102 /nfs/dbraw/zinc/50/71/02/1041507102.db2.gz OARBMKVTDZBZDC-UHFFFAOYSA-N 1 0 340.261 4.007 20 30 EIEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000540593974 1041550731 /nfs/dbraw/zinc/55/07/31/1041550731.db2.gz WXUXMHJPDDWUTE-OXJNMPFZSA-N 1 0 337.442 4.325 20 30 EIEDRO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CC2(C#N)CC2)c1 ZINC000540589493 1041556624 /nfs/dbraw/zinc/55/66/24/1041556624.db2.gz ANVBNURZEPFNFU-OAQYLSRUSA-N 1 0 334.463 4.489 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1Cl ZINC000540644734 1041585449 /nfs/dbraw/zinc/58/54/49/1041585449.db2.gz RDJJIISKNUCSEO-HNNXBMFYSA-N 1 0 337.891 4.183 20 30 EIEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538957153 1041590014 /nfs/dbraw/zinc/59/00/14/1041590014.db2.gz OXGMZCUZKRQOQO-ZIAGYGMSSA-N 1 0 345.512 4.090 20 30 EIEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)C1 ZINC000437091233 1041639286 /nfs/dbraw/zinc/63/92/86/1041639286.db2.gz QRLKFLBBCJKINO-CQVJONBTSA-N 1 0 327.472 4.058 20 30 EIEDRO CCc1ccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)o1 ZINC000437099486 1041644149 /nfs/dbraw/zinc/64/41/49/1041644149.db2.gz UWXBFOXLHJJCFM-NXVRBGIVSA-N 1 0 339.439 4.149 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000437102485 1041659723 /nfs/dbraw/zinc/65/97/23/1041659723.db2.gz ZZLOJODYEMCYFG-DZIBYMRMSA-N 1 0 335.451 4.303 20 30 EIEDRO N#Cc1ccc(F)c(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC000516723346 1041718366 /nfs/dbraw/zinc/71/83/66/1041718366.db2.gz ATMUQISTYIIDHY-UHFFFAOYSA-N 1 0 338.426 4.248 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000506012595 1041728748 /nfs/dbraw/zinc/72/87/48/1041728748.db2.gz PIGJBNGXKSYRTJ-UHFFFAOYSA-N 1 0 339.464 4.335 20 30 EIEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C[C@H]1C ZINC000463743971 1041734019 /nfs/dbraw/zinc/73/40/19/1041734019.db2.gz JCZOGDYVNMBVBM-SNPYCJMFSA-N 1 0 327.472 4.058 20 30 EIEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000540983097 1041765902 /nfs/dbraw/zinc/76/59/02/1041765902.db2.gz SYHFTYVLAQAXEI-IRLDBZIGSA-N 1 0 339.527 4.327 20 30 EIEDRO N#CCC1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000540995405 1041767425 /nfs/dbraw/zinc/76/74/25/1041767425.db2.gz MRLPTQAUKTUMET-UHFFFAOYSA-N 1 0 345.446 4.263 20 30 EIEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000460350997 1041786860 /nfs/dbraw/zinc/78/68/60/1041786860.db2.gz LXMYPVYVHOXMNA-BBRMVZONSA-N 1 0 333.863 4.099 20 30 EIEDRO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000516900110 1041806997 /nfs/dbraw/zinc/80/69/97/1041806997.db2.gz XWCXCKAFQJTVES-UWJYYQICSA-N 1 0 347.462 4.012 20 30 EIEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000516900109 1041807031 /nfs/dbraw/zinc/80/70/31/1041807031.db2.gz XWCXCKAFQJTVES-UTKZUKDTSA-N 1 0 347.462 4.012 20 30 EIEDRO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCCC[C@@H]21 ZINC000541112092 1041819601 /nfs/dbraw/zinc/81/96/01/1041819601.db2.gz LMYCDFXGHKSGBB-MBOZVWFJSA-N 1 0 349.478 4.248 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)c(OC)c1 ZINC000541282753 1041882408 /nfs/dbraw/zinc/88/24/08/1041882408.db2.gz TUMQPWHMGOVRFR-HXUWFJFHSA-N 1 0 336.435 4.107 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000541323136 1041892296 /nfs/dbraw/zinc/89/22/96/1041892296.db2.gz FJIQXDZOONPJSI-NRFANRHFSA-N 1 0 336.435 4.011 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000517250944 1041925909 /nfs/dbraw/zinc/92/59/09/1041925909.db2.gz XYJGSEJCEHLFCG-GMXABZIVSA-N 1 0 342.302 4.069 20 30 EIEDRO CCc1ccc([C@@H]([NH2+]CCCCC#N)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543277 1041990927 /nfs/dbraw/zinc/99/09/27/1041990927.db2.gz KMMISACHOLNLCW-SFHVURJKSA-N 1 0 327.384 4.123 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3c[nH]nc3-c3ccsc3)CC2)cc1 ZINC000438109720 1042053005 /nfs/dbraw/zinc/05/30/05/1042053005.db2.gz LSSOYXNPUUOGLA-UHFFFAOYSA-N 1 0 346.459 4.299 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700916 1042077155 /nfs/dbraw/zinc/07/71/55/1042077155.db2.gz GWZPBSAZWKIKSP-RTBURBONSA-N 1 0 342.389 4.189 20 30 EIEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000464757640 1042151893 /nfs/dbraw/zinc/15/18/93/1042151893.db2.gz NRGGSOGCMMMAFM-INIZCTEOSA-N 1 0 326.440 4.312 20 30 EIEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000464764970 1042154493 /nfs/dbraw/zinc/15/44/93/1042154493.db2.gz JDABBUNVXZANTK-QGZVFWFLSA-N 1 0 339.483 4.322 20 30 EIEDRO N#Cc1ccccc1OCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464765366 1042154857 /nfs/dbraw/zinc/15/48/57/1042154857.db2.gz LKWDZLWADDBQFH-KRWDZBQOSA-N 1 0 338.476 4.051 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464838460 1042182546 /nfs/dbraw/zinc/18/25/46/1042182546.db2.gz ZVOMXVISLVJYBK-MOPGFXCFSA-N 1 0 333.479 4.216 20 30 EIEDRO Clc1cccc(C#CC[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000438474847 1042205474 /nfs/dbraw/zinc/20/54/74/1042205474.db2.gz JTMIWAAEYIQOTA-UHFFFAOYSA-N 1 0 331.887 4.363 20 30 EIEDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005373 1042227522 /nfs/dbraw/zinc/22/75/22/1042227522.db2.gz IYRVAYHTXXWBKG-IRXDYDNUSA-N 1 0 349.478 4.133 20 30 EIEDRO CC(C)C1CCC([NH+]2CCN(CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000438552453 1042244019 /nfs/dbraw/zinc/24/40/19/1042244019.db2.gz IMDBKDPVHQRIOU-UHFFFAOYSA-N 1 0 342.502 4.010 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(CCCO)CC2)cc1 ZINC000542058213 1042253548 /nfs/dbraw/zinc/25/35/48/1042253548.db2.gz MHPQVTCBTXDUEE-UHFFFAOYSA-N 1 0 334.463 4.210 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542107062 1042288461 /nfs/dbraw/zinc/28/84/61/1042288461.db2.gz ZQJNJJSQFJGARU-HKARXFIJSA-N 1 0 345.490 4.359 20 30 EIEDRO CC[N@H+](CCCCC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000542209460 1042346773 /nfs/dbraw/zinc/34/67/73/1042346773.db2.gz PXCVRUSVOBNLLL-MRXNPFEDSA-N 1 0 330.472 4.453 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)ccc1OC(C)C ZINC000542256656 1042361468 /nfs/dbraw/zinc/36/14/68/1042361468.db2.gz WJBZMEUMEJZJOI-MRXNPFEDSA-N 1 0 338.451 4.399 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)cc1Cl ZINC000518208024 1042411781 /nfs/dbraw/zinc/41/17/81/1042411781.db2.gz NMIZZWBHIRQZAR-IBGZPJMESA-N 1 0 337.891 4.135 20 30 EIEDRO CCC(=O)Nc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000518276945 1042454857 /nfs/dbraw/zinc/45/48/57/1042454857.db2.gz TZNQNBIUFYWNKD-NRFANRHFSA-N 1 0 347.462 4.464 20 30 EIEDRO Cc1cccnc1[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000437883737 1042457476 /nfs/dbraw/zinc/45/74/76/1042457476.db2.gz PFCIVOGQVWIYQW-QGZVFWFLSA-N 1 0 345.393 4.350 20 30 EIEDRO CCOC1(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCCC1 ZINC000549879584 1042460688 /nfs/dbraw/zinc/46/06/88/1042460688.db2.gz IGCGPRIZWUTWGR-UHFFFAOYSA-N 1 0 326.362 4.016 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000271900911 1042492597 /nfs/dbraw/zinc/49/25/97/1042492597.db2.gz ALIFMODOCIWQND-CABCVRRESA-N 1 0 341.405 4.014 20 30 EIEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000443849415 1042519473 /nfs/dbraw/zinc/51/94/73/1042519473.db2.gz DFWDZTWTDUIRPF-SGZDXZSOSA-N 1 0 339.483 4.225 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccsc1 ZINC000669940070 1042519917 /nfs/dbraw/zinc/51/99/17/1042519917.db2.gz WEEKTGBYANZFBL-GFCCVEGCSA-N 1 0 325.355 4.349 20 30 EIEDRO [NH2+]=C(NC[C@H]1CCCO[C@H]1c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000261978581 1042540071 /nfs/dbraw/zinc/54/00/71/1042540071.db2.gz HAVTWWVUIKATOE-CTNGQTDRSA-N 1 0 349.478 4.070 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@@H](C)c2ccccc2F)cc(OC)c1O ZINC000506552656 1042592672 /nfs/dbraw/zinc/59/26/72/1042592672.db2.gz MHPBSWZNOTZYFE-AWEZNQCLSA-N 1 0 329.415 4.461 20 30 EIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)Cc1cccc2[nH]ccc21 ZINC000426371937 1042610631 /nfs/dbraw/zinc/61/06/31/1042610631.db2.gz NHRCIOBYVLWIFI-UHFFFAOYSA-N 1 0 333.435 4.482 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439430979 1042622328 /nfs/dbraw/zinc/62/23/28/1042622328.db2.gz OCZKBCZJFYSOQQ-DAYGRLMNSA-N 1 0 331.891 4.049 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000439435536 1042623467 /nfs/dbraw/zinc/62/34/67/1042623467.db2.gz FMDPYYQPBYARPI-HXUWFJFHSA-N 1 0 338.838 4.233 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(Br)c1 ZINC000048609593 1042640120 /nfs/dbraw/zinc/64/01/20/1042640120.db2.gz RAUKOSDEYLJDBE-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO N#Cc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000439461635 1042648087 /nfs/dbraw/zinc/64/80/87/1042648087.db2.gz LOBPSBNTYRECPH-ICSRJNTNSA-N 1 0 335.838 4.483 20 30 EIEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c1 ZINC000443961237 1042685668 /nfs/dbraw/zinc/68/56/68/1042685668.db2.gz HFUJUKZEKZQCPD-HNNXBMFYSA-N 1 0 335.451 4.141 20 30 EIEDRO CC(C)N(Cc1ccco1)Cc1cc(C#N)ccc1Br ZINC000492606720 1042707392 /nfs/dbraw/zinc/70/73/92/1042707392.db2.gz LMCFMADIASSNHT-UHFFFAOYSA-N 1 0 333.229 4.324 20 30 EIEDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000426455776 1042715255 /nfs/dbraw/zinc/71/52/55/1042715255.db2.gz UMRNIRSBPJIIOS-JOCHJYFZSA-N 1 0 334.463 4.210 20 30 EIEDRO CCOc1cc(C[NH2+]Cc2ccc(C#N)c(C)c2)ccc1OC(F)F ZINC000443978475 1042716836 /nfs/dbraw/zinc/71/68/36/1042716836.db2.gz KPXNXZYUHRMZPK-UHFFFAOYSA-N 1 0 346.377 4.157 20 30 EIEDRO Cc1cc(C[C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)n(-c2ccccc2)n1 ZINC000443982504 1042717929 /nfs/dbraw/zinc/71/79/29/1042717929.db2.gz CSPZBALQHIIOSM-QGZVFWFLSA-N 1 0 344.462 4.082 20 30 EIEDRO CCCCOc1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)cc1OC ZINC000443984418 1042723698 /nfs/dbraw/zinc/72/36/98/1042723698.db2.gz XKSWDRXTEBFHQG-UHFFFAOYSA-N 1 0 338.451 4.344 20 30 EIEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444001361 1042746009 /nfs/dbraw/zinc/74/60/09/1042746009.db2.gz BTLGWTYNSRSWIJ-KUHUBIRLSA-N 1 0 328.843 4.386 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000177911025 1042854223 /nfs/dbraw/zinc/85/42/23/1042854223.db2.gz YMOCWONYCZRAMW-CXAGYDPISA-N 1 0 349.316 4.237 20 30 EIEDRO C[C@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000311384581 1042858526 /nfs/dbraw/zinc/85/85/26/1042858526.db2.gz WGXXYCBVARLARB-GHTZIAJQSA-N 1 0 349.478 4.444 20 30 EIEDRO CC(C)CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 ZINC000441525552 1042875603 /nfs/dbraw/zinc/87/56/03/1042875603.db2.gz NWKBCGVWOLWRAB-UHFFFAOYSA-N 1 0 338.455 4.399 20 30 EIEDRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000152523659 1042892011 /nfs/dbraw/zinc/89/20/11/1042892011.db2.gz YDMMTWWECDSXRG-CQSZACIVSA-N 1 0 346.377 4.177 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1-c1ccnn1C ZINC000507784618 1042928415 /nfs/dbraw/zinc/92/84/15/1042928415.db2.gz MPBOEZPXJXHMQA-UHFFFAOYSA-N 1 0 342.446 4.147 20 30 EIEDRO Cc1cc(-c2noc([C@H]3[NH2+]CCC[C@@H]3c3ccccc3)n2)ccc1C#N ZINC001211870611 1042938515 /nfs/dbraw/zinc/93/85/15/1042938515.db2.gz SXVBRQVWDFQJAC-MOPGFXCFSA-N 1 0 344.418 4.125 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000152931434 1043022721 /nfs/dbraw/zinc/02/27/21/1043022721.db2.gz GNXLLIQYMFKKQR-IBGZPJMESA-N 1 0 341.543 4.368 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC000766032463 1043079838 /nfs/dbraw/zinc/07/98/38/1043079838.db2.gz VPZKGNRVHOKUFX-VQIMIIECSA-N 1 0 345.870 4.072 20 30 EIEDRO COc1cc(OC)c([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1Cl ZINC000282462271 1043151935 /nfs/dbraw/zinc/15/19/35/1043151935.db2.gz VSNKRSMTPSUJBF-HSBZDZAISA-N 1 0 336.863 4.338 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2nccc3ccccc32)cc1 ZINC000673929446 1043168299 /nfs/dbraw/zinc/16/82/99/1043168299.db2.gz GJJFXUFWXKCGNO-UHFFFAOYSA-N 1 0 340.348 4.395 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(F)cc(F)c2)ccc1OC ZINC000057960564 1043205525 /nfs/dbraw/zinc/20/55/25/1043205525.db2.gz FOSGNRDMIMTSBK-UHFFFAOYSA-N 1 0 333.378 4.218 20 30 EIEDRO Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H](C#N)C3)s2)cs1 ZINC000185762403 1043218688 /nfs/dbraw/zinc/21/86/88/1043218688.db2.gz AYMNBYOIDBYRBJ-UONOGXRCSA-N 1 0 331.510 4.395 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000185879017 1043228583 /nfs/dbraw/zinc/22/85/83/1043228583.db2.gz OCDPIWFCCXTALR-TYPHKJRUSA-N 1 0 340.511 4.102 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000356667886 1043235266 /nfs/dbraw/zinc/23/52/66/1043235266.db2.gz BGBADBXAYKWRCC-SFHVURJKSA-N 1 0 349.316 4.067 20 30 EIEDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000186575781 1043293618 /nfs/dbraw/zinc/29/36/18/1043293618.db2.gz XNJOVRIOAIOPEB-UHFFFAOYSA-N 1 0 346.478 4.399 20 30 EIEDRO C=CCC[C@H](C(=O)N(CC)CCC[NH+]1CCCC1)c1ccccc1 ZINC000508196056 1043306083 /nfs/dbraw/zinc/30/60/83/1043306083.db2.gz QQGZQEUGHWCVRG-FQEVSTJZSA-N 1 0 328.500 4.071 20 30 EIEDRO C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000282509986 1043332770 /nfs/dbraw/zinc/33/27/70/1043332770.db2.gz RWZPOWVNMWXXBG-HNNXBMFYSA-N 1 0 345.512 4.141 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000625702618 1043360481 /nfs/dbraw/zinc/36/04/81/1043360481.db2.gz HRLTVBSAVDKPDD-CQSZACIVSA-N 1 0 344.480 4.225 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC000520888068 1043426263 /nfs/dbraw/zinc/42/62/63/1043426263.db2.gz DWTZTNUEXYPENY-QGZVFWFLSA-N 1 0 349.544 4.100 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000494468429 1043503287 /nfs/dbraw/zinc/50/32/87/1043503287.db2.gz ATBGRYLQYHOSQH-MOPGFXCFSA-N 1 0 344.817 4.165 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000494516584 1043535944 /nfs/dbraw/zinc/53/59/44/1043535944.db2.gz VEWUFBAIEZSUPK-LLVKDONJSA-N 1 0 349.312 4.336 20 30 EIEDRO C=CCC1(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CCC1 ZINC000189462912 1043573460 /nfs/dbraw/zinc/57/34/60/1043573460.db2.gz NLEGGDVJHQEFOK-GOSISDBHSA-N 1 0 332.532 4.236 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000494556877 1043589376 /nfs/dbraw/zinc/58/93/76/1043589376.db2.gz ZBXQLHMXXSNHHT-KBPBESRZSA-N 1 0 333.476 4.030 20 30 EIEDRO C=C1CC[NH+](C[C@@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000521253113 1043676526 /nfs/dbraw/zinc/67/65/26/1043676526.db2.gz WWPSHEZBCQKGGA-MRXNPFEDSA-N 1 0 337.891 4.164 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1F ZINC000731212090 1043713428 /nfs/dbraw/zinc/71/34/28/1043713428.db2.gz RPODTBGQWOPNGX-UHFFFAOYSA-N 1 0 326.415 4.386 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC000731211496 1043714431 /nfs/dbraw/zinc/71/44/31/1043714431.db2.gz LCMDPOJZDPQZKU-UHFFFAOYSA-N 1 0 338.426 4.183 20 30 EIEDRO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000114733718 1043740079 /nfs/dbraw/zinc/74/00/79/1043740079.db2.gz QPOKONFDQRYPCX-YOEHRIQHSA-N 1 0 339.464 4.092 20 30 EIEDRO Cn1cc(C[NH2+][C@H](c2ccccc2)c2cccc(Cl)c2)cc1C#N ZINC000190900050 1043745524 /nfs/dbraw/zinc/74/55/24/1043745524.db2.gz LXBVHWVSMAOJDR-HXUWFJFHSA-N 1 0 335.838 4.429 20 30 EIEDRO C=CCC1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCC1 ZINC000191326839 1043808998 /nfs/dbraw/zinc/80/89/98/1043808998.db2.gz BRXQYKXZLCDQLD-UHFFFAOYSA-N 1 0 326.484 4.035 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1C#N ZINC000172688493 1043815271 /nfs/dbraw/zinc/81/52/71/1043815271.db2.gz RNBKIWITIHIZMR-MRXNPFEDSA-N 1 0 328.412 4.033 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CCc3ccc(-c4ccccc4)cc32)cc1C#N ZINC000191618402 1043830315 /nfs/dbraw/zinc/83/03/15/1043830315.db2.gz PAKVGQDCZWYNTJ-QFIPXVFZSA-N 1 0 327.431 4.341 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)C1 ZINC000442787159 1043835422 /nfs/dbraw/zinc/83/54/22/1043835422.db2.gz CRZCYUPFTVUGAF-DYESRHJHSA-N 1 0 332.447 4.460 20 30 EIEDRO CC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)Oc1cccc(C(F)(F)F)c1 ZINC000442791776 1043841046 /nfs/dbraw/zinc/84/10/46/1043841046.db2.gz MOIBHSSSEJQIBQ-NWANDNLSSA-N 1 0 326.362 4.145 20 30 EIEDRO COc1ccc(C2(C[NH2+][C@H]3CC[C@H](C#N)C3)CCCCC2)cc1OC ZINC000442797734 1043844982 /nfs/dbraw/zinc/84/49/82/1043844982.db2.gz XLHYYFMBKVYOEW-WMZOPIPTSA-N 1 0 342.483 4.188 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000442823399 1043849414 /nfs/dbraw/zinc/84/94/14/1043849414.db2.gz FGCIGRRYDQMXQV-SWLSCSKDSA-N 1 0 331.872 4.288 20 30 EIEDRO CC1(C)C[C@H]([NH2+]CC2CCC(C#N)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000442858753 1043877236 /nfs/dbraw/zinc/87/72/36/1043877236.db2.gz SYFPBASVWRFLOG-JRSKDTKFSA-N 1 0 327.428 4.237 20 30 EIEDRO C=CCn1c2ccccc2n(C[N@@H+]2CC[C@H](c3ccco3)C2)c1=S ZINC000732183587 1043883863 /nfs/dbraw/zinc/88/38/63/1043883863.db2.gz RHIPJBXHOJHREZ-HNNXBMFYSA-N 1 0 339.464 4.398 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000442891758 1043885973 /nfs/dbraw/zinc/88/59/73/1043885973.db2.gz CWYUNKRBQPTASX-OAHLLOKOSA-N 1 0 338.476 4.245 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000011047982 1043942950 /nfs/dbraw/zinc/94/29/50/1043942950.db2.gz JQCICHMEYFAKJT-QFIPXVFZSA-N 1 0 328.415 4.446 20 30 EIEDRO Cc1c(Cl)cnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1C#N ZINC000543137780 1043949522 /nfs/dbraw/zinc/94/95/22/1043949522.db2.gz MEDLEDQFKLSGCN-INIZCTEOSA-N 1 0 346.906 4.008 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000521828212 1043997716 /nfs/dbraw/zinc/99/77/16/1043997716.db2.gz KNYWBUCVCZLNRK-GHTZIAJQSA-N 1 0 336.479 4.177 20 30 EIEDRO CCOc1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(F)cc1F ZINC001212528930 1044008488 /nfs/dbraw/zinc/00/84/88/1044008488.db2.gz VPUKHZVIQDGIJC-UHFFFAOYSA-N 1 0 349.406 4.028 20 30 EIEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000732987228 1044064755 /nfs/dbraw/zinc/06/47/55/1044064755.db2.gz RKLVERFUHLHDNY-IBGZPJMESA-N 1 0 328.362 4.052 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1OCC ZINC000543184573 1044071935 /nfs/dbraw/zinc/07/19/35/1044071935.db2.gz DHRHIKXFQGIHCF-MRXNPFEDSA-N 1 0 338.451 4.401 20 30 EIEDRO COc1ccnc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000543186205 1044076274 /nfs/dbraw/zinc/07/62/74/1044076274.db2.gz UGIYZKMFPHXSGP-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000443200414 1044089022 /nfs/dbraw/zinc/08/90/22/1044089022.db2.gz GDXMQHSLIFVHDW-ZOCZFRKYSA-N 1 0 339.458 4.348 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCSCc2ccccc2)cc1 ZINC000733323003 1044182409 /nfs/dbraw/zinc/18/24/09/1044182409.db2.gz IKZYBVBFBCMBDJ-UHFFFAOYSA-N 1 0 325.477 4.112 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCOc3c(CC)cccc32)cc1 ZINC000733328173 1044194010 /nfs/dbraw/zinc/19/40/10/1044194010.db2.gz JOUHTLQOUSTECS-NRFANRHFSA-N 1 0 335.447 4.265 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000733329322 1044198398 /nfs/dbraw/zinc/19/83/98/1044198398.db2.gz DNVLRHDUIOBESI-UHFFFAOYSA-N 1 0 345.849 4.161 20 30 EIEDRO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245911366 1044210859 /nfs/dbraw/zinc/21/08/59/1044210859.db2.gz FWXQGKRQZIYEKJ-KSFYIVLOSA-N 1 0 342.446 4.152 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000390330053 1044214214 /nfs/dbraw/zinc/21/42/14/1044214214.db2.gz SFOHBAGULSFXOS-ZDUSSCGKSA-N 1 0 325.378 4.253 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)CSC)c1ccc(C(F)(F)F)cc1 ZINC000494786672 1044245340 /nfs/dbraw/zinc/24/53/40/1044245340.db2.gz GNJCCWSKZKMMAX-HUUCEWRRSA-N 1 0 333.419 4.026 20 30 EIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)o1 ZINC000174298204 1044252187 /nfs/dbraw/zinc/25/21/87/1044252187.db2.gz JTPPYPNFTBNSBR-GFCCVEGCSA-N 1 0 333.229 4.025 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(C#N)cc1 ZINC000174388766 1044266442 /nfs/dbraw/zinc/26/64/42/1044266442.db2.gz AOPSYUDLLWMBRC-HNNXBMFYSA-N 1 0 330.435 4.023 20 30 EIEDRO CCC(CC)(CNCc1ccc(C#N)o1)[NH2+][C@@H](C)c1ccccc1 ZINC000174419139 1044269020 /nfs/dbraw/zinc/26/90/20/1044269020.db2.gz PZCWDHVDMPQSMA-INIZCTEOSA-N 1 0 325.456 4.150 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(N=Nc3ncnc4sccc43)CC2)C1 ZINC000733744255 1044296860 /nfs/dbraw/zinc/29/68/60/1044296860.db2.gz FJBFTGWKTUNPEK-ZFWWWQNUSA-N 1 0 343.500 4.134 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3nncc4ccccc43)CC2)C1 ZINC000733744984 1044296893 /nfs/dbraw/zinc/29/68/93/1044296893.db2.gz AHASWSKFQBQFMR-CRAIPNDOSA-N 1 0 337.471 4.072 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N=Nc3cnc4ccccc4n3)CC2)C1 ZINC000733747073 1044298738 /nfs/dbraw/zinc/29/87/38/1044298738.db2.gz FLVHCLVEZRTKHJ-WBVHZDCISA-N 1 0 337.471 4.072 20 30 EIEDRO C=CCCC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000172943669 1044332560 /nfs/dbraw/zinc/33/25/60/1044332560.db2.gz YAIRQYDMDMNHKC-FQEVSTJZSA-N 1 0 343.492 4.044 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(-n4ccnc4)cc3)CC2)cc1 ZINC000347996235 1044349736 /nfs/dbraw/zinc/34/97/36/1044349736.db2.gz SEMZKSFTWCOWKH-UHFFFAOYSA-N 1 0 340.430 4.033 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000466380972 1044354027 /nfs/dbraw/zinc/35/40/27/1044354027.db2.gz QTJPRPBPBKHZMI-AWEZNQCLSA-N 1 0 334.261 4.284 20 30 EIEDRO C=CCCCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000474080463 1044367986 /nfs/dbraw/zinc/36/79/86/1044367986.db2.gz NFUYYTSTQJYRRU-QUCCMNQESA-N 1 0 343.515 4.037 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000466406840 1044396870 /nfs/dbraw/zinc/39/68/70/1044396870.db2.gz ZGELOGMPYYAAAK-CYBMUJFWSA-N 1 0 342.277 4.301 20 30 EIEDRO Cc1cc(C[NH2+]CCc2cccc(C#N)c2)sc1Br ZINC000466410702 1044402794 /nfs/dbraw/zinc/40/27/94/1044402794.db2.gz SKMFPQTXJAOBQQ-UHFFFAOYSA-N 1 0 335.270 4.023 20 30 EIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCc1cccc(C#N)c1 ZINC000466411800 1044403478 /nfs/dbraw/zinc/40/34/78/1044403478.db2.gz GTAZRRPXSIINEZ-UHFFFAOYSA-N 1 0 344.462 4.200 20 30 EIEDRO CCCCOc1ccc(C[NH2+]CCc2cccc(C#N)c2)cc1OC ZINC000466408058 1044409568 /nfs/dbraw/zinc/40/95/68/1044409568.db2.gz FFWHSMNNAONBOR-UHFFFAOYSA-N 1 0 338.451 4.078 20 30 EIEDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929835222 1044417632 /nfs/dbraw/zinc/41/76/32/1044417632.db2.gz QOCJCAAYRAYFGQ-QGZVFWFLSA-N 1 0 334.504 4.294 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC000466425844 1044449382 /nfs/dbraw/zinc/44/93/82/1044449382.db2.gz PQMOQIODYQCDQJ-UHFFFAOYSA-N 1 0 336.769 4.145 20 30 EIEDRO C=C(C[NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1ccccc1 ZINC000675783626 1044496957 /nfs/dbraw/zinc/49/69/57/1044496957.db2.gz NEQUAHIVLSRMSO-UHFFFAOYSA-N 1 0 328.406 4.237 20 30 EIEDRO N#Cc1c(F)cccc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000142825930 1044506487 /nfs/dbraw/zinc/50/64/87/1044506487.db2.gz QYSDNNYECBFGHG-AWEZNQCLSA-N 1 0 329.444 4.083 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3s2)cc1 ZINC000734163125 1044508268 /nfs/dbraw/zinc/50/82/68/1044508268.db2.gz AXFPBUVHTRACKY-KBPBESRZSA-N 1 0 337.448 4.438 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](c2ccccc2C)C(C)C)cc1 ZINC001168722549 1044515757 /nfs/dbraw/zinc/51/57/57/1044515757.db2.gz FTIHORZMKQNBBJ-JOCHJYFZSA-N 1 0 334.463 4.292 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2cnn(C)c2C)C(C)(C)C)cc1 ZINC000675892604 1044541122 /nfs/dbraw/zinc/54/11/22/1044541122.db2.gz GUHOJNZUXQOPLK-UHFFFAOYSA-N 1 0 327.472 4.094 20 30 EIEDRO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000439321832 1044548138 /nfs/dbraw/zinc/54/81/38/1044548138.db2.gz KQOLDCVAAAXAEY-PKOBYXMFSA-N 1 0 347.462 4.155 20 30 EIEDRO COc1cc2c(cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1)O[C@H](C)C2 ZINC000543413949 1044559045 /nfs/dbraw/zinc/55/90/45/1044559045.db2.gz IYGFEFYQDQHLBR-OAHLLOKOSA-N 1 0 348.446 4.055 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000494984357 1044571147 /nfs/dbraw/zinc/57/11/47/1044571147.db2.gz DXEVZQPJSYRCIX-CVVKJMNTSA-N 1 0 330.447 4.213 20 30 EIEDRO C=C[C@@H](C)[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000675934455 1044577094 /nfs/dbraw/zinc/57/70/94/1044577094.db2.gz ZQXCOYCFHXEIQL-CHWSQXEVSA-N 1 0 346.496 4.285 20 30 EIEDRO C=C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000675934142 1044578031 /nfs/dbraw/zinc/57/80/31/1044578031.db2.gz JDBLGUSJZHKPDL-VHSXEESVSA-N 1 0 334.769 4.240 20 30 EIEDRO CC(C)(C#N)CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000443636323 1044581837 /nfs/dbraw/zinc/58/18/37/1044581837.db2.gz AXFRCNRDEVSHNB-UHFFFAOYSA-N 1 0 339.405 4.157 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cnc(Br)c(C)c1)c1ccccc1 ZINC001168724029 1044587259 /nfs/dbraw/zinc/58/72/59/1044587259.db2.gz QSCZFCMGDWIBFG-INIZCTEOSA-N 1 0 329.241 4.007 20 30 EIEDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000734477762 1044588089 /nfs/dbraw/zinc/58/80/89/1044588089.db2.gz SQBKGIVHHPSZRU-UWJYYQICSA-N 1 0 342.446 4.257 20 30 EIEDRO C=CC[C@@H]([NH2+]Cc1sc2nc(C)nc(C)c2c1C)c1ccncc1 ZINC000734509667 1044593434 /nfs/dbraw/zinc/59/34/34/1044593434.db2.gz OGNIKMFDMDIRQP-MRXNPFEDSA-N 1 0 338.480 4.419 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)c(OC(F)F)c1 ZINC000543439733 1044608919 /nfs/dbraw/zinc/60/89/19/1044608919.db2.gz ICTOTVPLALDNRD-MRXNPFEDSA-N 1 0 334.391 4.462 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(OC)nc3ccccc23)cc1 ZINC000766197571 1044613998 /nfs/dbraw/zinc/61/39/98/1044613998.db2.gz FXRSQGLRRYHPBX-INIZCTEOSA-N 1 0 346.430 4.106 20 30 EIEDRO C=CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000495049215 1044614288 /nfs/dbraw/zinc/61/42/88/1044614288.db2.gz QZBUYRIFGKSAPV-FCHUYYIVSA-N 1 0 348.490 4.127 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc(C#N)c1 ZINC000495091720 1044661683 /nfs/dbraw/zinc/66/16/83/1044661683.db2.gz SVVCBPJUXDOSIU-BBRMVZONSA-N 1 0 343.833 4.280 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2csc(-c3cccs3)n2)CC1 ZINC000106245012 1044784077 /nfs/dbraw/zinc/78/40/77/1044784077.db2.gz JBYYNAFZMFHFGP-UHFFFAOYSA-N 1 0 333.526 4.002 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cc(C#N)cs1 ZINC000092664265 1044786276 /nfs/dbraw/zinc/78/62/76/1044786276.db2.gz KIFCQLGUTJTRPZ-UHFFFAOYSA-N 1 0 337.448 4.339 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccccc1 ZINC000428870162 1044786463 /nfs/dbraw/zinc/78/64/63/1044786463.db2.gz DRNQZFOYVDXHNS-KRWDZBQOSA-N 1 0 335.451 4.358 20 30 EIEDRO C[N@H+](CCc1ccccc1F)Cc1cc(Cl)ccc1OCC#N ZINC000735309145 1044787121 /nfs/dbraw/zinc/78/71/21/1044787121.db2.gz HBPDXDOANUQKGL-UHFFFAOYSA-N 1 0 332.806 4.056 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000506616084 1044835705 /nfs/dbraw/zinc/83/57/05/1044835705.db2.gz KRADAXKGHZRAHQ-UHFFFAOYSA-N 1 0 342.446 4.328 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)o1 ZINC000093838172 1044857749 /nfs/dbraw/zinc/85/77/49/1044857749.db2.gz GIXCHOIEZZQOHX-AWEZNQCLSA-N 1 0 330.815 4.096 20 30 EIEDRO C=C(C)CC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000508990913 1044878857 /nfs/dbraw/zinc/87/88/57/1044878857.db2.gz JCNJAMXVDVDAOC-UHFFFAOYSA-N 1 0 327.299 4.120 20 30 EIEDRO CC[C@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[NH+](CC)CC ZINC000736003306 1044887406 /nfs/dbraw/zinc/88/74/06/1044887406.db2.gz XOISJDIBYPPEBF-NHCUHLMSSA-N 1 0 349.478 4.401 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000466659919 1044928099 /nfs/dbraw/zinc/92/80/99/1044928099.db2.gz ZXTMDCIANWZEAQ-ZIAGYGMSSA-N 1 0 345.512 4.090 20 30 EIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1ccc(C#N)cc1 ZINC000125387669 1044989499 /nfs/dbraw/zinc/98/94/99/1044989499.db2.gz DBYBBNGAOWJYHH-UHFFFAOYSA-N 1 0 337.492 4.028 20 30 EIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000474479321 1045020730 /nfs/dbraw/zinc/02/07/30/1045020730.db2.gz NWTSXJNSNUJNDQ-OWCLPIDISA-N 1 0 338.451 4.418 20 30 EIEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000303606356 1045038217 /nfs/dbraw/zinc/03/82/17/1045038217.db2.gz VVEGPNMYWHOLBJ-FQEVSTJZSA-N 1 0 344.499 4.037 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CC=C(c3cccc(C)c3)CC2)cc1 ZINC001168487976 1045087078 /nfs/dbraw/zinc/08/70/78/1045087078.db2.gz QWYCFMUXOKMMLS-UHFFFAOYSA-N 1 0 344.458 4.094 20 30 EIEDRO CCCCCCCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738963242 1045115068 /nfs/dbraw/zinc/11/50/68/1045115068.db2.gz NFJYGRQSJCDQBG-IBGZPJMESA-N 1 0 337.552 4.397 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(Br)c1 ZINC000035231468 1045149366 /nfs/dbraw/zinc/14/93/66/1045149366.db2.gz VBSBVDUJONECGW-CYBMUJFWSA-N 1 0 345.240 4.202 20 30 EIEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 ZINC000161735817 1045160263 /nfs/dbraw/zinc/16/02/63/1045160263.db2.gz CNEJZGGMOWIYNP-IIBYNOLFSA-N 1 0 346.478 4.150 20 30 EIEDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 ZINC000161735570 1045160702 /nfs/dbraw/zinc/16/07/02/1045160702.db2.gz CNEJZGGMOWIYNP-IERDGZPVSA-N 1 0 346.478 4.150 20 30 EIEDRO Cc1cc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)ccc1C#N ZINC000487927665 1045206465 /nfs/dbraw/zinc/20/64/65/1045206465.db2.gz GIFRCLDFDJKZCM-UHFFFAOYSA-N 1 0 326.484 4.426 20 30 EIEDRO CCCC[C@@H](CC)C[N@@H+]1CCCC2(CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC001272610759 1045222100 /nfs/dbraw/zinc/22/21/00/1045222100.db2.gz LNOCILCJKLDPIN-RBUKOAKNSA-N 1 0 347.547 4.067 20 30 EIEDRO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192992 1045260882 /nfs/dbraw/zinc/26/08/82/1045260882.db2.gz YCTQCRAUKIJOBM-LAUBAEHRSA-N 1 0 333.479 4.262 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192994 1045261451 /nfs/dbraw/zinc/26/14/51/1045261451.db2.gz YCTQCRAUKIJOBM-UWJYYQICSA-N 1 0 333.479 4.262 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266774 1045272039 /nfs/dbraw/zinc/27/20/39/1045272039.db2.gz LVLXRQBWSGCOQQ-QFBILLFUSA-N 1 0 326.465 4.219 20 30 EIEDRO Cc1cccc2c1ncc(C#N)c2N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000611370404 1045288916 /nfs/dbraw/zinc/28/89/16/1045288916.db2.gz NENDGIVATWDXGI-LMMKCTJWSA-N 1 0 348.494 4.257 20 30 EIEDRO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000611388054 1045293968 /nfs/dbraw/zinc/29/39/68/1045293968.db2.gz CBSLWQOSQPOOIM-HZPDHXFCSA-N 1 0 335.451 4.361 20 30 EIEDRO Cc1ccc([C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)N(C)C)cc1 ZINC000611392039 1045296277 /nfs/dbraw/zinc/29/62/77/1045296277.db2.gz FLCJNSVXSDMXEM-VXKWHMMOSA-N 1 0 333.479 4.137 20 30 EIEDRO COc1ccccc1OCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392146 1045297765 /nfs/dbraw/zinc/29/77/65/1045297765.db2.gz MMAPILQQJBLTNA-LJQANCHMSA-N 1 0 336.435 4.003 20 30 EIEDRO C[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)N(C)Cc1ccccc1 ZINC000611392680 1045299213 /nfs/dbraw/zinc/29/92/13/1045299213.db2.gz CUDVOSGQNRTLHY-JTSKRJEESA-N 1 0 333.479 4.046 20 30 EIEDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000611394398 1045299354 /nfs/dbraw/zinc/29/93/54/1045299354.db2.gz HLPOVZPKNSLVFE-LEWJYISDSA-N 1 0 345.446 4.023 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000611392622 1045299419 /nfs/dbraw/zinc/29/94/19/1045299419.db2.gz ZDNMRSLLJRRPSZ-UXHICEINSA-N 1 0 337.467 4.201 20 30 EIEDRO N#Cc1cc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)ccn1 ZINC000611397683 1045300480 /nfs/dbraw/zinc/30/04/80/1045300480.db2.gz ZXCINJUBCSDIMW-UHFFFAOYSA-N 1 0 331.341 4.141 20 30 EIEDRO C[C@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000611438341 1045307561 /nfs/dbraw/zinc/30/75/61/1045307561.db2.gz YGRLFCOZQWVJRU-PGRDOPGGSA-N 1 0 333.479 4.436 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 ZINC000611438195 1045308356 /nfs/dbraw/zinc/30/83/56/1045308356.db2.gz FDLHTGBFHIDHIJ-WBVHZDCISA-N 1 0 339.870 4.389 20 30 EIEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000611438463 1045308715 /nfs/dbraw/zinc/30/87/15/1045308715.db2.gz SSIZKTDLYLOIBB-HNNXBMFYSA-N 1 0 333.435 4.225 20 30 EIEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272317664 1045410831 /nfs/dbraw/zinc/41/08/31/1045410831.db2.gz VEIFOSYJQCTVIB-MRXNPFEDSA-N 1 0 347.462 4.117 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](CC(C)(C)CCC#N)C2)C1 ZINC000495796083 1045411140 /nfs/dbraw/zinc/41/11/40/1045411140.db2.gz SMMLLTLMNOYTKL-HXUWFJFHSA-N 1 0 349.519 4.039 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000915681712 1045447185 /nfs/dbraw/zinc/44/71/85/1045447185.db2.gz DIYDMMYBQBJVRR-CQSZACIVSA-N 1 0 341.842 4.027 20 30 EIEDRO CCC[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168498678 1045462804 /nfs/dbraw/zinc/46/28/04/1045462804.db2.gz SLCBYMIWSYOAIK-IBGZPJMESA-N 1 0 330.378 4.346 20 30 EIEDRO COC1(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CCCC1 ZINC000790967103 1045641087 /nfs/dbraw/zinc/64/10/87/1045641087.db2.gz BULUUMOBYCVOBN-UHFFFAOYSA-N 1 0 326.465 4.336 20 30 EIEDRO C=CCC[C@H]([NH2+]CCC1OCCO1)c1ccc(C(F)(F)F)cc1 ZINC000767818050 1045648163 /nfs/dbraw/zinc/64/81/63/1045648163.db2.gz MHTOWIVVHOGLFX-HNNXBMFYSA-N 1 0 329.362 4.065 20 30 EIEDRO CCOC(C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)OCC ZINC000767825613 1045648519 /nfs/dbraw/zinc/64/85/19/1045648519.db2.gz RDGWGPDSNCBZNQ-MRXNPFEDSA-N 1 0 338.451 4.275 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000768257619 1045769673 /nfs/dbraw/zinc/76/96/73/1045769673.db2.gz NTLIWONIJHPMHY-UHFFFAOYSA-N 1 0 337.442 4.340 20 30 EIEDRO CC(C)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000763234655 1045785645 /nfs/dbraw/zinc/78/56/45/1045785645.db2.gz RJTSHIQXSXKGBM-MOPGFXCFSA-N 1 0 328.843 4.232 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H](CCO)c2cccs2)CC1 ZINC000768404677 1045803213 /nfs/dbraw/zinc/80/32/13/1045803213.db2.gz XMUAHJNZIHRYSJ-FDYSRKEFSA-N 1 0 340.492 4.165 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000614179111 1045807073 /nfs/dbraw/zinc/80/70/73/1045807073.db2.gz COGKEUHKVPUBAE-OAHLLOKOSA-N 1 0 347.462 4.223 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000246485399 1045816670 /nfs/dbraw/zinc/81/66/70/1045816670.db2.gz ROEHAZHKFRGEIW-QIJUGHKUSA-N 1 0 333.479 4.142 20 30 EIEDRO C#CCC[NH+]1CCC(NC(=O)C2(C3CCCCC3)CCCCC2)CC1 ZINC000792194826 1045876643 /nfs/dbraw/zinc/87/66/43/1045876643.db2.gz MSBZJMDRONLADV-UHFFFAOYSA-N 1 0 344.543 4.121 20 30 EIEDRO O[C@H](C[N@H+](CC#Cc1ccccc1)Cc1ccccc1)c1ccsc1 ZINC000792236871 1045879883 /nfs/dbraw/zinc/87/98/83/1045879883.db2.gz FPBGDGSNFUVMKY-JOCHJYFZSA-N 1 0 347.483 4.335 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000248823507 1045886230 /nfs/dbraw/zinc/88/62/30/1045886230.db2.gz LPNQVYMJJYUTNQ-LXZKKBNFSA-N 1 0 326.419 4.053 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000496380716 1045922741 /nfs/dbraw/zinc/92/27/41/1045922741.db2.gz RJCFGFYVDUJXFY-ZACQAIPSSA-N 1 0 349.519 4.084 20 30 EIEDRO CCS[C@@H]1CCCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769404228 1045950463 /nfs/dbraw/zinc/95/04/63/1045950463.db2.gz POUJHQOGSGKBFZ-LJQANCHMSA-N 1 0 331.529 4.144 20 30 EIEDRO C#CCOc1ccc(C[N@@H+](C)[C@@H](C)c2sc(CC)nc2C)cc1 ZINC000769469936 1045986054 /nfs/dbraw/zinc/98/60/54/1045986054.db2.gz HZJUVQGZRMDWEP-HNNXBMFYSA-N 1 0 328.481 4.219 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC2(O)CCCCC2)CC1 ZINC001170359420 1046012434 /nfs/dbraw/zinc/01/24/34/1046012434.db2.gz WYEJSRNNMLZEIK-UHFFFAOYSA-N 1 0 326.484 4.065 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2c3ccccc3nc2C[NH3+])CC1 ZINC001170359604 1046013706 /nfs/dbraw/zinc/01/37/06/1046013706.db2.gz CLVJCEMDAFQOKM-UHFFFAOYSA-N 1 0 330.435 4.072 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC(c3ncccn3)CC2)CC1 ZINC001170388788 1046025621 /nfs/dbraw/zinc/02/56/21/1046025621.db2.gz FLSCTGVVWUVSFX-UHFFFAOYSA-N 1 0 346.478 4.060 20 30 EIEDRO CC(C)[N@H+](C1CCN(C)CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397510 1046030933 /nfs/dbraw/zinc/03/09/33/1046030933.db2.gz DLDUIFHSMCEODL-UHFFFAOYSA-N 1 0 339.527 4.195 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCc3ccccc3O2)CC1 ZINC001170376185 1046033899 /nfs/dbraw/zinc/03/38/99/1046033899.db2.gz KVHQLHRIPVNEHA-WQMHRJNTSA-N 1 0 346.474 4.374 20 30 EIEDRO C=CCc1cc(C[N@H+](C)Cc2ccc(Cl)s2)c(O)c(OC)c1 ZINC000916567708 1046095671 /nfs/dbraw/zinc/09/56/71/1046095671.db2.gz UDTBYLAYSOOWDO-UHFFFAOYSA-N 1 0 337.872 4.476 20 30 EIEDRO CCc1cccc(F)c1C[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC000792986997 1046120250 /nfs/dbraw/zinc/12/02/50/1046120250.db2.gz PQCPOGCFUJLRGR-KRWDZBQOSA-N 1 0 326.415 4.359 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(COc3ccccc3)cc2)c1 ZINC000237846847 1046122964 /nfs/dbraw/zinc/12/29/64/1046122964.db2.gz GYSMSAQEHJHISG-UHFFFAOYSA-N 1 0 328.415 4.427 20 30 EIEDRO C[C@H](c1ccccc1Cl)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763406247 1046133372 /nfs/dbraw/zinc/13/33/72/1046133372.db2.gz IAQJTYRQEPWZRH-JLTOFOAXSA-N 1 0 340.854 4.471 20 30 EIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763408055 1046133890 /nfs/dbraw/zinc/13/38/90/1046133890.db2.gz NZHRTZUMUTZCBI-FSSWDIPSSA-N 1 0 334.463 4.250 20 30 EIEDRO CC(C)([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000763403706 1046141383 /nfs/dbraw/zinc/14/13/83/1046141383.db2.gz PRAVOAMSUMOVLD-QGZVFWFLSA-N 1 0 348.368 4.135 20 30 EIEDRO Cc1cccc([C@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)c1C ZINC000763413848 1046144270 /nfs/dbraw/zinc/14/42/70/1046144270.db2.gz OTPZPKZGACCJEU-YADHBBJMSA-N 1 0 334.463 4.436 20 30 EIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000763413840 1046144712 /nfs/dbraw/zinc/14/47/12/1046144712.db2.gz OTPZPKZGACCJEU-FCHUYYIVSA-N 1 0 334.463 4.436 20 30 EIEDRO N#Cc1csc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000770294840 1046173219 /nfs/dbraw/zinc/17/32/19/1046173219.db2.gz QVLCTGHNLDIZIC-UYAOXDASSA-N 1 0 340.492 4.488 20 30 EIEDRO CSc1ccccc1C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000793231575 1046177769 /nfs/dbraw/zinc/17/77/69/1046177769.db2.gz DZNNGROIXMXEFD-HNNXBMFYSA-N 1 0 326.465 4.331 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](CCC)[C@H](O)c2ccccc2)cc1 ZINC000793240054 1046188082 /nfs/dbraw/zinc/18/80/82/1046188082.db2.gz RSYSPFHFQPCRKV-FGZHOGPDSA-N 1 0 337.463 4.081 20 30 EIEDRO C=CC[C@H]1N(C(=O)NCCCCCCC[NH+](C)C)CCCC1(C)C ZINC000770344278 1046190530 /nfs/dbraw/zinc/19/05/30/1046190530.db2.gz DOQJRFJGWKERCI-GOSISDBHSA-N 1 0 337.552 4.275 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000192161186 1046205720 /nfs/dbraw/zinc/20/57/20/1046205720.db2.gz UZOIYLHJENNZJZ-CQSZACIVSA-N 1 0 334.398 4.042 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000770508608 1046210146 /nfs/dbraw/zinc/21/01/46/1046210146.db2.gz BJEGIPSVVMSQLH-UHFFFAOYSA-N 1 0 347.506 4.435 20 30 EIEDRO Cc1cc([C@@H](NCc2c(C#N)cccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000459391747 1046216368 /nfs/dbraw/zinc/21/63/68/1046216368.db2.gz CYYLNXFCWJTLRD-IBGZPJMESA-N 1 0 339.370 4.155 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC000770713324 1046259395 /nfs/dbraw/zinc/25/93/95/1046259395.db2.gz WZKBOZYITABIGT-SFHVURJKSA-N 1 0 333.378 4.010 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000793556459 1046290467 /nfs/dbraw/zinc/29/04/67/1046290467.db2.gz GRHZJMVOJRIPHT-AWEZNQCLSA-N 1 0 343.920 4.358 20 30 EIEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1csc2ccccc21 ZINC000793583322 1046298496 /nfs/dbraw/zinc/29/84/96/1046298496.db2.gz AWVDESBDRAYBJR-CYBMUJFWSA-N 1 0 332.432 4.271 20 30 EIEDRO N#CCCN(Cc1cc(Br)cc2cccnc21)CC1CC1 ZINC000347394903 1046307573 /nfs/dbraw/zinc/30/75/73/1046307573.db2.gz YMSZUTWMYHYEGT-UHFFFAOYSA-N 1 0 344.256 4.123 20 30 EIEDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000282068247 1046315011 /nfs/dbraw/zinc/31/50/11/1046315011.db2.gz SSMJQWVIVVPUBE-AEFFLSMTSA-N 1 0 330.447 4.104 20 30 EIEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4ccc(F)cc4)CC3)n2c1 ZINC000497151452 1046356400 /nfs/dbraw/zinc/35/64/00/1046356400.db2.gz VVSOWLQIMCFPCH-QGZVFWFLSA-N 1 0 348.425 4.115 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000533753011 1046367014 /nfs/dbraw/zinc/36/70/14/1046367014.db2.gz RCIXXUNNTYOJPT-UHFFFAOYSA-N 1 0 342.389 4.316 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000794158818 1046385097 /nfs/dbraw/zinc/38/50/97/1046385097.db2.gz AXHUPGLANXZDBV-UHFFFAOYSA-N 1 0 330.815 4.189 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1sc(CCOC)nc1C)c1ccncc1 ZINC000771392096 1046395645 /nfs/dbraw/zinc/39/56/45/1046395645.db2.gz TWRDQSNCVYWKKF-CZUORRHYSA-N 1 0 331.485 4.003 20 30 EIEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000497240275 1046464654 /nfs/dbraw/zinc/46/46/54/1046464654.db2.gz OYHBJDJWXKKIJL-CQSZACIVSA-N 1 0 347.503 4.278 20 30 EIEDRO C=C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000126639933 1046509415 /nfs/dbraw/zinc/50/94/15/1046509415.db2.gz HERQPGYHRCQTAL-NRFANRHFSA-N 1 0 348.490 4.081 20 30 EIEDRO COc1ccc(C[N@H+](CCCOc2ccc(C#N)cc2)C2CC2)cc1 ZINC000916986144 1046523237 /nfs/dbraw/zinc/52/32/37/1046523237.db2.gz KPJXFVMSGYFYKB-UHFFFAOYSA-N 1 0 336.435 4.000 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCOc2ccc(C#N)cc2)cc1 ZINC000917032901 1046572507 /nfs/dbraw/zinc/57/25/07/1046572507.db2.gz WOSSOGHQJLCMBJ-OAQYLSRUSA-N 1 0 336.435 4.173 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459535371 1046760761 /nfs/dbraw/zinc/76/07/61/1046760761.db2.gz XPWUPRBSINMAJM-QGZVFWFLSA-N 1 0 332.447 4.183 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000154320699 1046813155 /nfs/dbraw/zinc/81/31/55/1046813155.db2.gz OOXSMCYNSVHMQF-SPEDKVCISA-N 1 0 333.479 4.119 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000536832489 1046824917 /nfs/dbraw/zinc/82/49/17/1046824917.db2.gz JITHIZDNDIMGHR-UFYCRDLUSA-N 1 0 326.488 4.289 20 30 EIEDRO N#Cc1cc(Cl)cc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000929970822 1046833299 /nfs/dbraw/zinc/83/32/99/1046833299.db2.gz HQZCYUFHIDYICX-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO C=C(Cl)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000786443628 1046837624 /nfs/dbraw/zinc/83/76/24/1046837624.db2.gz WKPSUTYJSYYOSJ-UHFFFAOYSA-N 1 0 344.680 4.183 20 30 EIEDRO C#CCCCC[NH2+]C1C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170475066 1046848057 /nfs/dbraw/zinc/84/80/57/1046848057.db2.gz MKIHWSRKMFDZQR-ROUUACIJSA-N 1 0 336.520 4.336 20 30 EIEDRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC(C)(C)CC#N ZINC000459728254 1046865834 /nfs/dbraw/zinc/86/58/34/1046865834.db2.gz IKQBIUJIYVMZCX-LLVKDONJSA-N 1 0 327.241 4.049 20 30 EIEDRO CC[N@H+](Cc1cc(OC)c(OC)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497613454 1046891740 /nfs/dbraw/zinc/89/17/40/1046891740.db2.gz WZKUSBDUBMUWJY-INIZCTEOSA-N 1 0 338.451 4.467 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787035644 1046895940 /nfs/dbraw/zinc/89/59/40/1046895940.db2.gz NAVOGFBOJCXEBZ-RBUKOAKNSA-N 1 0 344.817 4.051 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(O)ccc2ccncc21 ZINC000917457533 1046897593 /nfs/dbraw/zinc/89/75/93/1046897593.db2.gz JDWCJAGEHIHYJN-UHFFFAOYSA-N 1 0 331.419 4.224 20 30 EIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000537045672 1046912193 /nfs/dbraw/zinc/91/21/93/1046912193.db2.gz WTMNCHALHMPQEZ-HNNXBMFYSA-N 1 0 326.415 4.017 20 30 EIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000787306429 1046991428 /nfs/dbraw/zinc/99/14/28/1046991428.db2.gz NEZWNRALTQNFAS-NVXWUHKLSA-N 1 0 338.904 4.396 20 30 EIEDRO C#CCCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000787418619 1047004225 /nfs/dbraw/zinc/00/42/25/1047004225.db2.gz YQTNVKGTXZNYOX-INIZCTEOSA-N 1 0 325.374 4.252 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)Cc1ccc2c(c1)ncn2C ZINC000537206972 1047026957 /nfs/dbraw/zinc/02/69/57/1047026957.db2.gz KFFJRJUJUABMJC-UHFFFAOYSA-N 1 0 331.872 4.476 20 30 EIEDRO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170491014 1047037238 /nfs/dbraw/zinc/03/72/38/1047037238.db2.gz HYVLUNLKDIZQMM-FJIDUMEYSA-N 1 0 349.519 4.179 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1cccc(C#N)c1 ZINC000537292328 1047075907 /nfs/dbraw/zinc/07/59/07/1047075907.db2.gz HOAVNIOOUOXXJW-KUHUBIRLSA-N 1 0 327.859 4.165 20 30 EIEDRO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(C#N)o1 ZINC000537318916 1047105762 /nfs/dbraw/zinc/10/57/62/1047105762.db2.gz WHYCEQIIVHGRBC-ZDUSSCGKSA-N 1 0 333.229 4.025 20 30 EIEDRO CC[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc(C#N)o1 ZINC000537318905 1047105810 /nfs/dbraw/zinc/10/58/10/1047105810.db2.gz WHYCEQIIVHGRBC-CYBMUJFWSA-N 1 0 333.229 4.025 20 30 EIEDRO C=CCN(C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)C(C)C ZINC000747305836 1047119978 /nfs/dbraw/zinc/11/99/78/1047119978.db2.gz GVSSRQVBVPKDJJ-UHFFFAOYSA-N 1 0 343.515 4.169 20 30 EIEDRO C#CCC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000788210210 1047130876 /nfs/dbraw/zinc/13/08/76/1047130876.db2.gz WFNZPGSZGKJTCR-FQEVSTJZSA-N 1 0 344.543 4.075 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)cc1C#N ZINC000746734228 1047134913 /nfs/dbraw/zinc/13/49/13/1047134913.db2.gz OBFXAURLVORCBS-UHFFFAOYSA-N 1 0 344.414 4.229 20 30 EIEDRO C[NH+](C)[C@@H]1CCCC(N=Nc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000788409100 1047186775 /nfs/dbraw/zinc/18/67/75/1047186775.db2.gz SDQYTGCZLXTWNB-LLVKDONJSA-N 1 0 334.773 4.026 20 30 EIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1Cl ZINC000537406823 1047199273 /nfs/dbraw/zinc/19/92/73/1047199273.db2.gz JFGSELKBGPRLEF-STQMWFEESA-N 1 0 332.806 4.469 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000806178206 1047201132 /nfs/dbraw/zinc/20/11/32/1047201132.db2.gz POADKYFWSHRAQE-HZPDHXFCSA-N 1 0 337.508 4.084 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3CCCS3)c2)c1 ZINC000152554609 1047313157 /nfs/dbraw/zinc/31/31/57/1047313157.db2.gz UKXBQRSABKOZOE-HXUWFJFHSA-N 1 0 338.476 4.122 20 30 EIEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000806619101 1047330870 /nfs/dbraw/zinc/33/08/70/1047330870.db2.gz XSKVGDNKSPBUIB-ICSRJNTNSA-N 1 0 329.447 4.158 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000918135687 1047349034 /nfs/dbraw/zinc/34/90/34/1047349034.db2.gz IJUAKZVNENIAKQ-KRWDZBQOSA-N 1 0 325.541 4.155 20 30 EIEDRO N#Cc1ccc(CNc2ccc(SC3CC[NH2+]CC3)cc2)cc1F ZINC001170096078 1047355564 /nfs/dbraw/zinc/35/55/64/1047355564.db2.gz KTISJTOIEBIOSV-UHFFFAOYSA-N 1 0 341.455 4.154 20 30 EIEDRO CC(=[NH+]NCCc1ccncc1)c1ccc(N2CCCCCC2)cc1 ZINC000789093730 1047372102 /nfs/dbraw/zinc/37/21/02/1047372102.db2.gz KYOHRAAIRMYNRY-UHFFFAOYSA-N 1 0 336.483 4.018 20 30 EIEDRO CCCCCCCCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806943758 1047392033 /nfs/dbraw/zinc/39/20/33/1047392033.db2.gz KICFCDQPVIDJJB-DFNIBXOVSA-N 1 0 337.552 4.394 20 30 EIEDRO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)CC1 ZINC000897696315 1047449269 /nfs/dbraw/zinc/44/92/69/1047449269.db2.gz KBFFYNCKVBQRKO-KRWDZBQOSA-N 1 0 346.540 4.083 20 30 EIEDRO C=CCC[C@H]([NH2+]CCc1ccc(-c2nc(CC)no2)cc1)C1CC1 ZINC000536873196 1047454281 /nfs/dbraw/zinc/45/42/81/1047454281.db2.gz XJROHQMOEWONKZ-SFHVURJKSA-N 1 0 325.456 4.176 20 30 EIEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C#N ZINC000609280809 1047479213 /nfs/dbraw/zinc/47/92/13/1047479213.db2.gz PVQRMJYCYGMIJN-IBGZPJMESA-N 1 0 336.435 4.173 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)c2ccc(C(=O)OC)cc2)cc1 ZINC000556194335 1047554853 /nfs/dbraw/zinc/55/48/53/1047554853.db2.gz YJCKWFZSRIYFAA-HXUWFJFHSA-N 1 0 339.435 4.279 20 30 EIEDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000556204138 1047564288 /nfs/dbraw/zinc/56/42/88/1047564288.db2.gz CHBYTTINDDZIFI-ICSRJNTNSA-N 1 0 341.499 4.192 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000154812587 1047650052 /nfs/dbraw/zinc/65/00/52/1047650052.db2.gz AMCIJBLGAOKMEG-HNNXBMFYSA-N 1 0 345.874 4.130 20 30 EIEDRO COc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)cc(Cl)c1OC ZINC000130562646 1047735205 /nfs/dbraw/zinc/73/52/05/1047735205.db2.gz RQUVFFNINJBJAO-QGZVFWFLSA-N 1 0 344.842 4.492 20 30 EIEDRO C=CCCC1(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000476455462 1047817823 /nfs/dbraw/zinc/81/78/23/1047817823.db2.gz DRGHUJMSBUYZHP-QUCCMNQESA-N 1 0 340.511 4.150 20 30 EIEDRO N#Cc1cccc2c1CC[C@H]2Nc1cc(C[NH+]2CCCCC2)ccn1 ZINC001171060599 1047892507 /nfs/dbraw/zinc/89/25/07/1047892507.db2.gz HDLAVUVBFMGNQB-HXUWFJFHSA-N 1 0 332.451 4.039 20 30 EIEDRO C[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H]2CCc3c2cccc3C#N)nc1 ZINC001171064819 1047923732 /nfs/dbraw/zinc/92/37/32/1047923732.db2.gz OAKRQPMXLRMEGB-WOJBJXKFSA-N 1 0 332.451 4.209 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CC(c3cccc(Cl)c3)C2)cc1 ZINC000824987947 1048017965 /nfs/dbraw/zinc/01/79/65/1048017965.db2.gz FBTYWCCAQDNMHF-CQSZACIVSA-N 1 0 326.827 4.230 20 30 EIEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985802 1048033745 /nfs/dbraw/zinc/03/37/45/1048033745.db2.gz WFCBSPAQNYFLFT-KRWDZBQOSA-N 1 0 349.409 4.222 20 30 EIEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC000556865266 1048071629 /nfs/dbraw/zinc/07/16/29/1048071629.db2.gz NTLRAYFADJQCMO-MGPUTAFESA-N 1 0 335.451 4.033 20 30 EIEDRO C=CCC[C@@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868740 1048085328 /nfs/dbraw/zinc/08/53/28/1048085328.db2.gz BUKMYIMUGZZKQG-LEWJYISDSA-N 1 0 338.495 4.441 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000814659455 1048105048 /nfs/dbraw/zinc/10/50/48/1048105048.db2.gz NRMHYIAGQNXPMM-RBUKOAKNSA-N 1 0 330.378 4.023 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1F ZINC000808788110 1048108512 /nfs/dbraw/zinc/10/85/12/1048108512.db2.gz HHHDWFLMCMYXPK-FCHUYYIVSA-N 1 0 346.405 4.262 20 30 EIEDRO CC(N=Nc1ncc(Cl)cc1Cl)c1cccc(C[NH+](C)C)c1 ZINC000814740676 1048155556 /nfs/dbraw/zinc/15/55/56/1048155556.db2.gz RHWBKEQCTVALPK-UHFFFAOYSA-N 1 0 337.254 4.286 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000556911696 1048187039 /nfs/dbraw/zinc/18/70/39/1048187039.db2.gz HIAPGMFNFPSABK-OAHLLOKOSA-N 1 0 326.396 4.319 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000556911695 1048187414 /nfs/dbraw/zinc/18/74/14/1048187414.db2.gz HIAPGMFNFPSABK-HNNXBMFYSA-N 1 0 326.396 4.319 20 30 EIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCSC1CCCCC1 ZINC001170769182 1048217174 /nfs/dbraw/zinc/21/71/74/1048217174.db2.gz NATVDPALBTYSQN-UHFFFAOYSA-N 1 0 332.513 4.073 20 30 EIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 ZINC001170770103 1048221478 /nfs/dbraw/zinc/22/14/78/1048221478.db2.gz YYPCULKDUNQYQG-UHFFFAOYSA-N 1 0 330.431 4.360 20 30 EIEDRO CC[C@H](OCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000844312084 1048269285 /nfs/dbraw/zinc/26/92/85/1048269285.db2.gz ISEWTEBMAWLCGP-UWJYYQICSA-N 1 0 338.451 4.407 20 30 EIEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)c3cccc4ccccc43)CC2)c1 ZINC000815082633 1048323745 /nfs/dbraw/zinc/32/37/45/1048323745.db2.gz AMSIJRHGLIRCKS-NRFANRHFSA-N 1 0 328.415 4.024 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000815153864 1048351980 /nfs/dbraw/zinc/35/19/80/1048351980.db2.gz ZYGMMGFSUIRCGZ-UHFFFAOYSA-N 1 0 349.352 4.119 20 30 EIEDRO CC(C)[N@@H+](Cc1cncc(C#N)c1)C[C@H](O)c1ccc2ccccc2c1 ZINC001144083223 1048414174 /nfs/dbraw/zinc/41/41/74/1048414174.db2.gz CGKWDVIWMICKGW-QFIPXVFZSA-N 1 0 345.446 4.050 20 30 EIEDRO C#Cc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000809609375 1048415780 /nfs/dbraw/zinc/41/57/80/1048415780.db2.gz IKEPIAUBWFZTTN-UHFFFAOYSA-N 1 0 339.866 4.159 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](Cc2ccc(C)cc2)c2ccccn2)cc1 ZINC000809621018 1048432861 /nfs/dbraw/zinc/43/28/61/1048432861.db2.gz YIWFIXGBEDOIRC-QHCPKHFHSA-N 1 0 326.443 4.445 20 30 EIEDRO C#Cc1ccc(C[NH2+]C2(c3cccc(Br)c3)CC2)cc1 ZINC000809622981 1048438870 /nfs/dbraw/zinc/43/88/70/1048438870.db2.gz NRSHOMFUFFTPOY-UHFFFAOYSA-N 1 0 326.237 4.209 20 30 EIEDRO CCC[N@H+](Cc1cccc(Br)c1)Cc1ccc(C#N)cn1 ZINC001144163333 1048477256 /nfs/dbraw/zinc/47/72/56/1048477256.db2.gz BLNSXULCCMBAQX-UHFFFAOYSA-N 1 0 344.256 4.128 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)CCC(C)=C(C)C1)C(C)C ZINC001144203890 1048507634 /nfs/dbraw/zinc/50/76/34/1048507634.db2.gz GEZDHUBJUCVECE-CTNGQTDRSA-N 1 0 332.532 4.328 20 30 EIEDRO C=CC[C@H]([NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1)c1ccncc1 ZINC000815580437 1048520014 /nfs/dbraw/zinc/52/00/14/1048520014.db2.gz KFSQYOJYQXPALL-NEWSRXKRSA-N 1 0 330.472 4.191 20 30 EIEDRO C#CC[C@H]([NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1)c1ccccc1 ZINC000815598956 1048533348 /nfs/dbraw/zinc/53/33/48/1048533348.db2.gz HFPSXPSFWFTOGS-IHPCNDPISA-N 1 0 327.468 4.243 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)cc1 ZINC000809789762 1048534896 /nfs/dbraw/zinc/53/48/96/1048534896.db2.gz DIRPRBLQBLGUFO-INIZCTEOSA-N 1 0 336.435 4.151 20 30 EIEDRO C=CCC(F)(F)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000844888329 1048538596 /nfs/dbraw/zinc/53/85/96/1048538596.db2.gz DCJXRKRUUHAZKJ-UHFFFAOYSA-N 1 0 340.439 4.024 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000815642852 1048568053 /nfs/dbraw/zinc/56/80/53/1048568053.db2.gz NIBSNHRXBGCVHV-KGLIPLIRSA-N 1 0 332.831 4.330 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc4nc(C#N)ccc4c3)c2c1 ZINC001171167793 1048614696 /nfs/dbraw/zinc/61/46/96/1048614696.db2.gz MRAKWKNSHGHSOQ-OAHLLOKOSA-N 1 0 340.430 4.249 20 30 EIEDRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]Cc1ccc(C#N)cc1 ZINC000810131365 1048641230 /nfs/dbraw/zinc/64/12/30/1048641230.db2.gz XHEKCZAGPHKBCP-GXDHUFHOSA-N 1 0 328.362 4.353 20 30 EIEDRO C=CCC(F)(F)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000815915996 1048642363 /nfs/dbraw/zinc/64/23/63/1048642363.db2.gz HAESGIHVTPUOLO-UHFFFAOYSA-N 1 0 336.426 4.111 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC001171174938 1048643459 /nfs/dbraw/zinc/64/34/59/1048643459.db2.gz GJFKJEMODMGLIQ-AWEZNQCLSA-N 1 0 332.369 4.340 20 30 EIEDRO Clc1ccc2c(C[NH+]3CCC(C#Cc4ccccc4)CC3)c[nH]c2n1 ZINC001144416917 1048650688 /nfs/dbraw/zinc/65/06/88/1048650688.db2.gz XOISODVPNMXWBH-UHFFFAOYSA-N 1 0 349.865 4.480 20 30 EIEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1[C@H](CC)CCCCCC ZINC001170598766 1048651664 /nfs/dbraw/zinc/65/16/64/1048651664.db2.gz JKGLEDMBMMYTIE-IEBWSBKVSA-N 1 0 333.520 4.271 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC001171179595 1048652289 /nfs/dbraw/zinc/65/22/89/1048652289.db2.gz UTBGIISYDYOMHT-VGOFRKELSA-N 1 0 327.431 4.263 20 30 EIEDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000810151609 1048657298 /nfs/dbraw/zinc/65/72/98/1048657298.db2.gz DBVNDWRYXSEGRF-ACJLOTCBSA-N 1 0 348.368 4.179 20 30 EIEDRO c1cc2c(ccnc2N=NC2CC[NH+](C3CCCCC3)CC2)s1 ZINC000920375223 1048659527 /nfs/dbraw/zinc/65/95/27/1048659527.db2.gz QKKCVYFPDXDFNT-UHFFFAOYSA-N 1 0 328.485 4.493 20 30 EIEDRO CCCOc1ncc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1C ZINC001171182057 1048662657 /nfs/dbraw/zinc/66/26/57/1048662657.db2.gz HPCBXMACEGVSNH-UHFFFAOYSA-N 1 0 335.407 4.075 20 30 EIEDRO [NH2+]=C(Nc1ccc(-c2ccno2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185177 1048672456 /nfs/dbraw/zinc/67/24/56/1048672456.db2.gz TVIPBDUCURMZEL-UHFFFAOYSA-N 1 0 329.359 4.237 20 30 EIEDRO COc1cccc(C(F)(F)F)c1C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171184402 1048676562 /nfs/dbraw/zinc/67/65/62/1048676562.db2.gz MPADOBAOLOWTQA-CYBMUJFWSA-N 1 0 348.368 4.306 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(Br)cc1F)CC2 ZINC000810217930 1048686295 /nfs/dbraw/zinc/68/62/95/1048686295.db2.gz MYMHXDDHVBQAIQ-KRWDZBQOSA-N 1 0 345.215 4.237 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000810216949 1048686803 /nfs/dbraw/zinc/68/68/03/1048686803.db2.gz SYZOTSUDQQGGMZ-INIZCTEOSA-N 1 0 342.405 4.102 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC000810220974 1048690687 /nfs/dbraw/zinc/69/06/87/1048690687.db2.gz IJLXQQCQWGSDIJ-JKSUJKDBSA-N 1 0 345.487 4.292 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H](O)c1c(F)cccc1Cl ZINC000810227099 1048694762 /nfs/dbraw/zinc/69/47/62/1048694762.db2.gz RDKPCALIBTVERJ-JVMOKEISSA-N 1 0 344.817 4.050 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171192750 1048695271 /nfs/dbraw/zinc/69/52/71/1048695271.db2.gz PPXOXKIACQKBHT-CQSZACIVSA-N 1 0 343.268 4.350 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)ccc1OC(C)C ZINC000810208590 1048706206 /nfs/dbraw/zinc/70/62/06/1048706206.db2.gz CPJCFHFPZUNOEV-LJQANCHMSA-N 1 0 336.435 4.131 20 30 EIEDRO COc1ccccc1CC1([NH2+][C@@H](C)Cc2cccc(C#N)c2)CCC1 ZINC001171197667 1048716257 /nfs/dbraw/zinc/71/62/57/1048716257.db2.gz BDBVYQKAMBPSLY-KRWDZBQOSA-N 1 0 334.463 4.253 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1cccnc1Cl)C1CC1 ZINC001171202203 1048760331 /nfs/dbraw/zinc/76/03/31/1048760331.db2.gz XXFQILWKLOCXKF-FZKQIMNGSA-N 1 0 325.843 4.279 20 30 EIEDRO Cc1cc2cc(C[N@H+](C)C[C@H](O)c3cccc(C#N)c3)oc2cc1C ZINC000846005581 1048784095 /nfs/dbraw/zinc/78/40/95/1048784095.db2.gz ADERVUGONSOXRH-FQEVSTJZSA-N 1 0 334.419 4.087 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000846103014 1048821577 /nfs/dbraw/zinc/82/15/77/1048821577.db2.gz SYTDHGJAWKGWIN-OAHLLOKOSA-N 1 0 340.298 4.100 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)ccc1OC ZINC000846106472 1048822491 /nfs/dbraw/zinc/82/24/91/1048822491.db2.gz BQDKYLIEPLRORW-GOSISDBHSA-N 1 0 337.410 4.271 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001171216753 1048839304 /nfs/dbraw/zinc/83/93/04/1048839304.db2.gz KNAIPQZYXPGWRO-HAFPXEGZSA-N 1 0 338.495 4.016 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000816619879 1048845187 /nfs/dbraw/zinc/84/51/87/1048845187.db2.gz ZCKNOPROMSTPEK-OAQYLSRUSA-N 1 0 333.479 4.416 20 30 EIEDRO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc4scnc4c3)C2)c1 ZINC001144743356 1048848620 /nfs/dbraw/zinc/84/86/20/1048848620.db2.gz KDPCFZJCODDSSB-GOSISDBHSA-N 1 0 349.459 4.211 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1c(F)cccc1Oc1cc(C)cc(C)c1 ZINC000846455595 1048864848 /nfs/dbraw/zinc/86/48/48/1048864848.db2.gz UCTRBJWDTSXXOQ-UHFFFAOYSA-N 1 0 342.414 4.291 20 30 EIEDRO CCCCCCCCCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000846700902 1048887371 /nfs/dbraw/zinc/88/73/71/1048887371.db2.gz ZSKGISPNDIFEKU-GUDVDZBRSA-N 1 0 338.536 4.015 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000772960742 1048996284 /nfs/dbraw/zinc/99/62/84/1048996284.db2.gz VQCHAFIPQBWXIL-WAOWUJCRSA-N 1 0 349.478 4.075 20 30 EIEDRO Cc1cc(Cl)nc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171273885 1049006541 /nfs/dbraw/zinc/00/65/41/1049006541.db2.gz FGKPJRFUSQLJIL-UHFFFAOYSA-N 1 0 340.858 4.014 20 30 EIEDRO N#CCN1CCC([NH2+]Cc2ccc(-c3ccc(Cl)cc3)s2)CC1 ZINC000609334717 1049011011 /nfs/dbraw/zinc/01/10/11/1049011011.db2.gz CMXKUUPNMPHSMP-UHFFFAOYSA-N 1 0 345.899 4.146 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C2(OC)CCCCC2)c1 ZINC000817580940 1049012008 /nfs/dbraw/zinc/01/20/08/1049012008.db2.gz LUCRQHSDKFWNOR-FUHWJXTLSA-N 1 0 330.472 4.195 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000811485332 1049079452 /nfs/dbraw/zinc/07/94/52/1049079452.db2.gz FHLIMCWFOWFKKO-SFHVURJKSA-N 1 0 328.337 4.431 20 30 EIEDRO C[C@H](CNc1ccc(C#N)c(Cl)c1)[N@@H+]1CCc2ccccc2C1 ZINC000609495623 1049088096 /nfs/dbraw/zinc/08/80/96/1049088096.db2.gz DHKQBDJAUMXCDP-CQSZACIVSA-N 1 0 325.843 4.070 20 30 EIEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170887936 1049093758 /nfs/dbraw/zinc/09/37/58/1049093758.db2.gz ZYTBZSKUTMONOL-GQAVTEOGSA-N 1 0 345.284 4.073 20 30 EIEDRO C#C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000811517579 1049102273 /nfs/dbraw/zinc/10/22/73/1049102273.db2.gz WPWVHRBYPPTJLZ-OAQYLSRUSA-N 1 0 349.865 4.145 20 30 EIEDRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818230149 1049117696 /nfs/dbraw/zinc/11/76/96/1049117696.db2.gz NCZKMWVUDPNACK-LSDHHAIUSA-N 1 0 342.874 4.431 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000772982687 1049169205 /nfs/dbraw/zinc/16/92/05/1049169205.db2.gz FEWVZCAGMRDCOH-OALUTQOASA-N 1 0 340.854 4.278 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)ccc1OC ZINC000772985663 1049220588 /nfs/dbraw/zinc/22/05/88/1049220588.db2.gz LUFRIZOSYNNFJM-MJEZEWASSA-N 1 0 330.472 4.290 20 30 EIEDRO C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000818994808 1049229495 /nfs/dbraw/zinc/22/94/95/1049229495.db2.gz KASFVHLTABKUPG-XIKOKIGWSA-N 1 0 349.261 4.119 20 30 EIEDRO CC(C)(C[NH2+]Cc1cccc(OCCCC#N)c1)Oc1ccccc1 ZINC000609636984 1049239730 /nfs/dbraw/zinc/23/97/30/1049239730.db2.gz ALTPGDDGDAZVOS-UHFFFAOYSA-N 1 0 338.451 4.316 20 30 EIEDRO CC1(c2ccccc2)CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819179220 1049275923 /nfs/dbraw/zinc/27/59/23/1049275923.db2.gz ZVSNRGODPPFPQA-ATKRNPRHSA-N 1 0 334.463 4.082 20 30 EIEDRO C#CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819190183 1049276673 /nfs/dbraw/zinc/27/66/73/1049276673.db2.gz HWTWCINWCDUWSH-QZTJIDSGSA-N 1 0 333.353 4.093 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000819282070 1049298404 /nfs/dbraw/zinc/29/84/04/1049298404.db2.gz SUIBXZWVIJLHLI-QGTPRVQTSA-N 1 0 347.245 4.044 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001136222899 1049313560 /nfs/dbraw/zinc/31/35/60/1049313560.db2.gz ZOAFXBSTKODUKW-LAUBAEHRSA-N 1 0 328.500 4.137 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001136222898 1049314354 /nfs/dbraw/zinc/31/43/54/1049314354.db2.gz ZOAFXBSTKODUKW-DYESRHJHSA-N 1 0 328.500 4.137 20 30 EIEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)c1ccsc1 ZINC000609961262 1049421523 /nfs/dbraw/zinc/42/15/23/1049421523.db2.gz FXVXUGZOAGFYKN-HNNXBMFYSA-N 1 0 339.386 4.353 20 30 EIEDRO CCc1ccc(C[NH+]2CCN([C@H](C)c3ccc(C#N)cc3)CC2)s1 ZINC000610003372 1049471276 /nfs/dbraw/zinc/47/12/76/1049471276.db2.gz XPVJJJCEBQJZRE-MRXNPFEDSA-N 1 0 339.508 4.061 20 30 EIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000610133948 1049555176 /nfs/dbraw/zinc/55/51/76/1049555176.db2.gz XWKKSXRLQFMHFM-FQEVSTJZSA-N 1 0 341.499 4.224 20 30 EIEDRO CCc1ccc([C@@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)cc1 ZINC001170684898 1049560525 /nfs/dbraw/zinc/56/05/25/1049560525.db2.gz YSWHDVKVKUGFGK-OAQYLSRUSA-N 1 0 334.463 4.379 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(SC)c(F)c2)cc1C#N ZINC000773072611 1049562958 /nfs/dbraw/zinc/56/29/58/1049562958.db2.gz ARAWNLCLVJSSQR-LBPRGKRZSA-N 1 0 330.428 4.279 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC([C@@H](O)c3ccc(OCC)cc3)CC2)cc1 ZINC000812776854 1049573610 /nfs/dbraw/zinc/57/36/10/1049573610.db2.gz QNNLNFGQSLQNHF-QHCPKHFHSA-N 1 0 349.474 4.012 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2cnc(C(C)(C)C)s2)c1 ZINC000821017660 1049587593 /nfs/dbraw/zinc/58/75/93/1049587593.db2.gz LBDAGSUQDOUSGD-MDZDMXLPSA-N 1 0 328.481 4.398 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000773116190 1049587556 /nfs/dbraw/zinc/58/75/56/1049587556.db2.gz QJIHSNWFTFSRKF-LAUBAEHRSA-N 1 0 334.463 4.375 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc(OC(F)F)cc2)c1 ZINC000821017332 1049588309 /nfs/dbraw/zinc/58/83/09/1049588309.db2.gz FUHAQDODUKURJQ-DHZHZOJOSA-N 1 0 331.362 4.246 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2cnc(-c3ccco3)s2)c1 ZINC000821022064 1049588932 /nfs/dbraw/zinc/58/89/32/1049588932.db2.gz NPQWVXSWTILFJM-CMDGGOBGSA-N 1 0 338.432 4.361 20 30 EIEDRO C#CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000773114255 1049590323 /nfs/dbraw/zinc/59/03/23/1049590323.db2.gz HMQHZMPDCMTBKL-JOCHJYFZSA-N 1 0 334.463 4.018 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812795114 1049594265 /nfs/dbraw/zinc/59/42/65/1049594265.db2.gz LVXKGLMJHAYERY-KSSFIOAISA-N 1 0 326.371 4.019 20 30 EIEDRO C#C[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812795115 1049595471 /nfs/dbraw/zinc/59/54/71/1049595471.db2.gz LVXKGLMJHAYERY-RDTXWAMCSA-N 1 0 326.371 4.019 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000237583023 1049635239 /nfs/dbraw/zinc/63/52/39/1049635239.db2.gz OZWKWOQBFNHQNY-ZIAGYGMSSA-N 1 0 346.377 4.430 20 30 EIEDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000237593926 1049637990 /nfs/dbraw/zinc/63/79/90/1049637990.db2.gz SSXMPCWIAVUENP-OAHLLOKOSA-N 1 0 333.435 4.100 20 30 EIEDRO CC(C)([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(Cl)c1 ZINC000179601161 1049683162 /nfs/dbraw/zinc/68/31/62/1049683162.db2.gz VGGLVNAYNHFIOW-UHFFFAOYSA-N 1 0 347.871 4.127 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171439578 1049690975 /nfs/dbraw/zinc/69/09/75/1049690975.db2.gz BPQQMFXVBQHWCW-FQEVSTJZSA-N 1 0 334.438 4.434 20 30 EIEDRO N#CCc1cccc(N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)c1 ZINC000716670534 1049700548 /nfs/dbraw/zinc/70/05/48/1049700548.db2.gz NMXLBVPSKJMWKP-BVSLBCMMSA-N 1 0 331.463 4.218 20 30 EIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCOc2ccc(C#N)cc2)cc1 ZINC001171484810 1049715978 /nfs/dbraw/zinc/71/59/78/1049715978.db2.gz RWPUGAKUADFFAZ-QFIPXVFZSA-N 1 0 347.462 4.372 20 30 EIEDRO Cc1ccc(C[NH+]2CCCCC2)cc1NCCOc1ccc(C#N)cc1 ZINC001171484269 1049716149 /nfs/dbraw/zinc/71/61/49/1049716149.db2.gz HNWLQBDRVSQCQO-UHFFFAOYSA-N 1 0 349.478 4.344 20 30 EIEDRO C=CCC(C)(C)C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001133672499 1049726840 /nfs/dbraw/zinc/72/68/40/1049726840.db2.gz CBPSNRHGQLFEDY-UHFFFAOYSA-N 1 0 328.378 4.308 20 30 EIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171518256 1049745398 /nfs/dbraw/zinc/74/53/98/1049745398.db2.gz USDXPIJNRQUFRU-SCLBCKFNSA-N 1 0 342.364 4.110 20 30 EIEDRO N#CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000237764909 1049749267 /nfs/dbraw/zinc/74/92/67/1049749267.db2.gz UKMRUWMZXQTJCS-UHFFFAOYSA-N 1 0 329.831 4.097 20 30 EIEDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1O ZINC000822525571 1049767560 /nfs/dbraw/zinc/76/75/60/1049767560.db2.gz IPDDBUYTDJQVPH-GFCCVEGCSA-N 1 0 330.815 4.119 20 30 EIEDRO C[C@H]1C[C@@H](N(CCC#N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001171746604 1049789911 /nfs/dbraw/zinc/78/99/11/1049789911.db2.gz PSGRFUGDRKYUPI-SIKLNZKXSA-N 1 0 333.479 4.065 20 30 EIEDRO CC(C)(C#N)CCC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001171734311 1049799142 /nfs/dbraw/zinc/79/91/42/1049799142.db2.gz FQBVCDVYNRXEBJ-UHFFFAOYSA-N 1 0 340.298 4.445 20 30 EIEDRO C#Cc1cccc(N(CC)C(=O)[C@H]2CC[C@@H](Nc3ccccn3)CC2)c1 ZINC001136643694 1049806901 /nfs/dbraw/zinc/80/69/01/1049806901.db2.gz SWXYPRHZRJFSCN-KDURUIRLSA-N 1 0 347.462 4.087 20 30 EIEDRO Cc1cc(C(C)(C)C)cc(C)c1Cc1noc([C@H](N)CCCC#N)n1 ZINC000822901510 1049806935 /nfs/dbraw/zinc/80/69/35/1049806935.db2.gz YDJYIDNIUBSBLP-QGZVFWFLSA-N 1 0 340.471 4.268 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2sccc2s1)C(C)C ZINC001136650240 1049811394 /nfs/dbraw/zinc/81/13/94/1049811394.db2.gz UNYPZZHFSSWZRT-CQSZACIVSA-N 1 0 348.537 4.391 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccccc1C1(C)CC1)C(C)C ZINC001136649892 1049811602 /nfs/dbraw/zinc/81/16/02/1049811602.db2.gz IUIAMZDUYBDTFR-FQEVSTJZSA-N 1 0 340.511 4.167 20 30 EIEDRO C=C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001171835620 1049811855 /nfs/dbraw/zinc/81/18/55/1049811855.db2.gz LESLXLYCKFSIOH-VXKWHMMOSA-N 1 0 348.490 4.127 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(CCC(=O)OC(C)(C)C)CC1 ZINC001171861369 1049814617 /nfs/dbraw/zinc/81/46/17/1049814617.db2.gz AFQSHAYWUSECFX-MRXNPFEDSA-N 1 0 342.483 4.453 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(SCC)c2)cc1 ZINC000813791066 1049817243 /nfs/dbraw/zinc/81/72/43/1049817243.db2.gz QETNRSMHBQBULT-UHFFFAOYSA-N 1 0 325.477 4.491 20 30 EIEDRO CCSc1cccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000813791010 1049817506 /nfs/dbraw/zinc/81/75/06/1049817506.db2.gz NWUZJJCIKPHZQT-OAHLLOKOSA-N 1 0 326.465 4.379 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC001171911411 1049818135 /nfs/dbraw/zinc/81/81/35/1049818135.db2.gz MADYLOJYXRLLGK-UHFFFAOYSA-N 1 0 329.241 4.346 20 30 EIEDRO CC(C)(C)OC(=O)NCCCCCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC001171911394 1049818498 /nfs/dbraw/zinc/81/84/98/1049818498.db2.gz LKHJUWIBFSSREU-QGZVFWFLSA-N 1 0 337.508 4.087 20 30 EIEDRO CCC#C[C@H](C)[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001171916476 1049819639 /nfs/dbraw/zinc/81/96/39/1049819639.db2.gz MEXZSCUPXOLBGS-PKOBYXMFSA-N 1 0 348.531 4.147 20 30 EIEDRO N#Cc1ccc(F)c(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000813858839 1049823814 /nfs/dbraw/zinc/82/38/14/1049823814.db2.gz CMEWEONWTHCUJZ-MGPUTAFESA-N 1 0 342.389 4.094 20 30 EIEDRO CC1(C)C[C@@H](N[C@@H](C#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171961593 1049824221 /nfs/dbraw/zinc/82/42/21/1049824221.db2.gz AQEITWBLZPPROU-SFTDATJTSA-N 1 0 333.479 4.284 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC001171921791 1049828113 /nfs/dbraw/zinc/82/81/13/1049828113.db2.gz XHXOHBLUKVQDLS-ZYHUDNBSSA-N 1 0 335.801 4.317 20 30 EIEDRO CCOC(=O)C1(C)CCC([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)CC1 ZINC001171940681 1049831016 /nfs/dbraw/zinc/83/10/16/1049831016.db2.gz DCTQZZGFGZCRGG-OBXNSHGQSA-N 1 0 342.483 4.357 20 30 EIEDRO CC1(C)C[C@@H](NC2(CC#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977634 1049837593 /nfs/dbraw/zinc/83/75/93/1049837593.db2.gz SNIXGFKQYFWBCJ-IBGZPJMESA-N 1 0 325.500 4.246 20 30 EIEDRO CC(C)[C@@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063581 1049849841 /nfs/dbraw/zinc/84/98/41/1049849841.db2.gz BYQNDZYEDWEUIZ-MXEMCNAFSA-N 1 0 325.500 4.100 20 30 EIEDRO N#Cc1ccccc1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066006 1049851055 /nfs/dbraw/zinc/85/10/55/1049851055.db2.gz SOEVERPCBJRVCV-WBDAEOGXSA-N 1 0 345.490 4.234 20 30 EIEDRO N#C[C@@H](N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC001172064548 1049851318 /nfs/dbraw/zinc/85/13/18/1049851318.db2.gz HCKZMSMNWNSXET-KAOXLYBCSA-N 1 0 345.490 4.427 20 30 EIEDRO N#Cc1cccc(OCCC[NH2+][C@H]2CCc3c(Cl)cccc3C2)c1 ZINC001171023063 1049866919 /nfs/dbraw/zinc/86/69/19/1049866919.db2.gz SRPMMNKXKSEEFK-KRWDZBQOSA-N 1 0 340.854 4.128 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC001172301347 1049872952 /nfs/dbraw/zinc/87/29/52/1049872952.db2.gz NAJKWRVYPRHFMZ-QGZVFWFLSA-N 1 0 327.431 4.341 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC001172301517 1049873003 /nfs/dbraw/zinc/87/30/03/1049873003.db2.gz PSYPGGRWECMMSJ-JTSKRJEESA-N 1 0 334.463 4.247 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccc(Cl)cn1)C1CC1 ZINC001172303921 1049873603 /nfs/dbraw/zinc/87/36/03/1049873603.db2.gz FYRPWMOWSMVPFZ-DJJJIMSYSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1cccnc1Cl)C1CC1 ZINC001172303912 1049874001 /nfs/dbraw/zinc/87/40/01/1049874001.db2.gz FVLUFMMBSKTBHG-SCLBCKFNSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1cc(Br)cs1 ZINC001172305033 1049874005 /nfs/dbraw/zinc/87/40/05/1049874005.db2.gz PITSLIYXEIOYHK-LBPRGKRZSA-N 1 0 349.297 4.146 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC001172305111 1049874078 /nfs/dbraw/zinc/87/40/78/1049874078.db2.gz QRNMRGICVZYLIO-RBZFPXEDSA-N 1 0 326.390 4.435 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1cc(Br)cs1 ZINC001172305030 1049874189 /nfs/dbraw/zinc/87/41/89/1049874189.db2.gz PITSLIYXEIOYHK-GFCCVEGCSA-N 1 0 349.297 4.146 20 30 EIEDRO COc1ccc(C2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172307331 1049874410 /nfs/dbraw/zinc/87/44/10/1049874410.db2.gz OFILSYOSWOWTLZ-KRWDZBQOSA-N 1 0 334.463 4.377 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCC(C(F)(F)F)C(F)(F)F ZINC001172307893 1049874695 /nfs/dbraw/zinc/87/46/95/1049874695.db2.gz HNDUQRVUJVVQIF-SNVBAGLBSA-N 1 0 338.295 4.210 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCOc2ccc(Cl)cc21 ZINC001172307076 1049874925 /nfs/dbraw/zinc/87/49/25/1049874925.db2.gz BMJJAFSQADNZCY-FZKQIMNGSA-N 1 0 326.827 4.256 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001172308420 1049875017 /nfs/dbraw/zinc/87/50/17/1049875017.db2.gz XVCUAQAKHWGVBW-IBGZPJMESA-N 1 0 347.506 4.086 20 30 EIEDRO COc1cccc(C2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172313338 1049875470 /nfs/dbraw/zinc/87/54/70/1049875470.db2.gz VBTDYRVLAFCGFM-KRWDZBQOSA-N 1 0 334.463 4.377 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](CC)C2CCCC2)ccc1OC ZINC000823848061 1049881480 /nfs/dbraw/zinc/88/14/80/1049881480.db2.gz PQJXTRZNXZASKX-QZTJIDSGSA-N 1 0 330.472 4.435 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(N2CCCCC2)c1 ZINC001172296393 1049881611 /nfs/dbraw/zinc/88/16/11/1049881611.db2.gz YYFDAXBZNZKRSL-SFHVURJKSA-N 1 0 333.479 4.269 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)N(CC[NH3+])c1cccc2ccccc21 ZINC001172293443 1049881879 /nfs/dbraw/zinc/88/18/79/1049881879.db2.gz WSFNHJWMGMYFOJ-QGZVFWFLSA-N 1 0 329.447 4.108 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1cc(CC[NH3+])c2ccc(Cl)cc21 ZINC001172299737 1049882614 /nfs/dbraw/zinc/88/26/14/1049882614.db2.gz OIDQXUYTCJMFNK-AWEZNQCLSA-N 1 0 337.854 4.471 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC[C@@H]1CCc2ccc3c(c21)CCO3 ZINC001172299150 1049883067 /nfs/dbraw/zinc/88/30/67/1049883067.db2.gz FXFIWVRPZQFGMQ-UZLBHIALSA-N 1 0 346.474 4.134 20 30 EIEDRO CCC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C1CCC1 ZINC001171036102 1049884291 /nfs/dbraw/zinc/88/42/91/1049884291.db2.gz LEVXSMKGSOXRFQ-FQEVSTJZSA-N 1 0 341.499 4.109 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]C2CCC(CSC)CC2)c1 ZINC000823887718 1049886371 /nfs/dbraw/zinc/88/63/71/1049886371.db2.gz OGBQVAZNTJZNSQ-VMWRSERWSA-N 1 0 332.513 4.379 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC001172345648 1049890294 /nfs/dbraw/zinc/89/02/94/1049890294.db2.gz AZAUWGJKCKNIKV-QGZVFWFLSA-N 1 0 325.518 4.319 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC001172352089 1049892053 /nfs/dbraw/zinc/89/20/53/1049892053.db2.gz YOYKGSQVKFMJJH-LJQANCHMSA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC001172351854 1049892448 /nfs/dbraw/zinc/89/24/48/1049892448.db2.gz WYPQBODEGHFVCH-SFHVURJKSA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCC[C@@H](CC)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001172355420 1049893808 /nfs/dbraw/zinc/89/38/08/1049893808.db2.gz BPEWUAMFVBMLKR-RTBURBONSA-N 1 0 334.552 4.016 20 30 EIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC001172357117 1049894103 /nfs/dbraw/zinc/89/41/03/1049894103.db2.gz BNQNKUGLKAVAFJ-IBGZPJMESA-N 1 0 337.552 4.395 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccsc3Cl)CC2)nc1 ZINC000616479017 1049894320 /nfs/dbraw/zinc/89/43/20/1049894320.db2.gz KPQMYAISOGIZKU-UHFFFAOYSA-N 1 0 347.871 4.148 20 30 EIEDRO N=C(Nc1ccc2c(c1)[nH]c1cc[nH+]cc12)c1ccc2ccccc2n1 ZINC001171048302 1049902658 /nfs/dbraw/zinc/90/26/58/1049902658.db2.gz OGBQNLRAOAHRRX-UHFFFAOYSA-N 1 0 337.386 4.301 20 30 EIEDRO COc1ccc([C@H](C[NH2+][C@@H](C)CCCC#N)C2(O)CCCCC2)cc1 ZINC001172483070 1049909660 /nfs/dbraw/zinc/90/96/60/1049909660.db2.gz MVZYLRCXMFTBAW-PXNSSMCTSA-N 1 0 344.499 4.146 20 30 EIEDRO COCCS[C@H](C[NH2+][C@@H](C)CCCC#N)c1ccc(Cl)cc1 ZINC001172487448 1049911605 /nfs/dbraw/zinc/91/16/05/1049911605.db2.gz BFUWGBKFJQTYBP-WMLDXEAASA-N 1 0 340.920 4.433 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1F ZINC000616752299 1049917614 /nfs/dbraw/zinc/91/76/14/1049917614.db2.gz VUQPCWGLCDMYEI-UHFFFAOYSA-N 1 0 330.353 4.355 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@H](CO)c1ccc(Cl)c(C(F)(F)F)c1 ZINC001172489210 1049920279 /nfs/dbraw/zinc/92/02/79/1049920279.db2.gz PADXUWHLIBAJTQ-IINYFYTJSA-N 1 0 334.769 4.064 20 30 EIEDRO C=C(C)C[N@@H+](CC)[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172530792 1049920334 /nfs/dbraw/zinc/92/03/34/1049920334.db2.gz IDNGUXIOELSQDN-PCCBWWKXSA-N 1 0 340.511 4.215 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CSc2ccc(Br)cc2C1 ZINC001172490817 1049920824 /nfs/dbraw/zinc/92/08/24/1049920824.db2.gz LDHLUUNQEOHYHX-SMDDNHRTSA-N 1 0 339.302 4.138 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]Cc1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC001172492885 1049921586 /nfs/dbraw/zinc/92/15/86/1049921586.db2.gz VFQXELUZZITLRI-OAHLLOKOSA-N 1 0 331.460 4.230 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172495738 1049921848 /nfs/dbraw/zinc/92/18/48/1049921848.db2.gz HHGLFTPCFDPCTF-KRWDZBQOSA-N 1 0 349.519 4.182 20 30 EIEDRO COc1ccc(CN2CCCC[C@@H]2C[N@H+](C)[C@@H](C)CCCC#N)cc1 ZINC001172498356 1049922625 /nfs/dbraw/zinc/92/26/25/1049922625.db2.gz MCEYKAPWRPKMFS-AZUAARDMSA-N 1 0 343.515 4.064 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001172499465 1049922643 /nfs/dbraw/zinc/92/26/43/1049922643.db2.gz DEQFWDMFKUZKGP-ZDUSSCGKSA-N 1 0 326.271 4.198 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC001172501402 1049923283 /nfs/dbraw/zinc/92/32/83/1049923283.db2.gz HGUBZHROOCBBOG-ZWKOTPCHSA-N 1 0 327.509 4.073 20 30 EIEDRO CCCCCCCC[C@@H](CC)[N@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172505880 1049923810 /nfs/dbraw/zinc/92/38/10/1049923810.db2.gz WMOWHEFGMLGWAK-RBUKOAKNSA-N 1 0 335.536 4.495 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCN(c2ccc(F)c(Cl)c2Cl)CC1 ZINC001172504624 1049923954 /nfs/dbraw/zinc/92/39/54/1049923954.db2.gz HFGYJPRHZVKCIF-LBPRGKRZSA-N 1 0 344.261 4.337 20 30 EIEDRO CCCCCCCC[C@@H](CC)NC1(C(=O)OCC)CC[NH+](C)CC1 ZINC001172503252 1049924032 /nfs/dbraw/zinc/92/40/32/1049924032.db2.gz PVPCEIJDQJLEMB-GOSISDBHSA-N 1 0 340.552 4.133 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+]Cc1ccnc(OCCOC)n1 ZINC001172503948 1049924108 /nfs/dbraw/zinc/92/41/08/1049924108.db2.gz UPPAMWMHRXNIDV-QGZVFWFLSA-N 1 0 337.508 4.121 20 30 EIEDRO C[C@@H](CCCC#N)[N@H+](C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172504649 1049924294 /nfs/dbraw/zinc/92/42/94/1049924294.db2.gz HOGPHICPJVKGGN-FUHWJXTLSA-N 1 0 349.519 4.323 20 30 EIEDRO CCCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001172503799 1049924418 /nfs/dbraw/zinc/92/44/18/1049924418.db2.gz BGAHNRDGQNLWDH-WSTZPKSXSA-N 1 0 349.519 4.107 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC001172508746 1049925618 /nfs/dbraw/zinc/92/56/18/1049925618.db2.gz NNPLTARKDHOOOH-KRWDZBQOSA-N 1 0 325.541 4.251 20 30 EIEDRO CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1[C@H](C)CCCC#N ZINC001172510067 1049925770 /nfs/dbraw/zinc/92/57/70/1049925770.db2.gz VATKTQUIENCLIV-QRQLOZEOSA-N 1 0 328.456 4.228 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001172510335 1049925902 /nfs/dbraw/zinc/92/59/02/1049925902.db2.gz ZYBPXSSEYSAGPD-OAHLLOKOSA-N 1 0 343.471 4.474 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001172512013 1049927226 /nfs/dbraw/zinc/92/72/26/1049927226.db2.gz XZNUQTHZODWBOA-QGZVFWFLSA-N 1 0 336.520 4.034 20 30 EIEDRO CC[C@H]1CC[C@H](C2CCC([NH+]3CCN(CCC#N)CC3)CC2)CC1 ZINC001172586946 1049953187 /nfs/dbraw/zinc/95/31/87/1049953187.db2.gz JBLFEILZSDKIKJ-GOHCJOFJSA-N 1 0 331.548 4.293 20 30 EIEDRO C=CCOC(=O)N1CCC2(C[NH+](C3CCC4(CCCC4)CC3)C2)CC1 ZINC001172727008 1049966848 /nfs/dbraw/zinc/96/68/48/1049966848.db2.gz MVFBNMNIPNLPRU-UHFFFAOYSA-N 1 0 346.515 4.210 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(-c2cccnc2)cc1 ZINC000181321739 1050097150 /nfs/dbraw/zinc/09/71/50/1050097150.db2.gz DAFZNFNMJPBQPP-QGZVFWFLSA-N 1 0 343.430 4.350 20 30 EIEDRO C=CC[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000617779830 1050107682 /nfs/dbraw/zinc/10/76/82/1050107682.db2.gz JIOOXZUWECLXQG-GOSISDBHSA-N 1 0 326.484 4.101 20 30 EIEDRO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)N2CCCC2)c1 ZINC000181401350 1050116046 /nfs/dbraw/zinc/11/60/46/1050116046.db2.gz ZPDSRQQWBQONPA-VGSWGCGISA-N 1 0 349.478 4.055 20 30 EIEDRO CC(C)[C@H](C#N)OC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000181532628 1050176883 /nfs/dbraw/zinc/17/68/83/1050176883.db2.gz ZTBUPPUDJOUPSD-FQEVSTJZSA-N 1 0 336.435 4.024 20 30 EIEDRO Cc1ccccc1CN1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181523642 1050182154 /nfs/dbraw/zinc/18/21/54/1050182154.db2.gz CYGWFTQSUSGZEK-SFHVURJKSA-N 1 0 333.479 4.182 20 30 EIEDRO CCCOCc1ccccc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181529964 1050184384 /nfs/dbraw/zinc/18/43/84/1050184384.db2.gz MVINOJOJFNBTSN-QGZVFWFLSA-N 1 0 338.451 4.366 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1C#N ZINC000181531889 1050184686 /nfs/dbraw/zinc/18/46/86/1050184686.db2.gz FYBCBJOZMLKYIQ-QGZVFWFLSA-N 1 0 342.826 4.224 20 30 EIEDRO N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001185914055 1050193117 /nfs/dbraw/zinc/19/31/17/1050193117.db2.gz GLDUZGKCUFBQOI-ZWCUEREDSA-N 1 0 349.453 4.410 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000774966221 1050211503 /nfs/dbraw/zinc/21/15/03/1050211503.db2.gz XQHOCBRIAZQGQI-ZDUSSCGKSA-N 1 0 329.241 4.480 20 30 EIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCOc1cccc(C#N)c1 ZINC001172876805 1050215961 /nfs/dbraw/zinc/21/59/61/1050215961.db2.gz CXBVJJMHULOYJP-AWEZNQCLSA-N 1 0 346.883 4.361 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000181601811 1050236164 /nfs/dbraw/zinc/23/61/64/1050236164.db2.gz KVPRPARZHWFRBG-UHFFFAOYSA-N 1 0 328.456 4.035 20 30 EIEDRO CC(C)(C)CC(C)(C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972655 1050248390 /nfs/dbraw/zinc/24/83/90/1050248390.db2.gz BGRAYYUPLMIBHM-GJZGRUSLSA-N 1 0 337.508 4.082 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCC2CCCCCC2)C[C@H]1C#N ZINC001172976554 1050250948 /nfs/dbraw/zinc/25/09/48/1050250948.db2.gz QRXGYYPHCMXEHM-ROUUACIJSA-N 1 0 349.519 4.228 20 30 EIEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC001177566345 1050255750 /nfs/dbraw/zinc/25/57/50/1050255750.db2.gz SRHBASLUKQPZQJ-POAQFYNOSA-N 1 0 327.516 4.422 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC001173073489 1050290108 /nfs/dbraw/zinc/29/01/08/1050290108.db2.gz OYSKXUFBGKHIAQ-CYBMUJFWSA-N 1 0 334.341 4.178 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(OC)cc2C)cc(OC)c1OC ZINC001177753928 1050293869 /nfs/dbraw/zinc/29/38/69/1050293869.db2.gz XMCBYIZKYZKTPE-UHFFFAOYSA-N 1 0 341.451 4.039 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001173086185 1050298861 /nfs/dbraw/zinc/29/88/61/1050298861.db2.gz MRTJQXPQGLYVDL-BPLDGKMQSA-N 1 0 326.362 4.188 20 30 EIEDRO CCCOC1CCC([N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001173100767 1050301896 /nfs/dbraw/zinc/30/18/96/1050301896.db2.gz TXRGDXPAYLPMMJ-MHJFOBGBSA-N 1 0 342.483 4.139 20 30 EIEDRO CCCOC1CCC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001173101889 1050302839 /nfs/dbraw/zinc/30/28/39/1050302839.db2.gz VQAHVXZCDKOKIS-UHFFFAOYSA-N 1 0 326.484 4.475 20 30 EIEDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Nc1ccccc1 ZINC000181719333 1050311610 /nfs/dbraw/zinc/31/16/10/1050311610.db2.gz UTAWVVWLNZDESW-UWJYYQICSA-N 1 0 337.467 4.376 20 30 EIEDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Nc1ccccc1 ZINC000181719315 1050311875 /nfs/dbraw/zinc/31/18/75/1050311875.db2.gz UTAWVVWLNZDESW-LAUBAEHRSA-N 1 0 337.467 4.376 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc1OC ZINC000069752705 1050327780 /nfs/dbraw/zinc/32/77/80/1050327780.db2.gz MFCSSZKUBILNEM-YOEHRIQHSA-N 1 0 327.424 4.266 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@H](SCC)C2)cc(OC)c1O ZINC001177948673 1050346382 /nfs/dbraw/zinc/34/63/82/1050346382.db2.gz LKWVYQQAOKJEBL-IRXDYDNUSA-N 1 0 335.513 4.283 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1cccc(C#N)c1 ZINC000181842916 1050352499 /nfs/dbraw/zinc/35/24/99/1050352499.db2.gz UGFUJUDAYNNEHJ-HNNXBMFYSA-N 1 0 330.435 4.023 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)c1ccc(OCC#N)cc1 ZINC000181843531 1050356101 /nfs/dbraw/zinc/35/61/01/1050356101.db2.gz ARKGIFWEQPUPOJ-SJORKVTESA-N 1 0 346.434 4.186 20 30 EIEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)c(C)c1)Oc1cccc(Cl)c1 ZINC001177981630 1050362087 /nfs/dbraw/zinc/36/20/87/1050362087.db2.gz OOQCOSPDSAUYEH-GOSISDBHSA-N 1 0 328.843 4.467 20 30 EIEDRO CC1(C)CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181891236 1050369543 /nfs/dbraw/zinc/36/95/43/1050369543.db2.gz KNCBUKMYXUHGAW-HXUWFJFHSA-N 1 0 325.500 4.081 20 30 EIEDRO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001173265818 1050389363 /nfs/dbraw/zinc/38/93/63/1050389363.db2.gz AVOSOJVLELHZNR-AKCHCHLHSA-N 1 0 337.467 4.272 20 30 EIEDRO CCCCCCCC[C@@H](CCC)[NH2+]C1CCN(C(=O)NC)CC1 ZINC001173310462 1050404106 /nfs/dbraw/zinc/40/41/06/1050404106.db2.gz VVPYTVVIUMUYIK-QGZVFWFLSA-N 1 0 325.541 4.299 20 30 EIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1CC[C@H](CC)C1)CC2 ZINC001173276895 1050406245 /nfs/dbraw/zinc/40/62/45/1050406245.db2.gz ZDMOSEDLROEREY-ZWKOTPCHSA-N 1 0 334.504 4.066 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(Oc3ccccc3OC)CC2)CC1 ZINC001173323016 1050415017 /nfs/dbraw/zinc/41/50/17/1050415017.db2.gz BAOWDWORSSECAW-UHFFFAOYSA-N 1 0 345.483 4.052 20 30 EIEDRO CC[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000618570159 1050419270 /nfs/dbraw/zinc/41/92/70/1050419270.db2.gz UMRDCNNLMYEHMT-OAQYLSRUSA-N 1 0 348.425 4.166 20 30 EIEDRO COC(=O)c1cccc(C2CC[NH+](C3CCC(CC#N)CC3)CC2)c1 ZINC001173337089 1050424430 /nfs/dbraw/zinc/42/44/30/1050424430.db2.gz YWDVEGZUBJXAIE-UHFFFAOYSA-N 1 0 340.467 4.125 20 30 EIEDRO C[N@H+](C1CCC(CC#N)CC1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001173337005 1050425305 /nfs/dbraw/zinc/42/53/05/1050425305.db2.gz VJRLRZHYBORBHO-ZGUYJTEBSA-N 1 0 349.519 4.227 20 30 EIEDRO N#CCC1CCC([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001173338520 1050427294 /nfs/dbraw/zinc/42/72/94/1050427294.db2.gz IVQZPHFMIPQBGG-GQGLESIBSA-N 1 0 329.875 4.075 20 30 EIEDRO CC[N@H+]([C@H]1CCN(Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173337323 1050427860 /nfs/dbraw/zinc/42/78/60/1050427860.db2.gz HKHBYCIERSISRX-MNLRITNHSA-N 1 0 325.500 4.055 20 30 EIEDRO COc1cccc(O[C@@H]2CCC[N@@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173339971 1050428168 /nfs/dbraw/zinc/42/81/68/1050428168.db2.gz WUGDLFXEBONMQD-LBXVMSDZSA-N 1 0 328.456 4.011 20 30 EIEDRO N#CCC1CCC([N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001173337488 1050428609 /nfs/dbraw/zinc/42/86/09/1050428609.db2.gz MBVMGRAMHADWPD-UHFFFAOYSA-N 1 0 341.282 4.260 20 30 EIEDRO Cc1cc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)ccc1C#N ZINC000618593936 1050429136 /nfs/dbraw/zinc/42/91/36/1050429136.db2.gz ZAAHPHXOKMGIRF-FGZHOGPDSA-N 1 0 334.463 4.466 20 30 EIEDRO C[C@@H]1C[N@@H+](C2CCC(CC#N)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001173340973 1050430329 /nfs/dbraw/zinc/43/03/29/1050430329.db2.gz OLEVKKBBJTZNBL-NQAMIAIDSA-N 1 0 325.500 4.054 20 30 EIEDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173340689 1050430480 /nfs/dbraw/zinc/43/04/80/1050430480.db2.gz JPPUVULWBCOUCL-XUJQIHCRSA-N 1 0 326.440 4.083 20 30 EIEDRO Cc1cc(C[NH+]2CCC(OCc3ccccc3F)CC2)ccc1C#N ZINC000618601938 1050434485 /nfs/dbraw/zinc/43/44/85/1050434485.db2.gz WHPRRBYSTIFPAT-UHFFFAOYSA-N 1 0 338.426 4.187 20 30 EIEDRO C=CCOC1CCC([NH2+]CCOc2cccc3ccccc32)CC1 ZINC001173315728 1050438892 /nfs/dbraw/zinc/43/88/92/1050438892.db2.gz QUDWQDYSARTELX-UHFFFAOYSA-N 1 0 325.452 4.322 20 30 EIEDRO C=CCOC1CCC([NH2+]CC2(Cc3ccc(OC)cc3)CC2)CC1 ZINC001173317449 1050441490 /nfs/dbraw/zinc/44/14/90/1050441490.db2.gz JBFYPBAMFDAERW-UHFFFAOYSA-N 1 0 329.484 4.121 20 30 EIEDRO C=C1CC=C(F)C=C1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186945862 1050451050 /nfs/dbraw/zinc/45/10/50/1050451050.db2.gz QPKATDLSCIFSOC-UHFFFAOYSA-N 1 0 326.415 4.100 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000618729150 1050489845 /nfs/dbraw/zinc/48/98/45/1050489845.db2.gz LJYJAHYBYRCWLA-UHFFFAOYSA-N 1 0 347.871 4.148 20 30 EIEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173585984 1050492253 /nfs/dbraw/zinc/49/22/53/1050492253.db2.gz BHMSMQOYMNQUHL-BIFBGBROSA-N 1 0 349.519 4.132 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccccc2)[C@@H](N)c2ccccc2)CC1 ZINC001173590304 1050494298 /nfs/dbraw/zinc/49/42/98/1050494298.db2.gz FRKJDAXLXQTYFU-UTZODRGISA-N 1 0 333.479 4.490 20 30 EIEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2C1CCC(C)(C#N)CC1 ZINC001173588240 1050494565 /nfs/dbraw/zinc/49/45/65/1050494565.db2.gz AEYGLLMTZNQBPU-UHFFFAOYSA-N 1 0 325.456 4.105 20 30 EIEDRO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173593419 1050496681 /nfs/dbraw/zinc/49/66/81/1050496681.db2.gz IXYABTUHDIOFCU-JFBVMJNESA-N 1 0 349.519 4.084 20 30 EIEDRO C[N@H+](CCc1cccc(C(F)(F)F)n1)C1CCC(C)(C#N)CC1 ZINC001173592543 1050497340 /nfs/dbraw/zinc/49/73/40/1050497340.db2.gz SOTSXRSAXUXALX-UHFFFAOYSA-N 1 0 325.378 4.047 20 30 EIEDRO C=CCCCC[NH2+]Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001178546148 1050498162 /nfs/dbraw/zinc/49/81/62/1050498162.db2.gz KBQFYDMLDLBHCH-UHFFFAOYSA-N 1 0 344.499 4.426 20 30 EIEDRO CN1CCC([N@H+](Cc2ccc(F)cc2)C2CCC(C)(C#N)CC2)CC1 ZINC001173596745 1050499241 /nfs/dbraw/zinc/49/92/41/1050499241.db2.gz CEXAGVOELSMPPG-UHFFFAOYSA-N 1 0 343.490 4.194 20 30 EIEDRO C[N@H+](C1CCC(C)(C#N)CC1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001173600928 1050501105 /nfs/dbraw/zinc/50/11/05/1050501105.db2.gz MKKKWDRRDWUJMK-ASPXRTSYSA-N 1 0 349.519 4.227 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173600608 1050501813 /nfs/dbraw/zinc/50/18/13/1050501813.db2.gz GNDQFIWEYRJRPW-OVPXZRGXSA-N 1 0 346.515 4.434 20 30 EIEDRO CCC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173600653 1050502109 /nfs/dbraw/zinc/50/21/09/1050502109.db2.gz HSOYVMQWABTOIZ-OHTSDLOESA-N 1 0 349.519 4.180 20 30 EIEDRO C[N@H+](C1CCC(C)(C#N)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001173601510 1050502516 /nfs/dbraw/zinc/50/25/16/1050502516.db2.gz UTHQEIXGRCLICX-UHFFFAOYSA-N 1 0 349.519 4.180 20 30 EIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c1C ZINC000618802394 1050519087 /nfs/dbraw/zinc/51/90/87/1050519087.db2.gz DNQIFLHQHWFGSD-VFNWGFHPSA-N 1 0 347.462 4.169 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)cc1 ZINC001178629872 1050520395 /nfs/dbraw/zinc/52/03/95/1050520395.db2.gz WJNRLLWZXDOKPU-UHFFFAOYSA-N 1 0 335.378 4.388 20 30 EIEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618802346 1050522268 /nfs/dbraw/zinc/52/22/68/1050522268.db2.gz DJEBMWQTYPUKMA-VFNWGFHPSA-N 1 0 347.462 4.115 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618807450 1050536833 /nfs/dbraw/zinc/53/68/33/1050536833.db2.gz ZKTRIEFESNYPOE-IFXJQAMLSA-N 1 0 336.435 4.222 20 30 EIEDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618806035 1050537416 /nfs/dbraw/zinc/53/74/16/1050537416.db2.gz MSGVCBVLBGPBBU-LIRRHRJNSA-N 1 0 330.435 4.033 20 30 EIEDRO C=CC[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC001178732330 1050540589 /nfs/dbraw/zinc/54/05/89/1050540589.db2.gz RFLLXQRFSBUDNE-STZQEDGTSA-N 1 0 348.490 4.188 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000618831444 1050544615 /nfs/dbraw/zinc/54/46/15/1050544615.db2.gz SELLIULQVJPSSC-QGZVFWFLSA-N 1 0 334.316 4.493 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618831260 1050545336 /nfs/dbraw/zinc/54/53/36/1050545336.db2.gz CYGOGFFYRFGRFM-FQEVSTJZSA-N 1 0 348.446 4.291 20 30 EIEDRO N#CC1CC[NH+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173703794 1050548488 /nfs/dbraw/zinc/54/84/88/1050548488.db2.gz LFEBBVFRGLQTCU-QFIPXVFZSA-N 1 0 346.474 4.358 20 30 EIEDRO N#CC1CC[NH+]([C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173703792 1050549416 /nfs/dbraw/zinc/54/94/16/1050549416.db2.gz LFEBBVFRGLQTCU-JOCHJYFZSA-N 1 0 346.474 4.358 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cc(C(OC)OC)ccc1F ZINC001178939503 1050592039 /nfs/dbraw/zinc/59/20/39/1050592039.db2.gz HZPYQOVZGUOUEN-LJQANCHMSA-N 1 0 343.442 4.394 20 30 EIEDRO CC[C@@H]1CCC[C@H](C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC001179053395 1050617413 /nfs/dbraw/zinc/61/74/13/1050617413.db2.gz KYWBGISAAWRCPR-QUCCMNQESA-N 1 0 339.527 4.329 20 30 EIEDRO C=CCCSCC[NH2+]Cc1c(F)cc(Br)cc1F ZINC001179100403 1050624162 /nfs/dbraw/zinc/62/41/62/1050624162.db2.gz LATWWVZQFQAXLG-UHFFFAOYSA-N 1 0 336.245 4.126 20 30 EIEDRO N#CCCn1cc(C[NH+]2CCC3(CCCC3)CC2)c(-c2ccncc2)n1 ZINC000619073137 1050636890 /nfs/dbraw/zinc/63/68/90/1050636890.db2.gz CAWHCBFFWMXXHU-UHFFFAOYSA-N 1 0 349.482 4.015 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1cc(F)c(Br)cc1C#N ZINC001173931521 1050652862 /nfs/dbraw/zinc/65/28/62/1050652862.db2.gz KTZQTWXPJOCYPD-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO CC1(C)CCC[C@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC001179304325 1050667225 /nfs/dbraw/zinc/66/72/25/1050667225.db2.gz JKQFBUARWVMCAK-SFHVURJKSA-N 1 0 325.500 4.476 20 30 EIEDRO COc1cc(C[NH2+]Cc2cn(C(F)F)c3ccccc23)ccc1C#N ZINC001179324986 1050675119 /nfs/dbraw/zinc/67/51/19/1050675119.db2.gz HOCWMQKPCVXWRN-UHFFFAOYSA-N 1 0 341.361 4.206 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC001179386111 1050687192 /nfs/dbraw/zinc/68/71/92/1050687192.db2.gz HWIXKZLFGQLWBF-DOTOQJQBSA-N 1 0 325.374 4.486 20 30 EIEDRO Cc1ccc(C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)cc1C#N ZINC001179562572 1050715852 /nfs/dbraw/zinc/71/58/52/1050715852.db2.gz GFAVJWWIXLENNE-OAQYLSRUSA-N 1 0 333.479 4.009 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)COCC2CCCCC2)cc1 ZINC001179636209 1050745745 /nfs/dbraw/zinc/74/57/45/1050745745.db2.gz BLUHNNWVKZKXSW-SFHVURJKSA-N 1 0 329.484 4.164 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCc3ccccc3C2)cc1 ZINC001179707115 1050760306 /nfs/dbraw/zinc/76/03/06/1050760306.db2.gz ZLIATYKDMKZAHK-OAQYLSRUSA-N 1 0 333.479 4.074 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2ncccc2C)ccc1OC ZINC001179784217 1050777986 /nfs/dbraw/zinc/77/79/86/1050777986.db2.gz CHZSOAFCDYZSFS-MRXNPFEDSA-N 1 0 326.440 4.204 20 30 EIEDRO Cc1oc2ccccc2c1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001179845350 1050796363 /nfs/dbraw/zinc/79/63/63/1050796363.db2.gz QASZUSXPQPEERL-OAQYLSRUSA-N 1 0 345.446 4.124 20 30 EIEDRO CC(C)[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccnn1C ZINC000619508726 1050796807 /nfs/dbraw/zinc/79/68/07/1050796807.db2.gz LYEBHFPTRRSKPK-WOJBJXKFSA-N 1 0 336.483 4.089 20 30 EIEDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508417 1050796841 /nfs/dbraw/zinc/79/68/41/1050796841.db2.gz PXNVISQKOOVRCA-LEWJYISDSA-N 1 0 348.446 4.448 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000619508150 1050797004 /nfs/dbraw/zinc/79/70/04/1050797004.db2.gz NCSPFLMZQXHTDD-YWZLYKJASA-N 1 0 348.446 4.448 20 30 EIEDRO C[C@@H](NCc1cc(Cl)ccc1OCC#N)c1cccc([N+](=O)[O-])c1 ZINC000775187617 1050822043 /nfs/dbraw/zinc/82/20/43/1050822043.db2.gz QZEXYXJJIBYSOV-GFCCVEGCSA-N 1 0 345.786 4.001 20 30 EIEDRO CCc1ccc(N2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)cc1 ZINC001179909918 1050832480 /nfs/dbraw/zinc/83/24/80/1050832480.db2.gz WRJREYFGHWHAGF-UHFFFAOYSA-N 1 0 345.490 4.126 20 30 EIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(OC)cc1 ZINC000619620326 1050840516 /nfs/dbraw/zinc/84/05/16/1050840516.db2.gz WMGHQZXUUYTNNG-UHFFFAOYSA-N 1 0 330.472 4.008 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000619655168 1050846878 /nfs/dbraw/zinc/84/68/78/1050846878.db2.gz MUGASRZZRZBRQH-UHFFFAOYSA-N 1 0 328.790 4.361 20 30 EIEDRO COc1ccc(C(C)(C)C[N@H+](CCC#N)CC(C)(C)C)cc1OC ZINC001180031188 1050859401 /nfs/dbraw/zinc/85/94/01/1050859401.db2.gz WMIXMFCRAIRUGE-UHFFFAOYSA-N 1 0 332.488 4.243 20 30 EIEDRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000182906733 1050876829 /nfs/dbraw/zinc/87/68/29/1050876829.db2.gz GURZLLMXXVDAQN-AWEZNQCLSA-N 1 0 341.842 4.118 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619755334 1050882845 /nfs/dbraw/zinc/88/28/45/1050882845.db2.gz XGTLACTUQNXJDF-ZDUSSCGKSA-N 1 0 344.842 4.388 20 30 EIEDRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619754901 1050885212 /nfs/dbraw/zinc/88/52/12/1050885212.db2.gz OGBYNGPLTKPFER-NSHDSACASA-N 1 0 349.887 4.016 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619755387 1050885992 /nfs/dbraw/zinc/88/59/92/1050885992.db2.gz HBAZTKWUNXFXJJ-CQSZACIVSA-N 1 0 328.843 4.331 20 30 EIEDRO C#CC[N@@H+](C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)CC1CC1 ZINC001180117584 1050891184 /nfs/dbraw/zinc/89/11/84/1050891184.db2.gz ZFYAFJBGNDPQGI-KRWDZBQOSA-N 1 0 336.520 4.051 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000152952750 1050907058 /nfs/dbraw/zinc/90/70/58/1050907058.db2.gz DHBSLJZBLZWDPB-CQSZACIVSA-N 1 0 342.405 4.276 20 30 EIEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000619822009 1050922258 /nfs/dbraw/zinc/92/22/58/1050922258.db2.gz CFJAJVDWZGULII-IWMITWMQSA-N 1 0 348.446 4.391 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000619822887 1050922297 /nfs/dbraw/zinc/92/22/97/1050922297.db2.gz YZTJHQCUAJYPPO-PVUWLOKVSA-N 1 0 333.273 4.498 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC001189274784 1050956207 /nfs/dbraw/zinc/95/62/07/1050956207.db2.gz JWYNZMOIRNCISH-UHFFFAOYSA-N 1 0 343.515 4.127 20 30 EIEDRO CC(C)c1cccc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC001180363623 1050982395 /nfs/dbraw/zinc/98/23/95/1050982395.db2.gz ABPBHPOIQUQOBG-UHFFFAOYSA-N 1 0 347.506 4.390 20 30 EIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC001203234379 1050988017 /nfs/dbraw/zinc/98/80/17/1050988017.db2.gz GCNFTKWVSQMVFV-UHFFFAOYSA-N 1 0 331.378 4.328 20 30 EIEDRO C#CCCC[NH2+][C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000775253089 1050992207 /nfs/dbraw/zinc/99/22/07/1050992207.db2.gz OZUCFFDSQHDIGY-FQEVSTJZSA-N 1 0 337.463 4.299 20 30 EIEDRO COc1ccc(-c2ccncc2)cc1CNCc1cc(C#N)ccc1F ZINC000775309723 1051045887 /nfs/dbraw/zinc/04/58/87/1051045887.db2.gz BKHBPULEMKNWFC-UHFFFAOYSA-N 1 0 347.393 4.058 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC001174573568 1051059480 /nfs/dbraw/zinc/05/94/80/1051059480.db2.gz FUDFHJWBXVYPJH-RTBURBONSA-N 1 0 326.484 4.391 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000076153779 1051095606 /nfs/dbraw/zinc/09/56/06/1051095606.db2.gz VBRNIXVJRZXWTK-FGZHOGPDSA-N 1 0 342.446 4.144 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001190349377 1051159578 /nfs/dbraw/zinc/15/95/78/1051159578.db2.gz WCOCGEZYCHQLQI-JOCHJYFZSA-N 1 0 333.479 4.045 20 30 EIEDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1ccc(CC#N)cc1 ZINC001190418190 1051178585 /nfs/dbraw/zinc/17/85/85/1051178585.db2.gz WQRHDELHLBRBMG-UHFFFAOYSA-N 1 0 328.843 4.307 20 30 EIEDRO Cc1cc(C#N)c(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC001174817496 1051186477 /nfs/dbraw/zinc/18/64/77/1051186477.db2.gz QDSZSEGWNNMPCQ-UHFFFAOYSA-N 1 0 340.858 4.016 20 30 EIEDRO C=C(C)Nc1ccccc1C[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC001174794759 1051196261 /nfs/dbraw/zinc/19/62/61/1051196261.db2.gz IZAGRDQQDOGSNP-LJQANCHMSA-N 1 0 330.859 4.451 20 30 EIEDRO CC[C@](C)([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000775392138 1051210313 /nfs/dbraw/zinc/21/03/13/1051210313.db2.gz YROMPQGGYAFTMN-IBGZPJMESA-N 1 0 341.842 4.065 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC001181417495 1051218898 /nfs/dbraw/zinc/21/88/98/1051218898.db2.gz ANUKFYWZAYQZMT-UKRRQHHQSA-N 1 0 331.378 4.343 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000775399256 1051222725 /nfs/dbraw/zinc/22/27/25/1051222725.db2.gz QNTLHSOVSZOTPB-HNNXBMFYSA-N 1 0 347.245 4.286 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC001190582342 1051225209 /nfs/dbraw/zinc/22/52/09/1051225209.db2.gz WLOGVYWEVNURQO-HXUWFJFHSA-N 1 0 335.451 4.360 20 30 EIEDRO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001174873128 1051226133 /nfs/dbraw/zinc/22/61/33/1051226133.db2.gz MZUKNMRANDZFRL-INIZCTEOSA-N 1 0 331.463 4.383 20 30 EIEDRO C[NH+]1CCN(c2ccc(Nc3ccc4ccccc4c3)cc2C#N)CC1 ZINC001174875031 1051227570 /nfs/dbraw/zinc/22/75/70/1051227570.db2.gz DYEGRODAJMWFHZ-UHFFFAOYSA-N 1 0 342.446 4.207 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccccc1 ZINC000775400251 1051234996 /nfs/dbraw/zinc/23/49/96/1051234996.db2.gz NKJAMVAHRDQFIS-HXUWFJFHSA-N 1 0 335.447 4.496 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12)c1ccccc1 ZINC000775399776 1051235061 /nfs/dbraw/zinc/23/50/61/1051235061.db2.gz UJLYCWIBHMAIMF-FQEVSTJZSA-N 1 0 331.415 4.264 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccc1 ZINC000775399788 1051235560 /nfs/dbraw/zinc/23/55/60/1051235560.db2.gz JTCKADFDZKFPLN-NRFANRHFSA-N 1 0 343.426 4.136 20 30 EIEDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775401523 1051238520 /nfs/dbraw/zinc/23/85/20/1051238520.db2.gz QWGIZBJTUQODDQ-XMDBHEJHSA-N 1 0 338.426 4.177 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1ccccc1 ZINC000775402687 1051243723 /nfs/dbraw/zinc/24/37/23/1051243723.db2.gz BPUVOCQPAOLURH-LJQANCHMSA-N 1 0 334.463 4.277 20 30 EIEDRO C[C@@H]1CCC[C@H]([N@H+](CCCC#N)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC001190683491 1051255999 /nfs/dbraw/zinc/25/59/99/1051255999.db2.gz WPJFHMMPPMDFAL-RYRKJORJSA-N 1 0 328.456 4.346 20 30 EIEDRO C#CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000775404523 1051258069 /nfs/dbraw/zinc/25/80/69/1051258069.db2.gz PFWAIVHXDDCFPF-ZWKOTPCHSA-N 1 0 334.246 4.381 20 30 EIEDRO C=CCOc1ccc(CNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1 ZINC001181686427 1051267812 /nfs/dbraw/zinc/26/78/12/1051267812.db2.gz HAFMNSJQSACXQI-GCJKJVERSA-N 1 0 342.527 4.384 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000775408670 1051268195 /nfs/dbraw/zinc/26/81/95/1051268195.db2.gz BNLNPAXSIPUQPC-ROUUACIJSA-N 1 0 344.817 4.051 20 30 EIEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1Cl ZINC000183699237 1051275090 /nfs/dbraw/zinc/27/50/90/1051275090.db2.gz OVMSOPHQJLMHSI-MRXNPFEDSA-N 1 0 347.871 4.199 20 30 EIEDRO CCOc1cc(F)c(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1F ZINC001175057626 1051306376 /nfs/dbraw/zinc/30/63/76/1051306376.db2.gz OUVVJORDTPSOBF-UHFFFAOYSA-N 1 0 349.406 4.028 20 30 EIEDRO CCCCCCCCNC(=O)N[C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001191081104 1051345731 /nfs/dbraw/zinc/34/57/31/1051345731.db2.gz FBCISXCDHRCHMH-IYARVYRRSA-N 1 0 325.541 4.299 20 30 EIEDRO CCCCCCCNC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC001191111890 1051354032 /nfs/dbraw/zinc/35/40/32/1051354032.db2.gz VCEMUVHQRFMBPB-KRWDZBQOSA-N 1 0 333.476 4.164 20 30 EIEDRO CN(CC(C)(C)C#N)C[C@@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001181988381 1051366419 /nfs/dbraw/zinc/36/64/19/1051366419.db2.gz ZRAIECZPNBYVPP-QFIPXVFZSA-N 1 0 341.543 4.406 20 30 EIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC001191164652 1051370857 /nfs/dbraw/zinc/37/08/57/1051370857.db2.gz IJDAGDVWWQFSCV-HOTGVXAUSA-N 1 0 340.389 4.212 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC001191132788 1051376491 /nfs/dbraw/zinc/37/64/91/1051376491.db2.gz MOKUOMBTBJKEHN-AWEZNQCLSA-N 1 0 338.879 4.354 20 30 EIEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccc(Br)cc1 ZINC001182035451 1051377686 /nfs/dbraw/zinc/37/76/86/1051377686.db2.gz ZJWVBWTWLHCDLX-SUMWQHHRSA-N 1 0 332.241 4.327 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@H](c2ccccc2)C2CCOCC2)cc1 ZINC000775442375 1051389719 /nfs/dbraw/zinc/38/97/19/1051389719.db2.gz ZIYIGRNMQRPKSV-OAQYLSRUSA-N 1 0 339.866 4.449 20 30 EIEDRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)cc1 ZINC001191180994 1051391095 /nfs/dbraw/zinc/39/10/95/1051391095.db2.gz CKYVNBQTBJIJFZ-HSQYWUDLSA-N 1 0 334.463 4.373 20 30 EIEDRO CCOc1ccc(C)cc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001175122653 1051394043 /nfs/dbraw/zinc/39/40/43/1051394043.db2.gz GTXOLRPEEUMNKZ-UHFFFAOYSA-N 1 0 327.453 4.058 20 30 EIEDRO C#CC[N@@H+](CC#CC)Cc1cccc2c(Br)cccc12 ZINC001191244257 1051408438 /nfs/dbraw/zinc/40/84/38/1051408438.db2.gz HQBFJNHPAXVIMC-UHFFFAOYSA-N 1 0 326.237 4.061 20 30 EIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC001191266816 1051410620 /nfs/dbraw/zinc/41/06/20/1051410620.db2.gz ADNNIUJEBVELIV-OAQYLSRUSA-N 1 0 349.478 4.148 20 30 EIEDRO CCCC[N@H+](CC)[C@H](C(=O)N[C@](C)(C#N)CC(C)C)c1ccccc1 ZINC001182234832 1051431451 /nfs/dbraw/zinc/43/14/51/1051431451.db2.gz GPJROZXWYQAHKE-FPOVZHCZSA-N 1 0 343.515 4.294 20 30 EIEDRO CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC001191454398 1051447744 /nfs/dbraw/zinc/44/77/44/1051447744.db2.gz NURTVQYOAXCMPG-WIYYLYMNSA-N 1 0 347.462 4.012 20 30 EIEDRO CC[NH+](CC)CCN(Cc1ccccc1C(C)(C)C#N)CC(C)C ZINC001191426179 1051455908 /nfs/dbraw/zinc/45/59/08/1051455908.db2.gz ARMZBJURCPSLAV-UHFFFAOYSA-N 1 0 329.532 4.288 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC001175228991 1051458518 /nfs/dbraw/zinc/45/85/18/1051458518.db2.gz KPFKNFVUERLZKF-LJQANCHMSA-N 1 0 342.389 4.081 20 30 EIEDRO C[C@H](Cc1cccs1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC001191463288 1051470364 /nfs/dbraw/zinc/47/03/64/1051470364.db2.gz ALJQCDBZCGFWHN-GFCCVEGCSA-N 1 0 336.407 4.284 20 30 EIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000156070087 1051491522 /nfs/dbraw/zinc/49/15/22/1051491522.db2.gz DUKGRJVMVDCXNX-ZIAGYGMSSA-N 1 0 341.421 4.260 20 30 EIEDRO C=C1CC=C(F)C=C1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001182342841 1051511277 /nfs/dbraw/zinc/51/12/77/1051511277.db2.gz GCUMPCSVPVDORG-SFHVURJKSA-N 1 0 340.442 4.020 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(-c3ccccc3F)s2)cc1F ZINC001182368813 1051527467 /nfs/dbraw/zinc/52/74/67/1051527467.db2.gz HZNLTHZXQOUWFN-UHFFFAOYSA-N 1 0 341.386 4.250 20 30 EIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1 ZINC001191741253 1051537023 /nfs/dbraw/zinc/53/70/23/1051537023.db2.gz IAPDLQWKJJWUKK-VQTJNVASSA-N 1 0 342.389 4.097 20 30 EIEDRO COC(=O)c1cc(Nc2ccc(C[NH+]3CCCCC3)cc2)ccc1C#N ZINC001175363477 1051553179 /nfs/dbraw/zinc/55/31/79/1051553179.db2.gz GSVBDXNFKJMVKW-UHFFFAOYSA-N 1 0 349.434 4.074 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccc(OCC#N)cc1 ZINC000271881012 1051554851 /nfs/dbraw/zinc/55/48/51/1051554851.db2.gz PIQAQGZSFUSWFS-LRVUVFPRSA-N 1 0 326.362 4.361 20 30 EIEDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(Cl)cc(C#N)c1)CCC2 ZINC001191861879 1051560824 /nfs/dbraw/zinc/56/08/24/1051560824.db2.gz NPEMHTCURYJPQH-MRXNPFEDSA-N 1 0 331.872 4.486 20 30 EIEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001192172326 1051645430 /nfs/dbraw/zinc/64/54/30/1051645430.db2.gz BGMWAEDQKIBEAG-KSSFIOAISA-N 1 0 347.890 4.441 20 30 EIEDRO CC1CC[NH+](C[C@@H]2CCCN(c3nc4ccccc4cc3C#N)C2)CC1 ZINC000774524471 1051656492 /nfs/dbraw/zinc/65/64/92/1051656492.db2.gz USNRDWDMTCYYBA-SFHVURJKSA-N 1 0 348.494 4.055 20 30 EIEDRO FC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC001204158461 1051681950 /nfs/dbraw/zinc/68/19/50/1051681950.db2.gz SLXPBMGGGSVJBV-ZYHUDNBSSA-N 1 0 329.259 4.285 20 30 EIEDRO C=CC[NH+](CC=C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000158130275 1051717505 /nfs/dbraw/zinc/71/75/05/1051717505.db2.gz VROHOOMFLUWKRC-UHFFFAOYSA-N 1 0 330.435 4.108 20 30 EIEDRO CCSc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC001192556401 1051756011 /nfs/dbraw/zinc/75/60/11/1051756011.db2.gz CJAHVPUSAHOZKA-IFXJQAMLSA-N 1 0 326.465 4.054 20 30 EIEDRO CCSc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(C#N)c2)cc1 ZINC001192556421 1051756989 /nfs/dbraw/zinc/75/69/89/1051756989.db2.gz CJAHVPUSAHOZKA-LIRRHRJNSA-N 1 0 326.465 4.054 20 30 EIEDRO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)c(C#N)c1 ZINC001175799610 1051766551 /nfs/dbraw/zinc/76/65/51/1051766551.db2.gz UINGILCACSRSQM-UHFFFAOYSA-N 1 0 346.434 4.038 20 30 EIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC001183046067 1051768533 /nfs/dbraw/zinc/76/85/33/1051768533.db2.gz STMUMWWVZOYMKG-ZDUSSCGKSA-N 1 0 338.879 4.258 20 30 EIEDRO C=CCCC[C@@H]([NH2+]CC(=O)N(CC)CC(F)(F)F)c1ccccc1 ZINC001175776244 1051779374 /nfs/dbraw/zinc/77/93/74/1051779374.db2.gz WKIPWECXNVHKAA-MRXNPFEDSA-N 1 0 342.405 4.084 20 30 EIEDRO C#CC[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccc(F)cc2F)C1 ZINC001183065702 1051780522 /nfs/dbraw/zinc/78/05/22/1051780522.db2.gz ONCSMSFURBSKKM-INIZCTEOSA-N 1 0 341.401 4.389 20 30 EIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000158991954 1051802992 /nfs/dbraw/zinc/80/29/92/1051802992.db2.gz KQQQGBIALIJBHW-UHFFFAOYSA-N 1 0 326.440 4.067 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC001183247365 1051816708 /nfs/dbraw/zinc/81/67/08/1051816708.db2.gz BXKKQGDCXQAUMH-QKDSSNGWSA-N 1 0 348.531 4.497 20 30 EIEDRO C#CC[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001192791063 1051818080 /nfs/dbraw/zinc/81/80/80/1051818080.db2.gz FUYXIPKBVRYBMV-GOSISDBHSA-N 1 0 333.353 4.438 20 30 EIEDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001192919499 1051833028 /nfs/dbraw/zinc/83/30/28/1051833028.db2.gz VABALRIJMVTPMI-ROUUACIJSA-N 1 0 333.479 4.140 20 30 EIEDRO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC001193011492 1051852261 /nfs/dbraw/zinc/85/22/61/1051852261.db2.gz JFBXOAYBVPWJQR-AWEZNQCLSA-N 1 0 341.842 4.118 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@]2(C)Cc2ccccc2)cc1 ZINC001193069950 1051861438 /nfs/dbraw/zinc/86/14/38/1051861438.db2.gz ORKNFJRSHXJXDZ-QHCPKHFHSA-N 1 0 346.474 4.094 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)c1csc(-c2csc(C)n2)c1)[C@H]1CCCO1 ZINC000775573966 1051868898 /nfs/dbraw/zinc/86/88/98/1051868898.db2.gz MDWZURYOBSAEOD-DIOULYMOSA-N 1 0 332.494 4.011 20 30 EIEDRO N#Cc1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1C1CC1 ZINC001176011226 1051873637 /nfs/dbraw/zinc/87/36/37/1051873637.db2.gz TYHXYIBKQRULAV-INIZCTEOSA-N 1 0 337.467 4.029 20 30 EIEDRO C#CCCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001193226201 1051892755 /nfs/dbraw/zinc/89/27/55/1051892755.db2.gz VBEJESARBIYTSE-ZWKOTPCHSA-N 1 0 336.520 4.195 20 30 EIEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(C)(C)C)CC1 ZINC001193437282 1051918703 /nfs/dbraw/zinc/91/87/03/1051918703.db2.gz BTVUPWKSLUJSRN-KRWDZBQOSA-N 1 0 341.499 4.080 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000184376743 1051930908 /nfs/dbraw/zinc/93/09/08/1051930908.db2.gz KYRCHALDDHZYEA-ZDUSSCGKSA-N 1 0 335.432 4.062 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621764557 1051939377 /nfs/dbraw/zinc/93/93/77/1051939377.db2.gz IHMKRKVYHNMYIC-CTNGQTDRSA-N 1 0 334.463 4.261 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCC[C@H](C)C2)c1 ZINC001193516537 1051943194 /nfs/dbraw/zinc/94/31/94/1051943194.db2.gz CYDUJDALETUSQH-QFBILLFUSA-N 1 0 341.499 4.061 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001176234923 1051968115 /nfs/dbraw/zinc/96/81/15/1051968115.db2.gz LLTNRFUUSBZSDE-RHSMWYFYSA-N 1 0 337.492 4.444 20 30 EIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001193649929 1051968499 /nfs/dbraw/zinc/96/84/99/1051968499.db2.gz ZMBYDWPIYDNMLL-RDTXWAMCSA-N 1 0 347.890 4.489 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001193662834 1051969611 /nfs/dbraw/zinc/96/96/11/1051969611.db2.gz PBAHKEXHZXGHAN-CZIMDPTCSA-N 1 0 347.547 4.110 20 30 EIEDRO CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC1(C#N)CCOCC1 ZINC001184278857 1051986554 /nfs/dbraw/zinc/98/65/54/1051986554.db2.gz WFWJLFPMTZNTAG-SFHVURJKSA-N 1 0 334.891 4.207 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+]C2[C@H](C)CCC[C@H]2C)cc1 ZINC001194161738 1052091751 /nfs/dbraw/zinc/09/17/51/1052091751.db2.gz CWARPARHDRBNAV-KURKYZTESA-N 1 0 341.499 4.045 20 30 EIEDRO C[C@@H](C[NH+]1CCCCC1)Nc1c(C#N)cnc2c(Cl)cccc21 ZINC001184803248 1052101262 /nfs/dbraw/zinc/10/12/62/1052101262.db2.gz RRUQRBWXIGYQBF-ZDUSSCGKSA-N 1 0 328.847 4.046 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1F ZINC000774826489 1052162684 /nfs/dbraw/zinc/16/26/84/1052162684.db2.gz JMUSGWIUPGVKSE-LBPRGKRZSA-N 1 0 348.805 4.241 20 30 EIEDRO Cc1ccc([C@H](CNc2ncc(C#N)c3ccsc32)[NH+](C)C)cc1 ZINC001185081290 1052172874 /nfs/dbraw/zinc/17/28/74/1052172874.db2.gz LEYBIKGAPLQLQY-KRWDZBQOSA-N 1 0 336.464 4.191 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)c(F)c1 ZINC000131101494 1052174524 /nfs/dbraw/zinc/17/45/24/1052174524.db2.gz ZDUIWYGETHVVPJ-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C[N@H+](CCC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)CC(C)(C)C#N ZINC001194598545 1052175160 /nfs/dbraw/zinc/17/51/60/1052175160.db2.gz CENWJQXTVLRMMX-ALOPSCKCSA-N 1 0 349.519 4.036 20 30 EIEDRO N#CCc1ccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000184746300 1052178331 /nfs/dbraw/zinc/17/83/31/1052178331.db2.gz KHKDABXPKPIRDP-UHFFFAOYSA-N 1 0 339.870 4.483 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCC=CO2)cc1 ZINC000774845026 1052201111 /nfs/dbraw/zinc/20/11/11/1052201111.db2.gz HAZBRBQEMFVHEU-NRFANRHFSA-N 1 0 336.410 4.392 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H](C)C1CCCCC1 ZINC000185512647 1052620503 /nfs/dbraw/zinc/62/05/03/1052620503.db2.gz HXQGMFQJBIIUHJ-KGLIPLIRSA-N 1 0 333.501 4.143 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1OC ZINC000623512588 1052667368 /nfs/dbraw/zinc/66/73/68/1052667368.db2.gz NOPZYBYAPNFYKK-LBPRGKRZSA-N 1 0 345.817 4.438 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2cnc(C)cc2C)cc1OC ZINC000623542446 1052677006 /nfs/dbraw/zinc/67/70/06/1052677006.db2.gz AUXHGTZJVYSTJI-UHFFFAOYSA-N 1 0 346.858 4.215 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@]2(C)CC2(F)F)cc1OC ZINC000623570301 1052682548 /nfs/dbraw/zinc/68/25/48/1052682548.db2.gz OGSIGMFZNKHXPP-OAHLLOKOSA-N 1 0 331.790 4.048 20 30 EIEDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763961157 1052683513 /nfs/dbraw/zinc/68/35/13/1052683513.db2.gz CGZMKHVAPQAYNJ-REWPJTCUSA-N 1 0 348.490 4.280 20 30 EIEDRO CCCCN(CCC#N)Cc1cc(C)cc(Br)c1OC ZINC001238323984 1052686706 /nfs/dbraw/zinc/68/67/06/1052686706.db2.gz OKHZNECNSAOYTD-UHFFFAOYSA-N 1 0 339.277 4.282 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2ccc(CO)o2)C(C)(C)C)cc1 ZINC000179722766 1052750533 /nfs/dbraw/zinc/75/05/33/1052750533.db2.gz DUUFRULASHJQMB-UHFFFAOYSA-N 1 0 329.440 4.137 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000180039883 1052775042 /nfs/dbraw/zinc/77/50/42/1052775042.db2.gz ZXNGFRNNCVUYDE-KRWDZBQOSA-N 1 0 330.378 4.200 20 30 EIEDRO N#Cc1cccc(COc2ccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000272913983 1052786085 /nfs/dbraw/zinc/78/60/85/1052786085.db2.gz RXZNMFAWDNMTRH-RTWAWAEBSA-N 1 0 347.462 4.176 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccccc1Oc1ccccc1Cl ZINC000764014426 1052895401 /nfs/dbraw/zinc/89/54/01/1052895401.db2.gz RHNDMIGASUVMPH-UHFFFAOYSA-N 1 0 330.815 4.189 20 30 EIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)c1 ZINC000182530294 1052938560 /nfs/dbraw/zinc/93/85/60/1052938560.db2.gz BBVQSQRWRPJPSP-AWEZNQCLSA-N 1 0 326.827 4.001 20 30 EIEDRO C=C(C)COc1cc(C[N@H+](C)C[C@H](C)c2nccs2)ccc1OC ZINC000183256044 1052968100 /nfs/dbraw/zinc/96/81/00/1052968100.db2.gz PDFZTIUCYCYACW-HNNXBMFYSA-N 1 0 346.496 4.342 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184351270 1052998690 /nfs/dbraw/zinc/99/86/90/1052998690.db2.gz LDHBJFNCZMJJAV-WBMJQRKESA-N 1 0 334.460 4.235 20 30 EIEDRO C=C(CC)C[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC001194816602 1053112437 /nfs/dbraw/zinc/11/24/37/1053112437.db2.gz AWDDSWJYJNJXIJ-OAHLLOKOSA-N 1 0 335.797 4.074 20 30 EIEDRO Cc1cc(F)ccc1C[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000850351001 1053122737 /nfs/dbraw/zinc/12/27/37/1053122737.db2.gz XBAGRGCCNBTAFR-HOTGVXAUSA-N 1 0 326.415 4.146 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000764526986 1053158746 /nfs/dbraw/zinc/15/87/46/1053158746.db2.gz LXPYTNIMCWMFLO-AWEZNQCLSA-N 1 0 345.826 4.397 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850412166 1053181189 /nfs/dbraw/zinc/18/11/89/1053181189.db2.gz BCOMJHHFVQKYIO-IRXDYDNUSA-N 1 0 334.872 4.121 20 30 EIEDRO CC(C)(C)OC1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000864053278 1053199076 /nfs/dbraw/zinc/19/90/76/1053199076.db2.gz HXGFEKOTWIPPLO-UHFFFAOYSA-N 1 0 326.484 4.458 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cncc(Br)c1)c1ccncc1 ZINC000850435408 1053210113 /nfs/dbraw/zinc/21/01/13/1053210113.db2.gz NLQFDEGVYAHQKK-MLGOLLRUSA-N 1 0 332.245 4.207 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000794665350 1053240383 /nfs/dbraw/zinc/24/03/83/1053240383.db2.gz XGNYCEBVAKYAST-BLLLJJGKSA-N 1 0 343.389 4.292 20 30 EIEDRO C#CCOc1ccc([C@H](C)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000764746706 1053290362 /nfs/dbraw/zinc/29/03/62/1053290362.db2.gz QNXWWWLTYOZUAP-CVDCTZTESA-N 1 0 348.490 4.186 20 30 EIEDRO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000383104427 1053294846 /nfs/dbraw/zinc/29/48/46/1053294846.db2.gz FVHLBNNLQLCURK-IBGZPJMESA-N 1 0 327.516 4.303 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000850542698 1053304058 /nfs/dbraw/zinc/30/40/58/1053304058.db2.gz UGNQEZZLYAKHEW-NYVOZVTQSA-N 1 0 331.463 4.332 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC2SCCS2)CC1 ZINC000850571086 1053325478 /nfs/dbraw/zinc/32/54/78/1053325478.db2.gz QGAVTJBGSYBYDT-UHFFFAOYSA-N 1 0 332.538 4.176 20 30 EIEDRO N#CCC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000775654975 1053393264 /nfs/dbraw/zinc/39/32/64/1053393264.db2.gz KLNFFAVDZRCUAT-ZWKOTPCHSA-N 1 0 332.806 4.147 20 30 EIEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN(CC)CC2CC2)c1=S ZINC000764991673 1053404296 /nfs/dbraw/zinc/40/42/96/1053404296.db2.gz UVRSBHDABWCAFJ-UHFFFAOYSA-N 1 0 342.512 4.265 20 30 EIEDRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000765016529 1053420772 /nfs/dbraw/zinc/42/07/72/1053420772.db2.gz VUWZCBFVMNQPMK-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO CCC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H](O)c1ccccc1 ZINC000794829732 1053441428 /nfs/dbraw/zinc/44/14/28/1053441428.db2.gz FXDKFHFRTFOYAI-FDFHNCONSA-N 1 0 334.463 4.428 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000865406751 1053494701 /nfs/dbraw/zinc/49/47/01/1053494701.db2.gz GTBRAPNPUXSIHP-QGZVFWFLSA-N 1 0 341.455 4.090 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000765330800 1053504713 /nfs/dbraw/zinc/50/47/13/1053504713.db2.gz KIMOABWTKWFZRU-CVEARBPZSA-N 1 0 330.435 4.464 20 30 EIEDRO C[C@H](c1cccc2ccccc21)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001195877115 1053513048 /nfs/dbraw/zinc/51/30/48/1053513048.db2.gz RBWQGHVRRRUACG-ZHRRBRCNSA-N 1 0 330.431 4.438 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865545563 1053544377 /nfs/dbraw/zinc/54/43/77/1053544377.db2.gz CLSSQAMIRDIZQY-KRWDZBQOSA-N 1 0 332.325 4.076 20 30 EIEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300426 1053565512 /nfs/dbraw/zinc/56/55/12/1053565512.db2.gz HXDSBDRTZVTOQL-SJLPKXTDSA-N 1 0 349.519 4.038 20 30 EIEDRO C[C@H](CCC#N)[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852296629 1053566507 /nfs/dbraw/zinc/56/65/07/1053566507.db2.gz ORBZSNMFPYWHLR-SJLPKXTDSA-N 1 0 349.519 4.038 20 30 EIEDRO C=CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H](C)COC ZINC001196048024 1053570918 /nfs/dbraw/zinc/57/09/18/1053570918.db2.gz LMFZDHRJBIDWDE-FQEVSTJZSA-N 1 0 348.490 4.409 20 30 EIEDRO CC(C)([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000852353869 1053573570 /nfs/dbraw/zinc/57/35/70/1053573570.db2.gz QDPNDHVKTALMEF-QGZVFWFLSA-N 1 0 348.368 4.135 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2cscc2Cl)CC1 ZINC000865696099 1053575124 /nfs/dbraw/zinc/57/51/24/1053575124.db2.gz VMJHUJGSKPGMDB-UHFFFAOYSA-N 1 0 331.872 4.032 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852594839 1053593012 /nfs/dbraw/zinc/59/30/12/1053593012.db2.gz DGCMFKIMNLTCDM-MAUKXSAKSA-N 1 0 348.874 4.023 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865819786 1053599986 /nfs/dbraw/zinc/59/99/86/1053599986.db2.gz ULZFMUMPAHTDLR-XRTORIHISA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CCOCCC#N)C1CC1 ZINC000338952881 1053610402 /nfs/dbraw/zinc/61/04/02/1053610402.db2.gz GZUPQJCSQIOGKS-ZDUSSCGKSA-N 1 0 326.362 4.161 20 30 EIEDRO N#Cc1ccc2c(C[NH+]3CCC(Cc4ccccc4)CC3)c[nH]c2c1 ZINC001142911939 1053662240 /nfs/dbraw/zinc/66/22/40/1053662240.db2.gz PCMLDVFLLKETMS-UHFFFAOYSA-N 1 0 329.447 4.494 20 30 EIEDRO N#Cc1ccc2c(C[NH+]3CCC(Oc4ccccc4)CC3)c[nH]c2c1 ZINC001142911950 1053663815 /nfs/dbraw/zinc/66/38/15/1053663815.db2.gz PMSINWJZCBNEEO-UHFFFAOYSA-N 1 0 331.419 4.083 20 30 EIEDRO Cc1cc(Cl)ccc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001196421163 1053669702 /nfs/dbraw/zinc/66/97/02/1053669702.db2.gz WLMMLYBJQHQTLI-UHFFFAOYSA-N 1 0 325.843 4.295 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2Cn1nc(-c2cccc(C)c2)n(C)c1=S ZINC000853598515 1053688580 /nfs/dbraw/zinc/68/85/80/1053688580.db2.gz BWVHDRZYGSTHCN-CALCHBBNSA-N 1 0 340.496 4.067 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2Cn1nc(-c2ccc(C)cc2)n(C)c1=S ZINC000853598509 1053689701 /nfs/dbraw/zinc/68/97/01/1053689701.db2.gz BSRSIZKYOSJJJO-CALCHBBNSA-N 1 0 340.496 4.067 20 30 EIEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1C)c1ccc(F)c(F)c1 ZINC000775726241 1053695031 /nfs/dbraw/zinc/69/50/31/1053695031.db2.gz ZSFDYCUQMGMZBY-RTBURBONSA-N 1 0 335.369 4.353 20 30 EIEDRO COc1ccc([C@@H]2CCN(Cc3ccc(Cl)cc3C#N)C2)cc1F ZINC001196615742 1053712611 /nfs/dbraw/zinc/71/26/11/1053712611.db2.gz XTJZNJDVUUDDML-OAHLLOKOSA-N 1 0 344.817 4.349 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000866448438 1053732685 /nfs/dbraw/zinc/73/26/85/1053732685.db2.gz FTUUXGRSAGUQEY-HXUWFJFHSA-N 1 0 347.462 4.031 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000866448445 1053732744 /nfs/dbraw/zinc/73/27/44/1053732744.db2.gz FZGMVHIPASMSEH-NRFANRHFSA-N 1 0 346.478 4.064 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccnc1 ZINC000866448356 1053734012 /nfs/dbraw/zinc/73/40/12/1053734012.db2.gz DRERHHQDEASEOR-FQEVSTJZSA-N 1 0 334.467 4.053 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cc2cnccc2o1 ZINC000866449502 1053734167 /nfs/dbraw/zinc/73/41/67/1053734167.db2.gz WSKUOOASGIMRQO-HNNXBMFYSA-N 1 0 346.434 4.019 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1noc2ccc(F)cc21 ZINC000866511396 1053762051 /nfs/dbraw/zinc/76/20/51/1053762051.db2.gz PHYQIEUKDNOHGC-GOSISDBHSA-N 1 0 335.382 4.396 20 30 EIEDRO C[C@H](C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCC1 ZINC001196810102 1053762914 /nfs/dbraw/zinc/76/29/14/1053762914.db2.gz ZXYRKQAGQFQJSU-CQSZACIVSA-N 1 0 347.890 4.298 20 30 EIEDRO C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000776734715 1053810479 /nfs/dbraw/zinc/81/04/79/1053810479.db2.gz LRPQAZNEMLIBDD-INIZCTEOSA-N 1 0 343.490 4.393 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000866632901 1053811722 /nfs/dbraw/zinc/81/17/22/1053811722.db2.gz PVODJXIDYXUBCD-YOEHRIQHSA-N 1 0 331.847 4.200 20 30 EIEDRO CC1(C)[C@@H](c2cccc(C(F)(F)F)c2)CC[N@@H+]1CCOCCC#N ZINC001197051935 1053824912 /nfs/dbraw/zinc/82/49/12/1053824912.db2.gz OLKXDKPWDZOAPY-MRXNPFEDSA-N 1 0 340.389 4.204 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776747082 1053825284 /nfs/dbraw/zinc/82/52/84/1053825284.db2.gz XJGAAYOMFPGXFH-RDTXWAMCSA-N 1 0 337.398 4.229 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)ccc1F ZINC000121779002 1053848277 /nfs/dbraw/zinc/84/82/77/1053848277.db2.gz LLSPOUMBOVUFHF-IEBWSBKVSA-N 1 0 342.414 4.159 20 30 EIEDRO COc1ccccc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC001197212123 1053853909 /nfs/dbraw/zinc/85/39/09/1053853909.db2.gz HDADGJFMRKBWJZ-MRXNPFEDSA-N 1 0 338.426 4.476 20 30 EIEDRO CC[C@@]1(CCc2ccccc2)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC001197357767 1053881660 /nfs/dbraw/zinc/88/16/60/1053881660.db2.gz DJFJMTIHYRCDLH-IBGZPJMESA-N 1 0 325.481 4.392 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cc(C#N)ccc4F)C3)nc2c1 ZINC000130774006 1053925802 /nfs/dbraw/zinc/92/58/02/1053925802.db2.gz QGRQQELHSCRNEG-INIZCTEOSA-N 1 0 348.425 4.262 20 30 EIEDRO N#CCc1cc2ccccc2c(N2C[C@H](CC[NH3+])c3ccccc32)c1 ZINC001168554930 1053929646 /nfs/dbraw/zinc/92/96/46/1053929646.db2.gz HEQRHJPFGWGBPA-SFHVURJKSA-N 1 0 327.431 4.490 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000113952593 1054027989 /nfs/dbraw/zinc/02/79/89/1054027989.db2.gz GBKMPUOECARZIJ-XJKSGUPXSA-N 1 0 330.378 4.497 20 30 EIEDRO C#CCC1([NH2+]Cc2nc(C)c(Br)s2)CCCCC1 ZINC001198085443 1054069004 /nfs/dbraw/zinc/06/90/04/1054069004.db2.gz UKJXPSRTBYSRNC-UHFFFAOYSA-N 1 0 327.291 4.030 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccnn1C1CCC1 ZINC000925490262 1054075144 /nfs/dbraw/zinc/07/51/44/1054075144.db2.gz RVFNYSXIIOZHGE-CQSZACIVSA-N 1 0 347.384 4.329 20 30 EIEDRO Cc1c(C#N)cccc1C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000509493892 1054092999 /nfs/dbraw/zinc/09/29/99/1054092999.db2.gz JMLJZAIURQPLJF-UHFFFAOYSA-N 1 0 347.462 4.481 20 30 EIEDRO N#Cc1cc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)cs1 ZINC000921632578 1054206861 /nfs/dbraw/zinc/20/68/61/1054206861.db2.gz HHGCFAQIKZSPCJ-UHFFFAOYSA-N 1 0 327.453 4.016 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CO[C@H]2CCC[C@@H](C)C2)c1 ZINC001626055567 1054213884 /nfs/dbraw/zinc/21/38/84/1054213884.db2.gz IRSDCRTWHWNCJA-UZLBHIALSA-N 1 0 344.499 4.228 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]CCSCc1ccc(C)cc1 ZINC001198900116 1054294304 /nfs/dbraw/zinc/29/43/04/1054294304.db2.gz FZGHHZLUMNUPOR-UHFFFAOYSA-N 1 0 325.477 4.030 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000872129858 1054404015 /nfs/dbraw/zinc/40/40/15/1054404015.db2.gz FNDNKFZRNMYBAF-QWHCGFSZSA-N 1 0 349.356 4.415 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[C@@H](SC)C2)cc1OC ZINC000858147427 1054425269 /nfs/dbraw/zinc/42/52/69/1054425269.db2.gz OSTRCPQEMKPUKI-ZIAGYGMSSA-N 1 0 341.904 4.287 20 30 EIEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776014460 1054439118 /nfs/dbraw/zinc/43/91/18/1054439118.db2.gz RTFXJXFOCHCEII-WMLDXEAASA-N 1 0 325.374 4.252 20 30 EIEDRO C[NH+](C)C1(C)CCC(N=Nc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000872352392 1054439853 /nfs/dbraw/zinc/43/98/53/1054439853.db2.gz PQXVWVZAWKLJOP-UHFFFAOYSA-N 1 0 347.850 4.052 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC001168579254 1054442004 /nfs/dbraw/zinc/44/20/04/1054442004.db2.gz HXMZORNUOJRHGB-UHFFFAOYSA-N 1 0 337.341 4.255 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000858330548 1054466993 /nfs/dbraw/zinc/46/69/93/1054466993.db2.gz XMINTAOXXWNBTJ-UHFFFAOYSA-N 1 0 333.353 4.093 20 30 EIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000858390023 1054478901 /nfs/dbraw/zinc/47/89/01/1054478901.db2.gz SMOCDMNWHMGXLU-HQJQHLMTSA-N 1 0 333.247 4.072 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000873156301 1054494965 /nfs/dbraw/zinc/49/49/65/1054494965.db2.gz UEZDQOYEBHDTKU-LLVKDONJSA-N 1 0 340.370 4.348 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)cc1 ZINC000873186530 1054506854 /nfs/dbraw/zinc/50/68/54/1054506854.db2.gz QIPNXNDKKFSELJ-OLZOCXBDSA-N 1 0 349.356 4.242 20 30 EIEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](CC(C)C)CC(C)(C)C ZINC000124551760 1054543132 /nfs/dbraw/zinc/54/31/32/1054543132.db2.gz XZZPGXRURLLPPW-UHFFFAOYSA-N 1 0 339.487 4.087 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000124604516 1054586016 /nfs/dbraw/zinc/58/60/16/1054586016.db2.gz MOQCFZZPNAFKJF-QHCPKHFHSA-N 1 0 349.474 4.034 20 30 EIEDRO Cc1nc(C(C)(C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)sc1C ZINC000124741187 1054603483 /nfs/dbraw/zinc/60/34/83/1054603483.db2.gz QYKLLEQJYVCPIZ-GFCCVEGCSA-N 1 0 329.469 4.076 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2nc(C)c(C)s2)cc1Cl ZINC001200999522 1054623587 /nfs/dbraw/zinc/62/35/87/1054623587.db2.gz XASHIDVGRPLENX-UHFFFAOYSA-N 1 0 336.888 4.310 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000552969701 1054672488 /nfs/dbraw/zinc/67/24/88/1054672488.db2.gz VPMIHMVWXHOOIN-LHSJRXKWSA-N 1 0 345.446 4.171 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)CCOCCC#N ZINC000339018867 1054686569 /nfs/dbraw/zinc/68/65/69/1054686569.db2.gz JLJKHZPMXSENJD-HNNXBMFYSA-N 1 0 329.469 4.042 20 30 EIEDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C1(C)C ZINC000776162139 1054771780 /nfs/dbraw/zinc/77/17/80/1054771780.db2.gz BZJHKYJWGUZQJC-ATZDWAIDSA-N 1 0 330.472 4.223 20 30 EIEDRO CSc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000776162257 1054772135 /nfs/dbraw/zinc/77/21/35/1054772135.db2.gz DOSMDEKRPNMROZ-ZDUSSCGKSA-N 1 0 330.428 4.301 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000776162145 1054772720 /nfs/dbraw/zinc/77/27/20/1054772720.db2.gz BZMSJZOFGILRGD-QRWLVFNGSA-N 1 0 338.476 4.270 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(O[C@H](C#N)CC)c2)C12CCCC2 ZINC000776165509 1054792379 /nfs/dbraw/zinc/79/23/79/1054792379.db2.gz RSIOYFHMKIRABV-DFQSSKMNSA-N 1 0 342.483 4.195 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000776167826 1054797751 /nfs/dbraw/zinc/79/77/51/1054797751.db2.gz HMQOYJWEOHEISH-OAVHHTNSSA-N 1 0 332.806 4.123 20 30 EIEDRO C[C@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC001201449779 1054811454 /nfs/dbraw/zinc/81/14/54/1054811454.db2.gz KOUQPGZSDPPHED-FLODPWGTSA-N 1 0 327.472 4.202 20 30 EIEDRO C=CCOC(=O)N1CCC2(C[NH+](C[C@@H](C)CCC=C(C)C)C2)CC1 ZINC001201487676 1054816956 /nfs/dbraw/zinc/81/69/56/1054816956.db2.gz VFOCZCJZGUHNSU-SFHVURJKSA-N 1 0 334.504 4.089 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(F)cc(OC)c2)cc1Cl ZINC001201501306 1054821633 /nfs/dbraw/zinc/82/16/33/1054821633.db2.gz FZSOXJSBDSLECH-UHFFFAOYSA-N 1 0 335.806 4.342 20 30 EIEDRO COc1cc(C#N)cc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001201483331 1054833085 /nfs/dbraw/zinc/83/30/85/1054833085.db2.gz VTAMYAQPNIUJQK-RTWAWAEBSA-N 1 0 345.446 4.300 20 30 EIEDRO C[N@@H+]1CCc2ccc(Nc3ccc(C(F)(F)F)cc3C#N)cc2C1 ZINC001201699078 1054880650 /nfs/dbraw/zinc/88/06/50/1054880650.db2.gz IBAIUXBJYVPXBY-UHFFFAOYSA-N 1 0 331.341 4.309 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001201798229 1054909367 /nfs/dbraw/zinc/90/93/67/1054909367.db2.gz RPLOFZSNLMDGDD-MRXNPFEDSA-N 1 0 332.463 4.216 20 30 EIEDRO CCCCCCC[NH+]1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001201804076 1054909635 /nfs/dbraw/zinc/90/96/35/1054909635.db2.gz AAXWVRWYZVXWAP-UHFFFAOYSA-N 1 0 337.529 4.240 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001201813596 1054911346 /nfs/dbraw/zinc/91/13/46/1054911346.db2.gz GWLLNNHUWHZQNS-SFHVURJKSA-N 1 0 331.504 4.176 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001201815147 1054914840 /nfs/dbraw/zinc/91/48/40/1054914840.db2.gz XMPBVZBBWFYJDT-FQEVSTJZSA-N 1 0 330.520 4.129 20 30 EIEDRO CCCCCCC[N@@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@@H]21 ZINC001201776868 1054917276 /nfs/dbraw/zinc/91/72/76/1054917276.db2.gz OJNQMVDOPWUIMN-QHAWAJNXSA-N 1 0 346.515 4.048 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001201786075 1054917894 /nfs/dbraw/zinc/91/78/94/1054917894.db2.gz GLFHIXPIBCBZNF-KRWDZBQOSA-N 1 0 334.463 4.219 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001201839724 1054932161 /nfs/dbraw/zinc/93/21/61/1054932161.db2.gz QERFSQXQWMXYOA-SFTDATJTSA-N 1 0 346.515 4.444 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CCN(CC(F)(F)F)C2=O)CC1 ZINC001201839803 1054932456 /nfs/dbraw/zinc/93/24/56/1054932456.db2.gz JRFSYNBVBKMDOX-UHFFFAOYSA-N 1 0 348.453 4.224 20 30 EIEDRO CCCCCCCC[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC001201840238 1054933463 /nfs/dbraw/zinc/93/34/63/1054933463.db2.gz QGDQTAHMDYEDLG-UHFFFAOYSA-N 1 0 334.479 4.380 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@H](OCC)[C@@H]1Cc1cnn(C)c1 ZINC001201846808 1054934401 /nfs/dbraw/zinc/93/44/01/1054934401.db2.gz LYQXOUZTHNONHL-PMACEKPBSA-N 1 0 335.536 4.193 20 30 EIEDRO CCCCCCCCC[NH+]1CCC2(CN(c3cccnc3)C2=O)CC1 ZINC001201846154 1054934977 /nfs/dbraw/zinc/93/49/77/1054934977.db2.gz DITNZJQEMTZLMV-UHFFFAOYSA-N 1 0 343.515 4.261 20 30 EIEDRO CCCCCCCCCC[N@@H+]1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001201874842 1054940646 /nfs/dbraw/zinc/94/06/46/1054940646.db2.gz IUINAXKBKFPWHU-GBESFXJTSA-N 1 0 349.519 4.151 20 30 EIEDRO CCCCCCCCCC[N@@H+]1CCCn2nnc(COCC)c2C1 ZINC001201875278 1054941181 /nfs/dbraw/zinc/94/11/81/1054941181.db2.gz TUVZCTFPBCCKFX-UHFFFAOYSA-N 1 0 336.524 4.161 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(CSC(C)C)c1C ZINC000876678369 1054945325 /nfs/dbraw/zinc/94/53/25/1054945325.db2.gz LJUQDISBCSNGNU-CQSZACIVSA-N 1 0 326.893 4.045 20 30 EIEDRO CC(C)=CCC[C@H](C)CC[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001201980703 1054956448 /nfs/dbraw/zinc/95/64/48/1054956448.db2.gz FOCZWYLGXMAIHB-IBGZPJMESA-N 1 0 340.515 4.238 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000876793200 1054959563 /nfs/dbraw/zinc/95/95/63/1054959563.db2.gz IWHIPGZQHJLPTI-WMZOPIPTSA-N 1 0 328.481 4.224 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc(CC[NH2+]C2CCC(C#N)CC2)cc1 ZINC000876875082 1054975680 /nfs/dbraw/zinc/97/56/80/1054975680.db2.gz PQMJBXFVTOXRCE-UHFFFAOYSA-N 1 0 343.471 4.248 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2cc(C#N)cnc2Cl)C(C)C)cc1 ZINC000876901218 1054980017 /nfs/dbraw/zinc/98/00/17/1054980017.db2.gz BKDUAWZSSHJENG-QGZVFWFLSA-N 1 0 329.831 4.102 20 30 EIEDRO CCCCCCCCCC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877018385 1054999817 /nfs/dbraw/zinc/99/98/17/1054999817.db2.gz VRTQZXRQBINEOZ-GJZGRUSLSA-N 1 0 336.442 4.113 20 30 EIEDRO CCCCCCCCCC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000877018386 1055000613 /nfs/dbraw/zinc/00/06/13/1055000613.db2.gz VRTQZXRQBINEOZ-HUUCEWRRSA-N 1 0 336.442 4.113 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)cc1 ZINC001137120618 1055060849 /nfs/dbraw/zinc/06/08/49/1055060849.db2.gz XACJPBKXIHFXAJ-INIZCTEOSA-N 1 0 326.827 4.232 20 30 EIEDRO C[C@@H]1CC[N@H+](CCOCCC#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000339045549 1055113156 /nfs/dbraw/zinc/11/31/56/1055113156.db2.gz UVHSTENFIIFPDQ-CZUORRHYSA-N 1 0 326.362 4.019 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000877903635 1055148895 /nfs/dbraw/zinc/14/88/95/1055148895.db2.gz ZILHSWGVTIEIMZ-AZUAARDMSA-N 1 0 338.476 4.326 20 30 EIEDRO C#CCCCCC[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000877931521 1055156847 /nfs/dbraw/zinc/15/68/47/1055156847.db2.gz BMNBWRDHCQYMOW-UHFFFAOYSA-N 1 0 340.389 4.159 20 30 EIEDRO CC(=O)[C@@](C#N)(CCN(C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000877942061 1055158675 /nfs/dbraw/zinc/15/86/75/1055158675.db2.gz URFSQDLUVLEHRE-FQEVSTJZSA-N 1 0 340.854 4.212 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@H+](Cc1cccs1)C(C)C)c1ccccc1 ZINC000877993927 1055171677 /nfs/dbraw/zinc/17/16/77/1055171677.db2.gz HJDRDUXMWSZJGJ-FQEVSTJZSA-N 1 0 340.492 4.399 20 30 EIEDRO CCc1oc2ccccc2c1C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000126908310 1055187851 /nfs/dbraw/zinc/18/78/51/1055187851.db2.gz BSDYCCKEHNHDFM-LJQANCHMSA-N 1 0 334.419 4.032 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccccc1 ZINC000878106010 1055189539 /nfs/dbraw/zinc/18/95/39/1055189539.db2.gz JUCPCFWDSAOUFF-VXKWHMMOSA-N 1 0 336.479 4.249 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000878120921 1055191598 /nfs/dbraw/zinc/19/15/98/1055191598.db2.gz PGLSVHYKFCWZOH-XXBNENTESA-N 1 0 348.490 4.299 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C)c1ccccc1 ZINC000878176979 1055200345 /nfs/dbraw/zinc/20/03/45/1055200345.db2.gz QPFKZACNNVJTFO-SXSPYAJSSA-N 1 0 346.474 4.305 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000091069129 1055514967 /nfs/dbraw/zinc/51/49/67/1055514967.db2.gz CUILOTRITDZFNM-HOTGVXAUSA-N 1 0 336.819 4.032 20 30 EIEDRO C=C(C[NH2+][C@@H]1CC[C@H](C(=O)OCC)c2ccccc21)c1ccccc1 ZINC000338671772 1055515477 /nfs/dbraw/zinc/51/54/77/1055515477.db2.gz GXBDGXUNYPVBKT-LEWJYISDSA-N 1 0 335.447 4.471 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921671948 1055533581 /nfs/dbraw/zinc/53/35/81/1055533581.db2.gz SEGUTYKIFMKTKQ-ZDUSSCGKSA-N 1 0 332.494 4.209 20 30 EIEDRO C[C@@](O)(C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 ZINC000765820384 1055576654 /nfs/dbraw/zinc/57/66/54/1055576654.db2.gz WWXLCKOSQKXMKU-WOJBJXKFSA-N 1 0 340.854 4.086 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2Cc2ccccc2)CC1 ZINC000106037284 1055626044 /nfs/dbraw/zinc/62/60/44/1055626044.db2.gz BIXGSWAVVNLDNH-UHFFFAOYSA-N 1 0 348.490 4.048 20 30 EIEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000542692632 1055833777 /nfs/dbraw/zinc/83/37/77/1055833777.db2.gz DCSQVSWLGKINIA-SFHVURJKSA-N 1 0 346.478 4.438 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(C#N)c(F)c1 ZINC000273454518 1055844543 /nfs/dbraw/zinc/84/45/43/1055844543.db2.gz PIOYIJRERPIGKY-LLVKDONJSA-N 1 0 330.790 4.136 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000301106723 1055897325 /nfs/dbraw/zinc/89/73/25/1055897325.db2.gz RFYURMOIYRSYRZ-INIZCTEOSA-N 1 0 349.356 4.419 20 30 EIEDRO Cc1ccccc1C[NH+]1CCC(Nc2c(F)cc(C#N)cc2F)CC1 ZINC000301131527 1055900424 /nfs/dbraw/zinc/90/04/24/1055900424.db2.gz ZCEGGMABQXIHBF-UHFFFAOYSA-N 1 0 341.405 4.221 20 30 EIEDRO N#Cc1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000301159160 1055901744 /nfs/dbraw/zinc/90/17/44/1055901744.db2.gz SMTAIHUEWKLOGI-OAHLLOKOSA-N 1 0 329.444 4.083 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1c(C#N)cnc2ccccc21)c1ccco1 ZINC000301332944 1055921746 /nfs/dbraw/zinc/92/17/46/1055921746.db2.gz BWSPHRFDHRSDAY-GOSISDBHSA-N 1 0 334.423 4.194 20 30 EIEDRO C[N@@H+]1CCC[C@H](CNc2ccc(F)cc2C#N)[C@H]1c1cccs1 ZINC000301405268 1055932073 /nfs/dbraw/zinc/93/20/73/1055932073.db2.gz GDIMMULOIDHUCX-ACJLOTCBSA-N 1 0 329.444 4.254 20 30 EIEDRO C[C@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000301510646 1055944228 /nfs/dbraw/zinc/94/42/28/1055944228.db2.gz BHNKUKHPGIYWCU-GOEBONIOSA-N 1 0 340.858 4.072 20 30 EIEDRO N#Cc1ccc2nc(NC3CCC([NH+]4CCCCC4)CC3)ccc2c1 ZINC000301986534 1056005452 /nfs/dbraw/zinc/00/54/52/1056005452.db2.gz UUULNSUWTUNUJC-UHFFFAOYSA-N 1 0 334.467 4.315 20 30 EIEDRO Cc1ccc([C@H](CNc2ccc3cc(C#N)ccc3n2)[NH+]2CCCC2)o1 ZINC000301988215 1056005496 /nfs/dbraw/zinc/00/54/96/1056005496.db2.gz WATQMRKEJFAOJZ-IBGZPJMESA-N 1 0 346.434 4.257 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000302061527 1056013220 /nfs/dbraw/zinc/01/32/20/1056013220.db2.gz RHUWWILXFWBYEY-ZWKOTPCHSA-N 1 0 348.494 4.197 20 30 EIEDRO CC(=O)c1ccc(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000302134387 1056021075 /nfs/dbraw/zinc/02/10/75/1056021075.db2.gz ZJTYQQKSSAOKAZ-IERDGZPVSA-N 1 0 347.462 4.226 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)o1 ZINC000554322350 1056055781 /nfs/dbraw/zinc/05/57/81/1056055781.db2.gz CFYIPJUFMIJYLX-UHFFFAOYSA-N 1 0 330.387 4.043 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccnc(N2CCCCCC2)c1 ZINC000921705616 1056060899 /nfs/dbraw/zinc/06/08/99/1056060899.db2.gz JNMNXELELNBGNI-UHFFFAOYSA-N 1 0 348.494 4.240 20 30 EIEDRO C[N@@H+]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000302840026 1056077128 /nfs/dbraw/zinc/07/71/28/1056077128.db2.gz ZVFZHTJZXFPCDF-ZWKOTPCHSA-N 1 0 347.796 4.347 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2c(C#N)cccc2C#N)cc1 ZINC000302855308 1056079614 /nfs/dbraw/zinc/07/96/14/1056079614.db2.gz ROVIJJBFAXEKML-QGZVFWFLSA-N 1 0 344.462 4.416 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccc(C#N)cc1 ZINC000091436976 1056129859 /nfs/dbraw/zinc/12/98/59/1056129859.db2.gz JDJJJLWZAJKOJF-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000108852121 1056147135 /nfs/dbraw/zinc/14/71/35/1056147135.db2.gz QDJURXNHWTWCQA-IBGZPJMESA-N 1 0 339.414 4.013 20 30 EIEDRO C=CCSCC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000542826848 1056151441 /nfs/dbraw/zinc/15/14/41/1056151441.db2.gz XOGOJLHGPFCYDP-ZDUSSCGKSA-N 1 0 335.904 4.404 20 30 EIEDRO C=C(C)C[N@@H+](CC)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000057847826 1056383475 /nfs/dbraw/zinc/38/34/75/1056383475.db2.gz XVKLUGYLANMFCP-LBPRGKRZSA-N 1 0 329.271 4.069 20 30 EIEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000513281922 1056560306 /nfs/dbraw/zinc/56/03/06/1056560306.db2.gz CWMYYINCCCAGMF-UHFFFAOYSA-N 1 0 347.462 4.351 20 30 EIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCCOc1cccc(C#N)c1 ZINC001168685432 1056727818 /nfs/dbraw/zinc/72/78/18/1056727818.db2.gz JXCZEAXRZZIGDH-QGZVFWFLSA-N 1 0 338.451 4.465 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000111172546 1056763714 /nfs/dbraw/zinc/76/37/14/1056763714.db2.gz ADSNSACSSIKTID-UHFFFAOYSA-N 1 0 333.863 4.193 20 30 EIEDRO COc1ccc(C[NH2+]C(C)(C)Cc2ccccc2Cl)cc1C#N ZINC000742370364 1058595394 /nfs/dbraw/zinc/59/53/94/1058595394.db2.gz OCMFYYHBEUCAGZ-UHFFFAOYSA-N 1 0 328.843 4.331 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)cc1C#N ZINC000742369758 1058595826 /nfs/dbraw/zinc/59/58/26/1058595826.db2.gz QMSSXWRZHXZIOG-OAQYLSRUSA-N 1 0 335.451 4.373 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CSCc3ccccc32)cc1 ZINC000742725183 1058741148 /nfs/dbraw/zinc/74/11/48/1058741148.db2.gz IUTNXTIQNVIAHC-FQEVSTJZSA-N 1 0 337.492 4.114 20 30 EIEDRO CCO[C@@H]1C[C@@H](/[NH+]=C\c2ccc(N(CC)CC)cc2O)C12CCCC2 ZINC000743043800 1058848570 /nfs/dbraw/zinc/84/85/70/1058848570.db2.gz ADTWWYLHFFOTGY-ZMQDARQRSA-N 1 0 344.499 4.395 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc2ccccc2c1 ZINC000743492246 1059031454 /nfs/dbraw/zinc/03/14/54/1059031454.db2.gz RLESSXXXMBLCGG-HOTGVXAUSA-N 1 0 343.430 4.389 20 30 EIEDRO CC(=NNc1cccc(Cl)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000743525575 1059038561 /nfs/dbraw/zinc/03/85/61/1059038561.db2.gz HNIYZYWERGJGGF-UHFFFAOYSA-N 1 0 331.847 4.117 20 30 EIEDRO C#CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CCCCC1 ZINC000743689749 1059086269 /nfs/dbraw/zinc/08/62/69/1059086269.db2.gz JWEMKAHYEVUBJT-UHFFFAOYSA-N 1 0 338.495 4.081 20 30 EIEDRO CC[N@H+](C[C@H](O)c1cccc(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000743842653 1059136483 /nfs/dbraw/zinc/13/64/83/1059136483.db2.gz JJEXYQIWYULEND-LIRRHRJNSA-N 1 0 328.843 4.328 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743842793 1059174761 /nfs/dbraw/zinc/17/47/61/1059174761.db2.gz JMTOBYSHHMOZHY-LJQANCHMSA-N 1 0 328.843 4.156 20 30 EIEDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869124 1059184442 /nfs/dbraw/zinc/18/44/42/1059184442.db2.gz LSCYMGCTQGEDOK-CVEARBPZSA-N 1 0 338.904 4.348 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000746046860 1059982526 /nfs/dbraw/zinc/98/25/26/1059982526.db2.gz FCZGOVFFOXHYCW-KDOFPFPSSA-N 1 0 339.395 4.127 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746151765 1060047833 /nfs/dbraw/zinc/04/78/33/1060047833.db2.gz GFRBIKIJZVHZRH-UHFFFAOYSA-N 1 0 341.386 4.264 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCOc3ccc(OCC)cc32)c1 ZINC000187552327 1060123368 /nfs/dbraw/zinc/12/33/68/1060123368.db2.gz TVJMZTOFRUCEAA-FQEVSTJZSA-N 1 0 339.435 4.264 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cnn1-c1ccccc1 ZINC000766351210 1060296001 /nfs/dbraw/zinc/29/60/01/1060296001.db2.gz SJFZYWKZXFONJY-CVEARBPZSA-N 1 0 330.435 4.464 20 30 EIEDRO CN(C)/C=[NH+]/c1ccc(NCc2c(Cl)cncc2Cl)cc1C#N ZINC001169186960 1060679090 /nfs/dbraw/zinc/67/90/90/1060679090.db2.gz XEMGFIRJYDTZBX-LSHDLFTRSA-N 1 0 348.237 4.094 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@@]1(Cc1ccccc1)C(=O)OCC ZINC001169261976 1060710998 /nfs/dbraw/zinc/71/09/98/1060710998.db2.gz SPIJRDCREQRRAF-JOCHJYFZSA-N 1 0 341.495 4.211 20 30 EIEDRO C=CCCCC[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001169301822 1060761598 /nfs/dbraw/zinc/76/15/98/1060761598.db2.gz ZCLBRJPZKGWKBE-UHFFFAOYSA-N 1 0 336.520 4.456 20 30 EIEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C(C)(C)C)CC1 ZINC001169306616 1060764101 /nfs/dbraw/zinc/76/41/01/1060764101.db2.gz HXIFJJSPEGTEAT-BATSVXPKSA-N 1 0 347.547 4.064 20 30 EIEDRO C#C[C@H]([NH2+]Cc1cccc(SCc2ccccc2)c1)[C@H]1CCCO1 ZINC001169495909 1060834953 /nfs/dbraw/zinc/83/49/53/1060834953.db2.gz RXGFMGUJBFHSDJ-LEWJYISDSA-N 1 0 337.488 4.249 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2c(C#N)nccc2c1 ZINC001169689398 1060900927 /nfs/dbraw/zinc/90/09/27/1060900927.db2.gz DNPLCURNXNAXPU-IBGZPJMESA-N 1 0 328.419 4.347 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001169731655 1060934528 /nfs/dbraw/zinc/93/45/28/1060934528.db2.gz DQTQTMUILJVCQG-SFHVURJKSA-N 1 0 336.520 4.197 20 30 EIEDRO CCCCCCCCCC[N@H+](C)C1CCC(S(C)(=O)=O)CC1 ZINC001169896183 1061021673 /nfs/dbraw/zinc/02/16/73/1061021673.db2.gz CFIXULPOTRJPRO-UHFFFAOYSA-N 1 0 331.566 4.415 20 30 EIEDRO CC(CC[NH+](C)C)N=Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC000767378351 1061200854 /nfs/dbraw/zinc/20/08/54/1061200854.db2.gz FGLYFEVFEKGIAK-UHFFFAOYSA-N 1 0 330.379 4.055 20 30 EIEDRO N#Cc1cnc2ccccc2c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000097393464 219020797 /nfs/dbraw/zinc/02/07/97/219020797.db2.gz ZYDJGONPUOWIMS-UHFFFAOYSA-N 1 0 342.446 4.183 20 30 EIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)Cc2ccc(C#N)cc2)nc1 ZINC001165017905 721837416 /nfs/dbraw/zinc/83/74/16/721837416.db2.gz RNESYHFFANRCMG-HXUWFJFHSA-N 1 0 334.467 4.137 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000729681734 1032130438 /nfs/dbraw/zinc/13/04/38/1032130438.db2.gz JJPITOZJEXWPGZ-UHFFFAOYSA-N 1 0 332.447 4.395 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(F)cc1 ZINC000729681984 1032130481 /nfs/dbraw/zinc/13/04/81/1032130481.db2.gz QCTKNWZCPZVILV-INIZCTEOSA-N 1 0 325.431 4.069 20 30 EIEDRO CC1CCC(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000236781681 1032204278 /nfs/dbraw/zinc/20/42/78/1032204278.db2.gz OPUJCWUIKFXGSM-UHFFFAOYSA-N 1 0 336.483 4.380 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)cc1 ZINC000236943783 1032211365 /nfs/dbraw/zinc/21/13/65/1032211365.db2.gz XTGJTTJGPURXBR-IBGZPJMESA-N 1 0 339.435 4.264 20 30 EIEDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000237059471 1032217765 /nfs/dbraw/zinc/21/77/65/1032217765.db2.gz HAABKRSNTSRMNY-WMZOPIPTSA-N 1 0 330.472 4.436 20 30 EIEDRO CC[N@H+](Cc1cccc(-n2cccn2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508620485 1032222619 /nfs/dbraw/zinc/22/26/19/1032222619.db2.gz QKJBDYILBCWWLO-KRWDZBQOSA-N 1 0 330.435 4.327 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000237502037 1032230571 /nfs/dbraw/zinc/23/05/71/1032230571.db2.gz GAVDQDLSWVCENN-SCLBCKFNSA-N 1 0 342.826 4.244 20 30 EIEDRO CCC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)cc1F ZINC000282037419 1032230892 /nfs/dbraw/zinc/23/08/92/1032230892.db2.gz QPPXUSGPFGQGOX-GOSISDBHSA-N 1 0 336.426 4.496 20 30 EIEDRO COc1ccc(CNc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1C#N ZINC000532730817 1032282259 /nfs/dbraw/zinc/28/22/59/1032282259.db2.gz ISHBJAACTZSCJY-QGZVFWFLSA-N 1 0 349.478 4.411 20 30 EIEDRO CCN(Cc1nc(-c2ccccc2C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340638 1032283787 /nfs/dbraw/zinc/28/37/87/1032283787.db2.gz AYHZVJXCEFZEOV-MRXNPFEDSA-N 1 0 346.434 4.500 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+](CC2CC2)C(C)C)ccc1Cl ZINC000533036940 1032452375 /nfs/dbraw/zinc/45/23/75/1032452375.db2.gz XGRIFHUFUYDQPO-UHFFFAOYSA-N 1 0 347.890 4.016 20 30 EIEDRO C=CC[NH+]1CCC(N[C@@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000177912966 1032514023 /nfs/dbraw/zinc/51/40/23/1032514023.db2.gz BMBQNDGYEUZZSW-HNNXBMFYSA-N 1 0 327.497 4.111 20 30 EIEDRO CCC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC(C)C ZINC000533251069 1032565254 /nfs/dbraw/zinc/56/52/54/1032565254.db2.gz ANECTWMQKGSEKC-INIZCTEOSA-N 1 0 347.528 4.245 20 30 EIEDRO C=CCN(Cc1cnc(C(C)C)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000512379903 1032587358 /nfs/dbraw/zinc/58/73/58/1032587358.db2.gz RLZDEPVUWJQCHF-UHFFFAOYSA-N 1 0 331.441 4.363 20 30 EIEDRO C=C(C)COc1cccc(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000180456118 1032591990 /nfs/dbraw/zinc/59/19/90/1032591990.db2.gz DOFCRHUCXCYJRQ-UHFFFAOYSA-N 1 0 337.467 4.113 20 30 EIEDRO C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000500561027 1032654642 /nfs/dbraw/zinc/65/46/42/1032654642.db2.gz IXEWGZOTYDOZSW-QGZVFWFLSA-N 1 0 348.494 4.134 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000533361008 1032672656 /nfs/dbraw/zinc/67/26/56/1032672656.db2.gz NUQDVQKWHPAFHE-ONEGZZNKSA-N 1 0 326.440 4.234 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1Nc1onc(C(C)(C)C)c1C#N ZINC001211989623 1032708558 /nfs/dbraw/zinc/70/85/58/1032708558.db2.gz VBPRRWOOAXTSNG-UHFFFAOYSA-N 1 0 326.444 4.429 20 30 EIEDRO C=CC1CCN([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000533424264 1032749828 /nfs/dbraw/zinc/74/98/28/1032749828.db2.gz MRYRBSUPLRFOGW-LLVKDONJSA-N 1 0 327.255 4.218 20 30 EIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000533448802 1032762563 /nfs/dbraw/zinc/76/25/63/1032762563.db2.gz RDUVUXVHGQTOFJ-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000533463381 1032781424 /nfs/dbraw/zinc/78/14/24/1032781424.db2.gz ZYBCGTPJUZTZPL-UHFFFAOYSA-N 1 0 342.483 4.127 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429577266 1032786971 /nfs/dbraw/zinc/78/69/71/1032786971.db2.gz FDHWYZSGPBMAIK-OWCLPIDISA-N 1 0 345.512 4.140 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCOC(C)(C)C1 ZINC000577687192 1018891281 /nfs/dbraw/zinc/89/12/81/1018891281.db2.gz MRFDPSXLEGPKEQ-HNNXBMFYSA-N 1 0 340.389 4.357 20 30 EIEDRO C=CC[C@@H]1CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000890556012 1019082184 /nfs/dbraw/zinc/08/21/84/1019082184.db2.gz FVBXZCHNDHDYEG-OAQYLSRUSA-N 1 0 334.463 4.109 20 30 EIEDRO COc1cccc(C2([NH2+]CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000510079333 1019159980 /nfs/dbraw/zinc/15/99/80/1019159980.db2.gz PCZOOYHTDGZNBL-UHFFFAOYSA-N 1 0 345.364 4.344 20 30 EIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OCC(C)(C)C#N)c1 ZINC000784931026 1019208982 /nfs/dbraw/zinc/20/89/82/1019208982.db2.gz ZWHRDLGRGRPJEI-UHFFFAOYSA-N 1 0 336.435 4.025 20 30 EIEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000285701981 1019437167 /nfs/dbraw/zinc/43/71/67/1019437167.db2.gz OIPIWHVOTJUUED-DNVCBOLYSA-N 1 0 344.418 4.191 20 30 EIEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000274807096 1019681743 /nfs/dbraw/zinc/68/17/43/1019681743.db2.gz SEXKXDSUOYQVRV-ZIAGYGMSSA-N 1 0 333.501 4.186 20 30 EIEDRO C[N@H+](Cc1ccccc1NC(=O)c1ccc(C#N)o1)C1CCCCC1 ZINC000429827810 1032848457 /nfs/dbraw/zinc/84/84/57/1032848457.db2.gz MPPHOFYIIVHMOB-UHFFFAOYSA-N 1 0 337.423 4.168 20 30 EIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000339657955 1019781442 /nfs/dbraw/zinc/78/14/42/1019781442.db2.gz JHQBNFMGIBULTQ-GOSISDBHSA-N 1 0 348.425 4.020 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C#N)s1 ZINC000134783564 1019988245 /nfs/dbraw/zinc/98/82/45/1019988245.db2.gz NOHRHOSOKRRKJB-AWEZNQCLSA-N 1 0 343.471 4.074 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(C#N)s1 ZINC000134824090 1020026289 /nfs/dbraw/zinc/02/62/89/1020026289.db2.gz CRJDHOVYCNMGBU-OLZOCXBDSA-N 1 0 347.434 4.075 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC3(C2)CCCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000180199834 1020078575 /nfs/dbraw/zinc/07/85/75/1020078575.db2.gz KQXBNVKDWTWVFD-UHFFFAOYSA-N 1 0 334.467 4.115 20 30 EIEDRO C=CCCCCCC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001209431370 1020322248 /nfs/dbraw/zinc/32/22/48/1020322248.db2.gz MIHNBHVCOYPZGM-UHFFFAOYSA-N 1 0 336.520 4.456 20 30 EIEDRO C=CCCCCC[NH+]1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC001209432964 1020329416 /nfs/dbraw/zinc/32/94/16/1020329416.db2.gz OLTLWUGRUQQUNB-UHFFFAOYSA-N 1 0 336.483 4.012 20 30 EIEDRO C=CCCCCCC[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001209438907 1020341100 /nfs/dbraw/zinc/34/11/00/1020341100.db2.gz XODPWOMLGWFGJU-AWEZNQCLSA-N 1 0 343.393 4.085 20 30 EIEDRO C=CCCCCCCCCN1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001209442266 1020352133 /nfs/dbraw/zinc/35/21/33/1020352133.db2.gz DEYBFGFJQLPYDY-GJZGRUSLSA-N 1 0 325.390 4.240 20 30 EIEDRO CCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)CC1CCCCC1 ZINC001167146900 1020377188 /nfs/dbraw/zinc/37/71/88/1020377188.db2.gz QTHYVSZHFPEDOW-UHFFFAOYSA-N 1 0 328.456 4.137 20 30 EIEDRO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC001203388259 1020394906 /nfs/dbraw/zinc/39/49/06/1020394906.db2.gz QRMGOFPQOUPLLG-GOSISDBHSA-N 1 0 326.827 4.255 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)cc1OCCCC#N ZINC000340396323 1020866658 /nfs/dbraw/zinc/86/66/58/1020866658.db2.gz HGTNMVNTHAYLHE-IGOJGBNBSA-N 1 0 330.472 4.292 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-c3cccnc3)cc2)cc1C#N ZINC000176747872 1020915871 /nfs/dbraw/zinc/91/58/71/1020915871.db2.gz HDGWFEUQSRIGGN-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO CC1CCN([C@H](C[NH2+]Cc2ccc(C#N)s2)c2cccs2)CC1 ZINC000176941266 1020935680 /nfs/dbraw/zinc/93/56/80/1020935680.db2.gz SCWMOGGMJAHHRD-QGZVFWFLSA-N 1 0 345.537 4.244 20 30 EIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)s2)ccn1 ZINC000176967351 1020941901 /nfs/dbraw/zinc/94/19/01/1020941901.db2.gz JOUKCFDBQUZIQU-AWEZNQCLSA-N 1 0 329.469 4.118 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)s1 ZINC000176975231 1020942133 /nfs/dbraw/zinc/94/21/33/1020942133.db2.gz DDKDSMPGCHDDDD-CYBMUJFWSA-N 1 0 331.872 4.032 20 30 EIEDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)s2)ccn1 ZINC000176967337 1020942360 /nfs/dbraw/zinc/94/23/60/1020942360.db2.gz JOUKCFDBQUZIQU-CQSZACIVSA-N 1 0 329.469 4.118 20 30 EIEDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340438688 1021024496 /nfs/dbraw/zinc/02/44/96/1021024496.db2.gz AFIXGVPJZKKKJF-RXVVDRJESA-N 1 0 349.478 4.453 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000069787405 1021024632 /nfs/dbraw/zinc/02/46/32/1021024632.db2.gz BRCJILTXAREEEE-HNNXBMFYSA-N 1 0 327.424 4.119 20 30 EIEDRO COc1cc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c(F)cn1 ZINC000340444292 1021039359 /nfs/dbraw/zinc/03/93/59/1021039359.db2.gz CNXGRDIRLAGPKO-KDOFPFPSSA-N 1 0 327.403 4.315 20 30 EIEDRO Cc1cc2ncc([C@H](C)[NH2+][C@H](CCCC#N)c3ccccc3)c(C)n2n1 ZINC000340444774 1021039599 /nfs/dbraw/zinc/03/95/99/1021039599.db2.gz JKSPBOMTOKUSLO-OXJNMPFZSA-N 1 0 347.466 4.432 20 30 EIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000340445511 1021040679 /nfs/dbraw/zinc/04/06/79/1021040679.db2.gz DZARQSAYNQYYOW-DYESRHJHSA-N 1 0 345.450 4.353 20 30 EIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000340448212 1021043514 /nfs/dbraw/zinc/04/35/14/1021043514.db2.gz RODPXWPLAQJRFU-CRAIPNDOSA-N 1 0 349.434 4.103 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1csc(Br)c1 ZINC000165458639 1021082372 /nfs/dbraw/zinc/08/23/72/1021082372.db2.gz PGNVKGRZKPVOQN-UHFFFAOYSA-N 1 0 335.270 4.323 20 30 EIEDRO C=CC[C@@H](CC)[NH2+][C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000500823948 1032958878 /nfs/dbraw/zinc/95/88/78/1032958878.db2.gz ANZMZYUDSHTHEF-XLIONFOSSA-N 1 0 338.451 4.319 20 30 EIEDRO CC(=NNc1ccc2ccccc2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748131240 1021226659 /nfs/dbraw/zinc/22/66/59/1021226659.db2.gz IMBCJFQUADHWDW-UHFFFAOYSA-N 1 0 348.450 4.011 20 30 EIEDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000610343236 1021332161 /nfs/dbraw/zinc/33/21/61/1021332161.db2.gz BWHKCPBRCOLQEY-BBWFWOEESA-N 1 0 349.478 4.037 20 30 EIEDRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610343771 1021337022 /nfs/dbraw/zinc/33/70/22/1021337022.db2.gz RZUVFARIDRABEW-ZIAGYGMSSA-N 1 0 341.842 4.198 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(Br)cc1F)c1cccc(C#N)c1 ZINC000610344984 1021340304 /nfs/dbraw/zinc/34/03/04/1021340304.db2.gz PQGDFQYEQHXFCT-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](CCCCC(C)(C)C#N)C[C@H]21 ZINC000376095924 1021431404 /nfs/dbraw/zinc/43/14/04/1021431404.db2.gz JYOLIHMRLJDRKM-IAGOWNOFSA-N 1 0 349.519 4.038 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1Cl ZINC000092071444 1021458363 /nfs/dbraw/zinc/45/83/63/1021458363.db2.gz AKFYQXHXRCXDKQ-HNNXBMFYSA-N 1 0 331.847 4.008 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2nc3ccc(F)cc3s2)cc1 ZINC000512521602 1032987212 /nfs/dbraw/zinc/98/72/12/1032987212.db2.gz HJBRILNEPAKHHF-UHFFFAOYSA-N 1 0 328.412 4.290 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000177701329 1021558320 /nfs/dbraw/zinc/55/83/20/1021558320.db2.gz AKUKVTIHMQHNLD-UHFFFAOYSA-N 1 0 344.443 4.453 20 30 EIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177708074 1021626456 /nfs/dbraw/zinc/62/64/56/1021626456.db2.gz QHGJDNDZLYYSAJ-HKUYNNGSSA-N 1 0 326.465 4.186 20 30 EIEDRO N#Cc1csc(C[NH2+]CCc2nc(C3CCCCC3)cs2)c1 ZINC000177703982 1021632226 /nfs/dbraw/zinc/63/22/26/1021632226.db2.gz CHKFXHCAFHNJCP-UHFFFAOYSA-N 1 0 331.510 4.456 20 30 EIEDRO Oc1cccc(C[N@H+](CC#Cc2ccccc2Cl)CC2CC2)c1 ZINC001167353154 1021648029 /nfs/dbraw/zinc/64/80/29/1021648029.db2.gz GARPICMJBMMZQL-UHFFFAOYSA-N 1 0 325.839 4.309 20 30 EIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCOCC1)c1ccc(C#N)s1 ZINC000376177504 1021670393 /nfs/dbraw/zinc/67/03/93/1021670393.db2.gz IINYRVLYUXYQLL-LIRRHRJNSA-N 1 0 326.465 4.438 20 30 EIEDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000580120993 1021741995 /nfs/dbraw/zinc/74/19/95/1021741995.db2.gz NYIBBMJPRIQVJV-OAHLLOKOSA-N 1 0 328.843 4.421 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ccc(Cl)cc3)C1)CC2 ZINC000582055532 1021903246 /nfs/dbraw/zinc/90/32/46/1021903246.db2.gz REUPBPPCZMGMGE-YLJYHZDGSA-N 1 0 337.854 4.067 20 30 EIEDRO C[NH+](C)[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)c1cccs1 ZINC000613409224 1021979309 /nfs/dbraw/zinc/97/93/09/1021979309.db2.gz PNPXMPCNDVSBSD-AWEZNQCLSA-N 1 0 328.485 4.027 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613414586 1021983648 /nfs/dbraw/zinc/98/36/48/1021983648.db2.gz XFBVIKITSDEIGO-JZXOWHBKSA-N 1 0 340.515 4.092 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415676675 1022008972 /nfs/dbraw/zinc/00/89/72/1022008972.db2.gz SHJONUCJOIWTGU-UHFFFAOYSA-N 1 0 329.488 4.178 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000414166028 1022009991 /nfs/dbraw/zinc/00/99/91/1022009991.db2.gz MWJVKXUNHBYMLO-CYBMUJFWSA-N 1 0 327.291 4.491 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000415679390 1022012850 /nfs/dbraw/zinc/01/28/50/1022012850.db2.gz YNYNLZHFPVDCFK-QUCCMNQESA-N 1 0 341.499 4.191 20 30 EIEDRO Cc1c([C@H](C)[NH2+]CC(C)(C)CC#N)cnn1-c1cccc(Cl)c1 ZINC000414168114 1022014290 /nfs/dbraw/zinc/01/42/90/1022014290.db2.gz QGVMUSMKXKOMFN-ZDUSSCGKSA-N 1 0 330.863 4.425 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]Cc1cccc(C#N)c1 ZINC000892547256 1022046104 /nfs/dbraw/zinc/04/61/04/1022046104.db2.gz YUEFJDDYJZWLSF-UHFFFAOYSA-N 1 0 343.452 4.257 20 30 EIEDRO C=CCN1CCC([NH2+]C/C(C)=C\c2cccc(C(F)(F)F)c2)CC1 ZINC000580477070 1022071424 /nfs/dbraw/zinc/07/14/24/1022071424.db2.gz VOEWKEMKQWJIPC-QINSGFPZSA-N 1 0 338.417 4.349 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000312883157 1022118239 /nfs/dbraw/zinc/11/82/39/1022118239.db2.gz ABNQLPFGECJFAL-CYBMUJFWSA-N 1 0 329.241 4.214 20 30 EIEDRO N#Cc1ccc(CN[C@@H](c2ccncc2)c2cc(F)ccc2F)s1 ZINC000377986665 1022188811 /nfs/dbraw/zinc/18/88/11/1022188811.db2.gz APMUCXNTHBREJY-SFHVURJKSA-N 1 0 341.386 4.172 20 30 EIEDRO CC1(c2ccc(Br)cc2)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000549674302 1033038451 /nfs/dbraw/zinc/03/84/51/1033038451.db2.gz NDGUOWCBFPDVEG-WMLDXEAASA-N 1 0 347.300 4.495 20 30 EIEDRO CO[C@](C)([C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CC1 ZINC000414236713 1022252478 /nfs/dbraw/zinc/25/24/78/1022252478.db2.gz LBXOWSPEKBNMJX-GXVGGZGZSA-N 1 0 326.484 4.184 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000472562677 1022258287 /nfs/dbraw/zinc/25/82/87/1022258287.db2.gz IWMAXBNOTAQASZ-APWZRJJASA-N 1 0 327.472 4.081 20 30 EIEDRO CC[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000414247781 1022301973 /nfs/dbraw/zinc/30/19/73/1022301973.db2.gz DWWXDAOWSJYTPT-AWEZNQCLSA-N 1 0 339.405 4.095 20 30 EIEDRO FC1(F)[C@@H]2C[NH+](C3CCCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932941065 1022336591 /nfs/dbraw/zinc/33/65/91/1022336591.db2.gz ADKXLNOVKKQHIY-RKDXNWHRSA-N 1 0 337.254 4.032 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000414297841 1022437822 /nfs/dbraw/zinc/43/78/22/1022437822.db2.gz HQQNYKDNDGDHTJ-LJQANCHMSA-N 1 0 341.524 4.197 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000414305949 1022464797 /nfs/dbraw/zinc/46/47/97/1022464797.db2.gz QMPJIYIJHHGSCV-YJBOKZPZSA-N 1 0 344.524 4.478 20 30 EIEDRO C=CCCCC[NH2+][C@@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000471617580 1022477555 /nfs/dbraw/zinc/47/75/55/1022477555.db2.gz GRLMWFCFWYBGKW-MOPGFXCFSA-N 1 0 335.513 4.026 20 30 EIEDRO N#Cc1cc(F)c(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000310863670 1022487978 /nfs/dbraw/zinc/48/79/78/1022487978.db2.gz DEPPLCVPNIXLQL-MRXNPFEDSA-N 1 0 341.405 4.161 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000180345623 1022575635 /nfs/dbraw/zinc/57/56/35/1022575635.db2.gz YQYRHTRNFDEZSC-HZPDHXFCSA-N 1 0 336.819 4.032 20 30 EIEDRO CCO[C@H](CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CCCC1 ZINC000181849995 1022729564 /nfs/dbraw/zinc/72/95/64/1022729564.db2.gz WHYPKRAHJIZUEY-OXJNMPFZSA-N 1 0 330.472 4.225 20 30 EIEDRO C=CCC[C@@H](NC(=O)N1CC[C@@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000893766628 1033079499 /nfs/dbraw/zinc/07/94/99/1033079499.db2.gz CNJPDKBEBCDWCS-AZUAARDMSA-N 1 0 343.515 4.067 20 30 EIEDRO C=CCC[C@H](NC(=O)N1CC[C@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000893766630 1033080529 /nfs/dbraw/zinc/08/05/29/1033080529.db2.gz CNJPDKBEBCDWCS-QUCCMNQESA-N 1 0 343.515 4.067 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCCc2cccc(Cl)c2)O1 ZINC000378448352 1022825002 /nfs/dbraw/zinc/82/50/02/1022825002.db2.gz CNKGFSADMWYDPD-YRXWBPOGSA-N 1 0 332.875 4.102 20 30 EIEDRO C#CCSCC[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000181099016 1022890799 /nfs/dbraw/zinc/89/07/99/1022890799.db2.gz FMUSADIIKKDUQB-LLVKDONJSA-N 1 0 331.453 4.027 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Br)cc1 ZINC000181113407 1022890850 /nfs/dbraw/zinc/89/08/50/1022890850.db2.gz SJCKJMKIIIHCTM-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C=CC(C)(C)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001125832960 1022895888 /nfs/dbraw/zinc/89/58/88/1022895888.db2.gz LSQNHHONNQFJCB-SFHVURJKSA-N 1 0 348.918 4.413 20 30 EIEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C12CCCC2 ZINC000581337086 1023034433 /nfs/dbraw/zinc/03/44/33/1023034433.db2.gz UETJHBMJBPVWFY-MOPGFXCFSA-N 1 0 326.484 4.315 20 30 EIEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000561348656 1023123780 /nfs/dbraw/zinc/12/37/80/1023123780.db2.gz NIIGRVPISYLICW-FOIPXRHGSA-N 1 0 327.472 4.058 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000135172321 1023174909 /nfs/dbraw/zinc/17/49/09/1023174909.db2.gz OLAFYXNKHZSTKG-MRXNPFEDSA-N 1 0 347.418 4.088 20 30 EIEDRO C=C(C)CN(Cc1ccc(CO)o1)Cc1cnc(C(C)(C)C)s1 ZINC000581421975 1023175377 /nfs/dbraw/zinc/17/53/77/1023175377.db2.gz NIUPEJCNSAEANM-UHFFFAOYSA-N 1 0 334.485 4.104 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2CCCOc3c(C)cc(Cl)cc32)CC1 ZINC000179109942 1023204035 /nfs/dbraw/zinc/20/40/35/1023204035.db2.gz NEQVLMGZQXFFEU-SFHVURJKSA-N 1 0 334.891 4.102 20 30 EIEDRO C=CCCCCC[N@@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC001167461358 1023208863 /nfs/dbraw/zinc/20/88/63/1023208863.db2.gz GAIDXPKYIOTBBC-UHFFFAOYSA-N 1 0 329.440 4.158 20 30 EIEDRO COc1ccccc1CCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001167464070 1023235685 /nfs/dbraw/zinc/23/56/85/1023235685.db2.gz FKUPGXZBVIUVIN-SFTDATJTSA-N 1 0 334.463 4.400 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CS1 ZINC000414498318 1023245011 /nfs/dbraw/zinc/24/50/11/1023245011.db2.gz IDURYCPXXTXSHA-BEFAXECRSA-N 1 0 338.476 4.121 20 30 EIEDRO COc1ncc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000417374738 1023288984 /nfs/dbraw/zinc/28/89/84/1023288984.db2.gz YNQQURBDPLXFHN-SGTLLEGYSA-N 1 0 341.842 4.343 20 30 EIEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417368973 1023292161 /nfs/dbraw/zinc/29/21/61/1023292161.db2.gz QUDFBVTYNYNLCL-LIRRHRJNSA-N 1 0 335.407 4.065 20 30 EIEDRO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417366886 1023292550 /nfs/dbraw/zinc/29/25/50/1023292550.db2.gz NZIOTEXNMQUBLX-LHSJRXKWSA-N 1 0 333.435 4.245 20 30 EIEDRO CN(C)C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000581518571 1023323967 /nfs/dbraw/zinc/32/39/67/1023323967.db2.gz IWXUYVQSZZOAIB-UXHICEINSA-N 1 0 339.870 4.091 20 30 EIEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000511638820 1023387836 /nfs/dbraw/zinc/38/78/36/1023387836.db2.gz CGDMRUVMFWVJDF-RNJSZURPSA-N 1 0 344.458 4.080 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(Br)ccc1F ZINC000149551025 1023451859 /nfs/dbraw/zinc/45/18/59/1023451859.db2.gz FUVDQFAOAHRXJS-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1[N+](=O)[O-] ZINC000341254522 1023460202 /nfs/dbraw/zinc/46/02/02/1023460202.db2.gz FRFLNIVLDWHQTE-HNNXBMFYSA-N 1 0 339.395 4.128 20 30 EIEDRO C=CCC[C@@H](O)C[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000472748048 1023484040 /nfs/dbraw/zinc/48/40/40/1023484040.db2.gz ICAMFYKGMOGOKZ-OAQYLSRUSA-N 1 0 343.511 4.107 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+](Cc1cccs1)Cc1ccccc1OC ZINC000472759274 1023511343 /nfs/dbraw/zinc/51/13/43/1023511343.db2.gz JXLFKPCTMPCLPU-QGZVFWFLSA-N 1 0 331.481 4.086 20 30 EIEDRO Cc1sccc1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000549750741 1033138562 /nfs/dbraw/zinc/13/85/62/1033138562.db2.gz HKZDUTLUWZODOQ-UHFFFAOYSA-N 1 0 326.465 4.408 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)cc1 ZINC000311948925 1023512996 /nfs/dbraw/zinc/51/29/96/1023512996.db2.gz YUYZBWLBVITFHU-CYBMUJFWSA-N 1 0 333.254 4.159 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@@H](CC)c2ccccc2)cc(OC)c1O ZINC000500124028 1023521572 /nfs/dbraw/zinc/52/15/72/1023521572.db2.gz QIVSVPUGALUUQA-QGZVFWFLSA-N 1 0 325.452 4.413 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000418146464 1023564135 /nfs/dbraw/zinc/56/41/35/1023564135.db2.gz PMPXJMGMDMBLRZ-INIZCTEOSA-N 1 0 337.423 4.474 20 30 EIEDRO C=CCC[N@@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000276479784 1023576356 /nfs/dbraw/zinc/57/63/56/1023576356.db2.gz SRRXYFDJNJFHAF-NEPJUHHUSA-N 1 0 331.485 4.091 20 30 EIEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000236760564 1023580485 /nfs/dbraw/zinc/58/04/85/1023580485.db2.gz LGVMSQXUTWGCTC-UHFFFAOYSA-N 1 0 349.297 4.493 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(CC(C)C)nc2)c1 ZINC000892973736 1023617532 /nfs/dbraw/zinc/61/75/32/1023617532.db2.gz WKANZZFQUIQKQV-FQEVSTJZSA-N 1 0 337.467 4.251 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000415585133 1023710683 /nfs/dbraw/zinc/71/06/83/1023710683.db2.gz UMUDAJMZLWDQGQ-FUHWJXTLSA-N 1 0 329.488 4.178 20 30 EIEDRO C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]CCCCC1(C#N)CCC1 ZINC000933441772 1023710617 /nfs/dbraw/zinc/71/06/17/1023710617.db2.gz DPZIAVHKJOPMPI-GOSISDBHSA-N 1 0 334.891 4.087 20 30 EIEDRO N#CCC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000759864981 1023752494 /nfs/dbraw/zinc/75/24/94/1023752494.db2.gz JWOZNMUVBMAQIG-ZWKOTPCHSA-N 1 0 332.806 4.147 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1cccc(C#N)c1 ZINC000178178948 1023780603 /nfs/dbraw/zinc/78/06/03/1023780603.db2.gz YAYHZWGQIVREAZ-KGVIQGDOSA-N 1 0 333.479 4.262 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000581864043 1023781953 /nfs/dbraw/zinc/78/19/53/1023781953.db2.gz FLXSRSBCLGLEDZ-JOCHJYFZSA-N 1 0 338.470 4.350 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000188174765 1023822306 /nfs/dbraw/zinc/82/23/06/1023822306.db2.gz UJIXCBSFXDFHTK-SFTDATJTSA-N 1 0 340.511 4.213 20 30 EIEDRO C=CCC(C)(C)CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000432077670 1023862917 /nfs/dbraw/zinc/86/29/17/1023862917.db2.gz OYHJLZKXQQQRFX-QGZVFWFLSA-N 1 0 343.515 4.114 20 30 EIEDRO CCCCCCCOc1cccc(CN[C@H](C)c2ncnn2C)c1 ZINC000276690396 1023869707 /nfs/dbraw/zinc/86/97/07/1023869707.db2.gz MUDMXBBOAFIWFJ-MRXNPFEDSA-N 1 0 330.476 4.015 20 30 EIEDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)s1 ZINC000341555543 1023871860 /nfs/dbraw/zinc/87/18/60/1023871860.db2.gz AEWYVPQZJTZSCL-UHFFFAOYSA-N 1 0 347.871 4.042 20 30 EIEDRO Cc1cc(C[NH+](C)C)cc(NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000156526558 1023924144 /nfs/dbraw/zinc/92/41/44/1023924144.db2.gz ILJXLKQDHAXQRK-UHFFFAOYSA-N 1 0 336.483 4.019 20 30 EIEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000124385087 1023940766 /nfs/dbraw/zinc/94/07/66/1023940766.db2.gz FCONMXVORQSHSQ-OAHLLOKOSA-N 1 0 335.517 4.095 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCCO2 ZINC000581973279 1023956443 /nfs/dbraw/zinc/95/64/43/1023956443.db2.gz GKFDCYDPJHLLBC-SIKLNZKXSA-N 1 0 348.446 4.304 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000651740034 1023962656 /nfs/dbraw/zinc/96/26/56/1023962656.db2.gz OEZYPYLFYTYMNQ-FXAWDEMLSA-N 1 0 329.484 4.217 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000651759187 1023984826 /nfs/dbraw/zinc/98/48/26/1023984826.db2.gz DFNGWCXTCHNKTP-WMLDXEAASA-N 1 0 329.419 4.143 20 30 EIEDRO C=CC[C@H]1CCCN([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380749 1024080441 /nfs/dbraw/zinc/08/04/41/1024080441.db2.gz OWZHPXRFEZBVIP-OCCSQVGLSA-N 1 0 331.485 4.363 20 30 EIEDRO C=CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000661378820 1024083564 /nfs/dbraw/zinc/08/35/64/1024083564.db2.gz MVALAJMVQMPFQA-SFHVURJKSA-N 1 0 326.484 4.101 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000651679966 1024185248 /nfs/dbraw/zinc/18/52/48/1024185248.db2.gz TYNLHYQHNJYCPQ-SPYBWZPUSA-N 1 0 327.472 4.366 20 30 EIEDRO CO[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCC1 ZINC000595095641 1024196797 /nfs/dbraw/zinc/19/67/97/1024196797.db2.gz SBRBRKGYQBTDME-NYLDSWQDSA-N 1 0 326.484 4.185 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000661117086 1024247626 /nfs/dbraw/zinc/24/76/26/1024247626.db2.gz OAQAMXKEEIBIIX-DOMZBBRYSA-N 1 0 331.847 4.213 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000661117087 1024251188 /nfs/dbraw/zinc/25/11/88/1024251188.db2.gz OAQAMXKEEIBIIX-IUODEOHRSA-N 1 0 331.847 4.213 20 30 EIEDRO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC(C)(C)CCC#N)n2)cc1 ZINC000276804290 1024307601 /nfs/dbraw/zinc/30/76/01/1024307601.db2.gz WDIGWTSTGZOFDP-CQSZACIVSA-N 1 0 326.444 4.280 20 30 EIEDRO CCOc1cc(CN(CC)C[C@@H](C)C#N)ccc1OCC(F)(F)F ZINC000091983524 1024707649 /nfs/dbraw/zinc/70/76/49/1024707649.db2.gz JPKHGPAZGMPRTE-ZDUSSCGKSA-N 1 0 344.377 4.008 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000247507060 1024780184 /nfs/dbraw/zinc/78/01/84/1024780184.db2.gz YDMMYTAQBZUBCI-ZAAXVRCTSA-N 1 0 339.508 4.353 20 30 EIEDRO CC(C)c1ccc([C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)C(C)C)cc1 ZINC000510923212 1024824387 /nfs/dbraw/zinc/82/43/87/1024824387.db2.gz XAALQDHTKBUWEX-RTWAWAEBSA-N 1 0 343.515 4.151 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000662080204 1024851006 /nfs/dbraw/zinc/85/10/06/1024851006.db2.gz NVMORCQWDOFFRM-ZYSHUDEJSA-N 1 0 326.484 4.321 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000662082429 1024852770 /nfs/dbraw/zinc/85/27/70/1024852770.db2.gz UUHTZFVDDSKYEI-MCIONIFRSA-N 1 0 338.373 4.215 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184649425 1024939292 /nfs/dbraw/zinc/93/92/92/1024939292.db2.gz BSLFUWQNBMFPAT-HUUCEWRRSA-N 1 0 345.512 4.045 20 30 EIEDRO C=CCC[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000341949740 1025008098 /nfs/dbraw/zinc/00/80/98/1025008098.db2.gz WQWBQSLVXSCPTE-FQEVSTJZSA-N 1 0 343.492 4.148 20 30 EIEDRO C[C@@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000610829828 1025051186 /nfs/dbraw/zinc/05/11/86/1025051186.db2.gz NPLSZQASYSVBED-LZJOCLMNSA-N 1 0 325.500 4.252 20 30 EIEDRO C=CCCCC[NH+]1CCC(Cc2nc(C3(OC)CCCC3)no2)CC1 ZINC000662376249 1025089002 /nfs/dbraw/zinc/08/90/02/1025089002.db2.gz XGQJQFZFEIZUPZ-UHFFFAOYSA-N 1 0 347.503 4.096 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)ccn1 ZINC000610993881 1025230363 /nfs/dbraw/zinc/23/03/63/1025230363.db2.gz GSFBQXVIHQLKCP-UHFFFAOYSA-N 1 0 345.368 4.352 20 30 EIEDRO C=C(C)CC[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001167804715 1025282575 /nfs/dbraw/zinc/28/25/75/1025282575.db2.gz QQRGUNDFPPYBFJ-UHFFFAOYSA-N 1 0 345.487 4.033 20 30 EIEDRO C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC001167499104 1025335218 /nfs/dbraw/zinc/33/52/18/1025335218.db2.gz BVUJKNUJEKODGR-PGRDOPGGSA-N 1 0 334.463 4.453 20 30 EIEDRO CCC[N@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000538306336 1025372332 /nfs/dbraw/zinc/37/23/32/1025372332.db2.gz PQXAICIXFIWZIZ-UHFFFAOYSA-N 1 0 344.462 4.371 20 30 EIEDRO C[NH+](C)CCOc1cccc(N[C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481993188 1025376460 /nfs/dbraw/zinc/37/64/60/1025376460.db2.gz SVLSYTLOYLUSDC-QFIPXVFZSA-N 1 0 349.478 4.378 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCc2ccc(Cl)cc2)cc1 ZINC000105480896 1025384013 /nfs/dbraw/zinc/38/40/13/1025384013.db2.gz VZEDZXMHIPJVEJ-OAHLLOKOSA-N 1 0 328.843 4.353 20 30 EIEDRO CC(=NNc1cccc2cnccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000728431950 1025384205 /nfs/dbraw/zinc/38/42/05/1025384205.db2.gz IQVMESRDOYLDLP-UHFFFAOYSA-N 1 0 348.450 4.011 20 30 EIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)s2)[C@H](C)C2CC2)cc1 ZINC000506725635 1025488975 /nfs/dbraw/zinc/48/89/75/1025488975.db2.gz IBFJXIZJJXXZOO-CQSZACIVSA-N 1 0 326.465 4.429 20 30 EIEDRO CC(C)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000123516570 1025740668 /nfs/dbraw/zinc/74/06/68/1025740668.db2.gz MGVGOFCVHMSRFC-INIZCTEOSA-N 1 0 345.512 4.141 20 30 EIEDRO C[N@H+](CCOc1ccc(Br)cc1)CC(C)(C)CCC#N ZINC000506804018 1025784328 /nfs/dbraw/zinc/78/43/28/1025784328.db2.gz DJCXEWPGQZRVPF-UHFFFAOYSA-N 1 0 339.277 4.090 20 30 EIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926351647 1025789944 /nfs/dbraw/zinc/78/99/44/1025789944.db2.gz RPSNXTFWWQDPLM-DLBZAZTESA-N 1 0 349.519 4.250 20 30 EIEDRO COc1cc(C[NH2+]CC[C@H](c2ccccc2)C(F)(F)F)ccc1C#N ZINC000569475866 1025798310 /nfs/dbraw/zinc/79/83/10/1025798310.db2.gz DFJUIMNPDLADCY-QGZVFWFLSA-N 1 0 348.368 4.393 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000585756123 1025823865 /nfs/dbraw/zinc/82/38/65/1025823865.db2.gz HTLBUTRRLLGHTC-JOCHJYFZSA-N 1 0 332.447 4.228 20 30 EIEDRO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cnc3ccc(C#N)cn13)CC2 ZINC000585767400 1025828394 /nfs/dbraw/zinc/82/83/94/1025828394.db2.gz LSVQOCYJWSJTOO-HXUWFJFHSA-N 1 0 330.435 4.106 20 30 EIEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000512068597 1025873464 /nfs/dbraw/zinc/87/34/64/1025873464.db2.gz SDJQIMHIDZESIO-UHFFFAOYSA-N 1 0 346.409 4.276 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278969942 1025874903 /nfs/dbraw/zinc/87/49/03/1025874903.db2.gz XSMMWKAJXIYLHC-MRXNPFEDSA-N 1 0 334.467 4.032 20 30 EIEDRO CC[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H](O)c1ccc(C)cc1 ZINC001167516998 1025890844 /nfs/dbraw/zinc/89/08/44/1025890844.db2.gz MLHJGEGUAAEIFD-HXUWFJFHSA-N 1 0 327.855 4.055 20 30 EIEDRO C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(C#N)cc1F ZINC000519531871 1025965252 /nfs/dbraw/zinc/96/52/52/1025965252.db2.gz OFWJPQXKHAYSMH-NSHDSACASA-N 1 0 337.320 4.004 20 30 EIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C12CCCCC2 ZINC001167533989 1025985813 /nfs/dbraw/zinc/98/58/13/1025985813.db2.gz PKYOEVQEMKTHNF-OALUTQOASA-N 1 0 330.447 4.257 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)nc1)Cc1cccc(Br)c1 ZINC001140545574 1026002678 /nfs/dbraw/zinc/00/26/78/1026002678.db2.gz DUTADOGHJGHHDJ-UHFFFAOYSA-N 1 0 344.256 4.128 20 30 EIEDRO C=CC1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000111260211 1026118853 /nfs/dbraw/zinc/11/88/53/1026118853.db2.gz PTEOEQLYTNVYLL-UHFFFAOYSA-N 1 0 327.255 4.220 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)ccc1C#N ZINC000582092275 1026132374 /nfs/dbraw/zinc/13/23/74/1026132374.db2.gz IZORXQLTWSQXSJ-ZDUSSCGKSA-N 1 0 342.464 4.148 20 30 EIEDRO Cc1cc(Cl)ccc1CN1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000511073690 1026146434 /nfs/dbraw/zinc/14/64/34/1026146434.db2.gz QKXCJQLYPGQMKA-UHFFFAOYSA-N 1 0 333.907 4.096 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C ZINC000512154752 1026165096 /nfs/dbraw/zinc/16/50/96/1026165096.db2.gz OZSGYLRAOCENLY-JKSUJKDBSA-N 1 0 345.512 4.141 20 30 EIEDRO CCc1ccc([C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C(C)C)cc1 ZINC000551799325 1026261026 /nfs/dbraw/zinc/26/10/26/1026261026.db2.gz SKIVVOWCRLNLIU-NRFANRHFSA-N 1 0 332.451 4.255 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)cc1OCCCC#N ZINC000344376628 1026325761 /nfs/dbraw/zinc/32/57/61/1026325761.db2.gz YLGPBTYDAKHQEL-LZLYRXPVSA-N 1 0 330.472 4.292 20 30 EIEDRO C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000512191581 1026331648 /nfs/dbraw/zinc/33/16/48/1026331648.db2.gz NGBWYBMETPPGDC-CQSZACIVSA-N 1 0 345.512 4.092 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+]CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279379088 1026402179 /nfs/dbraw/zinc/40/21/79/1026402179.db2.gz XTFKYOPSJSSCBN-ZWKOTPCHSA-N 1 0 337.870 4.286 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000119732386 1026409177 /nfs/dbraw/zinc/40/91/77/1026409177.db2.gz AHGHJSFWRHNBRN-QGZVFWFLSA-N 1 0 333.435 4.288 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(-c2ccncc2)n1 ZINC000279406091 1026414491 /nfs/dbraw/zinc/41/44/91/1026414491.db2.gz MYUPIBDVXAFXMC-YLJYHZDGSA-N 1 0 349.482 4.013 20 30 EIEDRO C[C@H]1CSC[C@@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000512198999 1026419379 /nfs/dbraw/zinc/41/93/79/1026419379.db2.gz BZHJMDCCXQLXBS-PXNSSMCTSA-N 1 0 336.504 4.227 20 30 EIEDRO C[C@@H]1CSC[C@@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000512199000 1026419788 /nfs/dbraw/zinc/41/97/88/1026419788.db2.gz BZHJMDCCXQLXBS-XLIONFOSSA-N 1 0 336.504 4.227 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC001167561998 1026422918 /nfs/dbraw/zinc/42/29/18/1026422918.db2.gz DGQPEDJXKVKXNT-QZTJIDSGSA-N 1 0 336.520 4.195 20 30 EIEDRO N#CCCCC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109792001 1026445857 /nfs/dbraw/zinc/44/58/57/1026445857.db2.gz JMFPVPXQKWCHGL-GOSISDBHSA-N 1 0 326.419 4.437 20 30 EIEDRO C[C@H](c1ccccc1Cl)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000506926045 1026527666 /nfs/dbraw/zinc/52/76/66/1026527666.db2.gz CHXKIFDSRYEKOY-MRXNPFEDSA-N 1 0 333.907 4.349 20 30 EIEDRO CCc1nc2cc(C[NH2+]Cc3cccc(C#N)c3)ccc2n1C1CC1 ZINC000338446014 1026551319 /nfs/dbraw/zinc/55/13/19/1026551319.db2.gz QYXMHYQQCNGFIW-UHFFFAOYSA-N 1 0 330.435 4.095 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000606706857 1026570501 /nfs/dbraw/zinc/57/05/01/1026570501.db2.gz PVSUANSZLHZZCQ-UHFFFAOYSA-N 1 0 349.563 4.421 20 30 EIEDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cc1C ZINC000511121511 1026623454 /nfs/dbraw/zinc/62/34/54/1026623454.db2.gz GPJSIGIKCBPLPG-HXUWFJFHSA-N 1 0 330.435 4.160 20 30 EIEDRO C[C@@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512284072 1026647514 /nfs/dbraw/zinc/64/75/14/1026647514.db2.gz WTMHYZSYAKIRLW-MRXNPFEDSA-N 1 0 338.426 4.487 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1OCCCO2 ZINC000507170647 1026684363 /nfs/dbraw/zinc/68/43/63/1026684363.db2.gz PMHLRIQOMVAKMV-UHFFFAOYSA-N 1 0 336.435 4.130 20 30 EIEDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1cccc(C#N)c1 ZINC000507195158 1026697321 /nfs/dbraw/zinc/69/73/21/1026697321.db2.gz TWDVTWSTYWPQJI-UHFFFAOYSA-N 1 0 347.374 4.358 20 30 EIEDRO COc1ccc(OC)c(C[N@H+](Cc2cc(C#N)cs2)C(C)(C)C)c1 ZINC000507210139 1026700556 /nfs/dbraw/zinc/70/05/56/1026700556.db2.gz JRXYHZPGAWLXGG-UHFFFAOYSA-N 1 0 344.480 4.438 20 30 EIEDRO COc1ccc(C[NH2+]CC2(C)CCCCC2)cc1OCCCC#N ZINC000344954077 1026721531 /nfs/dbraw/zinc/72/15/31/1026721531.db2.gz IWQNQOSGFKFBSV-UHFFFAOYSA-N 1 0 330.472 4.438 20 30 EIEDRO C=C(C)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512343707 1026761535 /nfs/dbraw/zinc/76/15/35/1026761535.db2.gz QTPYKNUMWATTAQ-JTQLQIEISA-N 1 0 334.769 4.242 20 30 EIEDRO C=CCC[C@H]([NH2+]CCC(=O)NC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000342219499 1026780186 /nfs/dbraw/zinc/78/01/86/1026780186.db2.gz HNTZMLONVFMTRL-INIZCTEOSA-N 1 0 342.405 4.217 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccc(C#N)cc1 ZINC000479250235 1026792809 /nfs/dbraw/zinc/79/28/09/1026792809.db2.gz IFQRRZNHBJRRBL-CJNGLKHVSA-N 1 0 343.833 4.280 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000479521562 1026834033 /nfs/dbraw/zinc/83/40/33/1026834033.db2.gz GSNRBOSJWOQSDJ-AWEZNQCLSA-N 1 0 348.368 4.393 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CCCC1(C)C ZINC000277721403 1026835714 /nfs/dbraw/zinc/83/57/14/1026835714.db2.gz JEKYOBAKBREKOY-KRWDZBQOSA-N 1 0 336.439 4.175 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1 ZINC000427448500 1026854025 /nfs/dbraw/zinc/85/40/25/1026854025.db2.gz ISVLPFUJAFRYCT-OAQYLSRUSA-N 1 0 340.511 4.213 20 30 EIEDRO CN(CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000507640075 1026857686 /nfs/dbraw/zinc/85/76/86/1026857686.db2.gz YZPZBCVVHNRRNA-UHFFFAOYSA-N 1 0 333.479 4.117 20 30 EIEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCCC[C@@H]1C ZINC000507636262 1026860141 /nfs/dbraw/zinc/86/01/41/1026860141.db2.gz MTOBMZGFXFNKPA-CDNGDFIJSA-N 1 0 339.527 4.243 20 30 EIEDRO CC[N@H+](CC(=O)N[C@@H](C)CCCC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000507684803 1026873554 /nfs/dbraw/zinc/87/35/54/1026873554.db2.gz AIYFOHQQFTZDSM-ZWKOTPCHSA-N 1 0 343.515 4.272 20 30 EIEDRO CC(C)(C)c1cc(Nc2c(C#N)cnn2-c2ccc(F)cc2)cc[nH+]1 ZINC001213163105 1026918029 /nfs/dbraw/zinc/91/80/29/1026918029.db2.gz VQCJBSRSFPVOEI-UHFFFAOYSA-N 1 0 335.386 4.319 20 30 EIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000342740122 1026925537 /nfs/dbraw/zinc/92/55/37/1026925537.db2.gz ULHIVVCTXMXTBP-FQEVSTJZSA-N 1 0 344.462 4.075 20 30 EIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cc(C#N)cs1 ZINC000158717420 1026930668 /nfs/dbraw/zinc/93/06/68/1026930668.db2.gz BFNYCZZJXWCCNU-MRXNPFEDSA-N 1 0 335.860 4.005 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000657531483 1026976412 /nfs/dbraw/zinc/97/64/12/1026976412.db2.gz ZWFADVGZFPXXNE-MJGOQNOKSA-N 1 0 337.467 4.377 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCOc2ccc(C)cc2)ccc1OC ZINC000060927011 1026976864 /nfs/dbraw/zinc/97/68/64/1026976864.db2.gz OXRVNPSXUIMQPY-UHFFFAOYSA-N 1 0 341.451 4.127 20 30 EIEDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245767 1026998539 /nfs/dbraw/zinc/99/85/39/1026998539.db2.gz ZYJTYMIJLFAQIX-HLIPFELVSA-N 1 0 349.478 4.391 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCc2cccnc2)cc1)c1ccc(C#N)cc1 ZINC000075755597 1027066590 /nfs/dbraw/zinc/06/65/90/1027066590.db2.gz HFMFHJIZNYBLNW-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO COCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000342808276 1027085633 /nfs/dbraw/zinc/08/56/33/1027085633.db2.gz AZPPSUDEVFNHSQ-GHJWDPDVSA-N 1 0 327.255 4.353 20 30 EIEDRO Cc1ccn2c(C[N@H+](Cc3ccc(C#N)cc3)CC(C)C)cnc2c1 ZINC000507733254 1027170651 /nfs/dbraw/zinc/17/06/51/1027170651.db2.gz QLPZISWCCFWGPJ-UHFFFAOYSA-N 1 0 332.451 4.173 20 30 EIEDRO C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1cc(C#N)cs1 ZINC000237480248 1027243010 /nfs/dbraw/zinc/24/30/10/1027243010.db2.gz NMQOIZKMNHWKKI-NSHDSACASA-N 1 0 340.370 4.196 20 30 EIEDRO C=CCC1([NH2+]Cc2csc(-c3ccc(C)cc3)n2)CCOCC1 ZINC000657633264 1027347600 /nfs/dbraw/zinc/34/76/00/1027347600.db2.gz KYNIXHBTQPCWIY-UHFFFAOYSA-N 1 0 328.481 4.333 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000441342296 1027481123 /nfs/dbraw/zinc/48/11/23/1027481123.db2.gz ROZHKYHHSYSFKU-UHFFFAOYSA-N 1 0 325.225 4.008 20 30 EIEDRO O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ccc2c[nH+]cn2c1 ZINC000329095630 1027590982 /nfs/dbraw/zinc/59/09/82/1027590982.db2.gz KXZSSHNYTGEJHT-GOSISDBHSA-N 1 0 349.438 4.028 20 30 EIEDRO C[N@H+](CCCc1ccccc1)Cc1cc(Br)ccc1C#N ZINC001141901398 1027604696 /nfs/dbraw/zinc/60/46/96/1027604696.db2.gz VBBXWSRXRXRNNW-UHFFFAOYSA-N 1 0 343.268 4.385 20 30 EIEDRO Cc1noc(C)c1C(C)(C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000329213523 1027653507 /nfs/dbraw/zinc/65/35/07/1027653507.db2.gz JPKQHHKVXRJSAX-HNNXBMFYSA-N 1 0 333.476 4.138 20 30 EIEDRO C[NH+](C)Cc1ccc(NC(=O)CCCCCC#N)cc1C(F)(F)F ZINC000894986228 1027690552 /nfs/dbraw/zinc/69/05/52/1027690552.db2.gz UAALMPBMALJTLZ-UHFFFAOYSA-N 1 0 341.377 4.180 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)CC2 ZINC000582934126 1027716889 /nfs/dbraw/zinc/71/68/89/1027716889.db2.gz BSQLGSHVZXJTJR-VAMGGRTRSA-N 1 0 338.838 4.319 20 30 EIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000131139563 1027723450 /nfs/dbraw/zinc/72/34/50/1027723450.db2.gz KTEUAELONJRFCS-CABCVRRESA-N 1 0 332.407 4.063 20 30 EIEDRO COc1ccc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)cc1 ZINC000304516828 1027747796 /nfs/dbraw/zinc/74/77/96/1027747796.db2.gz ZMDXTHPVXMAHGC-UHFFFAOYSA-N 1 0 347.418 4.414 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(C#N)cc1C(F)(F)F ZINC000523113686 1027750837 /nfs/dbraw/zinc/75/08/37/1027750837.db2.gz HSAKSTVDPWFLIW-ZDUSSCGKSA-N 1 0 325.378 4.253 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000329367559 1027752267 /nfs/dbraw/zinc/75/22/67/1027752267.db2.gz HMAONXMPAFVGMX-KSSFIOAISA-N 1 0 342.418 4.024 20 30 EIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000282011670 1027760323 /nfs/dbraw/zinc/76/03/23/1027760323.db2.gz ONXZAHFOQRBYIX-OALUTQOASA-N 1 0 326.484 4.273 20 30 EIEDRO CC[NH+]1CCC(CCNC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328671911 1027790240 /nfs/dbraw/zinc/79/02/40/1027790240.db2.gz HSLMJDDFTFFUHF-UHFFFAOYSA-N 1 0 333.476 4.149 20 30 EIEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000328742773 1027802275 /nfs/dbraw/zinc/80/22/75/1027802275.db2.gz JRNCTZMPYJCSKI-OAHLLOKOSA-N 1 0 333.476 4.005 20 30 EIEDRO C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000329470516 1027804301 /nfs/dbraw/zinc/80/43/01/1027804301.db2.gz YXJLZLUBILREMJ-PBHICJAKSA-N 1 0 338.455 4.155 20 30 EIEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2coc(C3CCCCC3)n2)C1 ZINC000328762215 1027804537 /nfs/dbraw/zinc/80/45/37/1027804537.db2.gz YYMKTABCGBOMQP-OAHLLOKOSA-N 1 0 333.476 4.147 20 30 EIEDRO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000328766033 1027805470 /nfs/dbraw/zinc/80/54/70/1027805470.db2.gz HAISQNJETHUVLN-HNNXBMFYSA-N 1 0 343.471 4.315 20 30 EIEDRO CC1(C)CC(NC(=O)N[C@H](c2cccs2)C2CC2)CC(C)(C)[NH2+]1 ZINC000328764526 1027806181 /nfs/dbraw/zinc/80/61/81/1027806181.db2.gz GGKGCEUTNKHISJ-HNNXBMFYSA-N 1 0 335.517 4.012 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000328791680 1027814143 /nfs/dbraw/zinc/81/41/43/1027814143.db2.gz QXWHIVOFBWPABT-CQSZACIVSA-N 1 0 340.471 4.303 20 30 EIEDRO CC[NH+](CC)CCCC1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428366602 1027833683 /nfs/dbraw/zinc/83/36/83/1027833683.db2.gz XQYMYAHPEAYKEH-UHFFFAOYSA-N 1 0 331.479 4.031 20 30 EIEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1nc2ccccc2n1C1CC1 ZINC000329531007 1027833840 /nfs/dbraw/zinc/83/38/40/1027833840.db2.gz WEISCWBBTITRBV-OAHLLOKOSA-N 1 0 340.471 4.092 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000444594416 1027881451 /nfs/dbraw/zinc/88/14/51/1027881451.db2.gz IGTAMCOJFBPZNR-UHFFFAOYSA-N 1 0 333.907 4.178 20 30 EIEDRO CC1(C)CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000507747889 1027885425 /nfs/dbraw/zinc/88/54/25/1027885425.db2.gz NFJZLDNOPVQQPV-UHFFFAOYSA-N 1 0 327.472 4.202 20 30 EIEDRO COc1cccc([C@H](C)N2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444602839 1027885640 /nfs/dbraw/zinc/88/56/40/1027885640.db2.gz NBLNGYUXJLCNKL-SFHVURJKSA-N 1 0 343.515 4.094 20 30 EIEDRO C[C@H](CNC(=O)c1ccc(Cl)c(N)c1Cl)C[NH+]1CCCCC1 ZINC000330961791 1027901433 /nfs/dbraw/zinc/90/14/33/1027901433.db2.gz PEDNRLMNIJVKDG-LLVKDONJSA-N 1 0 344.286 4.002 20 30 EIEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cl)c(N)c1Cl ZINC000330954857 1027901532 /nfs/dbraw/zinc/90/15/32/1027901532.db2.gz MMALKLMLAXLMHU-NSHDSACASA-N 1 0 344.286 4.145 20 30 EIEDRO C[C@@H]1CC[C@@H](C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)O1 ZINC000475026006 1027999920 /nfs/dbraw/zinc/99/99/20/1027999920.db2.gz KBJRDMIOHVEPCV-IERDGZPVSA-N 1 0 338.426 4.267 20 30 EIEDRO C[C@@H](C(=O)Nc1csc(-c2ccncc2)n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000329922575 1028154426 /nfs/dbraw/zinc/15/44/26/1028154426.db2.gz IBNSCVYCJOQFOU-UPJWGTAASA-N 1 0 330.457 4.054 20 30 EIEDRO CCc1ccc2c(c1)[C@H](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(=O)N2 ZINC000329915093 1028156073 /nfs/dbraw/zinc/15/60/73/1028156073.db2.gz YEHHCLQSPMPASY-FMKPAKJESA-N 1 0 343.471 4.154 20 30 EIEDRO COc1c(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)oc2ccccc21 ZINC000330006275 1028180361 /nfs/dbraw/zinc/18/03/61/1028180361.db2.gz DWYZXNZEBFDHGU-MRXNPFEDSA-N 1 0 342.439 4.305 20 30 EIEDRO COc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)ccc1C#N ZINC000440613016 1028201960 /nfs/dbraw/zinc/20/19/60/1028201960.db2.gz KVAIDHFTSFVHGK-UHFFFAOYSA-N 1 0 328.362 4.014 20 30 EIEDRO Cc1oc2ccc(NC(=O)N3CCC(c4ncc[nH]4)CC3)cc2c1C ZINC000330141527 1028214769 /nfs/dbraw/zinc/21/47/69/1028214769.db2.gz JRDOPQUDTXBQLK-UHFFFAOYSA-N 1 0 338.411 4.198 20 30 EIEDRO C=CCCC[C@H](C)[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000091599429 1028234136 /nfs/dbraw/zinc/23/41/36/1028234136.db2.gz WSGNLVZHBRERMK-KRWDZBQOSA-N 1 0 326.484 4.033 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000330267452 1028241190 /nfs/dbraw/zinc/24/11/90/1028241190.db2.gz QNVSWXVSEXJORQ-TZTCFGBESA-N 1 0 343.254 4.127 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000330271731 1028245788 /nfs/dbraw/zinc/24/57/88/1028245788.db2.gz WKPNMKLGQSIQEH-DYQSUWPFSA-N 1 0 343.254 4.127 20 30 EIEDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000343115057 1028266059 /nfs/dbraw/zinc/26/60/59/1028266059.db2.gz CWVPCXBAAXACIJ-PKOBYXMFSA-N 1 0 330.472 4.052 20 30 EIEDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000343115055 1028266531 /nfs/dbraw/zinc/26/65/31/1028266531.db2.gz CWVPCXBAAXACIJ-IEBWSBKVSA-N 1 0 330.472 4.052 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000155145683 1028360368 /nfs/dbraw/zinc/36/03/68/1028360368.db2.gz AHDQXSYVDIRTKL-HRAATJIYSA-N 1 0 336.435 4.323 20 30 EIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000548791644 1028371829 /nfs/dbraw/zinc/37/18/29/1028371829.db2.gz JTQAWFMKFGNPIY-UHFFFAOYSA-N 1 0 327.378 4.077 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)ccc1OC(C)C ZINC000343154164 1028399003 /nfs/dbraw/zinc/39/90/03/1028399003.db2.gz PGSWFZYDGLIZOV-CYBMUJFWSA-N 1 0 330.453 4.266 20 30 EIEDRO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1ccc2c(c1)OCO2 ZINC000330316993 1028410214 /nfs/dbraw/zinc/41/02/14/1028410214.db2.gz ZTXUWSSAOLEERS-YOEHRIQHSA-N 1 0 344.455 4.230 20 30 EIEDRO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)c1ccc2c(c1)OCO2 ZINC000330316992 1028411171 /nfs/dbraw/zinc/41/11/71/1028411171.db2.gz ZTXUWSSAOLEERS-WMLDXEAASA-N 1 0 344.455 4.230 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000281200416 1028434530 /nfs/dbraw/zinc/43/45/30/1028434530.db2.gz KDARVIVCRQJWRB-AZUAARDMSA-N 1 0 327.516 4.046 20 30 EIEDRO CCC(CC)C(=O)N1CCC([NH2+][C@H](CC)c2ccc(C#N)cc2)CC1 ZINC000278194237 1028474169 /nfs/dbraw/zinc/47/41/69/1028474169.db2.gz FUUNHGSXMBEYGH-HXUWFJFHSA-N 1 0 341.499 4.026 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281369272 1028569124 /nfs/dbraw/zinc/56/91/24/1028569124.db2.gz WMIISUHXOBXKHW-IBGZPJMESA-N 1 0 341.455 4.066 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2c(C)noc2C)cc1 ZINC000156071543 1028602517 /nfs/dbraw/zinc/60/25/17/1028602517.db2.gz YDSWPNPHHJBXGT-ZDUSSCGKSA-N 1 0 334.847 4.316 20 30 EIEDRO Cc1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000443988297 1028705937 /nfs/dbraw/zinc/70/59/37/1028705937.db2.gz MDGZJPRCFVDIDO-UHFFFAOYSA-N 1 0 328.337 4.027 20 30 EIEDRO Cc1ccc(C#N)c(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)n1 ZINC000346858166 1028797421 /nfs/dbraw/zinc/79/74/21/1028797421.db2.gz ZIIWYHODWHZFOM-KRWDZBQOSA-N 1 0 340.496 4.208 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC2Cc3ccccc3C2)ccc1OC ZINC000524225047 1028805006 /nfs/dbraw/zinc/80/50/06/1028805006.db2.gz TWIPKKDCEGHTDZ-UHFFFAOYSA-N 1 0 337.463 4.155 20 30 EIEDRO C=C(C)[C@H](N[C@H](C)c1cc2n(n1)CCCC2)c1ccc(F)c(F)c1 ZINC000647300270 1028903365 /nfs/dbraw/zinc/90/33/65/1028903365.db2.gz AJBKIJQKDWQKBJ-YJYMSZOUSA-N 1 0 331.410 4.466 20 30 EIEDRO N#CC1(c2ccccc2)CC([NH2+]Cc2sccc2Br)C1 ZINC000147950870 1028922677 /nfs/dbraw/zinc/92/26/77/1028922677.db2.gz VUZTYLKBNIYMIT-UHFFFAOYSA-N 1 0 347.281 4.224 20 30 EIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)[C@H]1CCc2ccccc2C1 ZINC000281910259 1028935767 /nfs/dbraw/zinc/93/57/67/1028935767.db2.gz GKNOBQMILZEVPB-NRFANRHFSA-N 1 0 340.511 4.356 20 30 EIEDRO C=C(C)CN(CC)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000524429065 1028957221 /nfs/dbraw/zinc/95/72/21/1028957221.db2.gz ORFMMUQRZCMLMR-UHFFFAOYSA-N 1 0 343.515 4.026 20 30 EIEDRO C[C@@H](C1CC1)[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281924185 1028964602 /nfs/dbraw/zinc/96/46/02/1028964602.db2.gz HMTWJGZQQUCEHN-SFHVURJKSA-N 1 0 326.484 4.388 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(Oc2cnccn2)cc1 ZINC000508546219 1028984172 /nfs/dbraw/zinc/98/41/72/1028984172.db2.gz RPGSLOZRIWCBSS-UHFFFAOYSA-N 1 0 331.419 4.457 20 30 EIEDRO CC[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(C#N)cc1 ZINC000278377305 1029049035 /nfs/dbraw/zinc/04/90/35/1029049035.db2.gz CUKAVPCCCNDKDU-ZDUSSCGKSA-N 1 0 339.386 4.317 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000445994545 1029061011 /nfs/dbraw/zinc/06/10/11/1029061011.db2.gz WXTVQMDFVPFLLL-ULQDDVLXSA-N 1 0 327.390 4.258 20 30 EIEDRO CC(C)CC[N@H+](CCC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000444223268 1029089067 /nfs/dbraw/zinc/08/90/67/1029089067.db2.gz HMTKWTKKGGVSBD-UHFFFAOYSA-N 1 0 337.467 4.430 20 30 EIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157719288 1029193704 /nfs/dbraw/zinc/19/37/04/1029193704.db2.gz JSKVPEBXVFYCPV-HUUCEWRRSA-N 1 0 338.442 4.447 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H](C)C#N ZINC000103469621 1029197313 /nfs/dbraw/zinc/19/73/13/1029197313.db2.gz OBTDHLVMSTYYOV-KRWDZBQOSA-N 1 0 335.451 4.164 20 30 EIEDRO C=CCCCN(C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000523001099 1029270289 /nfs/dbraw/zinc/27/02/89/1029270289.db2.gz NCWBYPWPBRMMSR-GOSISDBHSA-N 1 0 343.515 4.258 20 30 EIEDRO Cc1ccnc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C#N ZINC000343448189 1029272390 /nfs/dbraw/zinc/27/23/90/1029272390.db2.gz ZNKHEMIKHQSQBF-QGZVFWFLSA-N 1 0 334.467 4.248 20 30 EIEDRO C=CCN(Cc1nc2c(s1)C[N@H+](C(C)C)CC2)c1ccccc1 ZINC000475137788 1029286438 /nfs/dbraw/zinc/28/64/38/1029286438.db2.gz TTXWOUOZTBUQGJ-UHFFFAOYSA-N 1 0 327.497 4.102 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446571543 1029460071 /nfs/dbraw/zinc/46/00/71/1029460071.db2.gz JHEZRYUCHYFUFD-UHFFFAOYSA-N 1 0 343.515 4.391 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000475263673 1029480021 /nfs/dbraw/zinc/48/00/21/1029480021.db2.gz CROKFNZTFQKVBQ-GXTWGEPZSA-N 1 0 329.362 4.033 20 30 EIEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCCCC(C)(C)C#N)ccc2NC1=O ZINC000278564093 1029501562 /nfs/dbraw/zinc/50/15/62/1029501562.db2.gz BPRRRGQBCVSKSE-YOEHRIQHSA-N 1 0 343.471 4.167 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)cc1Cl ZINC000657819310 1029536882 /nfs/dbraw/zinc/53/68/82/1029536882.db2.gz STNNUQRWOKCJEM-LIRRHRJNSA-N 1 0 331.843 4.117 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000186318136 1029544856 /nfs/dbraw/zinc/54/48/56/1029544856.db2.gz VVKQLUWHKXMPKK-NRFANRHFSA-N 1 0 336.435 4.125 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+]CCc1cccc(C#N)c1)CCCS2 ZINC000343605237 1029584490 /nfs/dbraw/zinc/58/44/90/1029584490.db2.gz OHGWWORZHIRITC-LJQANCHMSA-N 1 0 338.476 4.326 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1)CC(C)C ZINC000525422063 1029633898 /nfs/dbraw/zinc/63/38/98/1029633898.db2.gz DTCAIHDMKYDQPA-UHFFFAOYSA-N 1 0 338.451 4.104 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)CC2 ZINC000584142717 1029646670 /nfs/dbraw/zinc/64/66/70/1029646670.db2.gz PAAMSPXWAJEZGI-IBGZPJMESA-N 1 0 326.827 4.005 20 30 EIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000584142010 1029647992 /nfs/dbraw/zinc/64/79/92/1029647992.db2.gz BSIUQORQVOUMCQ-UHFFFAOYSA-N 1 0 349.356 4.051 20 30 EIEDRO C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1ccc(OCC#N)cc1 ZINC000192942755 1029651423 /nfs/dbraw/zinc/65/14/23/1029651423.db2.gz LLLYGCKQSQTNCL-ZDUSSCGKSA-N 1 0 332.350 4.041 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000446976060 1029656162 /nfs/dbraw/zinc/65/61/62/1029656162.db2.gz FJXMXIKMPKFLAF-HNNXBMFYSA-N 1 0 326.362 4.143 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H]1CCCOC1 ZINC000193052309 1029696473 /nfs/dbraw/zinc/69/64/73/1029696473.db2.gz VVBZFMILVAVHKJ-HXUWFJFHSA-N 1 0 348.490 4.245 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000329734180 1029704058 /nfs/dbraw/zinc/70/40/58/1029704058.db2.gz KCKNFNOCJJHQHU-HUUCEWRRSA-N 1 0 343.471 4.404 20 30 EIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C12CCCCC2 ZINC000525640850 1029720672 /nfs/dbraw/zinc/72/06/72/1029720672.db2.gz FIGDLTJFEBYVJZ-MOPGFXCFSA-N 1 0 330.447 4.257 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2c(C#N)cnc3c(C)cc(C)cc32)CC1 ZINC000301393348 1029724484 /nfs/dbraw/zinc/72/44/84/1029724484.db2.gz JDTYHOJZBKTREX-UHFFFAOYSA-N 1 0 334.467 4.176 20 30 EIEDRO CC[N@H+](Cc1nc2ccccc2nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340669 1029738447 /nfs/dbraw/zinc/73/84/47/1029738447.db2.gz CTDXYVPQJMDIBP-INIZCTEOSA-N 1 0 330.435 4.393 20 30 EIEDRO C[NH+](C)[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)c1ccsc1 ZINC000475450808 1029779291 /nfs/dbraw/zinc/77/92/91/1029779291.db2.gz DGNTZZRXFUSRSS-HNNXBMFYSA-N 1 0 339.386 4.353 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000657850684 1029779728 /nfs/dbraw/zinc/77/97/28/1029779728.db2.gz KIAGACGJBFRKHZ-RLLQIKCJSA-N 1 0 342.483 4.029 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cc(C#N)n(C)c2)ccc1Oc1ccc(F)cc1 ZINC000480360914 1029866211 /nfs/dbraw/zinc/86/62/11/1029866211.db2.gz UUKRUUADXOACOJ-UHFFFAOYSA-N 1 0 349.409 4.426 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000584439765 1029869307 /nfs/dbraw/zinc/86/93/07/1029869307.db2.gz LXFACNHISBWVQE-FQEVSTJZSA-N 1 0 335.407 4.066 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000525833471 1030054675 /nfs/dbraw/zinc/05/46/75/1030054675.db2.gz BEBCORQQLGBTSH-WCHWRFHJSA-N 1 0 347.462 4.037 20 30 EIEDRO CC[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(C#N)cc1 ZINC000447533585 1030136440 /nfs/dbraw/zinc/13/64/40/1030136440.db2.gz RUAFIGMGIHFKPA-FQEVSTJZSA-N 1 0 344.462 4.413 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCCN(c2cccc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447536928 1030141993 /nfs/dbraw/zinc/14/19/93/1030141993.db2.gz RIKZQPWREOUKLR-UGKGYDQZSA-N 1 0 349.478 4.277 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000447540107 1030143635 /nfs/dbraw/zinc/14/36/35/1030143635.db2.gz ISVPJFGYLONBFB-OAQYLSRUSA-N 1 0 330.435 4.044 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000447544046 1030148437 /nfs/dbraw/zinc/14/84/37/1030148437.db2.gz SZMXZNMPWOEUMJ-VQTJNVASSA-N 1 0 325.431 4.041 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](c1ccco1)N(CC)CC)c1ccc(C#N)cc1 ZINC000447545930 1030150568 /nfs/dbraw/zinc/15/05/68/1030150568.db2.gz ZIMYZYIPAFEYHC-MOPGFXCFSA-N 1 0 325.456 4.275 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC000447564200 1030175839 /nfs/dbraw/zinc/17/58/39/1030175839.db2.gz VURFAJMHXFJVBB-DNVCBOLYSA-N 1 0 339.508 4.107 20 30 EIEDRO CC[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000447589640 1030193409 /nfs/dbraw/zinc/19/34/09/1030193409.db2.gz YSZHWALTQRNUNV-INIZCTEOSA-N 1 0 325.481 4.177 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccnn1C ZINC000447593087 1030195035 /nfs/dbraw/zinc/19/50/35/1030195035.db2.gz PWACUBKUTVVWQY-HZPDHXFCSA-N 1 0 330.435 4.371 20 30 EIEDRO CCOc1ccccc1OCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000441284777 1030215447 /nfs/dbraw/zinc/21/54/47/1030215447.db2.gz XLSHCVKQFBOMAW-UHFFFAOYSA-N 1 0 338.451 4.246 20 30 EIEDRO C[C@H]1CN(CCCC(C)(C)C#N)C(C)(C)C[N@@H+]1CCCC(C)(C)C#N ZINC000451080516 1030218803 /nfs/dbraw/zinc/21/88/03/1030218803.db2.gz JGVFDCCHJIWCSE-SFHVURJKSA-N 1 0 346.563 4.431 20 30 EIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(CC#N)cc1)CCC2 ZINC000544067026 1030243913 /nfs/dbraw/zinc/24/39/13/1030243913.db2.gz MPRYHIBKPJCHIT-QGZVFWFLSA-N 1 0 325.481 4.281 20 30 EIEDRO CC[N@H+](C)C[C@H]1CCN(c2c(C#N)cnc3ccc(C(C)C)cc32)C1 ZINC000447681661 1030270638 /nfs/dbraw/zinc/27/06/38/1030270638.db2.gz QJQNNICZMHQGPE-MRXNPFEDSA-N 1 0 336.483 4.008 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186447994 1030273659 /nfs/dbraw/zinc/27/36/59/1030273659.db2.gz AODHHFFSVHKSKL-JOCHJYFZSA-N 1 0 348.446 4.001 20 30 EIEDRO CC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000526135885 1030294220 /nfs/dbraw/zinc/29/42/20/1030294220.db2.gz OVJQSNGXYMFDTE-OXQOHEQNSA-N 1 0 341.499 4.049 20 30 EIEDRO C=C(C)CN1CCC([NH2+]C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000685423110 1030302435 /nfs/dbraw/zinc/30/24/35/1030302435.db2.gz ZKWODQFRCHIAEE-HNNXBMFYSA-N 1 0 340.433 4.439 20 30 EIEDRO CC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508606177 1030316270 /nfs/dbraw/zinc/31/62/70/1030316270.db2.gz UVLPBZAHJLEYPX-MRXNPFEDSA-N 1 0 348.425 4.466 20 30 EIEDRO COC[C@]1(C)CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000451201263 1030317827 /nfs/dbraw/zinc/31/78/27/1030317827.db2.gz JABFCELHDIMENT-JOCHJYFZSA-N 1 0 348.490 4.245 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cc(Br)ccc1F)c1ccccc1 ZINC000756998007 1030340343 /nfs/dbraw/zinc/34/03/43/1030340343.db2.gz QALAUNIOOOGMOJ-KRWDZBQOSA-N 1 0 332.216 4.442 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451300796 1030371727 /nfs/dbraw/zinc/37/17/27/1030371727.db2.gz WGAZTVQYIWMORR-ZFWWWQNUSA-N 1 0 326.362 4.168 20 30 EIEDRO CC(C)(C)c1cnc(C[NH2+]CCSCc2ccccc2C#N)s1 ZINC000447928742 1030445267 /nfs/dbraw/zinc/44/52/67/1030445267.db2.gz ILSLGILLIPMKAA-UHFFFAOYSA-N 1 0 345.537 4.335 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000527053691 1030446019 /nfs/dbraw/zinc/44/60/19/1030446019.db2.gz XZBFSMLJWJSCDP-UHFFFAOYSA-N 1 0 341.842 4.306 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000024254235 1030508833 /nfs/dbraw/zinc/50/88/33/1030508833.db2.gz DNQYFPJFURYCCP-KRWDZBQOSA-N 1 0 347.890 4.066 20 30 EIEDRO C=CCCC[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000448032882 1030527602 /nfs/dbraw/zinc/52/76/02/1030527602.db2.gz XMXQEXKSULIAMV-MRXNPFEDSA-N 1 0 326.278 4.473 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000657915705 1030553979 /nfs/dbraw/zinc/55/39/79/1030553979.db2.gz NJCMJHFXELPPNE-PXNSSMCTSA-N 1 0 326.484 4.034 20 30 EIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000530624153 1030598252 /nfs/dbraw/zinc/59/82/52/1030598252.db2.gz RDXYYIQVFHIBBV-UHFFFAOYSA-N 1 0 339.277 4.066 20 30 EIEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000657925221 1030610785 /nfs/dbraw/zinc/61/07/85/1030610785.db2.gz BLLDSHBQGZRZCO-OAHLLOKOSA-N 1 0 329.440 4.100 20 30 EIEDRO C=C(C)[C@@H]([NH2+][C@@H](COC)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000657983346 1030744831 /nfs/dbraw/zinc/74/48/31/1030744831.db2.gz SMHYQLJXIPACTA-VQIMIIECSA-N 1 0 339.426 4.003 20 30 EIEDRO CCC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000508608574 1030789066 /nfs/dbraw/zinc/78/90/66/1030789066.db2.gz KVCYSHQSPPUZIZ-UHFFFAOYSA-N 1 0 330.435 4.361 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(OCC)c(OC)cc2F)cc1 ZINC000527707172 1030821304 /nfs/dbraw/zinc/82/13/04/1030821304.db2.gz IRQVOYYBUZTAIC-UHFFFAOYSA-N 1 0 345.414 4.088 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)c(Cl)c1 ZINC000452063573 1030827318 /nfs/dbraw/zinc/82/73/18/1030827318.db2.gz XCEBYIWYYBMXCP-QGZVFWFLSA-N 1 0 346.883 4.267 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000531012734 1030835001 /nfs/dbraw/zinc/83/50/01/1030835001.db2.gz YPNQZACZYQORRK-UHFFFAOYSA-N 1 0 349.459 4.236 20 30 EIEDRO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000127604340 1030837001 /nfs/dbraw/zinc/83/70/01/1030837001.db2.gz RUEYKFOFDPGLSQ-YESZJQIVSA-N 1 0 349.478 4.037 20 30 EIEDRO N#CCCn1cc(C[NH2+]CC[C@@H]2CC=CCC2)c(-c2ccccc2)n1 ZINC000527785379 1030847352 /nfs/dbraw/zinc/84/73/52/1030847352.db2.gz AOYIQPFTIILPCE-GOSISDBHSA-N 1 0 334.467 4.300 20 30 EIEDRO C=CCC1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000448563369 1030849505 /nfs/dbraw/zinc/84/95/05/1030849505.db2.gz NCWNAMQCJXMNED-UHFFFAOYSA-N 1 0 340.511 4.294 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3ccccn3)C3CCC3)CC2)cc1 ZINC000527773944 1030852693 /nfs/dbraw/zinc/85/26/93/1030852693.db2.gz VPOGPHZMEUBKTJ-JOCHJYFZSA-N 1 0 346.478 4.053 20 30 EIEDRO CC(C)c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000527809725 1030854915 /nfs/dbraw/zinc/85/49/15/1030854915.db2.gz FNROTWQKDGFEQL-UHFFFAOYSA-N 1 0 334.463 4.477 20 30 EIEDRO N#Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000531103745 1030877562 /nfs/dbraw/zinc/87/75/62/1030877562.db2.gz QTXTXYTZQFKFHT-QHCPKHFHSA-N 1 0 345.490 4.046 20 30 EIEDRO C=CCCC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452450769 1031032458 /nfs/dbraw/zinc/03/24/58/1031032458.db2.gz ISQWUGLRZVAUDL-NRFANRHFSA-N 1 0 340.511 4.102 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191532350 1031054328 /nfs/dbraw/zinc/05/43/28/1031054328.db2.gz GHHZVCSGBXHSCJ-DYVFJYSZSA-N 1 0 338.289 4.471 20 30 EIEDRO CC[N@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000179463198 1031078369 /nfs/dbraw/zinc/07/83/69/1031078369.db2.gz TZQLAXMLILAXHI-QGZVFWFLSA-N 1 0 345.450 4.031 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 ZINC000188346452 1031141888 /nfs/dbraw/zinc/14/18/88/1031141888.db2.gz GUQPLWIDSVWYHQ-UHFFFAOYSA-N 1 0 347.462 4.070 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000532504800 1031224485 /nfs/dbraw/zinc/22/44/85/1031224485.db2.gz ZZIAKXJEQUNSSM-IBGZPJMESA-N 1 0 325.477 4.372 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccccc2N(C)C)ccc1OC ZINC000531490035 1031299150 /nfs/dbraw/zinc/29/91/50/1031299150.db2.gz UDMWRVFEUQGDKX-UHFFFAOYSA-N 1 0 340.467 4.006 20 30 EIEDRO Cc1ccc(O[C@H](C)C[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000237550951 1031334965 /nfs/dbraw/zinc/33/49/65/1031334965.db2.gz VOTATHLSJZATTL-GOSISDBHSA-N 1 0 338.451 4.235 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000449085921 1031415457 /nfs/dbraw/zinc/41/54/57/1031415457.db2.gz PSLPCNCZSQWREK-UHFFFAOYSA-N 1 0 326.362 4.190 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531616781 1031430338 /nfs/dbraw/zinc/43/03/38/1031430338.db2.gz UKRRAXCOJSRMJQ-DOTOQJQBSA-N 1 0 328.456 4.063 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531616784 1031431798 /nfs/dbraw/zinc/43/17/98/1031431798.db2.gz UKRRAXCOJSRMJQ-WBVHZDCISA-N 1 0 328.456 4.063 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531616782 1031433374 /nfs/dbraw/zinc/43/33/74/1031433374.db2.gz UKRRAXCOJSRMJQ-NVXWUHKLSA-N 1 0 328.456 4.063 20 30 EIEDRO C=CCC1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCCC1 ZINC000449114076 1031473304 /nfs/dbraw/zinc/47/33/04/1031473304.db2.gz CCHDTQIGOYDFIH-UHFFFAOYSA-N 1 0 326.484 4.035 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC000449179422 1031516510 /nfs/dbraw/zinc/51/65/10/1031516510.db2.gz ZMWWQTDOUHVATP-UHFFFAOYSA-N 1 0 328.456 4.204 20 30 EIEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000190443574 1031517952 /nfs/dbraw/zinc/51/79/52/1031517952.db2.gz NJIMLCSZNODMBC-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000612489837 1031580928 /nfs/dbraw/zinc/58/09/28/1031580928.db2.gz UCNYEGHKWCJINL-QWHCGFSZSA-N 1 0 333.357 4.254 20 30 EIEDRO C[C@@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCCN1Cc1ccccc1 ZINC000449260004 1031599355 /nfs/dbraw/zinc/59/93/55/1031599355.db2.gz ULACJBSIHITZHG-CBNMVNINSA-N 1 0 325.500 4.103 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)C2CCCCC2)ccc1OC ZINC000177332024 1031614277 /nfs/dbraw/zinc/61/42/77/1031614277.db2.gz SVYBKQMWCCVALN-YJBOKZPZSA-N 1 0 330.472 4.435 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(C#N)cc1 ZINC000548935952 1031614992 /nfs/dbraw/zinc/61/49/92/1031614992.db2.gz DRYLTHFIPPWGFB-LLVKDONJSA-N 1 0 348.233 4.154 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccncc2OCc2ccccc2)CC1 ZINC000449313555 1031629149 /nfs/dbraw/zinc/62/91/49/1031629149.db2.gz ACXFFNBODZWFPG-UHFFFAOYSA-N 1 0 335.451 4.223 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cc(F)c(F)cc2Br)CC1 ZINC000449321403 1031636305 /nfs/dbraw/zinc/63/63/05/1031636305.db2.gz LYCBKQIEWUABRI-UHFFFAOYSA-N 1 0 343.215 4.289 20 30 EIEDRO CCOC(=O)c1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)[nH]c1C ZINC000449340914 1031637457 /nfs/dbraw/zinc/63/74/57/1031637457.db2.gz RDAHJDUHJBWLLB-LJQANCHMSA-N 1 0 339.439 4.025 20 30 EIEDRO CC(C)(C)c1ncc2c(n1)CCN(Cc1ccccc1C(C)(C)C#N)C2 ZINC000528590781 1031679738 /nfs/dbraw/zinc/67/97/38/1031679738.db2.gz AUKWGNRFHHDJMQ-UHFFFAOYSA-N 1 0 348.494 4.134 20 30 EIEDRO CC(C)(C)OC(=O)CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449358127 1031679896 /nfs/dbraw/zinc/67/98/96/1031679896.db2.gz DXJYGXIXGBFAJL-GUDVDZBRSA-N 1 0 342.483 4.001 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453208842 1031726044 /nfs/dbraw/zinc/72/60/44/1031726044.db2.gz HITYBVHWVLFWJV-YEYPGUGLSA-N 1 0 346.902 4.350 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000449447394 1031741130 /nfs/dbraw/zinc/74/11/30/1031741130.db2.gz YLKOIOUMPISVAI-NHYWBVRUSA-N 1 0 337.250 4.441 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc(OC)c1O ZINC000449456195 1031753596 /nfs/dbraw/zinc/75/35/96/1031753596.db2.gz CHPNDTXHIUBQCA-SWLSCSKDSA-N 1 0 343.389 4.292 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccc(Br)cc32)C1 ZINC000453284688 1031804659 /nfs/dbraw/zinc/80/46/59/1031804659.db2.gz BLAROERPOHAFSB-NUTKFTJISA-N 1 0 333.273 4.498 20 30 EIEDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000449498633 1031807656 /nfs/dbraw/zinc/80/76/56/1031807656.db2.gz SEWVUBGOVHUKFW-YOEHRIQHSA-N 1 0 340.389 4.118 20 30 EIEDRO COC[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000453328660 1031822723 /nfs/dbraw/zinc/82/27/23/1031822723.db2.gz VGDUHKZXOLNZHC-FXAWDEMLSA-N 1 0 340.854 4.219 20 30 EIEDRO C=CCOc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000449524053 1031823012 /nfs/dbraw/zinc/82/30/12/1031823012.db2.gz ZNGXGAICEQPVJE-UXHICEINSA-N 1 0 327.468 4.033 20 30 EIEDRO C=CC(C)(C)C[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000453303212 1031829358 /nfs/dbraw/zinc/82/93/58/1031829358.db2.gz BSPXCNXDKVJCQM-MRXNPFEDSA-N 1 0 346.272 4.130 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1Cl ZINC000531940366 1031852257 /nfs/dbraw/zinc/85/22/57/1031852257.db2.gz SAORKUUJOVYAQK-AWEZNQCLSA-N 1 0 341.842 4.027 20 30 EIEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000531957442 1031875448 /nfs/dbraw/zinc/87/54/48/1031875448.db2.gz GKOOGAYRNLGAFQ-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000453351142 1031877776 /nfs/dbraw/zinc/87/77/76/1031877776.db2.gz JEMITIQRNRCQDJ-XZJROXQQSA-N 1 0 332.444 4.252 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000453355367 1031884304 /nfs/dbraw/zinc/88/43/04/1031884304.db2.gz LIGYREWAZRDARZ-KFWWJZLASA-N 1 0 331.403 4.043 20 30 EIEDRO C=CCC1(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CCCC1 ZINC000453386441 1031897100 /nfs/dbraw/zinc/89/71/00/1031897100.db2.gz VJOCSYDGKSZZJT-UYAOXDASSA-N 1 0 327.516 4.018 20 30 EIEDRO COCCC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000453362535 1031900108 /nfs/dbraw/zinc/90/01/08/1031900108.db2.gz BFUJDTKQCOPSRK-IBGZPJMESA-N 1 0 330.378 4.094 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(F)c1 ZINC000531971015 1031909590 /nfs/dbraw/zinc/90/95/90/1031909590.db2.gz IFGRDZYXZAESIO-RDTXWAMCSA-N 1 0 341.405 4.156 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000453375569 1031921895 /nfs/dbraw/zinc/92/18/95/1031921895.db2.gz JIJBXZYZBZSIQX-MJEQTWJJSA-N 1 0 330.428 4.330 20 30 EIEDRO Cc1ccc(NCc2cccc(OCCCC#N)c2)c(C[NH+](C)C)c1 ZINC000132668499 1031931434 /nfs/dbraw/zinc/93/14/34/1031931434.db2.gz ACVIVMDRWDEGLQ-UHFFFAOYSA-N 1 0 337.467 4.351 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c1 ZINC000449710504 1031946595 /nfs/dbraw/zinc/94/65/95/1031946595.db2.gz ARZZEKHTGJWEJB-UHFFFAOYSA-N 1 0 337.463 4.133 20 30 EIEDRO CC1(C)C[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC000453416000 1031952786 /nfs/dbraw/zinc/95/27/86/1031952786.db2.gz JRDNLHGRVKWXEL-OCDPCBSRSA-N 1 0 326.484 4.185 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)ccc1C#N ZINC000453624950 1032035251 /nfs/dbraw/zinc/03/52/51/1032035251.db2.gz YKVKYTLKTLFMIP-NRFANRHFSA-N 1 0 334.463 4.250 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)cc1 ZINC000512570871 1033382369 /nfs/dbraw/zinc/38/23/69/1033382369.db2.gz ZZFCUNNHBQLRQZ-HXUWFJFHSA-N 1 0 340.854 4.469 20 30 EIEDRO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1F ZINC000512610777 1033492445 /nfs/dbraw/zinc/49/24/45/1033492445.db2.gz DURCOWNBIMWLLW-OAHLLOKOSA-N 1 0 329.463 4.145 20 30 EIEDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610805 1033492541 /nfs/dbraw/zinc/49/25/41/1033492541.db2.gz FCFKHLOABJQYCA-LRDNONRASA-N 1 0 342.414 4.133 20 30 EIEDRO C[C@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1F ZINC000512620591 1033507183 /nfs/dbraw/zinc/50/71/83/1033507183.db2.gz RFSABJAKKVQEDI-LBPRGKRZSA-N 1 0 331.460 4.345 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000614171166 1033578928 /nfs/dbraw/zinc/57/89/28/1033578928.db2.gz DYEORURWMGDKCJ-JOCHJYFZSA-N 1 0 348.490 4.321 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1F ZINC000512636900 1033582041 /nfs/dbraw/zinc/58/20/41/1033582041.db2.gz PNTXICSDGRSIFB-BBRMVZONSA-N 1 0 343.833 4.280 20 30 EIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614179721 1033609212 /nfs/dbraw/zinc/60/92/12/1033609212.db2.gz KVZIVOHVTKKPMS-OAHLLOKOSA-N 1 0 335.451 4.297 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(-n2cccn2)cc1 ZINC000512653288 1033618486 /nfs/dbraw/zinc/61/84/86/1033618486.db2.gz DLKIYUAZNWRGKP-HUUCEWRRSA-N 1 0 334.398 4.295 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(-n2cccn2)cc1 ZINC000512653286 1033620836 /nfs/dbraw/zinc/62/08/36/1033620836.db2.gz DLKIYUAZNWRGKP-GJZGRUSLSA-N 1 0 334.398 4.295 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512655480 1033625921 /nfs/dbraw/zinc/62/59/21/1033625921.db2.gz USQRLSYNNYPSDF-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666054 1033664566 /nfs/dbraw/zinc/66/45/66/1033664566.db2.gz IJBWLFVHDMZQSX-IERDGZPVSA-N 1 0 337.442 4.185 20 30 EIEDRO C[C@H](CCN[C@@H](C)c1ccc(C#N)cc1F)[N@H+](C)Cc1ccccc1 ZINC000512667025 1033667884 /nfs/dbraw/zinc/66/78/84/1033667884.db2.gz NPHKPTKPOGHIPH-SJORKVTESA-N 1 0 339.458 4.259 20 30 EIEDRO CN(CC1CCCCC1)C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433032734 1033703576 /nfs/dbraw/zinc/70/35/76/1033703576.db2.gz MZHGIPXGEKFJNB-FQEVSTJZSA-N 1 0 341.499 4.050 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000433192947 1034017514 /nfs/dbraw/zinc/01/75/14/1034017514.db2.gz IIYBJKDXQLVEJP-FQEVSTJZSA-N 1 0 336.479 4.258 20 30 EIEDRO N#CC1(CC[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)CCCCC1 ZINC000411739966 1034059237 /nfs/dbraw/zinc/05/92/37/1034059237.db2.gz BBCJCBAWRVBSQU-QFIPXVFZSA-N 1 0 340.511 4.168 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000512845231 1034065734 /nfs/dbraw/zinc/06/57/34/1034065734.db2.gz RXIPGCMHUGLWSJ-INIZCTEOSA-N 1 0 342.389 4.286 20 30 EIEDRO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419319699 1034251498 /nfs/dbraw/zinc/25/14/98/1034251498.db2.gz CYPRVXTWKBXKAB-DLBZAZTESA-N 1 0 338.455 4.255 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000614402528 1034550915 /nfs/dbraw/zinc/55/09/15/1034550915.db2.gz HURVORRZQRPXAE-JOCHJYFZSA-N 1 0 334.463 4.090 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000614405683 1034553628 /nfs/dbraw/zinc/55/36/28/1034553628.db2.gz BNZBHOPVBZXSFE-SFTDATJTSA-N 1 0 338.426 4.358 20 30 EIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000120594972 1034637601 /nfs/dbraw/zinc/63/76/01/1034637601.db2.gz IZQGWRAJESIUJD-UHFFFAOYSA-N 1 0 347.418 4.088 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1 ZINC000729268351 1034769318 /nfs/dbraw/zinc/76/93/18/1034769318.db2.gz ZLJMDLAEXAHLNC-GOSISDBHSA-N 1 0 340.854 4.449 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120652131 1034792209 /nfs/dbraw/zinc/79/22/09/1034792209.db2.gz FDUKSJSWIRQFAF-OAHLLOKOSA-N 1 0 330.435 4.375 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513257054 1034861292 /nfs/dbraw/zinc/86/12/92/1034861292.db2.gz OZIQFSPFMXRBMJ-QFBILLFUSA-N 1 0 336.435 4.029 20 30 EIEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000513412800 1034931353 /nfs/dbraw/zinc/93/13/53/1034931353.db2.gz CNQLDIRWTZPXGP-IBGZPJMESA-N 1 0 333.435 4.048 20 30 EIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2nc(C(F)(F)F)cs2)c1 ZINC000262529599 1034936958 /nfs/dbraw/zinc/93/69/58/1034936958.db2.gz MTMMBAMLOOOWES-UHFFFAOYSA-N 1 0 342.390 4.212 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000182629336 1034965605 /nfs/dbraw/zinc/96/56/05/1034965605.db2.gz LPKSVOZWOYPLTL-AWEZNQCLSA-N 1 0 336.391 4.043 20 30 EIEDRO C=C1CC[NH+](Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000513485444 1034979813 /nfs/dbraw/zinc/97/98/13/1034979813.db2.gz QJVOYEHVBMWMDT-UHFFFAOYSA-N 1 0 329.875 4.354 20 30 EIEDRO C=C1CC[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000513502792 1035000352 /nfs/dbraw/zinc/00/03/52/1035000352.db2.gz FSPYLBSEUVBLIJ-UHFFFAOYSA-N 1 0 328.368 4.015 20 30 EIEDRO N#Cc1cnc(NCC2([NH+]3CCCCC3)CCCCC2)c(Cl)c1 ZINC000513644611 1035084546 /nfs/dbraw/zinc/08/45/46/1035084546.db2.gz DBTNGTMHVGBIHW-UHFFFAOYSA-N 1 0 332.879 4.207 20 30 EIEDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000513647617 1035087079 /nfs/dbraw/zinc/08/70/79/1035087079.db2.gz KWVFIBKIIBGBBX-HOCLYGCPSA-N 1 0 338.451 4.166 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)c1ccco1 ZINC000513683279 1035100743 /nfs/dbraw/zinc/10/07/43/1035100743.db2.gz IWDRRKVNAJBGGY-WBVHZDCISA-N 1 0 330.497 4.385 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501139228 1035385648 /nfs/dbraw/zinc/38/56/48/1035385648.db2.gz HPLNLCDWUFKPLK-UHFFFAOYSA-N 1 0 336.435 4.146 20 30 EIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000501200184 1035396474 /nfs/dbraw/zinc/39/64/74/1035396474.db2.gz BVGDDPDVOFOIJD-FQEVSTJZSA-N 1 0 336.435 4.085 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C2CCCCCC2)c1C ZINC000501405890 1035440739 /nfs/dbraw/zinc/44/07/39/1035440739.db2.gz LOHYJHZWZRPGJJ-UHFFFAOYSA-N 1 0 341.499 4.205 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000280764019 1035444729 /nfs/dbraw/zinc/44/47/29/1035444729.db2.gz ZACBLHKRGLWZLN-MJVIPROJSA-N 1 0 330.291 4.142 20 30 EIEDRO Cn1cc(CC[NH2+]Cc2cccc(OCCCC#N)c2)c2ccccc21 ZINC000594982585 1035513178 /nfs/dbraw/zinc/51/31/78/1035513178.db2.gz ASFWXPOTGKVZFO-UHFFFAOYSA-N 1 0 347.462 4.193 20 30 EIEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)o1 ZINC000594983161 1035516067 /nfs/dbraw/zinc/51/60/67/1035516067.db2.gz GHRTUSJCYNBAGG-HNAYVOBHSA-N 1 0 336.435 4.070 20 30 EIEDRO C[C@]1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1(F)F ZINC000594986038 1035519463 /nfs/dbraw/zinc/51/94/63/1035519463.db2.gz RUFKWPSOWXDOGX-LJQANCHMSA-N 1 0 342.389 4.272 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(C(F)F)nc1 ZINC000595007186 1035532922 /nfs/dbraw/zinc/53/29/22/1035532922.db2.gz KXHHIBVEIODURH-ZDUSSCGKSA-N 1 0 347.434 4.475 20 30 EIEDRO C=CCCSCC[NH2+][C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000595060603 1035541647 /nfs/dbraw/zinc/54/16/47/1035541647.db2.gz WOIRCTCGPQHHTN-OAHLLOKOSA-N 1 0 335.517 4.176 20 30 EIEDRO COc1cc2ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc2cc1OC ZINC000595049512 1035568098 /nfs/dbraw/zinc/56/80/98/1035568098.db2.gz CPVXMBWMALLPPL-AWEZNQCLSA-N 1 0 326.440 4.447 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCc1noc2ccccc12 ZINC000595050581 1035571249 /nfs/dbraw/zinc/57/12/49/1035571249.db2.gz SFMIUDPWRSCDLB-IBGZPJMESA-N 1 0 331.419 4.299 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C#N)CCCCC2)c(Cl)c1 ZINC000595091228 1035596174 /nfs/dbraw/zinc/59/61/74/1035596174.db2.gz OHUXWPSSQZLGEX-HNNXBMFYSA-N 1 0 347.890 4.429 20 30 EIEDRO CCOc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1OC(F)F ZINC000046776913 1035654847 /nfs/dbraw/zinc/65/48/47/1035654847.db2.gz HQFXWQXMXWRGHN-UHFFFAOYSA-N 1 0 346.377 4.190 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CCc2ccc(C#N)cc2)ccc1OC(C)C ZINC000595415962 1035673903 /nfs/dbraw/zinc/67/39/03/1035673903.db2.gz OXZCLNLDEJRQBW-INIZCTEOSA-N 1 0 338.451 4.247 20 30 EIEDRO C[C@H](N[C@H](C#N)c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595430695 1035677314 /nfs/dbraw/zinc/67/73/14/1035677314.db2.gz KOHBAILXDNLRPW-ZSZQSSIHSA-N 1 0 331.891 4.147 20 30 EIEDRO CC[C@H](CC(F)F)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000595485428 1035682027 /nfs/dbraw/zinc/68/20/27/1035682027.db2.gz ZAAQBMBIQWSHBK-CYBMUJFWSA-N 1 0 340.389 4.222 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000595552045 1035702849 /nfs/dbraw/zinc/70/28/49/1035702849.db2.gz OGSLEVMAYOXRDN-UHFFFAOYSA-N 1 0 344.462 4.084 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)c(F)c1 ZINC000595552454 1035703030 /nfs/dbraw/zinc/70/30/30/1035703030.db2.gz VWESQWVUFGIWHL-UHFFFAOYSA-N 1 0 348.425 4.028 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)c1F ZINC000595551328 1035703505 /nfs/dbraw/zinc/70/35/05/1035703505.db2.gz IOXNNGCSUJLFNN-UHFFFAOYSA-N 1 0 348.425 4.028 20 30 EIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cc(C#N)cs1 ZINC000151350660 1035711514 /nfs/dbraw/zinc/71/15/14/1035711514.db2.gz NPFDEMGJIMCSBC-UHFFFAOYSA-N 1 0 336.464 4.219 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000595620768 1035735951 /nfs/dbraw/zinc/73/59/51/1035735951.db2.gz QGFHEKCJZVZSRE-HNNXBMFYSA-N 1 0 340.858 4.231 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)c1 ZINC000151372494 1035741049 /nfs/dbraw/zinc/74/10/49/1035741049.db2.gz FYDSWNXDEHKXAD-KRWDZBQOSA-N 1 0 345.215 4.237 20 30 EIEDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccsc1 ZINC000595600550 1035746885 /nfs/dbraw/zinc/74/68/85/1035746885.db2.gz HMGXNIILROVGLI-UHFFFAOYSA-N 1 0 341.480 4.249 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000595615084 1035748049 /nfs/dbraw/zinc/74/80/49/1035748049.db2.gz OWQZZWRTUPWUPV-SIEGMDDESA-N 1 0 333.273 4.478 20 30 EIEDRO Cc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cc(C)[nH+]1 ZINC001168407931 1035750862 /nfs/dbraw/zinc/75/08/62/1035750862.db2.gz NECXOARUWFRHRG-UHFFFAOYSA-N 1 0 326.399 4.297 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595612153 1035753158 /nfs/dbraw/zinc/75/31/58/1035753158.db2.gz SHISZLNKQOHQIF-OAHLLOKOSA-N 1 0 340.389 4.490 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000595677884 1035763399 /nfs/dbraw/zinc/76/33/99/1035763399.db2.gz WCAHCOCTRIRNIB-FQEVSTJZSA-N 1 0 349.434 4.097 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cc(F)ccc3Cl)CCOCC2)c1 ZINC000595768769 1035778056 /nfs/dbraw/zinc/77/80/56/1035778056.db2.gz KRKRAYCQFFGJQP-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO C[C@]1(C#N)CC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000595840203 1035796632 /nfs/dbraw/zinc/79/66/32/1035796632.db2.gz OSXPBLJSRDNKRO-MRXNPFEDSA-N 1 0 326.362 4.100 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CC3CCC3)o2)cc1 ZINC000595870721 1035804310 /nfs/dbraw/zinc/80/43/10/1035804310.db2.gz JXMWASUYHUMVAS-SFHVURJKSA-N 1 0 336.439 4.153 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3ccccc3-n3ccnc31)CC2 ZINC000596095354 1035821145 /nfs/dbraw/zinc/82/11/45/1035821145.db2.gz PQQDPXWJOAECQM-PMACEKPBSA-N 1 0 340.430 4.008 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000586774193 1035834732 /nfs/dbraw/zinc/83/47/32/1035834732.db2.gz FPNAUULTKKXGKM-MRXNPFEDSA-N 1 0 345.368 4.352 20 30 EIEDRO C=CC[N@H+](Cc1cc(C)ccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000596211234 1035835230 /nfs/dbraw/zinc/83/52/30/1035835230.db2.gz MMKTUMUMBOJXFH-GOSISDBHSA-N 1 0 347.466 4.028 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000586780136 1035844806 /nfs/dbraw/zinc/84/48/06/1035844806.db2.gz NTOPUVMBXDNXRR-GOSISDBHSA-N 1 0 349.261 4.387 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000060090442 1035845814 /nfs/dbraw/zinc/84/58/14/1035845814.db2.gz FQNQFGUJJCOCMH-UHFFFAOYSA-N 1 0 347.462 4.189 20 30 EIEDRO C=CCSc1ccccc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000485462780 1035896595 /nfs/dbraw/zinc/89/65/95/1035896595.db2.gz OCKWXYRBUNJTQT-GOSISDBHSA-N 1 0 346.540 4.205 20 30 EIEDRO CCN(Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000060197831 1035896675 /nfs/dbraw/zinc/89/66/75/1035896675.db2.gz XIRFCCWZFOGPLX-AVRDEDQJSA-N 1 0 333.479 4.216 20 30 EIEDRO CC(C)Oc1ccc(CC#N)cc1-c1cc(C[NH+](C)C)ccc1F ZINC000596640433 1035958104 /nfs/dbraw/zinc/95/81/04/1035958104.db2.gz JDLGHZAUHBDBFM-UHFFFAOYSA-N 1 0 326.415 4.408 20 30 EIEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(OC3CCCC3)CC2)c1O ZINC000164243006 1036002819 /nfs/dbraw/zinc/00/28/19/1036002819.db2.gz HWUFABSAPUIXBA-UHFFFAOYSA-N 1 0 345.483 4.053 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2cnc(C3CCCCC3)s2)c1 ZINC000571255256 1036012826 /nfs/dbraw/zinc/01/28/26/1036012826.db2.gz HBRSBHDFANSZHR-UHFFFAOYSA-N 1 0 325.481 4.395 20 30 EIEDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596992670 1036072708 /nfs/dbraw/zinc/07/27/08/1036072708.db2.gz DWDQHNHAQOWITJ-UHFFFAOYSA-N 1 0 333.479 4.497 20 30 EIEDRO N#CC1(c2ccc(C[NH+]3CC(Cc4ccc(F)c(F)c4)C3)cc2)CC1 ZINC000597145878 1036124224 /nfs/dbraw/zinc/12/42/24/1036124224.db2.gz JRUNYCMTPQTELE-UHFFFAOYSA-N 1 0 338.401 4.194 20 30 EIEDRO CCCCOc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1OCC ZINC000597174295 1036140264 /nfs/dbraw/zinc/14/02/64/1036140264.db2.gz OUBCWFVWVBVTKU-KRWDZBQOSA-N 1 0 330.472 4.390 20 30 EIEDRO N#CCCCCCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000588153472 1036247659 /nfs/dbraw/zinc/24/76/59/1036247659.db2.gz WQHZUJNDEMCDTR-UHFFFAOYSA-N 1 0 327.472 4.128 20 30 EIEDRO C=CCC1([NH2+][C@@H](C)Cc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000668551741 1036277699 /nfs/dbraw/zinc/27/76/99/1036277699.db2.gz VMWOXHIEDGEQHZ-AWEZNQCLSA-N 1 0 327.390 4.351 20 30 EIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)s2)c(OCCC)c1 ZINC000421350513 1036294569 /nfs/dbraw/zinc/29/45/69/1036294569.db2.gz LBCGMLQPALQQQH-UHFFFAOYSA-N 1 0 344.480 4.487 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2CC(c3ccc(Br)cc3)C2)s1 ZINC000421355442 1036296949 /nfs/dbraw/zinc/29/69/49/1036296949.db2.gz ZFIAVCRWVWMJGY-UHFFFAOYSA-N 1 0 347.281 4.418 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCCn2ccnc2C)cc1 ZINC000164709224 1036307825 /nfs/dbraw/zinc/30/78/25/1036307825.db2.gz ZSSYDEONAUYGSY-INIZCTEOSA-N 1 0 347.890 4.454 20 30 EIEDRO FC(F)O[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000502577997 1036375492 /nfs/dbraw/zinc/37/54/92/1036375492.db2.gz GRYUSKCPSUYETP-HUUCEWRRSA-N 1 0 347.327 4.197 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)cc1 ZINC000060754831 1036413171 /nfs/dbraw/zinc/41/31/71/1036413171.db2.gz GFARWZIFESPSRB-UHFFFAOYSA-N 1 0 331.394 4.468 20 30 EIEDRO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC000156839769 1036438838 /nfs/dbraw/zinc/43/88/38/1036438838.db2.gz RHQQSYSTSBODQX-QGZVFWFLSA-N 1 0 337.467 4.066 20 30 EIEDRO C[C@H](CCC#N)C[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000602458498 1036456746 /nfs/dbraw/zinc/45/67/46/1036456746.db2.gz MUAYJBGMFORKFX-FZKQIMNGSA-N 1 0 345.874 4.028 20 30 EIEDRO CC[NH+](CC)Cc1cccc(N[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602482363 1036461666 /nfs/dbraw/zinc/46/16/66/1036461666.db2.gz APYJYXAUERCQCA-KRWDZBQOSA-N 1 0 329.488 4.039 20 30 EIEDRO Cc1cccc(C)c1OC[C@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)C ZINC000572274471 1036483747 /nfs/dbraw/zinc/48/37/47/1036483747.db2.gz CJEUITJUYPIEDY-ROUUACIJSA-N 1 0 327.472 4.130 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000602512617 1036487226 /nfs/dbraw/zinc/48/72/26/1036487226.db2.gz WKQJGKQXHZBSIB-WMLDXEAASA-N 1 0 337.870 4.145 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000602548970 1036490470 /nfs/dbraw/zinc/49/04/70/1036490470.db2.gz XVDYFNZWLRVBAY-QGZVFWFLSA-N 1 0 344.499 4.051 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)c1ccccc1Cl ZINC000602528201 1036492241 /nfs/dbraw/zinc/49/22/41/1036492241.db2.gz CHGLBUYHCCLDQF-HNNXBMFYSA-N 1 0 334.891 4.306 20 30 EIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000602533378 1036495279 /nfs/dbraw/zinc/49/52/79/1036495279.db2.gz XOBXVTNUGWIDPT-NRFANRHFSA-N 1 0 349.478 4.023 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000602552183 1036496916 /nfs/dbraw/zinc/49/69/16/1036496916.db2.gz GMHNKAOWHDUZBQ-LYGPFTKASA-N 1 0 348.450 4.067 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000602568473 1036500835 /nfs/dbraw/zinc/50/08/35/1036500835.db2.gz NQUHUBBAEVUXQQ-OAHLLOKOSA-N 1 0 339.414 4.107 20 30 EIEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C[C@@H](C)CCC#N ZINC000602574724 1036505110 /nfs/dbraw/zinc/50/51/10/1036505110.db2.gz YTTZDSZKBKULEM-NWDGAFQWSA-N 1 0 327.241 4.049 20 30 EIEDRO N#CC1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000602600374 1036506675 /nfs/dbraw/zinc/50/66/75/1036506675.db2.gz IPKGBMBAXYYENO-JXQTWKCFSA-N 1 0 338.282 4.244 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000602581160 1036509651 /nfs/dbraw/zinc/50/96/51/1036509651.db2.gz PTOYCGYNNLXYQC-NSHDSACASA-N 1 0 349.784 4.052 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000602601368 1036513533 /nfs/dbraw/zinc/51/35/33/1036513533.db2.gz KUAYPRBRTPBIGG-QWHCGFSZSA-N 1 0 326.271 4.102 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000602623583 1036522599 /nfs/dbraw/zinc/52/25/99/1036522599.db2.gz LNRYKOWNWKDODY-GDBMZVCRSA-N 1 0 340.389 4.021 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000060832402 1036527740 /nfs/dbraw/zinc/52/77/40/1036527740.db2.gz DEKKSWZDPXCCKU-NRFANRHFSA-N 1 0 336.479 4.178 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCOc2ccc(Cl)cc2)cc1OC ZINC000060842325 1036530025 /nfs/dbraw/zinc/53/00/25/1036530025.db2.gz UAAQVYRNNIXLQJ-UHFFFAOYSA-N 1 0 347.842 4.082 20 30 EIEDRO N#CC1CCC([NH2+][C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000602640233 1036533268 /nfs/dbraw/zinc/53/32/68/1036533268.db2.gz LBRMKKFFLVTUPJ-MMWSSPAHSA-N 1 0 337.286 4.268 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000602642341 1036537693 /nfs/dbraw/zinc/53/76/93/1036537693.db2.gz JMDBANOYDMIIEC-MRVWCRGKSA-N 1 0 339.252 4.364 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000602642248 1036537800 /nfs/dbraw/zinc/53/78/00/1036537800.db2.gz BLVYCZZIJNCFPL-HNNXBMFYSA-N 1 0 342.414 4.274 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000602642342 1036538749 /nfs/dbraw/zinc/53/87/49/1036538749.db2.gz JMDBANOYDMIIEC-UBHSHLNASA-N 1 0 339.252 4.364 20 30 EIEDRO C=CCCCC[N@@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000572472349 1036543416 /nfs/dbraw/zinc/54/34/16/1036543416.db2.gz PFHXMRIGIAMTCT-UHFFFAOYSA-N 1 0 328.500 4.360 20 30 EIEDRO N#CC1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000602660219 1036555664 /nfs/dbraw/zinc/55/56/64/1036555664.db2.gz AOXOGMGNWIIGIR-IJGSQOGDSA-N 1 0 327.255 4.089 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000602692198 1036564372 /nfs/dbraw/zinc/56/43/72/1036564372.db2.gz VRVMCIANMNDDIZ-WOSRLPQWSA-N 1 0 336.838 4.024 20 30 EIEDRO C[C@@H](CCC#N)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000602681341 1036567970 /nfs/dbraw/zinc/56/79/70/1036567970.db2.gz SBHXFGAGSHUMEY-NSHDSACASA-N 1 0 331.407 4.281 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000602680910 1036568157 /nfs/dbraw/zinc/56/81/57/1036568157.db2.gz HKHSZNCWHAZCGG-HZMBPMFUSA-N 1 0 325.225 4.105 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000414541611 1036644949 /nfs/dbraw/zinc/64/49/49/1036644949.db2.gz WLGCDEWTUZMGLQ-CYBMUJFWSA-N 1 0 326.387 4.439 20 30 EIEDRO C[C@@H](c1cc(F)ccc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911085 1036661971 /nfs/dbraw/zinc/66/19/71/1036661971.db2.gz WFTDPYLMLXRLJN-ZDUSSCGKSA-N 1 0 327.378 4.172 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602895448 1036666351 /nfs/dbraw/zinc/66/63/51/1036666351.db2.gz NUWFZZRFPCRWIZ-MRXNPFEDSA-N 1 0 330.435 4.067 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602895540 1036666849 /nfs/dbraw/zinc/66/68/49/1036666849.db2.gz QBABDEKKERBAHI-MRXNPFEDSA-N 1 0 330.435 4.067 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000486385052 1036667700 /nfs/dbraw/zinc/66/77/00/1036667700.db2.gz BEKCZTDUHQVERZ-UHFFFAOYSA-N 1 0 326.440 4.114 20 30 EIEDRO COc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1OC ZINC000589167740 1036683044 /nfs/dbraw/zinc/68/30/44/1036683044.db2.gz VSWYPINRWJSMIS-UHFFFAOYSA-N 1 0 348.446 4.173 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000598585095 1036704143 /nfs/dbraw/zinc/70/41/43/1036704143.db2.gz RKSREIPVFYMQOD-SUMWQHHRSA-N 1 0 346.521 4.058 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Oc2ccccc2)cc1 ZINC000598603649 1036704398 /nfs/dbraw/zinc/70/43/98/1036704398.db2.gz XSVVVNQUXVBQDH-WMZOPIPTSA-N 1 0 338.451 4.430 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000598585092 1036704568 /nfs/dbraw/zinc/70/45/68/1036704568.db2.gz RKSREIPVFYMQOD-CXAGYDPISA-N 1 0 346.521 4.058 20 30 EIEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)cs1 ZINC000598603640 1036705302 /nfs/dbraw/zinc/70/53/02/1036705302.db2.gz XQPUASWPFWVBGO-CXAGYDPISA-N 1 0 343.496 4.070 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1Oc1ccccc1 ZINC000598603689 1036706754 /nfs/dbraw/zinc/70/67/54/1036706754.db2.gz YUJBWSGQEXCBST-SJORKVTESA-N 1 0 338.451 4.430 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000598596837 1036711511 /nfs/dbraw/zinc/71/15/11/1036711511.db2.gz MKCUIEDUQGECJG-RBBKRZOGSA-N 1 0 348.490 4.129 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000598597161 1036712540 /nfs/dbraw/zinc/71/25/40/1036712540.db2.gz WZNFBFVWJMHMIY-GFCCVEGCSA-N 1 0 329.271 4.119 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000598649966 1036738671 /nfs/dbraw/zinc/73/86/71/1036738671.db2.gz VWIFBHCNIPHGCA-SFHVURJKSA-N 1 0 342.389 4.272 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)CC2 ZINC000589338804 1036738912 /nfs/dbraw/zinc/73/89/12/1036738912.db2.gz FWUNGOKOQJCNBP-XZOQPEGZSA-N 1 0 345.490 4.362 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cccc(-n2cccn2)c1 ZINC000589340465 1036740043 /nfs/dbraw/zinc/74/00/43/1036740043.db2.gz FEZFZPNOZCAQKA-VFNWGFHPSA-N 1 0 328.419 4.082 20 30 EIEDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000598678237 1036742928 /nfs/dbraw/zinc/74/29/28/1036742928.db2.gz OZEWMAKTGKKIAB-VQTJNVASSA-N 1 0 333.435 4.119 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000589342392 1036743333 /nfs/dbraw/zinc/74/33/33/1036743333.db2.gz PJFOELSUHVLCNZ-SFHVURJKSA-N 1 0 341.252 4.406 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000589319833 1036744320 /nfs/dbraw/zinc/74/43/20/1036744320.db2.gz RCRBQBHOUBWQGT-XYPYZODXSA-N 1 0 338.263 4.357 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000589319851 1036745644 /nfs/dbraw/zinc/74/56/44/1036745644.db2.gz UFWYSULLRHJQSL-GFCCVEGCSA-N 1 0 332.316 4.492 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000598715848 1036757340 /nfs/dbraw/zinc/75/73/40/1036757340.db2.gz UGGGPYPGGGETIT-OALUTQOASA-N 1 0 342.870 4.320 20 30 EIEDRO CCC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502941651 1036825754 /nfs/dbraw/zinc/82/57/54/1036825754.db2.gz WWNZDMSFBHNXEZ-KRWDZBQOSA-N 1 0 335.451 4.188 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCOc2ccccc2OC)cc1Cl ZINC000589634898 1036854143 /nfs/dbraw/zinc/85/41/43/1036854143.db2.gz KDDWBPQKAJPLJM-UHFFFAOYSA-N 1 0 347.842 4.082 20 30 EIEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000486794620 1036857745 /nfs/dbraw/zinc/85/77/45/1036857745.db2.gz DMQMABPUJDBPRO-LRDDRELGSA-N 1 0 333.501 4.076 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCOc2cccc(C)c2)ccc1OC ZINC000589645248 1036859132 /nfs/dbraw/zinc/85/91/32/1036859132.db2.gz XBTJAKARUQMQHV-UHFFFAOYSA-N 1 0 341.451 4.127 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CSc3ccc(Br)cc32)c1 ZINC000486810749 1036861116 /nfs/dbraw/zinc/86/11/16/1036861116.db2.gz JLYFIGUWAZQRBU-OAHLLOKOSA-N 1 0 345.265 4.257 20 30 EIEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000589949279 1036899039 /nfs/dbraw/zinc/89/90/39/1036899039.db2.gz QUTIQCCNQKJKDY-MKBNYLNASA-N 1 0 333.273 4.354 20 30 EIEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693413 1036899327 /nfs/dbraw/zinc/89/93/27/1036899327.db2.gz XVBXAZAOGSQDOK-XMSQKQJNSA-N 1 0 337.511 4.105 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000603662337 1036932001 /nfs/dbraw/zinc/93/20/01/1036932001.db2.gz RQTNNWMOEZYJMK-UHFFFAOYSA-N 1 0 347.528 4.195 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000593725962 1036944607 /nfs/dbraw/zinc/94/46/07/1036944607.db2.gz SWRBVQWSROBXRN-SBUREZEXSA-N 1 0 345.490 4.361 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000590068437 1036970192 /nfs/dbraw/zinc/97/01/92/1036970192.db2.gz QBWXDSPLMGXZNA-GOSISDBHSA-N 1 0 347.443 4.475 20 30 EIEDRO COCc1ccccc1/C=C(\C)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000590068455 1036971878 /nfs/dbraw/zinc/97/18/78/1036971878.db2.gz VQPFBZRTEBHJEA-GSTVHYHFSA-N 1 0 332.447 4.385 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)cc1C#N ZINC000599430184 1037011877 /nfs/dbraw/zinc/01/18/77/1037011877.db2.gz OTMHPJFXMFYIJN-OAQYLSRUSA-N 1 0 332.447 4.051 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)cc1C#N ZINC000599452399 1037013704 /nfs/dbraw/zinc/01/37/04/1037013704.db2.gz PBZBLPXQMUSYPP-OAQYLSRUSA-N 1 0 332.447 4.026 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2ccc(Br)cc2Cl)C1 ZINC000590263996 1037036711 /nfs/dbraw/zinc/03/67/11/1037036711.db2.gz IMKWNOAMPLCBTJ-SMDDNHRTSA-N 1 0 341.680 4.317 20 30 EIEDRO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271912425 1037051878 /nfs/dbraw/zinc/05/18/78/1037051878.db2.gz YFGKWTYKHXHDFO-FOIQADDNSA-N 1 0 336.435 4.326 20 30 EIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000271918296 1037052164 /nfs/dbraw/zinc/05/21/64/1037052164.db2.gz ZHYKRAGNCNEQGB-IFXJQAMLSA-N 1 0 344.842 4.281 20 30 EIEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000467303737 1037059393 /nfs/dbraw/zinc/05/93/93/1037059393.db2.gz FAQKSGINUWVMOE-QGZVFWFLSA-N 1 0 338.451 4.101 20 30 EIEDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)c1 ZINC000603868470 1037063863 /nfs/dbraw/zinc/06/38/63/1037063863.db2.gz OQZFFJXKTFOROE-LJQANCHMSA-N 1 0 345.446 4.027 20 30 EIEDRO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599583582 1037086411 /nfs/dbraw/zinc/08/64/11/1037086411.db2.gz SHBLEUPFCVCVAT-IAGOWNOFSA-N 1 0 334.504 4.150 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1cc(C)ccc1C ZINC000599641511 1037106452 /nfs/dbraw/zinc/10/64/52/1037106452.db2.gz RVESADZFQCLMSH-IBGZPJMESA-N 1 0 335.451 4.245 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C/C=C\c2ccncc2)cc1 ZINC000487567505 1037152851 /nfs/dbraw/zinc/15/28/51/1037152851.db2.gz XNOFDAYOLMUFPW-ARJAWSKDSA-N 1 0 325.415 4.423 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc(-c2ccccc2)nn1C ZINC000590778500 1037163316 /nfs/dbraw/zinc/16/33/16/1037163316.db2.gz QSCBAJILSPRQAO-MGPUTAFESA-N 1 0 342.446 4.297 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(-c2ccccc2)nn1C ZINC000590778502 1037163538 /nfs/dbraw/zinc/16/35/38/1037163538.db2.gz QSCBAJILSPRQAO-QRWLVFNGSA-N 1 0 342.446 4.297 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccc1Cl ZINC000590780130 1037164089 /nfs/dbraw/zinc/16/40/89/1037164089.db2.gz LDZNIXMVRWKCJL-SFHVURJKSA-N 1 0 326.827 4.387 20 30 EIEDRO N#Cc1ccc(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000604076204 1037182826 /nfs/dbraw/zinc/18/28/26/1037182826.db2.gz SJKJUYRNAACUHH-UHFFFAOYSA-N 1 0 348.450 4.231 20 30 EIEDRO COCC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccco1 ZINC000272482087 1037200917 /nfs/dbraw/zinc/20/09/17/1037200917.db2.gz AZUXLWOINQSDAB-SCCNAQOGSA-N 1 0 338.451 4.351 20 30 EIEDRO CC(C)([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Br)cc1 ZINC000604124307 1037231817 /nfs/dbraw/zinc/23/18/17/1037231817.db2.gz BLONWVQWVSIAHA-UHFFFAOYSA-N 1 0 347.231 4.485 20 30 EIEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000272577969 1037233644 /nfs/dbraw/zinc/23/36/44/1037233644.db2.gz XLAQPOZACOCEOX-UHFFFAOYSA-N 1 0 341.436 4.449 20 30 EIEDRO CC1(C#N)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000272585870 1037237326 /nfs/dbraw/zinc/23/73/26/1037237326.db2.gz ZDNAOKOLIDVYLC-UHFFFAOYSA-N 1 0 341.436 4.449 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(Nc3cccc(OCC#N)c3)CC2)C1 ZINC000272862948 1037316792 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/nfs/dbraw/zinc/78/28/74/1037782874.db2.gz DCCKVLYYGSKVHW-UHFFFAOYSA-N 1 0 343.430 4.076 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2ccc(Oc3ccccc3)o2)CC1 ZINC000503561726 1037809557 /nfs/dbraw/zinc/80/95/57/1037809557.db2.gz FVOVCTSDSMALBM-UHFFFAOYSA-N 1 0 326.440 4.202 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccccc1Br ZINC000503573452 1037824353 /nfs/dbraw/zinc/82/43/53/1037824353.db2.gz KZKCOYQPSGHJFZ-CYBMUJFWSA-N 1 0 329.241 4.214 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N(CCCC)[C@H](C)c2ccc(C)o2)CC1 ZINC000592526148 1037824884 /nfs/dbraw/zinc/82/48/84/1037824884.db2.gz VLBBSJKYCNSVDX-QGZVFWFLSA-N 1 0 347.503 4.111 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccccc2OCc2ccccc2)c1 ZINC000062254939 1037829538 /nfs/dbraw/zinc/82/95/38/1037829538.db2.gz BRIDLSXKZWFANW-UHFFFAOYSA-N 1 0 328.415 4.427 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000172116967 1037859068 /nfs/dbraw/zinc/85/90/68/1037859068.db2.gz RPJYASUYQOVEHU-VXKWHMMOSA-N 1 0 335.447 4.099 20 30 EIEDRO C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cccc(C[C@@H](C#N)CO)c2)c1 ZINC000592984975 1037897588 /nfs/dbraw/zinc/89/75/88/1037897588.db2.gz DFQNAXWKHLCIRZ-PXNSSMCTSA-N 1 0 334.463 4.012 20 30 EIEDRO N#CC1(CCC[NH2+]C2(c3ccccc3Cl)CCC2)CCOCC1 ZINC000593038387 1037903828 /nfs/dbraw/zinc/90/38/28/1037903828.db2.gz DSXUSAUQVRLBMG-UHFFFAOYSA-N 1 0 332.875 4.409 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc(C#N)c1 ZINC000592363608 1037912567 /nfs/dbraw/zinc/91/25/67/1037912567.db2.gz FZNQCAOZNJBXHH-PGRDOPGGSA-N 1 0 345.490 4.406 20 30 EIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000593123881 1037982139 /nfs/dbraw/zinc/98/21/39/1037982139.db2.gz FVGBWFZLIUDHNB-FKBYEOEOSA-N 1 0 332.447 4.247 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC000593959367 1038005774 /nfs/dbraw/zinc/00/57/74/1038005774.db2.gz AULGXUMHHLLXIQ-KRWDZBQOSA-N 1 0 349.478 4.217 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCCO2)cc1 ZINC000503947424 1038017593 /nfs/dbraw/zinc/01/75/93/1038017593.db2.gz VGNAXUJLUHIJHX-OAQYLSRUSA-N 1 0 338.426 4.269 20 30 EIEDRO CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423250830 1038078589 /nfs/dbraw/zinc/07/85/89/1038078589.db2.gz VPVHPJVEJYXFCN-JLTOFOAXSA-N 1 0 325.431 4.171 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(F)cc1C#N ZINC000489551004 1038108437 /nfs/dbraw/zinc/10/84/37/1038108437.db2.gz QVTUJRBJWUENNL-UHFFFAOYSA-N 1 0 348.425 4.152 20 30 EIEDRO N#CC1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CCCC1 ZINC000593655120 1038117489 /nfs/dbraw/zinc/11/74/89/1038117489.db2.gz XBXXSRKTXPDQAK-UHFFFAOYSA-N 1 0 333.273 4.369 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000593661311 1038121127 /nfs/dbraw/zinc/12/11/27/1038121127.db2.gz XORXTMGXCOYPEP-UHFFFAOYSA-N 1 0 327.403 4.433 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000593669245 1038124999 /nfs/dbraw/zinc/12/49/99/1038124999.db2.gz ZRPHXMPHBZSLLF-ATKRNPRHSA-N 1 0 338.495 4.185 20 30 EIEDRO CC(C)[C@@H]1[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC12CC=CC2 ZINC000592526058 1038148059 /nfs/dbraw/zinc/14/80/59/1038148059.db2.gz GPUIPUDUYHXQHN-NRFANRHFSA-N 1 0 346.478 4.135 20 30 EIEDRO COc1ccc(Cl)cc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032402 1038226356 /nfs/dbraw/zinc/22/63/56/1038226356.db2.gz GUUZVIQUGKOUTJ-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO C=CCCCCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606816823 1038256716 /nfs/dbraw/zinc/25/67/16/1038256716.db2.gz OHSYFZCFGYXYJJ-FQEVSTJZSA-N 1 0 328.500 4.103 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3CC3CCCC3)o2)c1 ZINC000594052953 1038296205 /nfs/dbraw/zinc/29/62/05/1038296205.db2.gz KBLFFNSJNUFYEY-GOSISDBHSA-N 1 0 336.439 4.153 20 30 EIEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(CCCc2ccccc2)cc1 ZINC000594439856 1038332527 /nfs/dbraw/zinc/33/25/27/1038332527.db2.gz RPILQKXHABVCPG-OAQYLSRUSA-N 1 0 349.478 4.212 20 30 EIEDRO CC[C@@H](C)Sc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)c(C)c1 ZINC000594431958 1038333648 /nfs/dbraw/zinc/33/36/48/1038333648.db2.gz TWHVLLYSBILUNY-GDBMZVCRSA-N 1 0 333.501 4.235 20 30 EIEDRO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)c2ccccc21 ZINC000594442056 1038335586 /nfs/dbraw/zinc/33/55/86/1038335586.db2.gz BMIMDWGCWVMIGB-SCLBCKFNSA-N 1 0 343.858 4.082 20 30 EIEDRO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)c2ccccc21 ZINC000594442057 1038336368 /nfs/dbraw/zinc/33/63/68/1038336368.db2.gz BMIMDWGCWVMIGB-UGSOOPFHSA-N 1 0 343.858 4.082 20 30 EIEDRO CC[C@H](C)c1ccc([C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594425238 1038340834 /nfs/dbraw/zinc/34/08/34/1038340834.db2.gz GPPDVAUYEFAFEX-DBVUQKKJSA-N 1 0 343.515 4.425 20 30 EIEDRO CC[C@H](C)c1ccc([C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594425241 1038341684 /nfs/dbraw/zinc/34/16/84/1038341684.db2.gz GPPDVAUYEFAFEX-PWIZWCRZSA-N 1 0 343.515 4.425 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2Cn2cccn2)cc1 ZINC000594493243 1038343989 /nfs/dbraw/zinc/34/39/89/1038343989.db2.gz IIIVLYDOAFZDOF-UHFFFAOYSA-N 1 0 344.462 4.022 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CCC2 ZINC000594497550 1038344630 /nfs/dbraw/zinc/34/46/30/1038344630.db2.gz GTEDQGKDDOKVGA-FQEVSTJZSA-N 1 0 346.430 4.001 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000594497606 1038345845 /nfs/dbraw/zinc/34/58/45/1038345845.db2.gz ILNOSGXZJBAVEI-UHFFFAOYSA-N 1 0 339.508 4.308 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000594499387 1038349782 /nfs/dbraw/zinc/34/97/82/1038349782.db2.gz GJHWPXBWYKIXNN-NHCUHLMSSA-N 1 0 334.463 4.498 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000594505584 1038351200 /nfs/dbraw/zinc/35/12/00/1038351200.db2.gz VFKSRWBECXQNCV-SFHVURJKSA-N 1 0 344.524 4.022 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594515585 1038357521 /nfs/dbraw/zinc/35/75/21/1038357521.db2.gz NXQQWAYBGLXOSG-OAHLLOKOSA-N 1 0 336.435 4.305 20 30 EIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCCO2 ZINC000594514595 1038358146 /nfs/dbraw/zinc/35/81/46/1038358146.db2.gz IZMOOSFFRBJZQI-MRXNPFEDSA-N 1 0 348.446 4.450 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc(N2CCCC2)n1 ZINC000594518600 1038359981 /nfs/dbraw/zinc/35/99/81/1038359981.db2.gz JYMITPBBILKSEA-UHFFFAOYSA-N 1 0 348.494 4.081 20 30 EIEDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594519233 1038360470 /nfs/dbraw/zinc/36/04/70/1038360470.db2.gz VUCATZUFISEJCF-GOSISDBHSA-N 1 0 336.410 4.362 20 30 EIEDRO CC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000594520343 1038360664 /nfs/dbraw/zinc/36/06/64/1038360664.db2.gz NEBSIXFZIKRBEZ-OMYXNUHHSA-N 1 0 326.484 4.328 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1 ZINC000594520755 1038360769 /nfs/dbraw/zinc/36/07/69/1038360769.db2.gz MNTQFHCDNKCDPN-UHFFFAOYSA-N 1 0 347.384 4.234 20 30 EIEDRO COc1ncc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1Cl ZINC000594518901 1038360802 /nfs/dbraw/zinc/36/08/02/1038360802.db2.gz QOYQFDXININYNP-ZDUSSCGKSA-N 1 0 341.842 4.345 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594519234 1038360829 /nfs/dbraw/zinc/36/08/29/1038360829.db2.gz FLWWBRXITGNRCZ-UGXBSWJRSA-N 1 0 348.531 4.441 20 30 EIEDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594518246 1038361172 /nfs/dbraw/zinc/36/11/72/1038361172.db2.gz NQBCJTLWJRNWNZ-INIZCTEOSA-N 1 0 344.462 4.425 20 30 EIEDRO COc1cc2c(c(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)c1)O[C@H](C)C2 ZINC000594521381 1038363974 /nfs/dbraw/zinc/36/39/74/1038363974.db2.gz USOJQLYKVUSRKG-OAHLLOKOSA-N 1 0 348.446 4.059 20 30 EIEDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccco1 ZINC000594918756 1038423542 /nfs/dbraw/zinc/42/35/42/1038423542.db2.gz RWNZBHLRKLEGJD-LJQANCHMSA-N 1 0 337.467 4.007 20 30 EIEDRO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594915216 1038425980 /nfs/dbraw/zinc/42/59/80/1038425980.db2.gz QLDWOIRIPMHKMB-UHFFFAOYSA-N 1 0 347.462 4.126 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(-n2cccn2)c1 ZINC000594929621 1038429126 /nfs/dbraw/zinc/42/91/26/1038429126.db2.gz LEWWAHPVFGXHSO-KRWDZBQOSA-N 1 0 342.446 4.278 20 30 EIEDRO CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594925161 1038430395 /nfs/dbraw/zinc/43/03/95/1038430395.db2.gz LOMXVBKIJJJSJB-UHFFFAOYSA-N 1 0 347.462 4.270 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)cc2)CC1 ZINC000594934420 1038490026 /nfs/dbraw/zinc/49/00/26/1038490026.db2.gz GOFLNHNMAVZKKW-PZJWPPBQSA-N 1 0 332.447 4.109 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC000594947074 1038526909 /nfs/dbraw/zinc/52/69/09/1038526909.db2.gz RULCOZJDLVPKCU-SFTDATJTSA-N 1 0 332.447 4.252 20 30 EIEDRO Cn1cc(-c2ccc(C[NH2+]C(C)(C)c3cccc(C#N)c3)s2)cn1 ZINC000594968613 1038553844 /nfs/dbraw/zinc/55/38/44/1038553844.db2.gz KJLCJFQOOIUDMG-UHFFFAOYSA-N 1 0 336.464 4.045 20 30 EIEDRO CCOc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1OCC ZINC000594966862 1038558581 /nfs/dbraw/zinc/55/85/81/1038558581.db2.gz BPSZGKBOPOMTEO-UHFFFAOYSA-N 1 0 338.451 4.381 20 30 EIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1cccn(C(F)F)c1=O ZINC000637868019 1038604527 /nfs/dbraw/zinc/60/45/27/1038604527.db2.gz LODIRNFEMZXQFM-UHFFFAOYSA-N 1 0 344.814 4.147 20 30 EIEDRO CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424163633 1038694367 /nfs/dbraw/zinc/69/43/67/1038694367.db2.gz AKYTZGBETSPSEO-ROUUACIJSA-N 1 0 347.890 4.051 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000424174217 1038728606 /nfs/dbraw/zinc/72/86/06/1038728606.db2.gz RHLIDHQEFCSMDU-NOPRJXFKSA-N 1 0 325.374 4.289 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OCc1cccs1 ZINC000424209069 1038729018 /nfs/dbraw/zinc/72/90/18/1038729018.db2.gz YZVNKBZHPSZWRA-GOEBONIOSA-N 1 0 342.464 4.118 20 30 EIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1ccc2c(c1)COC2)C(C)C ZINC000480759742 1038800602 /nfs/dbraw/zinc/80/06/02/1038800602.db2.gz PZCFTEWGTMOISN-UTKZUKDTSA-N 1 0 328.500 4.066 20 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/nfs/dbraw/zinc/87/29/20/1038872920.db2.gz RNMPDLUUKJOPJD-IEBWSBKVSA-N 1 0 340.467 4.139 20 30 EIEDRO C=CCC[C@H](CC)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000462032701 1038875221 /nfs/dbraw/zinc/87/52/21/1038875221.db2.gz PUMUNKBQVNUWOD-AWEZNQCLSA-N 1 0 339.277 4.112 20 30 EIEDRO COc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)cc1C#N ZINC000174243673 1038882846 /nfs/dbraw/zinc/88/28/46/1038882846.db2.gz VSNWAKGQGKLCCS-IBGZPJMESA-N 1 0 326.827 4.461 20 30 EIEDRO COc1ccc2cc(C[NH2+]Cc3ccc(OC)c(C#N)c3)ccc2c1 ZINC000174252710 1038890903 /nfs/dbraw/zinc/89/09/03/1038890903.db2.gz JWXGLJJRXLPBGR-UHFFFAOYSA-N 1 0 332.403 4.018 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1cccc(-n2cccn2)c1 ZINC000539287411 1038933215 /nfs/dbraw/zinc/93/32/15/1038933215.db2.gz XFFVFDACKMMANI-INIZCTEOSA-N 1 0 335.838 4.228 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000174436183 1038958114 /nfs/dbraw/zinc/95/81/14/1038958114.db2.gz OASHUFHOWXZOIU-SFHVURJKSA-N 1 0 345.446 4.125 20 30 EIEDRO CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000609040637 1039004013 /nfs/dbraw/zinc/00/40/13/1039004013.db2.gz WSVRWPWZPFBJQL-AWEZNQCLSA-N 1 0 345.512 4.092 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000537624406 1039017588 /nfs/dbraw/zinc/01/75/88/1039017588.db2.gz LCWZLBOBBIHOLR-UHFFFAOYSA-N 1 0 341.455 4.026 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccco1 ZINC000552049175 1039073532 /nfs/dbraw/zinc/07/35/32/1039073532.db2.gz NYUHIGCWZSWVAK-YOEHRIQHSA-N 1 0 332.394 4.434 20 30 EIEDRO N#CC1CC[NH+](CC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000555336430 1039095147 /nfs/dbraw/zinc/09/51/47/1039095147.db2.gz YFLRJFFKEWTCKL-UHFFFAOYSA-N 1 0 326.390 4.332 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](COC)c2ccc(Cl)cc2)cc1 ZINC000552091551 1039116542 /nfs/dbraw/zinc/11/65/42/1039116542.db2.gz RJUQOXAKPKQWCM-IBGZPJMESA-N 1 0 331.843 4.382 20 30 EIEDRO N#CCCOCC[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC000555378403 1039132130 /nfs/dbraw/zinc/13/21/30/1039132130.db2.gz UBHXRZZYHSZLIB-UHFFFAOYSA-N 1 0 341.282 4.178 20 30 EIEDRO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000481270483 1039201423 /nfs/dbraw/zinc/20/14/23/1039201423.db2.gz RCDTYIANMSJUBP-NWDGAFQWSA-N 1 0 329.271 4.067 20 30 EIEDRO C=CCC[C@H]([NH2+]CC1CCN(Cc2csc(CC)n2)CC1)C1CC1 ZINC000121121263 1039312683 /nfs/dbraw/zinc/31/26/83/1039312683.db2.gz FBHIQFJMZKRCAT-IBGZPJMESA-N 1 0 347.572 4.252 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccco1 ZINC000552282930 1039337197 /nfs/dbraw/zinc/33/71/97/1039337197.db2.gz SGOUUQJJXGRJJK-MAUKXSAKSA-N 1 0 335.394 4.006 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478026940 1039349198 /nfs/dbraw/zinc/34/91/98/1039349198.db2.gz KQGSDCSVABJYCI-OAHLLOKOSA-N 1 0 325.374 4.122 20 30 EIEDRO Cc1cc(C)cc(C[C@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000552276649 1039355066 /nfs/dbraw/zinc/35/50/66/1039355066.db2.gz FNYQIMJOJXERON-IBGZPJMESA-N 1 0 347.506 4.365 20 30 EIEDRO N#CCc1cccc2c1CCN(Cc1nc3ccc(F)cc3s1)C2 ZINC000600212925 1039374256 /nfs/dbraw/zinc/37/42/56/1039374256.db2.gz LDUWIPWTNXBVPS-UHFFFAOYSA-N 1 0 337.423 4.060 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000552324077 1039380778 /nfs/dbraw/zinc/38/07/78/1039380778.db2.gz ZTVFETFNAXQXPL-HNNXBMFYSA-N 1 0 326.396 4.319 20 30 EIEDRO CN(Cc1cccc(OCc2cccc(C#N)c2)c1)CC(C)(C)C#N ZINC000552316641 1039393191 /nfs/dbraw/zinc/39/31/91/1039393191.db2.gz HTUSFCZPWGBJQU-UHFFFAOYSA-N 1 0 333.435 4.119 20 30 EIEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)OCC ZINC000534404445 1039394073 /nfs/dbraw/zinc/39/40/73/1039394073.db2.gz BIEUDBLHTFHLQM-YLJYHZDGSA-N 1 0 344.499 4.371 20 30 EIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1cccc(OCCCC#N)c1 ZINC000092150142 1039482224 /nfs/dbraw/zinc/48/22/24/1039482224.db2.gz IBCQOUDXMYKMRE-UHFFFAOYSA-N 1 0 326.415 4.183 20 30 EIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093008186 1039618386 /nfs/dbraw/zinc/61/83/86/1039618386.db2.gz ZREOODVFPUUCNB-OXJNMPFZSA-N 1 0 336.435 4.323 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000478297451 1039644592 /nfs/dbraw/zinc/64/45/92/1039644592.db2.gz AOHJKDHYZSEEJT-VQTJNVASSA-N 1 0 334.467 4.017 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000481631984 1039660153 /nfs/dbraw/zinc/66/01/53/1039660153.db2.gz ZASBFTPHNZJPIM-IBGZPJMESA-N 1 0 348.368 4.340 20 30 EIEDRO C=CCC1(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000478347557 1039689216 /nfs/dbraw/zinc/68/92/16/1039689216.db2.gz WSUFCRBSBCCTCW-UYAOXDASSA-N 1 0 340.511 4.150 20 30 EIEDRO CN1CC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[C@@H]1c1ccccc1 ZINC000481657693 1039701346 /nfs/dbraw/zinc/70/13/46/1039701346.db2.gz NKNFHTHSECRKLY-VJBWXMMDSA-N 1 0 345.490 4.361 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000093665867 1039729171 /nfs/dbraw/zinc/72/91/71/1039729171.db2.gz VHCYOYGGAGLJMF-NRFANRHFSA-N 1 0 342.483 4.293 20 30 EIEDRO C=C(C)COCCNc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899876809 1039765100 /nfs/dbraw/zinc/76/51/00/1039765100.db2.gz PCLGFTNZKWRMFX-UHFFFAOYSA-N 1 0 326.318 4.138 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000481704575 1039769665 /nfs/dbraw/zinc/76/96/65/1039769665.db2.gz OUAIGHOCNMQAQA-HXUWFJFHSA-N 1 0 338.838 4.233 20 30 EIEDRO Cc1c(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000481996428 1039940339 /nfs/dbraw/zinc/94/03/39/1039940339.db2.gz AFDSZCRUBSPNQV-LJQANCHMSA-N 1 0 335.407 4.332 20 30 EIEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)OCC ZINC000535138776 1039993456 /nfs/dbraw/zinc/99/34/56/1039993456.db2.gz SBNXWNROFVDIEY-FXAWDEMLSA-N 1 0 344.499 4.228 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000478913894 1040012623 /nfs/dbraw/zinc/01/26/23/1040012623.db2.gz VBAVTQUEONNLNU-VGSWGCGISA-N 1 0 333.479 4.119 20 30 EIEDRO COc1c(Br)cccc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000548149814 1040099621 /nfs/dbraw/zinc/09/96/21/1040099621.db2.gz VUISOKZGRAQJCP-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000924776675 1040154072 /nfs/dbraw/zinc/15/40/72/1040154072.db2.gz OCMACRBOGPIBGF-CQSZACIVSA-N 1 0 327.403 4.431 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000514754492 1040204473 /nfs/dbraw/zinc/20/44/73/1040204473.db2.gz UTJGKGKRIFVNNT-OAHLLOKOSA-N 1 0 328.843 4.421 20 30 EIEDRO C=C[C@H](CC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000535340152 1040206895 /nfs/dbraw/zinc/20/68/95/1040206895.db2.gz JYDCQJSFRSOVJB-WIYYLYMNSA-N 1 0 336.479 4.074 20 30 EIEDRO COc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000425367251 1040348976 /nfs/dbraw/zinc/34/89/76/1040348976.db2.gz SAYQQDUTYCYZBQ-ZDUSSCGKSA-N 1 0 344.842 4.422 20 30 EIEDRO C=CC[C@H](C)C(=O)N[C@@]12CC[C@@]([NH2+]CCCC(F)(F)F)(C1)CCC2 ZINC001269959179 1040374592 /nfs/dbraw/zinc/37/45/92/1040374592.db2.gz BPSCMIBYWQFFIM-UAGQMJEPSA-N 1 0 346.437 4.092 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(OCCC(C)C)cc2)CC1 ZINC000482631639 1040398279 /nfs/dbraw/zinc/39/82/79/1040398279.db2.gz OBYNDJKIAPDDNE-GOSISDBHSA-N 1 0 330.516 4.413 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cccc(-c4ccccn4)c3)CC2)c1 ZINC000551581313 1040437041 /nfs/dbraw/zinc/43/70/41/1040437041.db2.gz IBVRCSPQVCAUKM-UHFFFAOYSA-N 1 0 325.415 4.399 20 30 EIEDRO COCc1cccc(OCC2(C[N@H+](C[C@H](C)C#N)C3CC3)CCC2)c1 ZINC000539447344 1040449924 /nfs/dbraw/zinc/44/99/24/1040449924.db2.gz UMSRFLQYUGBNIR-QGZVFWFLSA-N 1 0 342.483 4.006 20 30 EIEDRO CCc1ccc([C@@H]([NH2+]CCC(=O)Nc2ccccc2C#N)C(C)C)cc1 ZINC000442976770 1040463453 /nfs/dbraw/zinc/46/34/53/1040463453.db2.gz UJLCDGFQBHRBCB-QFIPXVFZSA-N 1 0 349.478 4.436 20 30 EIEDRO C[C@@H]1CCC[C@@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000539495177 1040471232 /nfs/dbraw/zinc/47/12/32/1040471232.db2.gz GZHVHLBAZIMTKD-MOPGFXCFSA-N 1 0 339.527 4.329 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000539496159 1040471531 /nfs/dbraw/zinc/47/15/31/1040471531.db2.gz KKEDSPCOWHSBAB-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(F)cc1F ZINC000174653343 1040493141 /nfs/dbraw/zinc/49/31/41/1040493141.db2.gz LIAFUWGVXLOYEU-OAHLLOKOSA-N 1 0 343.421 4.208 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000477434116 1040506016 /nfs/dbraw/zinc/50/60/16/1040506016.db2.gz CDNFTPORCJDQEI-UHFFFAOYSA-N 1 0 346.352 4.235 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000669829115 1040511878 /nfs/dbraw/zinc/51/18/78/1040511878.db2.gz ZZXMBNYOHIRNRX-KGLIPLIRSA-N 1 0 334.510 4.064 20 30 EIEDRO COc1ccc2ccccc2c1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000515190592 1040529920 /nfs/dbraw/zinc/52/99/20/1040529920.db2.gz JESCZMVHBBUQFT-OAQYLSRUSA-N 1 0 328.415 4.497 20 30 EIEDRO Cc1ccc(-c2cc(CNC3(c4cccc(C#N)c4)CC3)on2)cc1 ZINC000551713639 1040531635 /nfs/dbraw/zinc/53/16/35/1040531635.db2.gz HEYKXORADCLOJQ-UHFFFAOYSA-N 1 0 329.403 4.301 20 30 EIEDRO CC[N@H+](CCC(C)(C)C#N)Cc1cc(Br)ccc1F ZINC000539588060 1040590652 /nfs/dbraw/zinc/59/06/52/1040590652.db2.gz VESZAXCWKNLCLT-UHFFFAOYSA-N 1 0 327.241 4.350 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(C#N)c(F)c1 ZINC000539602255 1040600095 /nfs/dbraw/zinc/60/00/95/1040600095.db2.gz FIUUABOYSAZGEC-KSSFIOAISA-N 1 0 343.471 4.247 20 30 EIEDRO C=CCC[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000435763255 1040601492 /nfs/dbraw/zinc/60/14/92/1040601492.db2.gz QIUJWBFPPFEPBD-VQTJNVASSA-N 1 0 343.515 4.210 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000539606438 1040602087 /nfs/dbraw/zinc/60/20/87/1040602087.db2.gz GUSVLMQSLLWXQE-LSDHHAIUSA-N 1 0 326.415 4.235 20 30 EIEDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000539607451 1040604201 /nfs/dbraw/zinc/60/42/01/1040604201.db2.gz OCDMKGMWHIBRLK-ZDUSSCGKSA-N 1 0 343.471 4.316 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(OC(F)F)c1 ZINC000483096397 1040685664 /nfs/dbraw/zinc/68/56/64/1040685664.db2.gz JRKNDCZCJXAKET-OAHLLOKOSA-N 1 0 346.352 4.288 20 30 EIEDRO C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1cccc(C#N)c1 ZINC000539689240 1040702440 /nfs/dbraw/zinc/70/24/40/1040702440.db2.gz NGYUXZLHKGRICK-KZNAEPCWSA-N 1 0 349.478 4.341 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667566492 1040724560 /nfs/dbraw/zinc/72/45/60/1040724560.db2.gz HUAXOTBDNPJLHM-RBUKOAKNSA-N 1 0 341.499 4.049 20 30 EIEDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CCC#N ZINC000554074853 1040777183 /nfs/dbraw/zinc/77/71/83/1040777183.db2.gz ITSAFPFTYPGXKF-CQSZACIVSA-N 1 0 335.473 4.385 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)cc1 ZINC000483351840 1040826265 /nfs/dbraw/zinc/82/62/65/1040826265.db2.gz GPTKSZSKECFCQP-UHFFFAOYSA-N 1 0 339.435 4.130 20 30 EIEDRO C=CC[N@@H+](CCOC)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000483416916 1040847511 /nfs/dbraw/zinc/84/75/11/1040847511.db2.gz GYNKBUKNTTUWFU-UHFFFAOYSA-N 1 0 341.451 4.005 20 30 EIEDRO C=CC[C@@H]1N(C(=O)Nc2cccc(C[NH+](C)C)c2)CCCC1(C)C ZINC000436105193 1040875748 /nfs/dbraw/zinc/87/57/48/1040875748.db2.gz WXKBCOCXSKOQDW-SFHVURJKSA-N 1 0 329.488 4.347 20 30 EIEDRO Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000554253876 1040907449 /nfs/dbraw/zinc/90/74/49/1040907449.db2.gz NGKWGBVXRXBJTB-VXGBXAGGSA-N 1 0 345.258 4.234 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000483658845 1040939731 /nfs/dbraw/zinc/93/97/31/1040939731.db2.gz FTZTVTBWDLAJAX-UHFFFAOYSA-N 1 0 335.536 4.029 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)C1 ZINC000462818897 1040998234 /nfs/dbraw/zinc/99/82/34/1040998234.db2.gz LGUZJWPCFQCHNV-ODVANORSSA-N 1 0 333.273 4.367 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1cccc(Br)c1 ZINC000436285524 1041032849 /nfs/dbraw/zinc/03/28/49/1041032849.db2.gz QDHPAUCPTFEGSR-UAGQMJEPSA-N 1 0 338.289 4.471 20 30 EIEDRO Cn1ccc([C@H]([NH2+]CC(C)(C)CCC#N)c2ccc(Cl)cc2)n1 ZINC000554360114 1041036089 /nfs/dbraw/zinc/03/60/89/1041036089.db2.gz ZETAQABCIPWSDV-QGZVFWFLSA-N 1 0 330.863 4.082 20 30 EIEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000425506261 1041039277 /nfs/dbraw/zinc/03/92/77/1041039277.db2.gz CDIUVXUKVCKDHU-UHFFFAOYSA-N 1 0 332.806 4.384 20 30 EIEDRO COCCC1(C[NH2+]CCSCc2ccccc2C#N)CCCCC1 ZINC000436276883 1041049143 /nfs/dbraw/zinc/04/91/43/1041049143.db2.gz VTWZDWTZAYKMGK-UHFFFAOYSA-N 1 0 346.540 4.368 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000436288902 1041053627 /nfs/dbraw/zinc/05/36/27/1041053627.db2.gz LOIQUDAHPRTODV-LESCRADOSA-N 1 0 328.481 4.442 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)ccc1SC ZINC000926966985 1041059349 /nfs/dbraw/zinc/05/93/49/1041059349.db2.gz PLWWJCGWGZZFKC-CQSZACIVSA-N 1 0 326.465 4.448 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000483876935 1041064067 /nfs/dbraw/zinc/06/40/67/1041064067.db2.gz PAHAMPBZSZQLDK-GOSISDBHSA-N 1 0 349.544 4.129 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000467579492 1041086135 /nfs/dbraw/zinc/08/61/35/1041086135.db2.gz SVYGNVTYHJFENB-UWJYYQICSA-N 1 0 328.500 4.137 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000462906454 1041088255 /nfs/dbraw/zinc/08/82/55/1041088255.db2.gz BBYIJGAWIDPSGU-SFHVURJKSA-N 1 0 340.442 4.007 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)ccc1OC(C)C ZINC000538152404 1041093751 /nfs/dbraw/zinc/09/37/51/1041093751.db2.gz BDPRBRLNMWKXEQ-CQSZACIVSA-N 1 0 342.414 4.344 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000436309370 1041094939 /nfs/dbraw/zinc/09/49/39/1041094939.db2.gz ORMPERBDGWBNBD-ZJSJBZJDSA-N 1 0 347.474 4.431 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1-n1cccn1 ZINC000538158532 1041103478 /nfs/dbraw/zinc/10/34/78/1041103478.db2.gz DXJIEWWOJQVETD-INIZCTEOSA-N 1 0 335.838 4.228 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000538187496 1041149252 /nfs/dbraw/zinc/14/92/52/1041149252.db2.gz HJGAJGOXSKTFAP-AZUAARDMSA-N 1 0 325.839 4.059 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000538194955 1041160808 /nfs/dbraw/zinc/16/08/08/1041160808.db2.gz QUMNZDWFRBGIMQ-MJGOQNOKSA-N 1 0 325.452 4.101 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000538198277 1041169106 /nfs/dbraw/zinc/16/91/06/1041169106.db2.gz PVYCIFLCTYRESQ-CJNGLKHVSA-N 1 0 346.471 4.101 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000436401430 1041205557 /nfs/dbraw/zinc/20/55/57/1041205557.db2.gz PIJUHGVXSNFHII-UHFFFAOYSA-N 1 0 336.382 4.460 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ccccc1C(F)(F)F ZINC000538261285 1041209300 /nfs/dbraw/zinc/20/93/00/1041209300.db2.gz QKMNBLWCBJEFSH-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000538288850 1041224465 /nfs/dbraw/zinc/22/44/65/1041224465.db2.gz QZHAEZIJTPYGAN-QGZVFWFLSA-N 1 0 331.504 4.071 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000540188960 1041231048 /nfs/dbraw/zinc/23/10/48/1041231048.db2.gz NJFVTHBDHLUDDQ-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO CC1(C)C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C(C)(C)O1 ZINC000540179840 1041242092 /nfs/dbraw/zinc/24/20/92/1041242092.db2.gz HSMCXRVFRNYFFD-TVPLGVNVSA-N 1 0 342.483 4.184 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)COC2 ZINC000540185995 1041248961 /nfs/dbraw/zinc/24/89/61/1041248961.db2.gz IBOZXPFBENWEJZ-AWEZNQCLSA-N 1 0 345.364 4.438 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000480365894 1041249926 /nfs/dbraw/zinc/24/99/26/1041249926.db2.gz QOROJCINMUQCFX-UHFFFAOYSA-N 1 0 346.421 4.355 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000540187131 1041254109 /nfs/dbraw/zinc/25/41/09/1041254109.db2.gz SCHQIHJHORXTIQ-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000538406987 1041302682 /nfs/dbraw/zinc/30/26/82/1041302682.db2.gz BXEFWCVIUNJLMA-VHKYSDTDSA-N 1 0 339.870 4.308 20 30 EIEDRO CCC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000480525448 1041357808 /nfs/dbraw/zinc/35/78/08/1041357808.db2.gz IQQXPCPICCLNFP-KZNAEPCWSA-N 1 0 332.875 4.237 20 30 EIEDRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]CC2(C#N)CC2)cc1 ZINC000484628222 1041377875 /nfs/dbraw/zinc/37/78/75/1041377875.db2.gz MKKPRUOBGQMUSH-RTBURBONSA-N 1 0 328.456 4.059 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)cc1 ZINC000538487441 1041384073 /nfs/dbraw/zinc/38/40/73/1041384073.db2.gz HLKFZYRSBIIXKT-MGPUTAFESA-N 1 0 329.415 4.256 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000540349905 1041390948 /nfs/dbraw/zinc/39/09/48/1041390948.db2.gz NJRPHEYQARQJMS-OAHLLOKOSA-N 1 0 333.451 4.156 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538508226 1041396599 /nfs/dbraw/zinc/39/65/99/1041396599.db2.gz CVLSVQFQGWJZGL-RZQQEMMASA-N 1 0 337.442 4.183 20 30 EIEDRO Cc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c1C ZINC000540389132 1041422258 /nfs/dbraw/zinc/42/22/58/1041422258.db2.gz AKOLCCWKYRRHBF-RBUKOAKNSA-N 1 0 349.478 4.289 20 30 EIEDRO CCC(CC)[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000540378854 1041428356 /nfs/dbraw/zinc/42/83/56/1041428356.db2.gz LFRZYZNDNFCVIN-IBGZPJMESA-N 1 0 341.480 4.325 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(NC(=O)c2ccccc2)c1 ZINC000924667858 1041431762 /nfs/dbraw/zinc/43/17/62/1041431762.db2.gz POSUFQUVIJITGZ-INIZCTEOSA-N 1 0 335.451 4.357 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Br)s1 ZINC000443331943 1041440592 /nfs/dbraw/zinc/44/05/92/1041440592.db2.gz WPJAXMGEOVRYOE-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO Clc1ccccc1C#CC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540397173 1041440792 /nfs/dbraw/zinc/44/07/92/1041440792.db2.gz FRRMXNCSVLXNCD-UYAOXDASSA-N 1 0 325.839 4.059 20 30 EIEDRO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463281480 1041471458 /nfs/dbraw/zinc/47/14/58/1041471458.db2.gz KSMVQQSLSAOLFB-QMMLZNLJSA-N 1 0 339.527 4.131 20 30 EIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463281522 1041471504 /nfs/dbraw/zinc/47/15/04/1041471504.db2.gz KZSLWKGLBNLQCS-UNEWFSDZSA-N 1 0 335.289 4.442 20 30 EIEDRO C=C(C)[C@@H]([NH2+][C@@H](C)Cc1cccc(OC)n1)c1ccc(F)c(F)c1 ZINC000480679687 1041475707 /nfs/dbraw/zinc/47/57/07/1041475707.db2.gz JJOSHNBREOWMJA-ORAYPTAESA-N 1 0 332.394 4.206 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000540488611 1041493208 /nfs/dbraw/zinc/49/32/08/1041493208.db2.gz VVDVEXOXRQYIMW-SFHVURJKSA-N 1 0 343.515 4.003 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000540488510 1041493580 /nfs/dbraw/zinc/49/35/80/1041493580.db2.gz VVDVEXOXRQYIMW-GOSISDBHSA-N 1 0 343.515 4.003 20 30 EIEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540591066 1041547836 /nfs/dbraw/zinc/54/78/36/1041547836.db2.gz FFZIVOYRINLVMC-VXKWHMMOSA-N 1 0 339.527 4.327 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000540598432 1041552699 /nfs/dbraw/zinc/55/26/99/1041552699.db2.gz KKJOFJSJCNBTEU-UHFFFAOYSA-N 1 0 336.382 4.460 20 30 EIEDRO COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CC2(C#N)CC2)c1 ZINC000540589492 1041556875 /nfs/dbraw/zinc/55/68/75/1041556875.db2.gz ANVBNURZEPFNFU-NRFANRHFSA-N 1 0 334.463 4.489 20 30 EIEDRO C[NH+](C)[C@@H](CNc1ccc(C(F)(F)F)c(C#N)c1)c1ccsc1 ZINC000463427506 1041563624 /nfs/dbraw/zinc/56/36/24/1041563624.db2.gz CCEFEKAHABBDGN-HNNXBMFYSA-N 1 0 339.386 4.353 20 30 EIEDRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000128068057 1041585743 /nfs/dbraw/zinc/58/57/43/1041585743.db2.gz ZJCJEUIHXVDKEF-KGLIPLIRSA-N 1 0 341.842 4.280 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000128068752 1041593038 /nfs/dbraw/zinc/59/30/38/1041593038.db2.gz CASSGTIBMHTPSY-SJORKVTESA-N 1 0 335.451 4.243 20 30 EIEDRO C[C@H](CC1CCCC1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437095329 1041641005 /nfs/dbraw/zinc/64/10/05/1041641005.db2.gz JVMAJNCYKWOWTH-VNCLNFNDSA-N 1 0 327.472 4.202 20 30 EIEDRO CC1(C)CCC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437103420 1041660310 /nfs/dbraw/zinc/66/03/10/1041660310.db2.gz JXJYOSNHVZRBKJ-ADKAHSJRSA-N 1 0 327.472 4.202 20 30 EIEDRO Cc1ccc2nc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cn2c1 ZINC000507639554 1041740975 /nfs/dbraw/zinc/74/09/75/1041740975.db2.gz WIVCHBMFNVSKKG-UHFFFAOYSA-N 1 0 344.462 4.137 20 30 EIEDRO N#CCCC1CC[NH+](Cc2ccccc2OCc2ccncc2)CC1 ZINC000516771547 1041748464 /nfs/dbraw/zinc/74/84/64/1041748464.db2.gz NGHBQYOZMLHXLN-UHFFFAOYSA-N 1 0 335.451 4.176 20 30 EIEDRO CC[C@@H](CC#N)N[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000516782344 1041751162 /nfs/dbraw/zinc/75/11/62/1041751162.db2.gz OLTJDGLZWQDKRD-CVEARBPZSA-N 1 0 337.423 4.088 20 30 EIEDRO CCOc1cc(C)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540973307 1041759000 /nfs/dbraw/zinc/75/90/00/1041759000.db2.gz TWFYLXJJSUNJQK-UHFFFAOYSA-N 1 0 349.478 4.342 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(CO)o1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541064080 1041801154 /nfs/dbraw/zinc/80/11/54/1041801154.db2.gz BUGDQEHOTRSMFX-HNNXBMFYSA-N 1 0 332.403 4.161 20 30 EIEDRO CC[N@H+](CCCCOc1cccc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000506055144 1041814054 /nfs/dbraw/zinc/81/40/54/1041814054.db2.gz AWQLAWRNYXMKTM-AWEZNQCLSA-N 1 0 328.378 4.346 20 30 EIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000090107147 1041833276 /nfs/dbraw/zinc/83/32/76/1041833276.db2.gz ORINCTUVEQNKHU-CYBMUJFWSA-N 1 0 329.469 4.176 20 30 EIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000090117469 1041849503 /nfs/dbraw/zinc/84/95/03/1041849503.db2.gz XGLHHTHTRGWYLQ-AWEZNQCLSA-N 1 0 334.398 4.042 20 30 EIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000541322950 1041893145 /nfs/dbraw/zinc/89/31/45/1041893145.db2.gz XWHHRNJAXGNXJD-FOIQADDNSA-N 1 0 336.435 4.159 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)cc1 ZINC000541351337 1041900545 /nfs/dbraw/zinc/90/05/45/1041900545.db2.gz ZLKKNXCFMFWRDM-UHFFFAOYSA-N 1 0 345.490 4.027 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)Cc2ccccc2OC)cc1 ZINC000517547779 1042076596 /nfs/dbraw/zinc/07/65/96/1042076596.db2.gz OKHXSVSHKVTXHC-UHFFFAOYSA-N 1 0 325.452 4.371 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000464656885 1042109357 /nfs/dbraw/zinc/10/93/57/1042109357.db2.gz QGXLSBCSZHHZDI-QZTJIDSGSA-N 1 0 328.500 4.137 20 30 EIEDRO N#CCCCOc1cccc(NCc2cncn2Cc2ccccc2)c1 ZINC000438307404 1042129742 /nfs/dbraw/zinc/12/97/42/1042129742.db2.gz UWNVMEQPVNXMAC-UHFFFAOYSA-N 1 0 346.434 4.226 20 30 EIEDRO CC[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000464771663 1042150838 /nfs/dbraw/zinc/15/08/38/1042150838.db2.gz GJIJRLIALMEPAX-GOSISDBHSA-N 1 0 333.863 4.052 20 30 EIEDRO Cc1ccc(CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]2CCCO2)cc1 ZINC000464776193 1042157125 /nfs/dbraw/zinc/15/71/25/1042157125.db2.gz KTGMILKFCZACEO-QFIPXVFZSA-N 1 0 334.463 4.090 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(CSCC)c2)CC1 ZINC000438381320 1042157375 /nfs/dbraw/zinc/15/73/75/1042157375.db2.gz LXPFCSBQHMPDDX-UHFFFAOYSA-N 1 0 347.528 4.102 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccc(C#N)cc1 ZINC000541911743 1042167452 /nfs/dbraw/zinc/16/74/52/1042167452.db2.gz ALVBZDCOFZTJLZ-XGHQBKJUSA-N 1 0 325.500 4.252 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCOCCc1ccccc1 ZINC000464818145 1042176718 /nfs/dbraw/zinc/17/67/18/1042176718.db2.gz KELOSUBCMFMBLB-XZOQPEGZSA-N 1 0 348.490 4.408 20 30 EIEDRO COc1ccc(C[NH+](C2CCC2)C2CCC2)cc1OCCCC#N ZINC000292898100 1042178838 /nfs/dbraw/zinc/17/88/38/1042178838.db2.gz ZRVSFPQJTCJLKQ-UHFFFAOYSA-N 1 0 328.456 4.285 20 30 EIEDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCC(C)(C)CC1 ZINC000438478016 1042200284 /nfs/dbraw/zinc/20/02/84/1042200284.db2.gz LBDQODAUTHXERT-UHFFFAOYSA-N 1 0 333.863 4.051 20 30 EIEDRO CC(C)(CCc1ccccc1)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000464899076 1042218019 /nfs/dbraw/zinc/21/80/19/1042218019.db2.gz SEVACVGGCOWZLA-UHFFFAOYSA-N 1 0 346.434 4.109 20 30 EIEDRO Cc1cc(C)n(-c2ccc(C[NH2+]C3(c4cccc(C#N)c4)CC3)cc2)n1 ZINC000271740517 1042271668 /nfs/dbraw/zinc/27/16/68/1042271668.db2.gz CBSNTNRVPGWHQE-UHFFFAOYSA-N 1 0 342.446 4.140 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542107069 1042288956 /nfs/dbraw/zinc/28/89/56/1042288956.db2.gz ZQJNJJSQFJGARU-SAHWJRBASA-N 1 0 345.490 4.359 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)CCCc2ccc(C(C)(C)C)cc2)CC1 ZINC000517988143 1042301519 /nfs/dbraw/zinc/30/15/19/1042301519.db2.gz JFCQQKHIAISKIN-UHFFFAOYSA-N 1 0 342.527 4.073 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000438734036 1042323280 /nfs/dbraw/zinc/32/32/80/1042323280.db2.gz QMNBJRXFFZDUBK-NRFANRHFSA-N 1 0 345.446 4.039 20 30 EIEDRO CCN(Cc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000542282684 1042368906 /nfs/dbraw/zinc/36/89/06/1042368906.db2.gz ZJUSIFWSPXIVGX-WMZHIEFXSA-N 1 0 347.506 4.410 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295066085 1042429955 /nfs/dbraw/zinc/42/99/55/1042429955.db2.gz OVHLPDGPPBKHSQ-ULQDDVLXSA-N 1 0 327.472 4.199 20 30 EIEDRO COC1CCC(C)(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000518262982 1042448398 /nfs/dbraw/zinc/44/83/98/1042448398.db2.gz ZOFXRJUWPRCHDM-UHFFFAOYSA-N 1 0 340.389 4.262 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000438986940 1042451996 /nfs/dbraw/zinc/45/19/96/1042451996.db2.gz OFXSFKQTBKTVBP-PKOBYXMFSA-N 1 0 327.447 4.001 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000438986937 1042452007 /nfs/dbraw/zinc/45/20/07/1042452007.db2.gz OFXSFKQTBKTVBP-IEBWSBKVSA-N 1 0 327.447 4.001 20 30 EIEDRO C=CCC[C@H]([NH2+]CC1(c2cc(C)ccc2OC)CCOCC1)C1CC1 ZINC000439079539 1042487681 /nfs/dbraw/zinc/48/76/81/1042487681.db2.gz SBVXFSDKAPAAAX-FQEVSTJZSA-N 1 0 343.511 4.386 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000271900922 1042490889 /nfs/dbraw/zinc/49/08/89/1042490889.db2.gz ALIFMODOCIWQND-HUUCEWRRSA-N 1 0 341.405 4.014 20 30 EIEDRO C#C[C@H]([NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000491745663 1042497338 /nfs/dbraw/zinc/49/73/38/1042497338.db2.gz XXNMGQZBQWVFOT-SFHVURJKSA-N 1 0 346.902 4.031 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3Br)CC2)C1 ZINC000426298792 1042537271 /nfs/dbraw/zinc/53/72/71/1042537271.db2.gz PLDCHDZYDKPNKP-HIFRSBDPSA-N 1 0 333.273 4.196 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@H]1OCCc2sccc21)c1ccc(C#N)cc1F ZINC000426313624 1042549708 /nfs/dbraw/zinc/54/97/08/1042549708.db2.gz NJMYIJDFNHWHOO-OAVHHTNSSA-N 1 0 330.428 4.112 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1 ZINC000492262119 1042591123 /nfs/dbraw/zinc/59/11/23/1042591123.db2.gz WTOKRUNCRVWLPL-LIRRHRJNSA-N 1 0 329.465 4.105 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439430982 1042623032 /nfs/dbraw/zinc/62/30/32/1042623032.db2.gz OCZKBCZJFYSOQQ-RVKKMQEKSA-N 1 0 331.891 4.049 20 30 EIEDRO C=CC[C@H](CC)NC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000439435692 1042624408 /nfs/dbraw/zinc/62/44/08/1042624408.db2.gz VFECACWYYCTXKU-KRWDZBQOSA-N 1 0 345.487 4.028 20 30 EIEDRO COCCN(Cc1ccc(C#N)cc1Cl)[C@H](C)c1ccccc1 ZINC000439462468 1042646998 /nfs/dbraw/zinc/64/69/98/1042646998.db2.gz POAALPFOLGODOQ-OAHLLOKOSA-N 1 0 328.843 4.421 20 30 EIEDRO COc1ccccc1C[N@H+](CCCC(C)(C)C#N)C[C@H]1CCCO1 ZINC000174863368 1042717515 /nfs/dbraw/zinc/71/75/15/1042717515.db2.gz UOSXIORNUCAISY-GOSISDBHSA-N 1 0 330.472 4.006 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCCC2(C)C)ccc1Cl ZINC000492914192 1042767744 /nfs/dbraw/zinc/76/77/44/1042767744.db2.gz TZSOKKYAPHQWHY-QGZVFWFLSA-N 1 0 347.890 4.063 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2C[C@H](C)c3c2cccc3Br)CC1 ZINC000177911038 1042854498 /nfs/dbraw/zinc/85/44/98/1042854498.db2.gz YMOCWONYCZRAMW-SUMWQHHRSA-N 1 0 349.316 4.237 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)c(OC)c1 ZINC000178509191 1042868588 /nfs/dbraw/zinc/86/85/88/1042868588.db2.gz DQCXZYPLGZRMKJ-UHFFFAOYSA-N 1 0 338.451 4.137 20 30 EIEDRO Cc1ccccc1CC(C)(C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000237195406 1042901820 /nfs/dbraw/zinc/90/18/20/1042901820.db2.gz FFKWOWRJFYEYEO-UHFFFAOYSA-N 1 0 335.495 4.456 20 30 EIEDRO C#CC[C@H]1CCC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895100952 1042988589 /nfs/dbraw/zinc/98/85/89/1042988589.db2.gz GEVSUVUFTCEKBE-AWEZNQCLSA-N 1 0 334.485 4.330 20 30 EIEDRO CC(C)(C#N)c1ccc(CN(c2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895115321 1043035850 /nfs/dbraw/zinc/03/58/50/1043035850.db2.gz OVFFGGPDCUNZSD-MXVIHJGJSA-N 1 0 348.494 4.159 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1C#N ZINC000625380439 1043063596 /nfs/dbraw/zinc/06/35/96/1043063596.db2.gz SUDBBXNSVYLSAM-UHFFFAOYSA-N 1 0 336.410 4.101 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3oc(C)c(C)c3c2)CC1 ZINC000186455856 1043133934 /nfs/dbraw/zinc/13/39/34/1043133934.db2.gz ODYIBIGSTIWBMS-UHFFFAOYSA-N 1 0 341.455 4.212 20 30 EIEDRO N#CCSCCC[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429159463 1043154146 /nfs/dbraw/zinc/15/41/46/1043154146.db2.gz LZORXDVLYARLJK-HNNXBMFYSA-N 1 0 326.918 4.153 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000185827286 1043221947 /nfs/dbraw/zinc/22/19/47/1043221947.db2.gz JTCPORZEMKFVCT-SJLPKXTDSA-N 1 0 330.435 4.402 20 30 EIEDRO CCCCCCCOc1cccc(C[NH2+]C2CCN(C(C)=O)CC2)c1 ZINC000727644895 1043254463 /nfs/dbraw/zinc/25/44/63/1043254463.db2.gz XSAKRQSBLKGJEJ-UHFFFAOYSA-N 1 0 346.515 4.136 20 30 EIEDRO CCCCO[C@H]1C[C@@H]([N@H+](C)CCCC2(C#N)CCOCC2)C1(C)C ZINC000499554313 1043263454 /nfs/dbraw/zinc/26/34/54/1043263454.db2.gz UEQIVLCAENJJFN-MSOLQXFVSA-N 1 0 336.520 4.003 20 30 EIEDRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)Cc1cccc(C#N)c1 ZINC000520792157 1043289875 /nfs/dbraw/zinc/28/98/75/1043289875.db2.gz GGFYNPRTPIGCOJ-UHFFFAOYSA-N 1 0 348.368 4.478 20 30 EIEDRO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000366865397 1043307662 /nfs/dbraw/zinc/30/76/62/1043307662.db2.gz CKCCBEPZHHPFAR-ICSRJNTNSA-N 1 0 326.484 4.355 20 30 EIEDRO C[N@H+](CCc1cccs1)Cc1ccc(Br)cc1C#N ZINC000311664239 1043325016 /nfs/dbraw/zinc/32/50/16/1043325016.db2.gz XDFKHRHTMGAHCW-UHFFFAOYSA-N 1 0 335.270 4.057 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(OCc3ccccc3)cc2)cc1 ZINC000311799435 1043347493 /nfs/dbraw/zinc/34/74/93/1043347493.db2.gz NHSCBMLSLKAQEK-UHFFFAOYSA-N 1 0 342.442 4.470 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000625703010 1043359446 /nfs/dbraw/zinc/35/94/46/1043359446.db2.gz JNOMHCFAHSLWRX-LBPRGKRZSA-N 1 0 327.255 4.220 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000625703309 1043360191 /nfs/dbraw/zinc/36/01/91/1043360191.db2.gz MSZDUGQSQDWWFG-CQSZACIVSA-N 1 0 344.480 4.225 20 30 EIEDRO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000625705265 1043362219 /nfs/dbraw/zinc/36/22/19/1043362219.db2.gz ZMMVTVSBHUNQDT-CYBMUJFWSA-N 1 0 329.469 4.075 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648000126 1043447740 /nfs/dbraw/zinc/44/77/40/1043447740.db2.gz UJPQOJVFUZLBKX-UHFFFAOYSA-N 1 0 327.453 4.238 20 30 EIEDRO C=CCCCC[NH+]1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000520967438 1043464784 /nfs/dbraw/zinc/46/47/84/1043464784.db2.gz ASMOSTGIRRXRQU-UHFFFAOYSA-N 1 0 341.455 4.281 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CSc3ccc(Br)cc32)C1 ZINC000494445863 1043486858 /nfs/dbraw/zinc/48/68/58/1043486858.db2.gz SLXAPYXLICLCBC-QKCSRTOESA-N 1 0 337.286 4.268 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CSc3ccc(Br)cc32)C1 ZINC000494445864 1043487366 /nfs/dbraw/zinc/48/73/66/1043487366.db2.gz SLXAPYXLICLCBC-SCDSUCTJSA-N 1 0 337.286 4.268 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033845 1043586641 /nfs/dbraw/zinc/58/66/41/1043586641.db2.gz QDSFUIFNVZUQRT-HYFFOGBASA-N 1 0 333.479 4.359 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC)c(Cl)c2)cc1OC ZINC000132260282 1043608039 /nfs/dbraw/zinc/60/80/39/1043608039.db2.gz VLMZBMJVRZYZSF-UHFFFAOYSA-N 1 0 347.842 4.212 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000078440916 1043625090 /nfs/dbraw/zinc/62/50/90/1043625090.db2.gz VFAZYFDGVCIICX-UHFFFAOYSA-N 1 0 326.827 4.255 20 30 EIEDRO CC(C)C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(C#N)cc1 ZINC000521196335 1043645594 /nfs/dbraw/zinc/64/55/94/1043645594.db2.gz BMRCVGCTFQDHFB-UHFFFAOYSA-N 1 0 342.446 4.341 20 30 EIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2nc3ccccc3[nH]2)CC1 ZINC000733902090 1043646157 /nfs/dbraw/zinc/64/61/57/1043646157.db2.gz LINPUXOXURQFMU-KBXCAEBGSA-N 1 0 325.460 4.005 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c(Br)cccc32)cc1 ZINC000783502640 1043648900 /nfs/dbraw/zinc/64/89/00/1043648900.db2.gz OFIDPNZLYDSFDN-GOSISDBHSA-N 1 0 341.252 4.488 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000731041498 1043681824 /nfs/dbraw/zinc/68/18/24/1043681824.db2.gz CKKHKWBENDYUKK-UHFFFAOYSA-N 1 0 348.490 4.225 20 30 EIEDRO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1SC ZINC000171949351 1043700152 /nfs/dbraw/zinc/70/01/52/1043700152.db2.gz GSBGLEBICGWXOA-UHFFFAOYSA-N 1 0 338.476 4.453 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000190374948 1043706007 /nfs/dbraw/zinc/70/60/07/1043706007.db2.gz LZTUUWGVSMBOHU-UHFFFAOYSA-N 1 0 328.378 4.346 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000172397060 1043769790 /nfs/dbraw/zinc/76/97/90/1043769790.db2.gz DDDOFLNQYXLGPH-GOSISDBHSA-N 1 0 334.463 4.343 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000313711823 1043787103 /nfs/dbraw/zinc/78/71/03/1043787103.db2.gz IZKOKDOITHGLLE-ZDUSSCGKSA-N 1 0 329.241 4.214 20 30 EIEDRO N#CCC[N@H+](Cc1cccnc1)Cn1ccc(=S)c2ccccc21 ZINC000731658186 1043809014 /nfs/dbraw/zinc/80/90/14/1043809014.db2.gz DKPVGKAMIYWXHL-UHFFFAOYSA-N 1 0 334.448 4.139 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1C#N ZINC000172688498 1043814802 /nfs/dbraw/zinc/81/48/02/1043814802.db2.gz RNBKIWITIHIZMR-INIZCTEOSA-N 1 0 328.412 4.033 20 30 EIEDRO CCOc1ccc(Oc2cc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)ccn2)cc1 ZINC000442716486 1043822155 /nfs/dbraw/zinc/82/21/55/1043822155.db2.gz OCOMVUKRHYTVAA-NVXWUHKLSA-N 1 0 337.423 4.054 20 30 EIEDRO CCOc1ccc(Oc2cc(C[NH2+][C@H]3CC[C@H](C#N)C3)ccn2)cc1 ZINC000442716487 1043822615 /nfs/dbraw/zinc/82/26/15/1043822615.db2.gz OCOMVUKRHYTVAA-RDJZCZTQSA-N 1 0 337.423 4.054 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000442843766 1043855990 /nfs/dbraw/zinc/85/59/90/1043855990.db2.gz UFGMZZVOSDOJHC-KBAYOESNSA-N 1 0 347.300 4.442 20 30 EIEDRO COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)cc1 ZINC000442847682 1043856315 /nfs/dbraw/zinc/85/63/15/1043856315.db2.gz QVTKXDBYDPKCTD-ZWKOTPCHSA-N 1 0 336.435 4.312 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1Cl ZINC000442863709 1043866799 /nfs/dbraw/zinc/86/67/99/1043866799.db2.gz ADYHITGJTDSBTN-FHERZECASA-N 1 0 347.890 4.285 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000442865610 1043868689 /nfs/dbraw/zinc/86/86/89/1043868689.db2.gz INSSQXXQGSBJHM-DEQVHRJGSA-N 1 0 337.236 4.116 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000442872150 1043872219 /nfs/dbraw/zinc/87/22/19/1043872219.db2.gz HIUYVEUBTOFUKB-WWDZGPRUSA-N 1 0 341.499 4.447 20 30 EIEDRO CC(C)[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000442859079 1043877261 /nfs/dbraw/zinc/87/72/61/1043877261.db2.gz UQKSDJZNFDHXGW-WTNGLUPJSA-N 1 0 327.428 4.150 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1cccc(O)c1 ZINC000442876946 1043877692 /nfs/dbraw/zinc/87/76/92/1043877692.db2.gz SVELUJKKFQEXAZ-IJNIYJAUSA-N 1 0 336.435 4.305 20 30 EIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)c(OC)c1)CCC2 ZINC000442877286 1043877853 /nfs/dbraw/zinc/87/78/53/1043877853.db2.gz ADIAPCHYUJKSSK-MRXNPFEDSA-N 1 0 341.480 4.095 20 30 EIEDRO COc1cc(C[N@H+](CC(C)C)[C@@H]2CCCc3cccnc32)ccc1C#N ZINC000442858978 1043878278 /nfs/dbraw/zinc/87/82/78/1043878278.db2.gz WDJMGIYTSYFJKF-HXUWFJFHSA-N 1 0 349.478 4.497 20 30 EIEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000439065162 1043880642 /nfs/dbraw/zinc/88/06/42/1043880642.db2.gz ITAAIEPVVKXOSF-UHFFFAOYSA-N 1 0 347.462 4.351 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2OC(C)(C)C)CC1 ZINC000115777792 1044005812 /nfs/dbraw/zinc/00/58/12/1044005812.db2.gz FXHDIVKIVRURCO-UHFFFAOYSA-N 1 0 345.487 4.026 20 30 EIEDRO CC(C)CCC[C@H](C)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000521823468 1044013201 /nfs/dbraw/zinc/01/32/01/1044013201.db2.gz XMBYHBRABZPKLU-SFHVURJKSA-N 1 0 343.515 4.100 20 30 EIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1OC ZINC000543183510 1044062331 /nfs/dbraw/zinc/06/23/31/1044062331.db2.gz RVWRRUCMZZNVKP-MRXNPFEDSA-N 1 0 338.451 4.401 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000487425375 1044070099 /nfs/dbraw/zinc/07/00/99/1044070099.db2.gz GODSHAQYNXHKBN-JOCHJYFZSA-N 1 0 348.490 4.360 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1OCC ZINC000543184571 1044070993 /nfs/dbraw/zinc/07/09/93/1044070993.db2.gz DHRHIKXFQGIHCF-INIZCTEOSA-N 1 0 338.451 4.401 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCOc1cccc3cccnc31)CC2 ZINC000522040102 1044184771 /nfs/dbraw/zinc/18/47/71/1044184771.db2.gz ZAWMRMWOGSAMEP-HXUWFJFHSA-N 1 0 343.430 4.152 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCOc2ccccc2C(C)C)cc1 ZINC000733328716 1044193495 /nfs/dbraw/zinc/19/34/95/1044193495.db2.gz ZPLATVHDTDSWTN-UHFFFAOYSA-N 1 0 337.463 4.381 20 30 EIEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)c3cccc(C#N)c3)ccc2NC1=O ZINC000245820824 1044195566 /nfs/dbraw/zinc/19/55/66/1044195566.db2.gz AARGFYVUTJARIZ-TYILLQQXSA-N 1 0 349.434 4.080 20 30 EIEDRO CC1(C)C[C@H]([NH2+]CCc2cccc(C#N)c2)c2cc([N+](=O)[O-])ccc21 ZINC000467449566 1044205771 /nfs/dbraw/zinc/20/57/71/1044205771.db2.gz QNQLVAVVTCOZSM-IBGZPJMESA-N 1 0 335.407 4.021 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CC1(c2cccc(Br)c2)CC1 ZINC000174398833 1044269624 /nfs/dbraw/zinc/26/96/24/1044269624.db2.gz UDERXZTUAQLWJR-UHFFFAOYSA-N 1 0 335.289 4.400 20 30 EIEDRO C=CCN(C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C(C)C ZINC000733658706 1044278570 /nfs/dbraw/zinc/27/85/70/1044278570.db2.gz WSDTZHFXMZJAFG-GOSISDBHSA-N 1 0 343.515 4.256 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(N=Nc3nc4ccccc4[nH]3)CC2)C1 ZINC000733745513 1044297514 /nfs/dbraw/zinc/29/75/14/1044297514.db2.gz NTBFEEKXKIHPFT-HOCLYGCPSA-N 1 0 325.460 4.005 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(N=Nc3cnc4ccccc4n3)CC2)C1 ZINC000733747068 1044299827 /nfs/dbraw/zinc/29/98/27/1044299827.db2.gz FLVHCLVEZRTKHJ-DOTOQJQBSA-N 1 0 337.471 4.072 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)c1 ZINC000383834836 1044348456 /nfs/dbraw/zinc/34/84/56/1044348456.db2.gz TYOCEBYJOFFHOQ-UHFFFAOYSA-N 1 0 334.444 4.489 20 30 EIEDRO C=CCCCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474080461 1044368228 /nfs/dbraw/zinc/36/82/28/1044368228.db2.gz NFUYYTSTQJYRRU-AZUAARDMSA-N 1 0 343.515 4.037 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000466414526 1044413770 /nfs/dbraw/zinc/41/37/70/1044413770.db2.gz KGSVWWLRUGYYKH-KNQAVFIVSA-N 1 0 340.511 4.103 20 30 EIEDRO C[NH+](C)CCc1ccc(CNc2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000466435068 1044470644 /nfs/dbraw/zinc/47/06/44/1044470644.db2.gz WCDUTSFFPZLGES-UHFFFAOYSA-N 1 0 347.384 4.293 20 30 EIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474096877 1044476932 /nfs/dbraw/zinc/47/69/32/1044476932.db2.gz KLIUEWJOLPZWHF-FZMZJTMJSA-N 1 0 327.255 4.043 20 30 EIEDRO C[C@@H](C/N=C/c1c(O)ccc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000914558316 1044481882 /nfs/dbraw/zinc/48/18/82/1044481882.db2.gz SSLYWGFGDWWMQD-SYXCRGJESA-N 1 0 344.458 4.411 20 30 EIEDRO C=CC[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000494903000 1044490472 /nfs/dbraw/zinc/49/04/72/1044490472.db2.gz RXSGOSLMDDTIRT-QFIPXVFZSA-N 1 0 348.490 4.081 20 30 EIEDRO C=C(C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl)c1ccccc1 ZINC000675782484 1044496581 /nfs/dbraw/zinc/49/65/81/1044496581.db2.gz UNQUICSZYRLKRL-OAHLLOKOSA-N 1 0 338.842 4.285 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C[C@H](O)c1ccccc1F ZINC000914573080 1044499355 /nfs/dbraw/zinc/49/93/55/1044499355.db2.gz WVULWKCIYDCESZ-HNNXBMFYSA-N 1 0 325.836 4.262 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000543395002 1044505888 /nfs/dbraw/zinc/50/58/88/1044505888.db2.gz TUGUAEORTHCEDI-WOJBJXKFSA-N 1 0 348.475 4.206 20 30 EIEDRO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCSC1 ZINC000494939831 1044536500 /nfs/dbraw/zinc/53/65/00/1044536500.db2.gz KRIAWKBODBMXOK-LBPRGKRZSA-N 1 0 344.293 4.329 20 30 EIEDRO C=CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccncc1 ZINC000734456868 1044576132 /nfs/dbraw/zinc/57/61/32/1044576132.db2.gz DPHNLUXMRGPBGH-NRFANRHFSA-N 1 0 349.478 4.115 20 30 EIEDRO CC(C)CSCCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000443635365 1044578879 /nfs/dbraw/zinc/57/88/79/1044578879.db2.gz WYTSQXSHLAPQHW-UHFFFAOYSA-N 1 0 332.513 4.181 20 30 EIEDRO C=CC[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000494993447 1044584045 /nfs/dbraw/zinc/58/40/45/1044584045.db2.gz BNDZWPZLKQHTHC-HXUWFJFHSA-N 1 0 328.500 4.117 20 30 EIEDRO C=CC[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000495023979 1044597790 /nfs/dbraw/zinc/59/77/90/1044597790.db2.gz CBNBIPHGTCZAAF-QFIPXVFZSA-N 1 0 348.490 4.259 20 30 EIEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NOCc2ccccc2)c1C ZINC000914695052 1044669688 /nfs/dbraw/zinc/66/96/88/1044669688.db2.gz CKTFOIWLTOVWPF-NRFANRHFSA-N 1 0 339.483 4.140 20 30 EIEDRO C[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000154213014 1044690283 /nfs/dbraw/zinc/69/02/83/1044690283.db2.gz ZWSBXOWQMLEQFK-LLVKDONJSA-N 1 0 335.238 4.023 20 30 EIEDRO C=CC[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)c1ccccc1 ZINC000495145514 1044720754 /nfs/dbraw/zinc/72/07/54/1044720754.db2.gz GPFRRXZPUHJMIY-MOPGFXCFSA-N 1 0 340.467 4.139 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccccc1OCc1cccnc1 ZINC000495185259 1044763147 /nfs/dbraw/zinc/76/31/47/1044763147.db2.gz UHZICIHKDVRTAI-UHFFFAOYSA-N 1 0 348.446 4.484 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000474194426 1044777001 /nfs/dbraw/zinc/77/70/01/1044777001.db2.gz ODXLKFWJKUAEQB-NVXWUHKLSA-N 1 0 342.405 4.027 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2csc(-c3ccsc3)n2)CC1 ZINC000106244935 1044782218 /nfs/dbraw/zinc/78/22/18/1044782218.db2.gz KEIJGSLSFFERCC-UHFFFAOYSA-N 1 0 333.526 4.002 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000735309192 1044798643 /nfs/dbraw/zinc/79/86/43/1044798643.db2.gz ISXJNCZQZILLLU-OAHLLOKOSA-N 1 0 344.817 4.371 20 30 EIEDRO CCS[C@H]1CCCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310757 1044798839 /nfs/dbraw/zinc/79/88/39/1044798839.db2.gz FCIAULMCMZZNJV-INIZCTEOSA-N 1 0 338.904 4.350 20 30 EIEDRO N#CCCc1ccc(NCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000922552807 1044808153 /nfs/dbraw/zinc/80/81/53/1044808153.db2.gz MTWZUUWWESCBRW-UHFFFAOYSA-N 1 0 349.478 4.229 20 30 EIEDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)c1 ZINC000474240974 1044814063 /nfs/dbraw/zinc/81/40/63/1044814063.db2.gz SODDAMFJIITPAF-NRFANRHFSA-N 1 0 347.462 4.341 20 30 EIEDRO C[C@H]1C[C@H](N(C)Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000124063107 1044820959 /nfs/dbraw/zinc/82/09/59/1044820959.db2.gz NFNZIEQYHMRTMZ-FUHWJXTLSA-N 1 0 339.508 4.105 20 30 EIEDRO C=CCCC[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccccc1 ZINC000895639102 1044835135 /nfs/dbraw/zinc/83/51/35/1044835135.db2.gz YKYIIESPJXACFM-SFHVURJKSA-N 1 0 336.435 4.205 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000154886670 1044845065 /nfs/dbraw/zinc/84/50/65/1044845065.db2.gz IFQWWPPFKAJRFB-UHFFFAOYSA-N 1 0 347.466 4.296 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1cc(F)ccc1OC ZINC000922623421 1044849138 /nfs/dbraw/zinc/84/91/38/1044849138.db2.gz UXUFJWBRIBKDKY-KUHUBIRLSA-N 1 0 342.414 4.366 20 30 EIEDRO C=CCOCCC[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428927270 1044864881 /nfs/dbraw/zinc/86/48/81/1044864881.db2.gz IOYMUUHRHDJSHQ-PBHICJAKSA-N 1 0 343.389 4.060 20 30 EIEDRO CC1(C)C[C@@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C(C)(C)O1 ZINC000922951259 1044875839 /nfs/dbraw/zinc/87/58/39/1044875839.db2.gz LXJKWXWHVZHJFO-KRWDZBQOSA-N 1 0 330.472 4.052 20 30 EIEDRO C=CCOCC[NH2+][C@@H](COc1c(C)cccc1C)c1ccccc1 ZINC001168485578 1044880469 /nfs/dbraw/zinc/88/04/69/1044880469.db2.gz GXYDQIMZIUPWPR-FQEVSTJZSA-N 1 0 325.452 4.216 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)ccc1OC ZINC000766214224 1044881088 /nfs/dbraw/zinc/88/10/88/1044881088.db2.gz LQMJDKZYOVBWCU-USXIJHARSA-N 1 0 330.472 4.290 20 30 EIEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000922665221 1044881335 /nfs/dbraw/zinc/88/13/35/1044881335.db2.gz JNCRYFYRYKXWFQ-MRXNPFEDSA-N 1 0 325.431 4.335 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc(Cl)cc2c1OCC2 ZINC000922985486 1044885254 /nfs/dbraw/zinc/88/52/54/1044885254.db2.gz AHNDKCKBVBCMKA-LLVKDONJSA-N 1 0 330.790 4.136 20 30 EIEDRO CC(C)C[C@](C)(C#N)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168033450 1044896209 /nfs/dbraw/zinc/89/62/09/1044896209.db2.gz KSQIJTCZKVRZGM-KOUHRCEDSA-N 1 0 327.516 4.346 20 30 EIEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000544566687 1044899937 /nfs/dbraw/zinc/89/99/37/1044899937.db2.gz JCKMEYDUTTZMKD-AAEUAGOBSA-N 1 0 347.812 4.277 20 30 EIEDRO CSCC[C@H](C)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000736365126 1044930309 /nfs/dbraw/zinc/93/03/09/1044930309.db2.gz UOSMJQKOHUGQJX-INIZCTEOSA-N 1 0 340.492 4.368 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)cc1 ZINC000736361137 1044931508 /nfs/dbraw/zinc/93/15/08/1044931508.db2.gz OJJAYOSHYFQVTL-MGPUTAFESA-N 1 0 343.854 4.218 20 30 EIEDRO C=CC[N@@H+](Cc1cc(Br)c(OCC)c(OC)c1)C1CC1 ZINC000543620989 1044960826 /nfs/dbraw/zinc/96/08/26/1044960826.db2.gz ABDPUJUDCISXBT-UHFFFAOYSA-N 1 0 340.261 4.007 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)CC2 ZINC000280182836 1044968678 /nfs/dbraw/zinc/96/86/78/1044968678.db2.gz RUASNASIQMNPIS-RBUKOAKNSA-N 1 0 336.435 4.326 20 30 EIEDRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1CCCC(C)(C)C#N ZINC000429007569 1045001595 /nfs/dbraw/zinc/00/15/95/1045001595.db2.gz VSSYPAUXMJULSB-AWEZNQCLSA-N 1 0 337.870 4.320 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000467562661 1045048664 /nfs/dbraw/zinc/04/86/64/1045048664.db2.gz CEROBBXZJUZKGZ-OAQYLSRUSA-N 1 0 328.500 4.137 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000542559642 1045170513 /nfs/dbraw/zinc/17/05/13/1045170513.db2.gz VJENGVMZIJSYNH-CHWSQXEVSA-N 1 0 326.893 4.031 20 30 EIEDRO N#CCSCCC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000466744194 1045175201 /nfs/dbraw/zinc/17/52/01/1045175201.db2.gz DBEUARCMSZESHU-UHFFFAOYSA-N 1 0 328.456 4.475 20 30 EIEDRO CC[C@H]1CCCCCN1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000739926335 1045176275 /nfs/dbraw/zinc/17/62/75/1045176275.db2.gz DEWOJOIDEKACDY-LSDHHAIUSA-N 1 0 341.480 4.127 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccncc1 ZINC000766018424 1045192397 /nfs/dbraw/zinc/19/23/97/1045192397.db2.gz HSYSGPNIWLHHCU-RHSMWYFYSA-N 1 0 342.439 4.075 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(OC)c(COC)c1)c1ccncc1 ZINC000766018366 1045193170 /nfs/dbraw/zinc/19/31/70/1045193170.db2.gz GZINRGRTPDITEL-BEFAXECRSA-N 1 0 326.440 4.205 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2scnc2C2CC2)cc1 ZINC000487319004 1045225339 /nfs/dbraw/zinc/22/53/39/1045225339.db2.gz IDXILWSCSLHRHQ-UHFFFAOYSA-N 1 0 336.382 4.181 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](CC)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000766020991 1045232708 /nfs/dbraw/zinc/23/27/08/1045232708.db2.gz RZEQHGOLZDPLII-MSOLQXFVSA-N 1 0 326.440 4.457 20 30 EIEDRO CCCCCCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000740876703 1045235292 /nfs/dbraw/zinc/23/52/92/1045235292.db2.gz ZSOIYVBFCJXNLF-UHFFFAOYSA-N 1 0 327.472 4.179 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccncc1 ZINC000766021932 1045236356 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C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1cccc(C#N)c1 ZINC000611387246 1045294992 /nfs/dbraw/zinc/29/49/92/1045294992.db2.gz INQLDBUQTCUSNX-HNNXBMFYSA-N 1 0 329.403 4.001 20 30 EIEDRO CC(C)(C)OC(=O)NC1CC([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000495683466 1045296294 /nfs/dbraw/zinc/29/62/94/1045296294.db2.gz CBFUCHCFVAWZLP-DAWZGUTISA-N 1 0 343.471 4.067 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccc2ccccc2n1 ZINC000611392575 1045297581 /nfs/dbraw/zinc/29/75/81/1045297581.db2.gz WMONQZFTINWMNR-JOCHJYFZSA-N 1 0 327.431 4.316 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1-n1cccn1 ZINC000611394010 1045298344 /nfs/dbraw/zinc/29/83/44/1045298344.db2.gz XQNFWHICPNSXGH-HRAATJIYSA-N 1 0 342.446 4.472 20 30 EIEDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611393052 1045298886 /nfs/dbraw/zinc/29/88/86/1045298886.db2.gz FEMJPJVFFBQZHC-PMACEKPBSA-N 1 0 334.419 4.058 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000611394100 1045298908 /nfs/dbraw/zinc/29/89/08/1045298908.db2.gz GSXJIIZYWVQRSK-IBGZPJMESA-N 1 0 342.389 4.369 20 30 EIEDRO COc1ccc(O[C@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611393190 1045299075 /nfs/dbraw/zinc/29/90/75/1045299075.db2.gz NNZDTYOMKFYVQF-QVKFZJNVSA-N 1 0 336.435 4.001 20 30 EIEDRO COc1ccc(O[C@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611393191 1045299490 /nfs/dbraw/zinc/29/94/90/1045299490.db2.gz NNZDTYOMKFYVQF-VFNWGFHPSA-N 1 0 336.435 4.001 20 30 EIEDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1ccnc(C#N)c1 ZINC000611396407 1045300558 /nfs/dbraw/zinc/30/05/58/1045300558.db2.gz ZIIPWMBUWWHFHW-GOSISDBHSA-N 1 0 343.858 4.492 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000611390174 1045301748 /nfs/dbraw/zinc/30/17/48/1045301748.db2.gz HTRIVDNOBYGERC-IBGZPJMESA-N 1 0 342.389 4.369 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000611391261 1045302806 /nfs/dbraw/zinc/30/28/06/1045302806.db2.gz LUMDPPAVBIJKLZ-VGSWGCGISA-N 1 0 349.453 4.191 20 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/nfs/dbraw/zinc/45/82/21/1045458221.db2.gz GPSNPTKVEIRCMC-HXUWFJFHSA-N 1 0 345.531 4.114 20 30 EIEDRO CC[N@H+](Cc1cncc(Br)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193758722 1045462759 /nfs/dbraw/zinc/46/27/59/1045462759.db2.gz VVDMLODEHXWYMQ-ZDUSSCGKSA-N 1 0 344.256 4.299 20 30 EIEDRO CCCCC[C@H]1CCC[N@@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000767761724 1045631092 /nfs/dbraw/zinc/63/10/92/1045631092.db2.gz KULKNVQJXKUAOO-IBGZPJMESA-N 1 0 337.471 4.127 20 30 EIEDRO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](O)c1ccc(C)cc1 ZINC000767902005 1045676678 /nfs/dbraw/zinc/67/66/78/1045676678.db2.gz VLPWLHAMAVOMDZ-NRFANRHFSA-N 1 0 336.479 4.352 20 30 EIEDRO CCOc1ccc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000768164369 1045734904 /nfs/dbraw/zinc/73/49/04/1045734904.db2.gz ZDJNHHPTPSRXMF-UHFFFAOYSA-N 1 0 337.467 4.067 20 30 EIEDRO C[C@@H]1CC[C@H]([NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)C1 ZINC001170154347 1045736764 /nfs/dbraw/zinc/73/67/64/1045736764.db2.gz XWFLDNHEADZXJQ-PBHICJAKSA-N 1 0 347.300 4.495 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCOc2ccccc2Cl)cc1 ZINC000768212520 1045753566 /nfs/dbraw/zinc/75/35/66/1045753566.db2.gz KZASNRXJSMAOJN-HNNXBMFYSA-N 1 0 344.842 4.142 20 30 EIEDRO COCCCC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1 ZINC000791608917 1045772816 /nfs/dbraw/zinc/77/28/16/1045772816.db2.gz AJKCFUPTEFKQSS-HXUWFJFHSA-N 1 0 338.451 4.214 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000763231432 1045780880 /nfs/dbraw/zinc/78/08/80/1045780880.db2.gz AMXZGZYJYPNVTA-DLBZAZTESA-N 1 0 344.867 4.072 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N=Nc3cc(C#N)cc(Cl)n3)CC2)C1 ZINC000768376020 1045802575 /nfs/dbraw/zinc/80/25/75/1045802575.db2.gz QNUPKTNUMKLNHQ-CJNGLKHVSA-N 1 0 345.878 4.049 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3cncc4ccccc43)CC2)c1 ZINC000768893453 1045854661 /nfs/dbraw/zinc/85/46/61/1045854661.db2.gz QGLSXNVUVLVOOI-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@H+](CCCCC(C)(C)C#N)C2)C1 ZINC000496342146 1045920849 /nfs/dbraw/zinc/92/08/49/1045920849.db2.gz MSVYEMULQFPHND-HXUWFJFHSA-N 1 0 349.519 4.039 20 30 EIEDRO Fc1ccccc1CCNN=Cc1c(Cl)cccc1N1CCCC1 ZINC000763356999 1045924567 /nfs/dbraw/zinc/92/45/67/1045924567.db2.gz FIBBTCIQTVGFMI-UHFFFAOYSA-N 1 0 345.849 4.246 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(C#N)s2)nc1 ZINC001170199111 1045939032 /nfs/dbraw/zinc/93/90/32/1045939032.db2.gz IMCNPOKXUZNDOO-CQSZACIVSA-N 1 0 326.469 4.001 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000496494178 1045962465 /nfs/dbraw/zinc/96/24/65/1045962465.db2.gz QWAPCZQMEDAFIZ-OHTSDLOESA-N 1 0 349.519 4.228 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)cc1 ZINC000769470414 1045985215 /nfs/dbraw/zinc/98/52/15/1045985215.db2.gz MHHBDBWTGKFHPY-UHFFFAOYSA-N 1 0 348.490 4.474 20 30 EIEDRO N#Cc1ccc(F)c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001170331321 1046000780 /nfs/dbraw/zinc/00/07/80/1046000780.db2.gz RLPRPSSFCVGEPZ-LDLYASANSA-N 1 0 335.426 4.305 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc3ncoc3c2)CC1 ZINC001170365326 1046018332 /nfs/dbraw/zinc/01/83/32/1046018332.db2.gz WCXTUZWCMAIAPI-UHFFFAOYSA-N 1 0 331.419 4.322 20 30 EIEDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000496669643 1046022867 /nfs/dbraw/zinc/02/28/67/1046022867.db2.gz YVYRLXSYIVFNEU-CVEARBPZSA-N 1 0 337.508 4.084 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387149 1046024971 /nfs/dbraw/zinc/02/49/71/1046024971.db2.gz RTSUPUJQZZEHCA-UHFFFAOYSA-N 1 0 329.447 4.394 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC001170389662 1046025091 /nfs/dbraw/zinc/02/50/91/1046025091.db2.gz YBHMIUKOBDGOKO-VEDCXYSMSA-N 1 0 332.451 4.018 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH+]2CC(Oc3ccccc3)C2)CC1 ZINC001170389472 1046025370 /nfs/dbraw/zinc/02/53/70/1046025370.db2.gz UHQSXPUMMVDPKN-UHFFFAOYSA-N 1 0 332.447 4.154 20 30 EIEDRO CC[N@H+](CC(=O)OC(C)(C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389248 1046025638 /nfs/dbraw/zinc/02/56/38/1046025638.db2.gz OJCHIDXOSZRUSM-UHFFFAOYSA-N 1 0 342.483 4.054 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@H](COCC3CC3)C2)CC1 ZINC001170395743 1046028408 /nfs/dbraw/zinc/02/84/08/1046028408.db2.gz OJBGPWHNYDEJIP-KPQWGBOZSA-N 1 0 338.495 4.139 20 30 EIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCOc1ccccc1C#N ZINC001168509924 1046028986 /nfs/dbraw/zinc/02/89/86/1046028986.db2.gz PVTOKWLEMNJIKK-LJQANCHMSA-N 1 0 338.451 4.323 20 30 EIEDRO CC(C)(O)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC001170372070 1046031543 /nfs/dbraw/zinc/03/15/43/1046031543.db2.gz WOBXNZANPFWJQF-QKDPSFTKSA-N 1 0 348.490 4.492 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@H+]2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001170379064 1046034440 /nfs/dbraw/zinc/03/44/40/1046034440.db2.gz OXYJMSXKAOJPEO-ADKAHSJRSA-N 1 0 336.401 4.460 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)ccc1SC ZINC000191973270 1046036468 /nfs/dbraw/zinc/03/64/68/1046036468.db2.gz JDIFMRYETGEIFQ-UHFFFAOYSA-N 1 0 330.428 4.060 20 30 EIEDRO C[N@H+](C[C@@H]1Cc2ccccc2O1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170402889 1046039178 /nfs/dbraw/zinc/03/91/78/1046039178.db2.gz BTGRFHRBQLGLNY-QKDPSFTKSA-N 1 0 346.474 4.326 20 30 EIEDRO CC1(C)CC([NH+]2CCC(C#Cc3ccccc3)CC2)CC(C)(C)N1O ZINC001170009787 1046049795 /nfs/dbraw/zinc/04/97/95/1046049795.db2.gz RQGPUEJMUZEKAT-UHFFFAOYSA-N 1 0 340.511 4.161 20 30 EIEDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000769725695 1046054397 /nfs/dbraw/zinc/05/43/97/1046054397.db2.gz FDXLRSWIYTXBPX-INIZCTEOSA-N 1 0 337.508 4.038 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](CCCCC(C)(C)C#N)C2CC2)C1 ZINC000769772281 1046062430 /nfs/dbraw/zinc/06/24/30/1046062430.db2.gz OUUKLRNVEPDEHQ-QGZVFWFLSA-N 1 0 349.519 4.180 20 30 EIEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1CCCCC(C)(C)C#N ZINC000769788574 1046073413 /nfs/dbraw/zinc/07/34/13/1046073413.db2.gz DBDVSPUWFHMLNP-IYBDPMFKSA-N 1 0 337.508 4.036 20 30 EIEDRO CCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1OC ZINC000763409103 1046136723 /nfs/dbraw/zinc/13/67/23/1046136723.db2.gz TVSRYJCDWJDVEM-UZLBHIALSA-N 1 0 338.451 4.073 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc(C#N)c(C)c4)C3)nc2c1 ZINC000488164014 1046177227 /nfs/dbraw/zinc/17/72/27/1046177227.db2.gz PZKZYMHKZABWIZ-LJQANCHMSA-N 1 0 344.462 4.431 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000611578962 1046193908 /nfs/dbraw/zinc/19/39/08/1046193908.db2.gz GPZWIFUBJLRLPS-GOSISDBHSA-N 1 0 342.389 4.429 20 30 EIEDRO C#CCCOc1ccc(CNc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000770539300 1046220615 /nfs/dbraw/zinc/22/06/15/1046220615.db2.gz FURZYZDLIGFBKR-UHFFFAOYSA-N 1 0 348.490 4.339 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2cccc(F)c2)cc1OC ZINC000124661955 1046256082 /nfs/dbraw/zinc/25/60/82/1046256082.db2.gz XEBFLNRYNATKDL-UHFFFAOYSA-N 1 0 329.415 4.424 20 30 EIEDRO C=CCN(CCC#N)Cc1c(O)ccc2cc(Br)ccc21 ZINC000793559666 1046291432 /nfs/dbraw/zinc/29/14/32/1046291432.db2.gz CVVYTMVQUJHDAW-UHFFFAOYSA-N 1 0 345.240 4.210 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000793620620 1046317494 /nfs/dbraw/zinc/31/74/94/1046317494.db2.gz QNXUHCLHOZSVMW-ZDUSSCGKSA-N 1 0 326.362 4.142 20 30 EIEDRO C=C(C)C[N@@H+](C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000497114311 1046345154 /nfs/dbraw/zinc/34/51/54/1046345154.db2.gz LDJWKOHPKOABEV-UHFFFAOYSA-N 1 0 327.472 4.322 20 30 EIEDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000497166423 1046365766 /nfs/dbraw/zinc/36/57/66/1046365766.db2.gz ILCVZSJVUMUOPN-HMFCVHIJSA-N 1 0 349.519 4.132 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(F)c1C#N ZINC000794274705 1046390745 /nfs/dbraw/zinc/39/07/45/1046390745.db2.gz HZAYEGFETMYXIX-UHFFFAOYSA-N 1 0 325.431 4.174 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000273385197 1046399002 /nfs/dbraw/zinc/39/90/02/1046399002.db2.gz CCZLVZXNDOOGPC-XLIONFOSSA-N 1 0 343.515 4.066 20 30 EIEDRO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000771521042 1046432721 /nfs/dbraw/zinc/43/27/21/1046432721.db2.gz OIIVPBZYMIRYLC-DHZHZOJOSA-N 1 0 346.430 4.081 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N/CC1CCN(c2cc[nH+]cc2)CC1 ZINC000771519442 1046435385 /nfs/dbraw/zinc/43/53/85/1046435385.db2.gz FGPJKKPTGZIGRY-LFVJCYFKSA-N 1 0 345.446 4.276 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000916997352 1046549103 /nfs/dbraw/zinc/54/91/03/1046549103.db2.gz WWFRMXHFJAHLKH-UHFFFAOYSA-N 1 0 336.410 4.256 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000772173523 1046587317 /nfs/dbraw/zinc/58/73/17/1046587317.db2.gz APSHBEUNCZSOOQ-IBGZPJMESA-N 1 0 328.843 4.156 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)cc1OC ZINC000127196445 1046628003 /nfs/dbraw/zinc/62/80/03/1046628003.db2.gz WBITZOQAHQEDEW-UHFFFAOYSA-N 1 0 329.362 4.034 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000127194405 1046628420 /nfs/dbraw/zinc/62/84/20/1046628420.db2.gz RGZPXAXGBJDCCX-QGZVFWFLSA-N 1 0 348.450 4.025 20 30 EIEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)C2(C#N)CCCC2)c1 ZINC000127216722 1046630773 /nfs/dbraw/zinc/63/07/73/1046630773.db2.gz OYTWFCXQZVGCSW-UHFFFAOYSA-N 1 0 341.499 4.009 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000917070849 1046648021 /nfs/dbraw/zinc/64/80/21/1046648021.db2.gz HRKPRSFQHRQZOY-UHFFFAOYSA-N 1 0 345.512 4.114 20 30 EIEDRO N#Cc1csc(CN2CCC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000536708599 1046719767 /nfs/dbraw/zinc/71/97/67/1046719767.db2.gz IOOBOCBLOJHZIY-CQSZACIVSA-N 1 0 332.856 4.317 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000785617114 1046726327 /nfs/dbraw/zinc/72/63/27/1046726327.db2.gz KSVJYKVSXOHYTF-FQEVSTJZSA-N 1 0 337.442 4.321 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000785616478 1046729863 /nfs/dbraw/zinc/72/98/63/1046729863.db2.gz CLTUSVTWJXAORX-MRXNPFEDSA-N 1 0 334.391 4.384 20 30 EIEDRO C[C@@H]1CCC[C@@H](C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 ZINC000536740447 1046748640 /nfs/dbraw/zinc/74/86/40/1046748640.db2.gz UDHMVTHOAZLKON-SJLPKXTDSA-N 1 0 339.483 4.035 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)[C@H]1Sc1ccccc1 ZINC000459528757 1046755935 /nfs/dbraw/zinc/75/59/35/1046755935.db2.gz LMRAMJVFAUEZCL-YEBLFPRISA-N 1 0 344.524 4.244 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459588713 1046788755 /nfs/dbraw/zinc/78/87/55/1046788755.db2.gz HSYZOJSVYVPYEX-PBHICJAKSA-N 1 0 333.863 4.070 20 30 EIEDRO CC[C@H](CC#N)[NH2+]C1C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170468126 1046801347 /nfs/dbraw/zinc/80/13/47/1046801347.db2.gz HAXLSVRZEYXLMZ-PVAVHDDUSA-N 1 0 337.508 4.225 20 30 EIEDRO COc1cc(C)cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000536837340 1046812894 /nfs/dbraw/zinc/81/28/94/1046812894.db2.gz GBFXVFUPPZCHCJ-UHFFFAOYSA-N 1 0 334.463 4.497 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000536844110 1046817768 /nfs/dbraw/zinc/81/77/68/1046817768.db2.gz FXOYQIPGYXSBJC-OFQRWUPVSA-N 1 0 329.406 4.047 20 30 EIEDRO C=C(C)COCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000536849989 1046821497 /nfs/dbraw/zinc/82/14/97/1046821497.db2.gz DALNDWIMWUUECP-QGZVFWFLSA-N 1 0 327.472 4.041 20 30 EIEDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1snc(Cl)c1C#N)[NH+](C)C ZINC000804850371 1046825952 /nfs/dbraw/zinc/82/59/52/1046825952.db2.gz WIMCVMZAFNULDL-BXUZGUMPSA-N 1 0 334.876 4.080 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000536866008 1046832425 /nfs/dbraw/zinc/83/24/25/1046832425.db2.gz ZZLXKJYSZSNAAE-LJQANCHMSA-N 1 0 326.440 4.208 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc3cc(F)ccc3c2C)CC1 ZINC000497496672 1046833155 /nfs/dbraw/zinc/83/31/55/1046833155.db2.gz HAIOOBOEBFDTCT-UHFFFAOYSA-N 1 0 346.471 4.119 20 30 EIEDRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC(C)(C)CC#N ZINC000459683870 1046841580 /nfs/dbraw/zinc/84/15/80/1046841580.db2.gz BJQFKTIRNDKSKU-NSHDSACASA-N 1 0 327.241 4.049 20 30 EIEDRO Cc1cc(Br)cc2c1[C@@H]([NH2+]Cc1ccc(C#N)cc1)CC2 ZINC000786790563 1046870327 /nfs/dbraw/zinc/87/03/27/1046870327.db2.gz AAUHYELXMDFJRW-KRWDZBQOSA-N 1 0 341.252 4.406 20 30 EIEDRO CCC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCC1 ZINC000459801735 1046892984 /nfs/dbraw/zinc/89/29/84/1046892984.db2.gz LTGUQAHXSWXIIP-BEFAXECRSA-N 1 0 345.462 4.019 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000537047503 1046914484 /nfs/dbraw/zinc/91/44/84/1046914484.db2.gz QHTNBNXBBIHNAF-KRWDZBQOSA-N 1 0 343.490 4.174 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1ccc(F)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000746659503 1046928041 /nfs/dbraw/zinc/92/80/41/1046928041.db2.gz WAOYEAHEINGNCR-FOIQADDNSA-N 1 0 326.415 4.122 20 30 EIEDRO Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000537104435 1046932448 /nfs/dbraw/zinc/93/24/48/1046932448.db2.gz ZMUGLDJMYKJMER-AWEZNQCLSA-N 1 0 341.842 4.118 20 30 EIEDRO Clc1cnc(N=NC2CC[NH+](C3CCCC3)CC2)c(Cl)c1 ZINC000917537513 1046944512 /nfs/dbraw/zinc/94/45/12/1046944512.db2.gz BCPRWHMOSDUXOX-UHFFFAOYSA-N 1 0 327.259 4.195 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cc1 ZINC000787299043 1046972977 /nfs/dbraw/zinc/97/29/77/1046972977.db2.gz VMSJVEMLKSKDCS-UHFFFAOYSA-N 1 0 337.385 4.444 20 30 EIEDRO CC(C)CCC[C@@H](C)[NH2+]C1CCN(Cc2ccccc2C#N)CC1 ZINC001170071289 1046975188 /nfs/dbraw/zinc/97/51/88/1046975188.db2.gz MUMAHFJADRBQAL-GOSISDBHSA-N 1 0 327.516 4.327 20 30 EIEDRO CC#CCCCCOC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000805920456 1047053882 /nfs/dbraw/zinc/05/38/82/1047053882.db2.gz RUBYVJJHQMYRER-UHFFFAOYSA-N 1 0 327.468 4.026 20 30 EIEDRO C#CCC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000760292634 1047055903 /nfs/dbraw/zinc/05/59/03/1047055903.db2.gz SSTJTSPGDOJSMU-KRWDZBQOSA-N 1 0 332.216 4.291 20 30 EIEDRO COc1ccc(C[N@H+](CC2(C#N)CC2)[C@H]2CCCC[C@H]2C)cc1OC ZINC000537290055 1047070571 /nfs/dbraw/zinc/07/05/71/1047070571.db2.gz IFALWTFMKBWKSF-AEFFLSMTSA-N 1 0 342.483 4.388 20 30 EIEDRO COc1ccc(C[N@H+](CC2(C#N)CC2)[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000537290058 1047070758 /nfs/dbraw/zinc/07/07/58/1047070758.db2.gz IFALWTFMKBWKSF-FUHWJXTLSA-N 1 0 342.483 4.388 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)cc1Cl ZINC000746734350 1047135405 /nfs/dbraw/zinc/13/54/05/1047135405.db2.gz QZDQSDQRWXORQE-UHFFFAOYSA-N 1 0 342.826 4.075 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000537405829 1047197496 /nfs/dbraw/zinc/19/74/96/1047197496.db2.gz XQILMNGFYLVFQL-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000537405392 1047197927 /nfs/dbraw/zinc/19/79/27/1047197927.db2.gz IMWATHSDDSSZNT-XIKOKIGWSA-N 1 0 332.806 4.389 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Cl)c1ccc(C#N)c(F)c1 ZINC000537406820 1047199581 /nfs/dbraw/zinc/19/95/81/1047199581.db2.gz JFGSELKBGPRLEF-QWHCGFSZSA-N 1 0 332.806 4.469 20 30 EIEDRO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1Cl ZINC000537406809 1047199694 /nfs/dbraw/zinc/19/96/94/1047199694.db2.gz JFGSELKBGPRLEF-CHWSQXEVSA-N 1 0 332.806 4.469 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)ccc1OC ZINC000788517539 1047212123 /nfs/dbraw/zinc/21/21/23/1047212123.db2.gz CHIGYIGRVWPFAQ-GOSISDBHSA-N 1 0 349.434 4.147 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)cc1 ZINC000788538439 1047215733 /nfs/dbraw/zinc/21/57/33/1047215733.db2.gz MRDBZILIMVSHHW-LEWJYISDSA-N 1 0 325.452 4.099 20 30 EIEDRO CCCCCCC[C@@H](C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806498924 1047272673 /nfs/dbraw/zinc/27/26/73/1047272673.db2.gz HSMFSNVHVNJORN-KAKFPZCNSA-N 1 0 337.552 4.250 20 30 EIEDRO C=CC(C)(C)CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001130672838 1047309033 /nfs/dbraw/zinc/30/90/33/1047309033.db2.gz KHMARXTYQCXDBQ-UHFFFAOYSA-N 1 0 332.513 4.415 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000747362269 1047384402 /nfs/dbraw/zinc/38/44/02/1047384402.db2.gz VPBDTIRTMVARAX-GNKPEBMXSA-N 1 0 348.899 4.438 20 30 EIEDRO Cc1c(C[N@H+](C)Cc2cc(C#N)cs2)sc2nc(C)nc(C)c12 ZINC000897625953 1047399213 /nfs/dbraw/zinc/39/92/13/1047399213.db2.gz QGNAAZIEVILSHV-UHFFFAOYSA-N 1 0 342.493 4.182 20 30 EIEDRO CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1nc(C#N)cs1 ZINC000897628963 1047404306 /nfs/dbraw/zinc/40/43/06/1047404306.db2.gz DMOYYEYDLNIQST-ZDUSSCGKSA-N 1 0 339.386 4.144 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000556060865 1047428241 /nfs/dbraw/zinc/42/82/41/1047428241.db2.gz NTFRCIAOYJOTAR-BXWFABGCSA-N 1 0 328.456 4.111 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3F)C2)cc1 ZINC000897882976 1047498025 /nfs/dbraw/zinc/49/80/25/1047498025.db2.gz YRNFNEZQVBJCRR-QRTARXTBSA-N 1 0 342.389 4.291 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(C3CCCCC3)s2)cc1F ZINC000556176901 1047536906 /nfs/dbraw/zinc/53/69/06/1047536906.db2.gz RYFDDDVEAWFXDT-UHFFFAOYSA-N 1 0 329.444 4.491 20 30 EIEDRO C=CCCC1(CNC(=O)c2ccc(C[NH+](CC)CC)o2)CCCC1 ZINC001131111452 1047548427 /nfs/dbraw/zinc/54/84/27/1047548427.db2.gz LOUWHXHHBISJIZ-UHFFFAOYSA-N 1 0 332.488 4.378 20 30 EIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2nccnc2C2CCC2)CC1 ZINC000807992327 1047567380 /nfs/dbraw/zinc/56/73/80/1047567380.db2.gz FQHJXNNTDMINLA-YJBOKZPZSA-N 1 0 341.503 4.187 20 30 EIEDRO COc1ccc(C#N)cc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000746919029 1047600757 /nfs/dbraw/zinc/60/07/57/1047600757.db2.gz BEHWDBCKDWOSBS-UHFFFAOYSA-N 1 0 336.435 4.217 20 30 EIEDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237487824 1047665336 /nfs/dbraw/zinc/66/53/36/1047665336.db2.gz SSXMPCWIAVUENP-HNNXBMFYSA-N 1 0 333.435 4.100 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(O[C@H](C)CC)cc2)CC1 ZINC000106323384 1047672525 /nfs/dbraw/zinc/67/25/25/1047672525.db2.gz TXZSUTUYWMPKCK-MRXNPFEDSA-N 1 0 345.487 4.026 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000556483431 1047786623 /nfs/dbraw/zinc/78/66/23/1047786623.db2.gz WGHGKSSTEQMHSH-PXNSSMCTSA-N 1 0 342.446 4.333 20 30 EIEDRO C=CCC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000556485824 1047790752 /nfs/dbraw/zinc/79/07/52/1047790752.db2.gz PEOANRIXQHKJHU-JOCHJYFZSA-N 1 0 340.511 4.103 20 30 EIEDRO C=CCCC1(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000476455460 1047817283 /nfs/dbraw/zinc/81/72/83/1047817283.db2.gz DRGHUJMSBUYZHP-AZUAARDMSA-N 1 0 340.511 4.150 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2nccc(Cl)n2)cc1 ZINC001170548748 1047861968 /nfs/dbraw/zinc/86/19/68/1047861968.db2.gz MYPRDVDMMVCZMU-INIZCTEOSA-N 1 0 328.847 4.065 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000824468138 1047877608 /nfs/dbraw/zinc/87/76/08/1047877608.db2.gz CMUJYFOEJBHLBG-RBZFPXEDSA-N 1 0 342.389 4.423 20 30 EIEDRO C[C@@]1(C[NH2+]Cc2cccc(OCCCC#N)c2)CC1(Cl)Cl ZINC000824765004 1047917495 /nfs/dbraw/zinc/91/74/95/1047917495.db2.gz FVOYBHQRJHXLJU-HNNXBMFYSA-N 1 0 327.255 4.043 20 30 EIEDRO COC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1cccc(Cl)c1 ZINC000808453933 1047921066 /nfs/dbraw/zinc/92/10/66/1047921066.db2.gz BGUVVNRLTCZEDD-AUUYWEPGSA-N 1 0 344.842 4.108 20 30 EIEDRO CN1c2ccc(C[NH2+][C@H](CCCC#N)c3ccccc3)cc2CCC1=O ZINC000814303750 1047970039 /nfs/dbraw/zinc/97/00/39/1047970039.db2.gz BAQZXFBFEQNYPJ-HXUWFJFHSA-N 1 0 347.462 4.120 20 30 EIEDRO CN1c2ccc(C[NH2+][C@@H](CCCC#N)c3ccccc3)cc2CCC1=O ZINC000814303749 1047970558 /nfs/dbraw/zinc/97/05/58/1047970558.db2.gz BAQZXFBFEQNYPJ-FQEVSTJZSA-N 1 0 347.462 4.120 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)cc1 ZINC000824925834 1047998360 /nfs/dbraw/zinc/99/83/60/1047998360.db2.gz FNVYTFJQZQCULR-UHFFFAOYSA-N 1 0 337.391 4.037 20 30 EIEDRO C[C@@]1(CC[NH2+]Cc2cccc(OCCCC#N)c2)CC1(Cl)Cl ZINC000824971083 1048015206 /nfs/dbraw/zinc/01/52/06/1048015206.db2.gz OOOUUIKKCWGILE-MRXNPFEDSA-N 1 0 341.282 4.433 20 30 EIEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c[nH]c4cccc(F)c34)C2)c1 ZINC001136985356 1048030504 /nfs/dbraw/zinc/03/05/04/1048030504.db2.gz CUKMHOVAPNYXHI-GOSISDBHSA-N 1 0 349.409 4.222 20 30 EIEDRO C#CCCC1(CC[NH2+][C@@H]2CCc3cc(Cl)cc(Cl)c3C2)N=N1 ZINC001171073789 1048042202 /nfs/dbraw/zinc/04/22/02/1048042202.db2.gz IDZSRJLJOPCKDL-CQSZACIVSA-N 1 0 336.266 4.406 20 30 EIEDRO C#Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(C)C)c1 ZINC000825226584 1048052688 /nfs/dbraw/zinc/05/26/88/1048052688.db2.gz KRJJFZNPPDHYEU-KRWDZBQOSA-N 1 0 334.463 4.298 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc(C)c1OC(F)F ZINC000825226512 1048054237 /nfs/dbraw/zinc/05/42/37/1048054237.db2.gz HQRWZCHSCRYRBP-UHFFFAOYSA-N 1 0 334.341 4.205 20 30 EIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC000556865259 1048072028 /nfs/dbraw/zinc/07/20/28/1048072028.db2.gz NTLRAYFADJQCMO-FOIQADDNSA-N 1 0 335.451 4.033 20 30 EIEDRO N#Cc1cc2c(cccc2N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)[nH]1 ZINC001170753093 1048076400 /nfs/dbraw/zinc/07/64/00/1048076400.db2.gz ZHUCGWCYDYQCRC-IBGZPJMESA-N 1 0 344.462 4.159 20 30 EIEDRO C=CCC[C@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868742 1048084327 /nfs/dbraw/zinc/08/43/27/1048084327.db2.gz BUKMYIMUGZZKQG-RTWAWAEBSA-N 1 0 338.495 4.441 20 30 EIEDRO N#CCc1c(F)cccc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001170754867 1048092145 /nfs/dbraw/zinc/09/21/45/1048092145.db2.gz WIWGPDJFPQCOPM-SFHVURJKSA-N 1 0 337.442 4.011 20 30 EIEDRO N#CCCOCC[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000815083859 1048324745 /nfs/dbraw/zinc/32/47/45/1048324745.db2.gz GKYWLKVWKBDQTG-HNNXBMFYSA-N 1 0 346.780 4.330 20 30 EIEDRO N#Cc1cncc(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001144079663 1048411790 /nfs/dbraw/zinc/41/17/90/1048411790.db2.gz AJULHGCHFAHGSN-UHFFFAOYSA-N 1 0 345.368 4.352 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000809610728 1048418374 /nfs/dbraw/zinc/41/83/74/1048418374.db2.gz BNCIEAMZDNQRGH-LJQANCHMSA-N 1 0 327.374 4.437 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000809611804 1048419629 /nfs/dbraw/zinc/41/96/29/1048419629.db2.gz PJZATCHXMDFSPY-UHFFFAOYSA-N 1 0 337.426 4.297 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(SCCOC)cc2)cc1 ZINC000809616002 1048422520 /nfs/dbraw/zinc/42/25/20/1048422520.db2.gz PFTBDMNDTQZKRE-INIZCTEOSA-N 1 0 325.477 4.257 20 30 EIEDRO C#Cc1ccc(CNc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)cc1 ZINC000809601382 1048437458 /nfs/dbraw/zinc/43/74/58/1048437458.db2.gz YQCLROACAPTOIZ-UHFFFAOYSA-N 1 0 347.506 4.058 20 30 EIEDRO N#Cc1ccc(C(=[NH2+])N[C@H]2CCc3cc(Cl)c(Cl)cc3C2)cc1 ZINC001171143921 1048446755 /nfs/dbraw/zinc/44/67/55/1048446755.db2.gz LJNOEGBQATYDBF-HNNXBMFYSA-N 1 0 344.245 4.128 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(n3c(C)nc4ccccc43)CC2)cc1 ZINC000809657534 1048456015 /nfs/dbraw/zinc/45/60/15/1048456015.db2.gz IXKWPJYCNJRLQK-UHFFFAOYSA-N 1 0 329.447 4.163 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000844747738 1048484538 /nfs/dbraw/zinc/48/45/38/1048484538.db2.gz MHLWRTUBDNURPF-GOSISDBHSA-N 1 0 337.410 4.141 20 30 EIEDRO N#Cc1cccc(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)c1 ZINC000809754387 1048518840 /nfs/dbraw/zinc/51/88/40/1048518840.db2.gz JOUSGILRDKMIPX-QGZVFWFLSA-N 1 0 335.234 4.078 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)s1 ZINC000809754122 1048518987 /nfs/dbraw/zinc/51/89/87/1048518987.db2.gz CROLICBIGDGRKB-HNNXBMFYSA-N 1 0 341.263 4.140 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000809757386 1048521388 /nfs/dbraw/zinc/52/13/88/1048521388.db2.gz RORZCHLZPOICFH-HNNXBMFYSA-N 1 0 329.271 4.336 20 30 EIEDRO CC[NH+](CC)CCOc1ccc(NCc2ccc(C#N)c(C)c2)cc1 ZINC000767679555 1048526706 /nfs/dbraw/zinc/52/67/06/1048526706.db2.gz CDUIMYHREVEJHW-UHFFFAOYSA-N 1 0 337.467 4.199 20 30 EIEDRO Cc1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c(C#N)c(C)c1Cl ZINC001159391787 1048548440 /nfs/dbraw/zinc/54/84/40/1048548440.db2.gz OMDIKOHLRRVYGV-UHFFFAOYSA-N 1 0 334.895 4.287 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CCC(C)(C)c2ccccc2)cc1 ZINC000920183154 1048565601 /nfs/dbraw/zinc/56/56/01/1048565601.db2.gz GLSREZBQCDLLIO-UHFFFAOYSA-N 1 0 335.495 4.494 20 30 EIEDRO N#CCCC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccccc1 ZINC000815635679 1048565887 /nfs/dbraw/zinc/56/58/87/1048565887.db2.gz HPEINKQPSYFALZ-MLHJIOFPSA-N 1 0 332.538 4.391 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(CC)c1)[C@@H]2CC ZINC001144321266 1048590793 /nfs/dbraw/zinc/59/07/93/1048590793.db2.gz FRFYGHWZIGNLSE-IRLDBZIGSA-N 1 0 340.511 4.171 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc(C#N)c4ccccc43)c2c1 ZINC001171167443 1048613023 /nfs/dbraw/zinc/61/30/23/1048613023.db2.gz ZGVMWHLYXOIZFM-OAHLLOKOSA-N 1 0 340.430 4.249 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC001171175516 1048645097 /nfs/dbraw/zinc/64/50/97/1048645097.db2.gz MJSGFCFNCVHFJA-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC001171178599 1048660311 /nfs/dbraw/zinc/66/03/11/1048660311.db2.gz HVZXIISMPPSEJA-CYBMUJFWSA-N 1 0 334.341 4.178 20 30 EIEDRO COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@@H](C)Cc1cccc(C#N)c1 ZINC001171181474 1048662209 /nfs/dbraw/zinc/66/22/09/1048662209.db2.gz LRBBOKMJUAYRAT-HOTGVXAUSA-N 1 0 347.462 4.215 20 30 EIEDRO COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@@H](C)Cc1cccc(C#N)c1 ZINC001171181473 1048662738 /nfs/dbraw/zinc/66/27/38/1048662738.db2.gz LRBBOKMJUAYRAT-CVEARBPZSA-N 1 0 347.462 4.215 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCSCc1ccc(F)cc1 ZINC001171182051 1048663524 /nfs/dbraw/zinc/66/35/24/1048663524.db2.gz SBEMVGBGCMMDOH-OAHLLOKOSA-N 1 0 328.456 4.151 20 30 EIEDRO COc1ncc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c2ccccc21 ZINC001171185001 1048671865 /nfs/dbraw/zinc/67/18/65/1048671865.db2.gz RGAHOGZXYDSKGI-UHFFFAOYSA-N 1 0 343.386 4.139 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC001171182292 1048672142 /nfs/dbraw/zinc/67/21/42/1048672142.db2.gz UKDWFLZXQRHOAN-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Br)s1 ZINC001171183031 1048674235 /nfs/dbraw/zinc/67/42/35/1048674235.db2.gz ALGOIYACOFCKPO-NSHDSACASA-N 1 0 335.270 4.103 20 30 EIEDRO CC(C)(C)c1ccc([C@H](O)C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810217973 1048685802 /nfs/dbraw/zinc/68/58/02/1048685802.db2.gz DJXZLMYPVAMJQI-LEWJYISDSA-N 1 0 334.463 4.166 20 30 EIEDRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCc4ccc(C#N)cc43)C2)cc1 ZINC000810219340 1048688887 /nfs/dbraw/zinc/68/88/87/1048688887.db2.gz IDGZCNCZOIHOPX-SIKLNZKXSA-N 1 0 331.463 4.113 20 30 EIEDRO C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000810220972 1048690068 /nfs/dbraw/zinc/69/00/68/1048690068.db2.gz IJLXQQCQWGSDIJ-HOTGVXAUSA-N 1 0 345.487 4.292 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](CCO)c1cccc2ccccc21 ZINC001171190323 1048692704 /nfs/dbraw/zinc/69/27/04/1048692704.db2.gz RZHRDRRUUMPXAI-UZUQRXQVSA-N 1 0 344.458 4.356 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(OCC2CCC2)c1 ZINC001171191849 1048693172 /nfs/dbraw/zinc/69/31/72/1048693172.db2.gz GRQFDFAAKRBMKK-QGZVFWFLSA-N 1 0 334.463 4.458 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccnc(Cl)c1)C1CC1 ZINC001171190577 1048693405 /nfs/dbraw/zinc/69/34/05/1048693405.db2.gz WCSXNORCHZVRBJ-DJJJIMSYSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@@H](O)c1c(F)cccc1Cl ZINC000810227101 1048694154 /nfs/dbraw/zinc/69/41/54/1048694154.db2.gz RDKPCALIBTVERJ-WOVYWWTOSA-N 1 0 344.817 4.050 20 30 EIEDRO COc1ccccc1CC1(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171197763 1048720410 /nfs/dbraw/zinc/72/04/10/1048720410.db2.gz CFZDCRCIQAUIRC-KRWDZBQOSA-N 1 0 334.463 4.110 20 30 EIEDRO COc1ccc(CC2(C[NH2+][C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171198305 1048722627 /nfs/dbraw/zinc/72/26/27/1048722627.db2.gz JSSZPAAMDYQRRY-KRWDZBQOSA-N 1 0 334.463 4.110 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccc(Cl)cn1)C1CC1 ZINC001171201456 1048758087 /nfs/dbraw/zinc/75/80/87/1048758087.db2.gz MATUHAMITRPMHJ-BFUOFWGJSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC001171202206 1048758503 /nfs/dbraw/zinc/75/85/03/1048758503.db2.gz XXSSWNQNQXGIHC-SGTLLEGYSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001171202857 1048764695 /nfs/dbraw/zinc/76/46/95/1048764695.db2.gz HFEXIUULDKSTKI-INIZCTEOSA-N 1 0 344.462 4.179 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(O[C@H](C#N)CC)c2)C1 ZINC000845939643 1048766750 /nfs/dbraw/zinc/76/67/50/1048766750.db2.gz KSBFJHGZCZIGIZ-NXHRZFHOSA-N 1 0 328.456 4.211 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)C1 ZINC000845939421 1048768122 /nfs/dbraw/zinc/76/81/22/1048768122.db2.gz OVYGZZUXLGGHBP-YLJYHZDGSA-N 1 0 349.478 4.193 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001171202326 1048770336 /nfs/dbraw/zinc/77/03/36/1048770336.db2.gz BKZNIQMMUMRMBP-JPYJTQIMSA-N 1 0 341.458 4.396 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@](C)(O)c1ccccc1 ZINC000846036179 1048802722 /nfs/dbraw/zinc/80/27/22/1048802722.db2.gz JCCVWLAJNDEMCE-KPFYNRIZSA-N 1 0 348.490 4.276 20 30 EIEDRO C[C@@H]1[C@@H](OC(=O)CCCCCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000816470371 1048807729 /nfs/dbraw/zinc/80/77/29/1048807729.db2.gz MQWYUASZNKRYNM-MJGOQNOKSA-N 1 0 328.456 4.057 20 30 EIEDRO CCOc1ccc(O)c(/C=N/C[C@H](c2ccccc2)[NH+](CC)CC)c1 ZINC000920944028 1048817640 /nfs/dbraw/zinc/81/76/40/1048817640.db2.gz NSMIHDACLZHYJP-INKLHFNDSA-N 1 0 340.467 4.293 20 30 EIEDRO Oc1ccccc1/C=N\C[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000920945145 1048819181 /nfs/dbraw/zinc/81/91/81/1048819181.db2.gz QTOWBPPHKJGPDK-LZAZYHHXSA-N 1 0 328.843 4.302 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001171217740 1048836166 /nfs/dbraw/zinc/83/61/66/1048836166.db2.gz QCPBHMKUGSPYLN-QGZVFWFLSA-N 1 0 338.495 4.160 20 30 EIEDRO Cc1ccc2c(c1)c1c(n2[C@H](C)Cc2cccc(C#N)c2)CC[NH2+]C1 ZINC001171220497 1048851963 /nfs/dbraw/zinc/85/19/63/1048851963.db2.gz ASDBBQAKGXIRIO-MRXNPFEDSA-N 1 0 329.447 4.271 20 30 EIEDRO COc1ccc(C2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171220537 1048852518 /nfs/dbraw/zinc/85/25/18/1048852518.db2.gz BLSVVMQCZVQTCX-QGZVFWFLSA-N 1 0 334.463 4.377 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001171220978 1048856805 /nfs/dbraw/zinc/85/68/05/1048856805.db2.gz GOSJBJHMWBNGQH-MRXNPFEDSA-N 1 0 338.426 4.172 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001171224242 1048858321 /nfs/dbraw/zinc/85/83/21/1048858321.db2.gz QCMTUJFTZGZZFV-YWZLYKJASA-N 1 0 340.467 4.418 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1nc(C2CC[NH2+]CC2)c2ccccc21 ZINC001171229724 1048868862 /nfs/dbraw/zinc/86/88/62/1048868862.db2.gz QLECECNNVNLEHJ-INIZCTEOSA-N 1 0 344.462 4.179 20 30 EIEDRO COC(=O)c1cccc([C@H]2CCC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171233008 1048872521 /nfs/dbraw/zinc/87/25/21/1048872521.db2.gz YPSYNCIYJXPIHA-IIBYNOLFSA-N 1 0 348.446 4.113 20 30 EIEDRO COc1cccc(C2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171232806 1048872578 /nfs/dbraw/zinc/87/25/78/1048872578.db2.gz WSCMDRTZJPANEY-KRWDZBQOSA-N 1 0 334.463 4.377 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2C)cc(OC)c1OC ZINC000772951333 1048889545 /nfs/dbraw/zinc/88/95/45/1048889545.db2.gz CRJYOWVCRWCYAL-BTYIYWSLSA-N 1 0 337.463 4.455 20 30 EIEDRO C=C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1)c1ccccc1 ZINC001171255593 1048936110 /nfs/dbraw/zinc/93/61/10/1048936110.db2.gz BCTRTAAKZSKSKN-LQCXBHPOSA-N 1 0 346.474 4.339 20 30 EIEDRO CC(=O)C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000846947411 1048958650 /nfs/dbraw/zinc/95/86/50/1048958650.db2.gz RDCPVVCKZATAGB-UHFFFAOYSA-N 1 0 346.474 4.187 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000847022760 1048981592 /nfs/dbraw/zinc/98/15/92/1048981592.db2.gz XIVXTVNLMZOVTL-MRXNPFEDSA-N 1 0 346.430 4.349 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C[C@H](O)c3ccc(Cl)c(F)c3)CCC2)cc1 ZINC000847058850 1048988764 /nfs/dbraw/zinc/98/87/64/1048988764.db2.gz NJVARABWZMARQS-SFHVURJKSA-N 1 0 344.817 4.053 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C[C@H](O)c3cccc4ccccc43)CCC2)cc1 ZINC000847056697 1048990115 /nfs/dbraw/zinc/99/01/15/1048990115.db2.gz GRGQLSBLXKXLFL-QFIPXVFZSA-N 1 0 342.442 4.414 20 30 EIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921493246 1049003663 /nfs/dbraw/zinc/00/36/63/1049003663.db2.gz KLHOYSGLDNCGPP-UHFFFAOYSA-N 1 0 344.462 4.267 20 30 EIEDRO C=C1CC(C)(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC001146226219 1049010726 /nfs/dbraw/zinc/01/07/26/1049010726.db2.gz KJMCWUPHNQWBAG-UHFFFAOYSA-N 1 0 326.484 4.035 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccncc2Cl)c1 ZINC000817581032 1049010890 /nfs/dbraw/zinc/01/08/90/1049010890.db2.gz MQOYFAQACVISID-UKRRQHHQSA-N 1 0 329.831 4.267 20 30 EIEDRO CCCCC/C(=C\c1ccccc1)C[NH2+]C1CCN(CC#N)CC1 ZINC000609334811 1049011300 /nfs/dbraw/zinc/01/13/00/1049011300.db2.gz IOYCVFJQCAGMTK-LVZFUZTISA-N 1 0 325.500 4.228 20 30 EIEDRO C=CCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171276004 1049013311 /nfs/dbraw/zinc/01/33/11/1049013311.db2.gz USBNCOJIEXSTJB-YOFSQIOKSA-N 1 0 326.484 4.110 20 30 EIEDRO Cc1cc(CC#N)ccc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171276592 1049018583 /nfs/dbraw/zinc/01/85/83/1049018583.db2.gz CKAIKHHIPWWRLL-UHFFFAOYSA-N 1 0 344.462 4.031 20 30 EIEDRO N#CC1(Nc2cccc3c2CC=C3)CC[NH+](Cc2ccccc2)CC1 ZINC001171277799 1049034265 /nfs/dbraw/zinc/03/42/65/1049034265.db2.gz QPSMMUXBQYIERQ-UHFFFAOYSA-N 1 0 329.447 4.226 20 30 EIEDRO CC[N@H+](CCOCc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000609384979 1049043637 /nfs/dbraw/zinc/04/36/37/1049043637.db2.gz AQBOGOJTCPXDQM-QGZVFWFLSA-N 1 0 338.451 4.167 20 30 EIEDRO CC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CC1(C)C ZINC001171287993 1049061506 /nfs/dbraw/zinc/06/15/06/1049061506.db2.gz YVWNAQLRCUGWOM-JKSUJKDBSA-N 1 0 325.374 4.351 20 30 EIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000763453514 1049082110 /nfs/dbraw/zinc/08/21/10/1049082110.db2.gz NYVGADMSUWAZKL-MSOLQXFVSA-N 1 0 348.874 4.022 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC001147172376 1049095460 /nfs/dbraw/zinc/09/54/60/1049095460.db2.gz QBIOXVITZCNSSB-ICSRJNTNSA-N 1 0 328.500 4.393 20 30 EIEDRO Cc1cnn(CCCCC[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000609536669 1049140570 /nfs/dbraw/zinc/14/05/70/1049140570.db2.gz UTFRWXUPPFKBHI-UHFFFAOYSA-N 1 0 338.499 4.392 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000609544822 1049148671 /nfs/dbraw/zinc/14/86/71/1049148671.db2.gz FNGBMOTUVZCXNS-UHFFFAOYSA-N 1 0 342.389 4.316 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000609599106 1049184989 /nfs/dbraw/zinc/18/49/89/1049184989.db2.gz NMXGQFBUFSLBHN-UHFFFAOYSA-N 1 0 346.833 4.494 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000772986707 1049265246 /nfs/dbraw/zinc/26/52/46/1049265246.db2.gz CWKZRLMJROKKTM-QGZVFWFLSA-N 1 0 345.446 4.044 20 30 EIEDRO COc1ccc(Cl)c2c1C[C@@H]([N@H+](CCC#N)C1CCCC1)CC2 ZINC001171322032 1049272064 /nfs/dbraw/zinc/27/20/64/1049272064.db2.gz RBPNUZXFNFEGCW-HNNXBMFYSA-N 1 0 332.875 4.364 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819271130 1049296753 /nfs/dbraw/zinc/29/67/53/1049296753.db2.gz OFIZACLXCSMTST-MSOLQXFVSA-N 1 0 347.245 4.176 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1ccccc1 ZINC000819329230 1049298754 /nfs/dbraw/zinc/29/87/54/1049298754.db2.gz HVPJHDXORSJCAO-MOPGFXCFSA-N 1 0 330.378 4.023 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000819368199 1049310674 /nfs/dbraw/zinc/31/06/74/1049310674.db2.gz OCGRFZFGOGTZGF-YSIASYRMSA-N 1 0 340.854 4.171 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)c1cccc([C@@H](C)C#N)c1 ZINC001148621565 1049345777 /nfs/dbraw/zinc/34/57/77/1049345777.db2.gz CUGFXHQEQSGHQM-KXBFYZLASA-N 1 0 333.435 4.063 20 30 EIEDRO C=CC1(CC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCCCC1 ZINC001136254993 1049358758 /nfs/dbraw/zinc/35/87/58/1049358758.db2.gz HOGOSEKNRSRNKW-KDURUIRLSA-N 1 0 334.548 4.387 20 30 EIEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNc1c(C)cccc1C(C)C ZINC000812231798 1049382870 /nfs/dbraw/zinc/38/28/70/1049382870.db2.gz FROLPSVOZITPQW-UHFFFAOYSA-N 1 0 333.439 4.454 20 30 EIEDRO N#Cc1ccc(N2CCC[N@@H+](C3CCCC3)CC2)cc1C(F)(F)F ZINC000609964865 1049422315 /nfs/dbraw/zinc/42/23/15/1049422315.db2.gz DNUKIMOGOBXAOU-UHFFFAOYSA-N 1 0 337.389 4.032 20 30 EIEDRO C#CCSCC[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000773010118 1049525094 /nfs/dbraw/zinc/52/50/94/1049525094.db2.gz HKFNUZXOOYUHGK-MRXNPFEDSA-N 1 0 325.477 4.379 20 30 EIEDRO C=CCC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CCC1 ZINC001136363425 1049535363 /nfs/dbraw/zinc/53/53/63/1049535363.db2.gz XNTXMBNKHYKVTC-FQEVSTJZSA-N 1 0 340.511 4.322 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(N2CCCCC2)cc1 ZINC000773029367 1049539579 /nfs/dbraw/zinc/53/95/79/1049539579.db2.gz YVUOMJTUKSDUGM-SFHVURJKSA-N 1 0 349.478 4.278 20 30 EIEDRO COCC[N@H+](CCCc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000610132610 1049556423 /nfs/dbraw/zinc/55/64/23/1049556423.db2.gz KQQFOKBBQCOBIP-UHFFFAOYSA-N 1 0 342.870 4.293 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCOc3c(C)cc(C)cc32)cc1C#N ZINC000773079296 1049570038 /nfs/dbraw/zinc/57/00/38/1049570038.db2.gz YLJALPZWLMCJGT-IBGZPJMESA-N 1 0 336.435 4.187 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2cnc(C)s2)cc1 ZINC000773081154 1049571195 /nfs/dbraw/zinc/57/11/95/1049571195.db2.gz LFFCYCKCTOXCNV-CYBMUJFWSA-N 1 0 336.888 4.476 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](CCOC)Cc1cccc(F)c1)c1ccccc1 ZINC000773115765 1049586798 /nfs/dbraw/zinc/58/67/98/1049586798.db2.gz OVPLKYFBIOCGME-SFTDATJTSA-N 1 0 325.427 4.128 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000773116020 1049589155 /nfs/dbraw/zinc/58/91/55/1049589155.db2.gz PCZQHNTVYKCVSY-MAUKXSAKSA-N 1 0 338.407 4.409 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000773118104 1049591135 /nfs/dbraw/zinc/59/11/35/1049591135.db2.gz YNIGBLQJMJMVBI-GHTZIAJQSA-N 1 0 334.463 4.375 20 30 EIEDRO C=CCCC[C@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001136451501 1049647237 /nfs/dbraw/zinc/64/72/37/1049647237.db2.gz YNTSNPKKOPTXKI-FPOVZHCZSA-N 1 0 342.527 4.363 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000237604585 1049660136 /nfs/dbraw/zinc/66/01/36/1049660136.db2.gz YQCRHZYLRYMUAY-NQSCKRDGSA-N 1 0 334.463 4.478 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(C)(COC)CC1 ZINC000773269758 1049679008 /nfs/dbraw/zinc/67/90/08/1049679008.db2.gz FOFZOGGETBIACC-UHFFFAOYSA-N 1 0 345.512 4.020 20 30 EIEDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001171458128 1049712488 /nfs/dbraw/zinc/71/24/88/1049712488.db2.gz NMOMGRZJBIAGAT-AZUAARDMSA-N 1 0 326.484 4.475 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1Cl ZINC000813331743 1049753202 /nfs/dbraw/zinc/75/32/02/1049753202.db2.gz TWWWKWWELZCDFD-CYBMUJFWSA-N 1 0 347.842 4.470 20 30 EIEDRO Cc1cccc2c1CC[C@@H](NC(=[NH2+])c1ccc3cc(O)ccc3c1)C2 ZINC001171559903 1049755024 /nfs/dbraw/zinc/75/50/24/1049755024.db2.gz OYMWMLITRFHZNV-LJQANCHMSA-N 1 0 330.431 4.117 20 30 EIEDRO Cc1cccc2c1CC[C@H]([NH+]1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001171565895 1049758984 /nfs/dbraw/zinc/75/89/84/1049758984.db2.gz SNCKJIYHMYJWLU-NRFANRHFSA-N 1 0 330.475 4.410 20 30 EIEDRO C#CC1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)CC1 ZINC001171611305 1049765113 /nfs/dbraw/zinc/76/51/13/1049765113.db2.gz AALVIRQIMSXTFC-QZTJIDSGSA-N 1 0 348.531 4.146 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H](C#N)C2)C[C@H]1C(C)(C)C ZINC001171613683 1049765655 /nfs/dbraw/zinc/76/56/55/1049765655.db2.gz OPDGJSZPDILMDL-ULQDDVLXSA-N 1 0 349.519 4.036 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000822525526 1049766900 /nfs/dbraw/zinc/76/69/00/1049766900.db2.gz HUXPBZKKVVESET-QGZVFWFLSA-N 1 0 332.451 4.101 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC001171733880 1049798139 /nfs/dbraw/zinc/79/81/39/1049798139.db2.gz JMHVEYYGZYFYPX-BULFRSBZSA-N 1 0 333.479 4.262 20 30 EIEDRO CC[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171824691 1049802735 /nfs/dbraw/zinc/80/27/35/1049802735.db2.gz AACFTRANGHSPJW-NHAYFPRASA-N 1 0 349.519 4.179 20 30 EIEDRO C=C(C)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000130813368 1049814682 /nfs/dbraw/zinc/81/46/82/1049814682.db2.gz HPZIGYVODPPKIK-QGZVFWFLSA-N 1 0 331.257 4.294 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCCCC(F)(F)C2)cc1 ZINC000813782302 1049815746 /nfs/dbraw/zinc/81/57/46/1049815746.db2.gz OBNBLIJMJWEQTI-KRWDZBQOSA-N 1 0 335.442 4.342 20 30 EIEDRO C=C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC001171886384 1049816094 /nfs/dbraw/zinc/81/60/94/1049816094.db2.gz MADIBBVSTYGBDC-NHCUHLMSSA-N 1 0 334.463 4.198 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCc3sc(Cl)cc32)cc1C#N ZINC000813790002 1049817313 /nfs/dbraw/zinc/81/73/13/1049817313.db2.gz FJVGMEZCJDKOKE-AWEZNQCLSA-N 1 0 332.856 4.449 20 30 EIEDRO C=CC[N@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)[C@H](C)COC ZINC001171916775 1049819612 /nfs/dbraw/zinc/81/96/12/1049819612.db2.gz POCIFTLOMJVERY-MRXNPFEDSA-N 1 0 343.467 4.248 20 30 EIEDRO CCCCN(CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984605 1049841106 /nfs/dbraw/zinc/84/11/06/1049841106.db2.gz NSNFJZYRNRDDBX-FQEVSTJZSA-N 1 0 327.516 4.445 20 30 EIEDRO N#CC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC001172064648 1049851070 /nfs/dbraw/zinc/85/10/70/1049851070.db2.gz IMKUTTXHWIXQPT-MZADTFQBSA-N 1 0 337.511 4.388 20 30 EIEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(CCC#N)Cc1ccc(Cl)cc1)C2 ZINC001172128207 1049853788 /nfs/dbraw/zinc/85/37/88/1049853788.db2.gz PXQFHPJRYURZGS-BWTSREIZSA-N 1 0 331.891 4.071 20 30 EIEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC3CCC(C)(C#N)CC3)cc2)C1 ZINC000823529592 1049855100 /nfs/dbraw/zinc/85/51/00/1049855100.db2.gz VTDVSQLCLQXUSS-OCDPCBSRSA-N 1 0 341.499 4.292 20 30 EIEDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000180165166 1049855743 /nfs/dbraw/zinc/85/57/43/1049855743.db2.gz YKFGPIMQLJGQCT-HZPDHXFCSA-N 1 0 348.450 4.370 20 30 EIEDRO C=CCCC[NH2+]C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172215522 1049866900 /nfs/dbraw/zinc/86/69/00/1049866900.db2.gz QOOPOYRNAJZRKZ-UHFFFAOYSA-N 1 0 335.875 4.249 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC001172306429 1049873765 /nfs/dbraw/zinc/87/37/65/1049873765.db2.gz XXZPWOXIQIZTGS-SGTLLEGYSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1(C)CCN(Cc2ccccc2)CC1 ZINC001172305908 1049873938 /nfs/dbraw/zinc/87/39/38/1049873938.db2.gz VNNAPKQLODWMMS-LJQANCHMSA-N 1 0 347.506 4.134 20 30 EIEDRO CC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001172308507 1049874631 /nfs/dbraw/zinc/87/46/31/1049874631.db2.gz KWLONSJADIWGJR-QZTJIDSGSA-N 1 0 336.479 4.451 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC001172311877 1049875433 /nfs/dbraw/zinc/87/54/33/1049875433.db2.gz ZYTCLMMRTWCMBF-GOSISDBHSA-N 1 0 346.474 4.349 20 30 EIEDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172313499 1049875670 /nfs/dbraw/zinc/87/56/70/1049875670.db2.gz XZWVFNJMGWBPFQ-KKSFZXQISA-N 1 0 348.446 4.113 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Sc2ccncc2)CC1 ZINC001172318959 1049876478 /nfs/dbraw/zinc/87/64/78/1049876478.db2.gz JWDBEKFRBUUCBU-INIZCTEOSA-N 1 0 337.492 4.141 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001172318738 1049876532 /nfs/dbraw/zinc/87/65/32/1049876532.db2.gz HYMGMXXSUWZUMK-OXQOHEQNSA-N 1 0 337.492 4.141 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001172320606 1049877227 /nfs/dbraw/zinc/87/72/27/1049877227.db2.gz WRVPEYMVIBQPGT-YWZLYKJASA-N 1 0 340.467 4.418 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2ccc(Br)cc2F)CC1 ZINC000823842162 1049880506 /nfs/dbraw/zinc/88/05/06/1049880506.db2.gz JYHUSHAHHXLAQE-UHFFFAOYSA-N 1 0 339.252 4.193 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccccc1C(F)(F)F ZINC001172296536 1049882092 /nfs/dbraw/zinc/88/20/92/1049882092.db2.gz HYIKTPNYEMAMSK-AWEZNQCLSA-N 1 0 332.369 4.340 20 30 EIEDRO COc1ccc(CC2([NH2+][C@H](C)Cc3ccc(C#N)cc3)CCC2)cc1 ZINC001172298941 1049882812 /nfs/dbraw/zinc/88/28/12/1049882812.db2.gz GWIYVGKEWGVZRN-QGZVFWFLSA-N 1 0 334.463 4.253 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172298262 1049882944 /nfs/dbraw/zinc/88/29/44/1049882944.db2.gz VBJALYZIWZRRCF-CQSZACIVSA-N 1 0 343.268 4.350 20 30 EIEDRO COc1cccc(CC2(C[NH2+][C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172299953 1049883012 /nfs/dbraw/zinc/88/30/12/1049883012.db2.gz PWASARGHGFVQOE-QGZVFWFLSA-N 1 0 334.463 4.110 20 30 EIEDRO CC[C@@H](C)OCC[C@H](C)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001172338159 1049887528 /nfs/dbraw/zinc/88/75/28/1049887528.db2.gz AKBHNTNRLQDWOT-ZWKOTPCHSA-N 1 0 328.500 4.406 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H](C(=O)OCC)C1CCOCC1 ZINC001172349826 1049891115 /nfs/dbraw/zinc/89/11/15/1049891115.db2.gz GTFJLHBPWYUYOA-QZTJIDSGSA-N 1 0 327.509 4.073 20 30 EIEDRO CC[C@H](C)OCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001172352568 1049892047 /nfs/dbraw/zinc/89/20/47/1049892047.db2.gz SEACTEZHVNPWEC-STQMWFEESA-N 1 0 328.378 4.260 20 30 EIEDRO CC[C@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001172352566 1049892214 /nfs/dbraw/zinc/89/22/14/1049892214.db2.gz SEACTEZHVNPWEC-OLZOCXBDSA-N 1 0 328.378 4.260 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2C[C@@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001172354283 1049893403 /nfs/dbraw/zinc/89/34/03/1049893403.db2.gz FZYPHKWRCHTLNK-ZSYWTGECSA-N 1 0 349.519 4.149 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001172355104 1049893894 /nfs/dbraw/zinc/89/38/94/1049893894.db2.gz NEEGEPUMAUXWIP-RTBURBONSA-N 1 0 335.536 4.491 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccc(S(=O)(=O)CC)nc1 ZINC001172361545 1049895460 /nfs/dbraw/zinc/89/54/60/1049895460.db2.gz NXFHOSZUNNWLEB-KRWDZBQOSA-N 1 0 340.533 4.104 20 30 EIEDRO CC(C)COCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001172470748 1049908958 /nfs/dbraw/zinc/90/89/58/1049908958.db2.gz GSDJKTPTMDZXNZ-CYBMUJFWSA-N 1 0 328.378 4.118 20 30 EIEDRO C/C=C1\[C@H]2C=C(C)C[C@]1([NH2+][C@H](C)CCCC#N)c1ccc(=O)[nH]c1C2 ZINC001172485857 1049911691 /nfs/dbraw/zinc/91/16/91/1049911691.db2.gz UPZLCKCSXWNZCU-NEIBFCADSA-N 1 0 337.467 4.123 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001172485950 1049911697 /nfs/dbraw/zinc/91/16/97/1049911697.db2.gz WLYLEHZUDOGLMZ-WBVHZDCISA-N 1 0 343.471 4.025 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2Cl)CC1 ZINC001172484667 1049911718 /nfs/dbraw/zinc/91/17/18/1049911718.db2.gz BKSDDWDLJXKEAE-JYJNAYRXSA-N 1 0 347.890 4.053 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CC1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001172488015 1049920884 /nfs/dbraw/zinc/92/08/84/1049920884.db2.gz PNVTYQABQJENIT-INIZCTEOSA-N 1 0 335.442 4.492 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC001172487795 1049920917 /nfs/dbraw/zinc/92/09/17/1049920917.db2.gz JLYNJXRGMYHPIW-AWEZNQCLSA-N 1 0 337.870 4.115 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC001172487796 1049921076 /nfs/dbraw/zinc/92/10/76/1049921076.db2.gz JLYNJXRGMYHPIW-CQSZACIVSA-N 1 0 337.870 4.115 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+][C@H]1CCc2c(ccc(=O)n2C)C1 ZINC001172500677 1049922814 /nfs/dbraw/zinc/92/28/14/1049922814.db2.gz CEFCQLKXQYPEKP-OALUTQOASA-N 1 0 332.532 4.361 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC001172502393 1049923214 /nfs/dbraw/zinc/92/32/14/1049923214.db2.gz JGJKCXDGKLWTFJ-GOSISDBHSA-N 1 0 331.566 4.320 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001172502733 1049923486 /nfs/dbraw/zinc/92/34/86/1049923486.db2.gz LQNRBFZYHHBLAT-RBUKOAKNSA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCCC[C@@H](CC)[N@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172505533 1049923834 /nfs/dbraw/zinc/92/38/34/1049923834.db2.gz ONNDIMXWNVSUBM-ZWKOTPCHSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+]C1(CC(=O)OC)CCOCC1 ZINC001172504380 1049923948 /nfs/dbraw/zinc/92/39/48/1049923948.db2.gz XXPUWYQAVISEBI-KRWDZBQOSA-N 1 0 327.509 4.218 20 30 EIEDRO CCCCCCCC[C@@H](CC)[N@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001172505523 1049924111 /nfs/dbraw/zinc/92/41/11/1049924111.db2.gz ONNDIMXWNVSUBM-QZTJIDSGSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+]C1CCN(COC(C)=O)CC1 ZINC001172508049 1049926148 /nfs/dbraw/zinc/92/61/48/1049926148.db2.gz FMXLJAHNDPVIRD-GOSISDBHSA-N 1 0 326.525 4.090 20 30 EIEDRO C#CCCC1(CC[NH2+][C@@H](C)CCc2c(F)cc(Cl)cc2F)N=N1 ZINC001172570043 1049939830 /nfs/dbraw/zinc/93/98/30/1049939830.db2.gz GZUYMVIXKXHNAI-LBPRGKRZSA-N 1 0 339.817 4.495 20 30 EIEDRO C=CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccc(F)cc2C)C1 ZINC001172582371 1049951708 /nfs/dbraw/zinc/95/17/08/1049951708.db2.gz ZNJOMSRXGUSBBF-AEFFLSMTSA-N 1 0 348.462 4.350 20 30 EIEDRO C#CCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172638184 1049954035 /nfs/dbraw/zinc/95/40/35/1049954035.db2.gz UYFWKOXYSDVTOR-ROUUACIJSA-N 1 0 336.520 4.338 20 30 EIEDRO CCCC[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001172621990 1049959787 /nfs/dbraw/zinc/95/97/87/1049959787.db2.gz KKUOZDMTAFXPLF-IAGOWNOFSA-N 1 0 349.519 4.228 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172718073 1049963990 /nfs/dbraw/zinc/96/39/90/1049963990.db2.gz FVOFGRRQLJMHEQ-FQEVSTJZSA-N 1 0 336.866 4.365 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000180930000 1049966312 /nfs/dbraw/zinc/96/63/12/1049966312.db2.gz NXLMMDJRHSMCJC-KRWDZBQOSA-N 1 0 343.430 4.350 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(-c2ccncc2)cc1 ZINC000180930021 1049966921 /nfs/dbraw/zinc/96/69/21/1049966921.db2.gz NXLMMDJRHSMCJC-QGZVFWFLSA-N 1 0 343.430 4.350 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000083455659 1049981748 /nfs/dbraw/zinc/98/17/48/1049981748.db2.gz FQHIWHJKWKAERP-UHFFFAOYSA-N 1 0 333.526 4.002 20 30 EIEDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CCCC1 ZINC000181397337 1050115893 /nfs/dbraw/zinc/11/58/93/1050115893.db2.gz QUMMAMPMJSFIRK-LAUBAEHRSA-N 1 0 349.478 4.055 20 30 EIEDRO CC#CCCCC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617865924 1050116318 /nfs/dbraw/zinc/11/63/18/1050116318.db2.gz WDVAZMATCKJACI-UHFFFAOYSA-N 1 0 341.480 4.023 20 30 EIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181414880 1050120706 /nfs/dbraw/zinc/12/07/06/1050120706.db2.gz HRHSIFSXAWVRCM-HNNXBMFYSA-N 1 0 330.435 4.212 20 30 EIEDRO C=CCC[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000089555916 1050121763 /nfs/dbraw/zinc/12/17/63/1050121763.db2.gz AGKICLLAHHJKDD-INIZCTEOSA-N 1 0 331.847 4.267 20 30 EIEDRO CCCCCCCOc1ccc(-c2noc([C@@]34C[C@@H]3CC[NH2+]4)n2)cc1 ZINC001212343057 1050149050 /nfs/dbraw/zinc/14/90/50/1050149050.db2.gz HVRDMQYIMYYQAG-OXJNMPFZSA-N 1 0 341.455 4.294 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172795952 1050159552 /nfs/dbraw/zinc/15/95/52/1050159552.db2.gz DFFBUWANIRCXKM-BBWFWOEESA-N 1 0 331.456 4.024 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181536010 1050178999 /nfs/dbraw/zinc/17/89/99/1050178999.db2.gz CQLQJHQYRJIOQI-SFHVURJKSA-N 1 0 333.479 4.182 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cccc(OC(C)C)c2)cc(OC)c1O ZINC001177323137 1050192019 /nfs/dbraw/zinc/19/20/19/1050192019.db2.gz CNLWRCXVQLPTMT-UHFFFAOYSA-N 1 0 341.451 4.206 20 30 EIEDRO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC001172876860 1050217545 /nfs/dbraw/zinc/21/75/45/1050217545.db2.gz DCWCVGJMFHDQHU-AWEZNQCLSA-N 1 0 346.883 4.361 20 30 EIEDRO N#Cc1cc(C[NH2+]CCOc2ccccc2-c2ccccc2)cs1 ZINC001177529221 1050243578 /nfs/dbraw/zinc/24/35/78/1050243578.db2.gz OEVBFVVJPIDCEU-UHFFFAOYSA-N 1 0 334.444 4.455 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccccc1 ZINC001172966671 1050248937 /nfs/dbraw/zinc/24/89/37/1050248937.db2.gz PHWFGYYTXSGXIE-OKZBNKHCSA-N 1 0 343.471 4.019 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC(C)(C)C1 ZINC001172973716 1050250747 /nfs/dbraw/zinc/25/07/47/1050250747.db2.gz GZAZKWBSPFRENW-QZWWFDLISA-N 1 0 349.519 4.082 20 30 EIEDRO CCCC[C@@H](CC)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976085 1050251116 /nfs/dbraw/zinc/25/11/16/1050251116.db2.gz LYANOJSNCXYTOA-ZACQAIPSSA-N 1 0 337.508 4.084 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC2CCCCC2)C[C@H]1C#N ZINC001172982193 1050253229 /nfs/dbraw/zinc/25/32/29/1050253229.db2.gz VKXRZZXDIJALNB-ROUUACIJSA-N 1 0 349.519 4.228 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCC2CCCCC2)C[C@H]1C#N ZINC001172982192 1050253821 /nfs/dbraw/zinc/25/38/21/1050253821.db2.gz VKXRZZXDIJALNB-MSOLQXFVSA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccccc1C#N ZINC001173088158 1050280201 /nfs/dbraw/zinc/28/02/01/1050280201.db2.gz YGXMPQRZWGOWEX-CYBMUJFWSA-N 1 0 334.341 4.178 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CC#N)CC1 ZINC001173083809 1050296952 /nfs/dbraw/zinc/29/69/52/1050296952.db2.gz QKUCWTMEKKNGAL-ZDUSSCGKSA-N 1 0 326.362 4.142 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001173086718 1050300403 /nfs/dbraw/zinc/30/04/03/1050300403.db2.gz LGOJFQVQMWXMMY-ZFWWWQNUSA-N 1 0 326.362 4.142 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001173086712 1050300440 /nfs/dbraw/zinc/30/04/40/1050300440.db2.gz LGOJFQVQMWXMMY-DZGCQCFKSA-N 1 0 326.362 4.142 20 30 EIEDRO CCCOC1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001173100768 1050302742 /nfs/dbraw/zinc/30/27/42/1050302742.db2.gz TXRGDXPAYLPMMJ-SOAGJPPSSA-N 1 0 342.483 4.139 20 30 EIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000775015185 1050315892 /nfs/dbraw/zinc/31/58/92/1050315892.db2.gz RVAIOXAUWQLNNW-GFCCVEGCSA-N 1 0 328.250 4.042 20 30 EIEDRO N#CCOc1ccc(C[NH2+]CCCc2c(F)cccc2Cl)cc1 ZINC000775014895 1050315912 /nfs/dbraw/zinc/31/59/12/1050315912.db2.gz WBTXMKPTQJOKAG-UHFFFAOYSA-N 1 0 332.806 4.104 20 30 EIEDRO CC[C@]1([NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)CCOC1 ZINC000618308921 1050335551 /nfs/dbraw/zinc/33/55/51/1050335551.db2.gz CEAOTPXGAUUBEL-NRFANRHFSA-N 1 0 334.463 4.045 20 30 EIEDRO C=C[C@@H]([NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC001173185966 1050337679 /nfs/dbraw/zinc/33/76/79/1050337679.db2.gz QHDUJLYIAURHDI-CZUORRHYSA-N 1 0 344.386 4.190 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](CO)c2sccc2C)cc1Cl ZINC001177931721 1050338479 /nfs/dbraw/zinc/33/84/79/1050338479.db2.gz DFIYAMARKUFYKO-HNNXBMFYSA-N 1 0 337.872 4.098 20 30 EIEDRO CC1(C)CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181808179 1050340673 /nfs/dbraw/zinc/34/06/73/1050340673.db2.gz BMTJSGVTGXOYJK-UHFFFAOYSA-N 1 0 325.500 4.081 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219611 1050352628 /nfs/dbraw/zinc/35/26/28/1050352628.db2.gz OFBRUGAXVWUANB-HOTGVXAUSA-N 1 0 340.423 4.441 20 30 EIEDRO C=CCN1CC[NH+]([C@@H](C)CC(c2ccccc2)c2ccccc2)CC1 ZINC001173212151 1050371478 /nfs/dbraw/zinc/37/14/78/1050371478.db2.gz WCZIAAMWPIRNFS-FQEVSTJZSA-N 1 0 334.507 4.401 20 30 EIEDRO Cc1cc(C#N)c(Nc2cccc(N3CC[NH+](C)CC3)c2)cc1Cl ZINC001212717137 1050381653 /nfs/dbraw/zinc/38/16/53/1050381653.db2.gz OSXYJKNMICEYDK-UHFFFAOYSA-N 1 0 340.858 4.016 20 30 EIEDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000181899449 1050382413 /nfs/dbraw/zinc/38/24/13/1050382413.db2.gz KUYCAVOPLPVADR-QGZVFWFLSA-N 1 0 330.435 4.212 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)Cc2ccccc2Br)cc1 ZINC001178147601 1050389061 /nfs/dbraw/zinc/38/90/61/1050389061.db2.gz FABBVLFMGQRHFW-CQSZACIVSA-N 1 0 328.253 4.151 20 30 EIEDRO CCCCCCCC[C@@H](CCC)[NH2+]C1CCN(C(=O)COC)CC1 ZINC001173310022 1050404390 /nfs/dbraw/zinc/40/43/90/1050404390.db2.gz NTUXXVXXTSRSCE-GOSISDBHSA-N 1 0 340.552 4.133 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2ccccc2Br)CC1 ZINC001173312149 1050406439 /nfs/dbraw/zinc/40/64/39/1050406439.db2.gz VJXVWSXTAAOXFU-UHFFFAOYSA-N 1 0 338.289 4.095 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC2(Cc3ccccc3)CC2)cc1OC ZINC001178244912 1050410412 /nfs/dbraw/zinc/41/04/12/1050410412.db2.gz WWQQZLMTVRMINX-UHFFFAOYSA-N 1 0 337.463 4.373 20 30 EIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001173284937 1050413743 /nfs/dbraw/zinc/41/37/43/1050413743.db2.gz LQYAIFAFRPGYDH-ZWKOTPCHSA-N 1 0 331.566 4.320 20 30 EIEDRO C=CCOC1CCC(n2c3ccc(F)cc3c3c2CC[NH2+]C3)CC1 ZINC001173326499 1050418380 /nfs/dbraw/zinc/41/83/80/1050418380.db2.gz IHJJUMIKGGCDNV-UHFFFAOYSA-N 1 0 328.431 4.112 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC(C)(C[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173329807 1050420470 /nfs/dbraw/zinc/42/04/70/1050420470.db2.gz NNFMTNAORNBKHG-UHFFFAOYSA-N 1 0 349.519 4.086 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001173327542 1050420481 /nfs/dbraw/zinc/42/04/81/1050420481.db2.gz OAGHEEWLJYJFIA-UHFFFAOYSA-N 1 0 338.495 4.327 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@H]1CC[NH2+]C1CCC(CC#N)CC1 ZINC001173330186 1050420743 /nfs/dbraw/zinc/42/07/43/1050420743.db2.gz XUAXDEUVZYEDRP-ABHNRTSZSA-N 1 0 349.519 4.228 20 30 EIEDRO N#CCC1CCC([NH2+][C@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001173330316 1050420890 /nfs/dbraw/zinc/42/08/90/1050420890.db2.gz OVYLZMFMSYECLK-OAAAQFAESA-N 1 0 330.447 4.355 20 30 EIEDRO CC(C)[NH2+]C1CCN(c2c(C#N)cnc3ccc(C(C)C)cc32)CC1 ZINC000618584720 1050421097 /nfs/dbraw/zinc/42/10/97/1050421097.db2.gz IUUFINUQIKLMMX-UHFFFAOYSA-N 1 0 336.483 4.197 20 30 EIEDRO CC1([NH2+]C2CCC(CC#N)CC2)CCN(Cc2ccccc2)CC1 ZINC001173332471 1050423100 /nfs/dbraw/zinc/42/31/00/1050423100.db2.gz LWGUVQJLSGRYSP-UHFFFAOYSA-N 1 0 325.500 4.103 20 30 EIEDRO CN(Cc1ccc(F)cc1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173336502 1050425005 /nfs/dbraw/zinc/42/50/05/1050425005.db2.gz BKRDWTSFFVKTPE-UHFFFAOYSA-N 1 0 343.490 4.194 20 30 EIEDRO C[N@H+](C1CCC(CC#N)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001173336816 1050425906 /nfs/dbraw/zinc/42/59/06/1050425906.db2.gz NACSGEYYXCRQRL-LBXVMSDZSA-N 1 0 349.519 4.180 20 30 EIEDRO N#CCC1CCC([NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC001173340044 1050427141 /nfs/dbraw/zinc/42/71/41/1050427141.db2.gz XXGGYQKCXCMJMD-UHFFFAOYSA-N 1 0 330.447 4.279 20 30 EIEDRO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173339553 1050427616 /nfs/dbraw/zinc/42/76/16/1050427616.db2.gz OOXWBYAOCGKKMQ-RRWXTXHCSA-N 1 0 340.467 4.473 20 30 EIEDRO COc1cc(C)ccc1OC1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173338140 1050428416 /nfs/dbraw/zinc/42/84/16/1050428416.db2.gz ZDRBRYPULHTUNI-UHFFFAOYSA-N 1 0 342.483 4.319 20 30 EIEDRO N#CCC1CCC([NH+]2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1 ZINC001173339065 1050428648 /nfs/dbraw/zinc/42/86/48/1050428648.db2.gz KUBADAJQTCYASZ-UHFFFAOYSA-N 1 0 346.421 4.332 20 30 EIEDRO N#CCC1CCC([NH+]2CC(Oc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001173339410 1050428724 /nfs/dbraw/zinc/42/87/24/1050428724.db2.gz OIZFAPCODUBGPL-UHFFFAOYSA-N 1 0 338.373 4.241 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2ccc(F)c(F)c2F)cc1 ZINC001178291265 1050430606 /nfs/dbraw/zinc/43/06/06/1050430606.db2.gz SBGIUXQIILRBJE-UHFFFAOYSA-N 1 0 332.369 4.237 20 30 EIEDRO C=CCOC1CCC([NH2+]CC2(Cc3cccc(OC)c3)CC2)CC1 ZINC001173317271 1050440717 /nfs/dbraw/zinc/44/07/17/1050440717.db2.gz FADYRJYVLDSOST-UHFFFAOYSA-N 1 0 329.484 4.121 20 30 EIEDRO C=CCOC1CCC([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)CC1 ZINC001173319300 1050440835 /nfs/dbraw/zinc/44/08/35/1050440835.db2.gz DOUOHMCNHYFUIP-KVULBXGLSA-N 1 0 344.282 4.130 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC001173319697 1050441313 /nfs/dbraw/zinc/44/13/13/1050441313.db2.gz RTXLZESTSRHPFO-UHFFFAOYSA-N 1 0 327.468 4.095 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC001173319583 1050441793 /nfs/dbraw/zinc/44/17/93/1050441793.db2.gz NDOCEMWGQRGFDH-UHFFFAOYSA-N 1 0 349.902 4.137 20 30 EIEDRO CC[N@@H+]1CC[C@H](N(Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)C1 ZINC001173367237 1050444194 /nfs/dbraw/zinc/44/41/94/1050444194.db2.gz FGYQNZCNWZBONR-GCJKJVERSA-N 1 0 333.479 4.216 20 30 EIEDRO CCCCCCC[N@H+](C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173431808 1050456575 /nfs/dbraw/zinc/45/65/75/1050456575.db2.gz NDPGVOIVROBNFF-UHFFFAOYSA-N 1 0 341.499 4.065 20 30 EIEDRO COc1ccc(CC2(C[NH2+]C3CCC(C)(C#N)CC3)CCC2)cc1 ZINC001173591768 1050494404 /nfs/dbraw/zinc/49/44/04/1050494404.db2.gz YFVLHQMIEPWMJO-UHFFFAOYSA-N 1 0 326.484 4.470 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001173588701 1050495103 /nfs/dbraw/zinc/49/51/03/1050495103.db2.gz PEGUWBGROXSVKJ-GPJFCIFZSA-N 1 0 330.447 4.355 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC001173594176 1050496612 /nfs/dbraw/zinc/49/66/12/1050496612.db2.gz UKPWVSXLZKAALE-UHFFFAOYSA-N 1 0 333.273 4.280 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)CC1 ZINC001173592861 1050497100 /nfs/dbraw/zinc/49/71/00/1050497100.db2.gz DXFZVVNOVQFHSW-NRAUKZCXSA-N 1 0 327.255 4.089 20 30 EIEDRO CC(C)(C)OC(=O)Cc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC001173592429 1050497545 /nfs/dbraw/zinc/49/75/45/1050497545.db2.gz NYMJVDOGGGUUOS-UHFFFAOYSA-N 1 0 342.483 4.133 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)CC1 ZINC001173595245 1050497806 /nfs/dbraw/zinc/49/78/06/1050497806.db2.gz VLSDPLOOOLTRLT-MWXLCCTBSA-N 1 0 338.495 4.498 20 30 EIEDRO CC(C)[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173595772 1050497824 /nfs/dbraw/zinc/49/78/24/1050497824.db2.gz WJJFNGITCZUHCL-GNZRSQJKSA-N 1 0 349.519 4.036 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC001178542591 1050497941 /nfs/dbraw/zinc/49/79/41/1050497941.db2.gz NAGBGAYOWCCWGQ-HSZRJFAPSA-N 1 0 347.506 4.175 20 30 EIEDRO CCOC(=O)CCC[N@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173596755 1050498999 /nfs/dbraw/zinc/49/89/99/1050498999.db2.gz CJPSARFTSUPNOT-UHFFFAOYSA-N 1 0 342.483 4.304 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(Br)c(F)c1 ZINC000618742652 1050500315 /nfs/dbraw/zinc/50/03/15/1050500315.db2.gz NZJGXCJNLTYKDS-KRWDZBQOSA-N 1 0 345.215 4.237 20 30 EIEDRO C[N@H+](C1CCC(C)(C#N)CC1)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001173600931 1050501266 /nfs/dbraw/zinc/50/12/66/1050501266.db2.gz MKKKWDRRDWUJMK-ZEVUXNIQSA-N 1 0 349.519 4.227 20 30 EIEDRO CCOc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1OCC ZINC000618742723 1050501556 /nfs/dbraw/zinc/50/15/56/1050501556.db2.gz QEYYROXEMGDNQL-LJQANCHMSA-N 1 0 336.435 4.133 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)CC1 ZINC001173601433 1050502025 /nfs/dbraw/zinc/50/20/25/1050502025.db2.gz SZPWPWPLRKUAPX-HRTMPFAESA-N 1 0 337.511 4.199 20 30 EIEDRO N#Cc1cccc(C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1 ZINC001203657306 1050513369 /nfs/dbraw/zinc/51/33/69/1050513369.db2.gz JGQCHXZPCJBVPK-UHFFFAOYSA-N 1 0 326.827 4.297 20 30 EIEDRO Fc1cccc(C[NH2+]CC2(C(F)(F)F)CC2)c1OC(F)(F)F ZINC001178668244 1050526292 /nfs/dbraw/zinc/52/62/92/1050526292.db2.gz SJRKQAPUQWJHPI-UHFFFAOYSA-N 1 0 331.231 4.156 20 30 EIEDRO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173711582 1050552865 /nfs/dbraw/zinc/55/28/65/1050552865.db2.gz FLLINOLJTJIUBX-GMAHTHKFSA-N 1 0 346.474 4.358 20 30 EIEDRO C#Cc1ccc(C[NH2+]C/C=C\c2ccc(Br)cc2)cc1 ZINC001178787364 1050553588 /nfs/dbraw/zinc/55/35/88/1050553588.db2.gz RMCUJMGNOPLHFI-ARJAWSKDSA-N 1 0 326.237 4.233 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1 ZINC001178831059 1050566198 /nfs/dbraw/zinc/56/61/98/1050566198.db2.gz GEJPPVSGCRLGLZ-UAPYVXQJSA-N 1 0 340.264 4.466 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cc(OC)c(OC)cc1F ZINC001178939315 1050592233 /nfs/dbraw/zinc/59/22/33/1050592233.db2.gz BAFZSKCZYDYEBD-QGZVFWFLSA-N 1 0 329.415 4.120 20 30 EIEDRO N#CCc1ccc(C[NH2+]Cc2ccc(Br)cc2Cl)cc1 ZINC001179028555 1050620357 /nfs/dbraw/zinc/62/03/57/1050620357.db2.gz UKKNUHOTNBEOLY-UHFFFAOYSA-N 1 0 349.659 4.458 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC001179095915 1050632000 /nfs/dbraw/zinc/63/20/00/1050632000.db2.gz QDOWQEPBSXNSQA-HZPDHXFCSA-N 1 0 330.230 4.146 20 30 EIEDRO C=CCC1([NH2+]Cc2cc3cccc(C)c3nc2Cl)CCOCC1 ZINC001179105152 1050635654 /nfs/dbraw/zinc/63/56/54/1050635654.db2.gz GROLKTXVWMGIAE-UHFFFAOYSA-N 1 0 330.859 4.412 20 30 EIEDRO CC(C)(F)CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC001179107192 1050635822 /nfs/dbraw/zinc/63/58/22/1050635822.db2.gz ZXRLJRBGXQJNAD-UHFFFAOYSA-N 1 0 326.415 4.365 20 30 EIEDRO Cc1cc(Nc2ccnc(C#N)c2)cnc1NCc1ccc(Cl)cc1 ZINC001187921399 1050647555 /nfs/dbraw/zinc/64/75/55/1050647555.db2.gz UECQPQFUFIEBIL-UHFFFAOYSA-N 1 0 349.825 4.088 20 30 EIEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001179290948 1050664947 /nfs/dbraw/zinc/66/49/47/1050664947.db2.gz GHOCWAWKBIZTQJ-HNNXBMFYSA-N 1 0 337.341 4.093 20 30 EIEDRO CC1(C)CCC[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC001179304306 1050666418 /nfs/dbraw/zinc/66/64/18/1050666418.db2.gz JKQFBUARWVMCAK-GOSISDBHSA-N 1 0 325.500 4.476 20 30 EIEDRO Fc1ccc(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)cc1C(F)(F)F ZINC001179570241 1050720984 /nfs/dbraw/zinc/72/09/84/1050720984.db2.gz CXQROJMIGJOTAI-BXKDBHETSA-N 1 0 345.258 4.044 20 30 EIEDRO C=CCc1cc(C[NH2+]C(C)(C)c2ccc(F)cc2F)cc(OC)c1O ZINC001179594338 1050727077 /nfs/dbraw/zinc/72/70/77/1050727077.db2.gz YGIUBEBSDLKCOA-UHFFFAOYSA-N 1 0 347.405 4.432 20 30 EIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1sccc1Br ZINC001179637103 1050746499 /nfs/dbraw/zinc/74/64/99/1050746499.db2.gz STRKRBVWBWVUPL-UHFFFAOYSA-N 1 0 349.297 4.493 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@]2(CO)CC[C@H](C)c3ccccc32)c1 ZINC001179789015 1050778040 /nfs/dbraw/zinc/77/80/40/1050778040.db2.gz LMGWTAXAQWOEQJ-HTAPYJJXSA-N 1 0 337.463 4.126 20 30 EIEDRO CC(C)Oc1ncccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508196 1050796522 /nfs/dbraw/zinc/79/65/22/1050796522.db2.gz LRTVKDXPRKBDRX-FQEVSTJZSA-N 1 0 335.451 4.298 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508751 1050796826 /nfs/dbraw/zinc/79/68/26/1050796826.db2.gz VIJIWJIVBYFFNE-FCHUYYIVSA-N 1 0 327.431 4.475 20 30 EIEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001179881668 1050817263 /nfs/dbraw/zinc/81/72/63/1050817263.db2.gz ISDDEHDRUDMAHQ-FXAWDEMLSA-N 1 0 333.479 4.077 20 30 EIEDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000619620796 1050840610 /nfs/dbraw/zinc/84/06/10/1050840610.db2.gz NIWNTLBHLKXZQT-HXUWFJFHSA-N 1 0 326.484 4.342 20 30 EIEDRO COc1cc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)ccc1C#N ZINC000619674391 1050851947 /nfs/dbraw/zinc/85/19/47/1050851947.db2.gz AWAJJKOAJMPYJM-UHFFFAOYSA-N 1 0 342.389 4.225 20 30 EIEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619754814 1050883438 /nfs/dbraw/zinc/88/34/38/1050883438.db2.gz LFAIFTWQKJHGST-GFCCVEGCSA-N 1 0 327.815 4.021 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cnn(C2CCCC2)c1 ZINC000619755533 1050883572 /nfs/dbraw/zinc/88/35/72/1050883572.db2.gz KKUSNQJKGMCSIR-ZDUSSCGKSA-N 1 0 328.847 4.374 20 30 EIEDRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619755520 1050883666 /nfs/dbraw/zinc/88/36/66/1050883666.db2.gz KDNANMARSJQMKO-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CSCCc3ccccc32)cc1Cl ZINC000619755119 1050885581 /nfs/dbraw/zinc/88/55/81/1050885581.db2.gz UGNLATUWFUQZIO-SFHVURJKSA-N 1 0 328.868 4.332 20 30 EIEDRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619748542 1050893697 /nfs/dbraw/zinc/89/36/97/1050893697.db2.gz NSWBCEUWQMYWSP-UHFFFAOYSA-N 1 0 336.826 4.200 20 30 EIEDRO Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619748695 1050894971 /nfs/dbraw/zinc/89/49/71/1050894971.db2.gz LNVGZSNALRKUCF-UHFFFAOYSA-N 1 0 336.826 4.200 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccsc2)cc1OCCCC#N ZINC000619747859 1050895054 /nfs/dbraw/zinc/89/50/54/1050895054.db2.gz KKCBHKZGIWPYDB-CQSZACIVSA-N 1 0 330.453 4.290 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)ccc1OC(C)C ZINC000619748994 1050896623 /nfs/dbraw/zinc/89/66/23/1050896623.db2.gz VPVAZVBSIDEVSE-UHFFFAOYSA-N 1 0 344.842 4.297 20 30 EIEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)c2ccccc21 ZINC000619822010 1050922083 /nfs/dbraw/zinc/92/20/83/1050922083.db2.gz CFJAJVDWZGULII-LPTQZCDUSA-N 1 0 348.446 4.391 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1F ZINC000619847253 1050925653 /nfs/dbraw/zinc/92/56/53/1050925653.db2.gz HKSKKKOMQLVUIL-ZDUSSCGKSA-N 1 0 346.833 4.328 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000152999169 1050926836 /nfs/dbraw/zinc/92/68/36/1050926836.db2.gz RSHMGTPRVGWQKQ-AWEZNQCLSA-N 1 0 326.406 4.397 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000153014125 1050932027 /nfs/dbraw/zinc/93/20/27/1050932027.db2.gz ADVOLMLLWLIVAM-AWEZNQCLSA-N 1 0 326.406 4.397 20 30 EIEDRO CC(C)C1CCC(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC001180271712 1050942425 /nfs/dbraw/zinc/94/24/25/1050942425.db2.gz QWNKNCBLZGQCSG-UHFFFAOYSA-N 1 0 343.490 4.282 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](c2ccccc2C)C(C)C)c(C#N)c1C ZINC000183214476 1051030651 /nfs/dbraw/zinc/03/06/51/1051030651.db2.gz GHIRHRFDSVLNHN-LJQANCHMSA-N 1 0 339.439 4.002 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620195175 1051058936 /nfs/dbraw/zinc/05/89/36/1051058936.db2.gz AQLWKRSFMWSBEM-IBGZPJMESA-N 1 0 340.511 4.007 20 30 EIEDRO C=CCSCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC001180739578 1051070639 /nfs/dbraw/zinc/07/06/39/1051070639.db2.gz DVHFJGMLGDNQNY-LLVKDONJSA-N 1 0 332.282 4.028 20 30 EIEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001180801751 1051087997 /nfs/dbraw/zinc/08/79/97/1051087997.db2.gz IXPKTSIRWIMCFY-HNAYVOBHSA-N 1 0 336.483 4.263 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CC#Cc2cccc(Cl)c2)c(OC)c1 ZINC001174680775 1051117294 /nfs/dbraw/zinc/11/72/94/1051117294.db2.gz PMJSHZWJRXPFHT-AWEZNQCLSA-N 1 0 329.827 4.060 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000775370583 1051142385 /nfs/dbraw/zinc/14/23/85/1051142385.db2.gz WVKNZZHYSDEUDF-QFIPXVFZSA-N 1 0 331.463 4.326 20 30 EIEDRO C#CCCCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780728185 1051144219 /nfs/dbraw/zinc/14/42/19/1051144219.db2.gz ITPKAVHIZYTQGI-ZWKOTPCHSA-N 1 0 328.456 4.090 20 30 EIEDRO CCCCCCC[C@@H](C)C(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC001181121973 1051158323 /nfs/dbraw/zinc/15/83/23/1051158323.db2.gz RLSTVXVIFRZITO-QGZVFWFLSA-N 1 0 331.504 4.035 20 30 EIEDRO CCCCCCC[C@H](C)C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181132776 1051161838 /nfs/dbraw/zinc/16/18/38/1051161838.db2.gz IOXSPPUWOLNAKG-BZSNNMDCSA-N 1 0 346.519 4.076 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sc2ccccc2c1C#N)Cc1ccccc1 ZINC001181138612 1051163933 /nfs/dbraw/zinc/16/39/33/1051163933.db2.gz JZVGDEMJCKPKJU-UHFFFAOYSA-N 1 0 349.459 4.234 20 30 EIEDRO CC(C)(C)c1ccc(C(C)(C)[NH2+]C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000775377412 1051166576 /nfs/dbraw/zinc/16/65/76/1051166576.db2.gz WTSUIOHISVTHQN-FQEVSTJZSA-N 1 0 336.479 4.414 20 30 EIEDRO CCCCC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001174781750 1051171994 /nfs/dbraw/zinc/17/19/94/1051171994.db2.gz ZPEFCOMGRXQNEW-LJQANCHMSA-N 1 0 327.472 4.322 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000775393954 1051204877 /nfs/dbraw/zinc/20/48/77/1051204877.db2.gz CJJJEUKEICFBDH-RTBURBONSA-N 1 0 348.471 4.474 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cc(F)cc(Br)c1)c1ccccc1 ZINC000775400418 1051228193 /nfs/dbraw/zinc/22/81/93/1051228193.db2.gz ZZCHLAPQMTZBDI-KRWDZBQOSA-N 1 0 332.216 4.442 20 30 EIEDRO C#CC[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000775398385 1051231435 /nfs/dbraw/zinc/23/14/35/1051231435.db2.gz IDANGWRDMKYTEX-SFHVURJKSA-N 1 0 326.827 4.023 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000153870338 1051237590 /nfs/dbraw/zinc/23/75/90/1051237590.db2.gz BACBNOFWBRMBPY-GOSISDBHSA-N 1 0 346.352 4.169 20 30 EIEDRO C#CC[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)C1CCCCC1 ZINC001190708893 1051250439 /nfs/dbraw/zinc/25/04/39/1051250439.db2.gz YIGYCHPGKLORMN-UHFFFAOYSA-N 1 0 334.504 4.044 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC#N)cc1 ZINC000775407949 1051263508 /nfs/dbraw/zinc/26/35/08/1051263508.db2.gz RMOLVWJKPGIIMV-BTYIYWSLSA-N 1 0 331.419 4.189 20 30 EIEDRO N#Cc1ccccc1N1CCCN(Cc2cccc(Cl)c2F)CC1 ZINC001190819441 1051283418 /nfs/dbraw/zinc/28/34/18/1051283418.db2.gz VVAGCBQGVLGIRU-UHFFFAOYSA-N 1 0 343.833 4.063 20 30 EIEDRO C=CCC1(C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001181751715 1051295915 /nfs/dbraw/zinc/29/59/15/1051295915.db2.gz BDUWRUDFHHODCL-IAGOWNOFSA-N 1 0 336.520 4.358 20 30 EIEDRO CO[C@H](C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(Cl)cc1 ZINC001175062899 1051315935 /nfs/dbraw/zinc/31/59/35/1051315935.db2.gz VOKDLWZJNATYDF-HXUWFJFHSA-N 1 0 340.854 4.152 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC001191012974 1051326712 /nfs/dbraw/zinc/32/67/12/1051326712.db2.gz DQKLDSRCSNOHPX-KRWDZBQOSA-N 1 0 330.472 4.094 20 30 EIEDRO CCCCCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001191112937 1051355111 /nfs/dbraw/zinc/35/51/11/1051355111.db2.gz PFRASAZNEUCECI-ICSRJNTNSA-N 1 0 345.531 4.309 20 30 EIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC001191164653 1051371668 /nfs/dbraw/zinc/37/16/68/1051371668.db2.gz IJDAGDVWWQFSCV-HZPDHXFCSA-N 1 0 340.389 4.212 20 30 EIEDRO CC(C)[C@@H](CO)[N@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC001191306528 1051420961 /nfs/dbraw/zinc/42/09/61/1051420961.db2.gz QLTVUBMTEYHMLL-OAQYLSRUSA-N 1 0 341.882 4.211 20 30 EIEDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001182205136 1051421502 /nfs/dbraw/zinc/42/15/02/1051421502.db2.gz WXROXFZMNFGUPA-NRFANRHFSA-N 1 0 342.483 4.041 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cccc(O[C@H](C#N)CC)c1)c1ccc(C#N)cc1 ZINC000774241246 1051513442 /nfs/dbraw/zinc/51/34/42/1051513442.db2.gz BBVGNEAFDUCQAJ-PZJWPPBQSA-N 1 0 333.435 4.480 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000774256619 1051529110 /nfs/dbraw/zinc/52/91/10/1051529110.db2.gz YGXCYNJKXWSOLK-IRXDYDNUSA-N 1 0 332.806 4.125 20 30 EIEDRO COc1ccc([C@@H](NCc2ccc(C#N)c(F)c2)c2ccco2)cc1 ZINC001182398347 1051529371 /nfs/dbraw/zinc/52/93/71/1051529371.db2.gz RBLJPCBMZYGBMM-HXUWFJFHSA-N 1 0 336.366 4.178 20 30 EIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC001175339907 1051538738 /nfs/dbraw/zinc/53/87/38/1051538738.db2.gz AEKWDQWTFSXVDB-MOPGFXCFSA-N 1 0 344.817 4.013 20 30 EIEDRO CC[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000774361404 1051562527 /nfs/dbraw/zinc/56/25/27/1051562527.db2.gz XYVSBRZICWHFTR-OALUTQOASA-N 1 0 328.843 4.160 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC001191927733 1051586087 /nfs/dbraw/zinc/58/60/87/1051586087.db2.gz DECDRVNCXVWSIM-FQEVSTJZSA-N 1 0 329.447 4.462 20 30 EIEDRO N#Cc1cc(F)c(N=C2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC001175505750 1051633995 /nfs/dbraw/zinc/63/39/95/1051633995.db2.gz GQMZUWLEZQWYDO-UHFFFAOYSA-N 1 0 325.362 4.038 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506735 1051646234 /nfs/dbraw/zinc/64/62/34/1051646234.db2.gz CWVYNSWTLUIHTB-QIJUGHKUSA-N 1 0 335.495 4.199 20 30 EIEDRO Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)CC2(CC#N)CC2)c1 ZINC001192173278 1051647258 /nfs/dbraw/zinc/64/72/58/1051647258.db2.gz HTNRWMQIRNFFJL-OAQYLSRUSA-N 1 0 334.463 4.225 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000060372175 1051666312 /nfs/dbraw/zinc/66/63/12/1051666312.db2.gz NQLRFYUBQYTEFW-KRWDZBQOSA-N 1 0 328.847 4.102 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC(C)(c3ccccc3)CC2)cc1 ZINC001192292403 1051684940 /nfs/dbraw/zinc/68/49/40/1051684940.db2.gz SYXLFWXCZVUDSW-UHFFFAOYSA-N 1 0 346.474 4.050 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2CCCc2ccccc2)cc1 ZINC001192435223 1051714949 /nfs/dbraw/zinc/71/49/49/1051714949.db2.gz OXODMSKGNZFMQO-XZOQPEGZSA-N 1 0 348.490 4.469 20 30 EIEDRO C=C(C[NH+]1CCCC1)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccc1 ZINC001183085719 1051776126 /nfs/dbraw/zinc/77/61/26/1051776126.db2.gz FUQJBUGQJRHIBF-QFIPXVFZSA-N 1 0 348.490 4.047 20 30 EIEDRO CC(C)CC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC001192604173 1051776090 /nfs/dbraw/zinc/77/60/90/1051776090.db2.gz KMEZTDBHYVVGSG-GOSISDBHSA-N 1 0 329.488 4.327 20 30 EIEDRO C#CC[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001192791987 1051817882 /nfs/dbraw/zinc/81/78/82/1051817882.db2.gz OPIQHSSVKICHQH-IBGZPJMESA-N 1 0 343.348 4.291 20 30 EIEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC001192919709 1051832962 /nfs/dbraw/zinc/83/29/62/1051832962.db2.gz YXHCVZSSBBFVQM-HNNXBMFYSA-N 1 0 341.236 4.394 20 30 EIEDRO Clc1cccc(C#CC[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC001193012305 1051853660 /nfs/dbraw/zinc/85/36/60/1051853660.db2.gz PKGDIDYKAVPLNB-IBGZPJMESA-N 1 0 349.865 4.206 20 30 EIEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183511312 1051860818 /nfs/dbraw/zinc/86/08/18/1051860818.db2.gz LMMQHBMQDQYPKW-USXIJHARSA-N 1 0 327.390 4.258 20 30 EIEDRO C[N@H+](CCOc1cccc(C#N)c1)C1(Cc2ccccc2)CCCC1 ZINC001175946015 1051864566 /nfs/dbraw/zinc/86/45/66/1051864566.db2.gz GWODJLCRBJWXLJ-UHFFFAOYSA-N 1 0 334.463 4.424 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C)[C@@H]1CCCO1 ZINC000775571238 1051873098 /nfs/dbraw/zinc/87/30/98/1051873098.db2.gz DCPQFTJDUMYDQD-ZLIFDBKOSA-N 1 0 344.455 4.089 20 30 EIEDRO Cc1nnsc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001193293728 1051897382 /nfs/dbraw/zinc/89/73/82/1051897382.db2.gz QJBZWLDQZJGXPU-ZDUSSCGKSA-N 1 0 334.448 4.236 20 30 EIEDRO CSc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)cc1C#N ZINC001183798988 1051901431 /nfs/dbraw/zinc/90/14/31/1051901431.db2.gz HVSMXTURJSLBFY-ROUUACIJSA-N 1 0 344.524 4.496 20 30 EIEDRO C#CC[N@@H+](C[C@H](C)C(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176130424 1051926540 /nfs/dbraw/zinc/92/65/40/1051926540.db2.gz VIZOOONBYGFEND-INIZCTEOSA-N 1 0 336.520 4.003 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cc2ccccc2s1 ZINC000184373235 1051930060 /nfs/dbraw/zinc/93/00/60/1051930060.db2.gz INHZPDGRLHMWMJ-LLVKDONJSA-N 1 0 341.461 4.124 20 30 EIEDRO C[C@]1(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C[C@@H]1c1ccccc1 ZINC001184044497 1051943774 /nfs/dbraw/zinc/94/37/74/1051943774.db2.gz BDVUKAAKEQZQKQ-BHIFYINESA-N 1 0 332.447 4.125 20 30 EIEDRO C[C@]1(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)C[C@@H]1c1ccccc1 ZINC001184044498 1051945308 /nfs/dbraw/zinc/94/53/08/1051945308.db2.gz BDVUKAAKEQZQKQ-YPAWHYETSA-N 1 0 332.447 4.125 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)cc1 ZINC001193647999 1051966026 /nfs/dbraw/zinc/96/60/26/1051966026.db2.gz CBPGVEJLTNWBCQ-DOADOZAASA-N 1 0 341.499 4.045 20 30 EIEDRO CCc1ccc([C@@H](CNc2nc(C)c(C#N)cc2Cl)[NH+](C)C)cc1 ZINC001184491541 1052013881 /nfs/dbraw/zinc/01/38/81/1052013881.db2.gz NBCZUZLLYWZWBJ-GOSISDBHSA-N 1 0 342.874 4.192 20 30 EIEDRO C=CC[N@@H+](C)CCN(CC)Cc1ccc(Cl)cc1Br ZINC001193913301 1052028249 /nfs/dbraw/zinc/02/82/49/1052028249.db2.gz ITOKPXOYLHTJGH-UHFFFAOYSA-N 1 0 345.712 4.042 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)CCCC1(C)C ZINC001193920990 1052027847 /nfs/dbraw/zinc/02/78/47/1052027847.db2.gz SHZBTIHKBFSIEH-KRWDZBQOSA-N 1 0 343.446 4.366 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCCC1(C)C ZINC001193920422 1052029416 /nfs/dbraw/zinc/02/94/16/1052029416.db2.gz MYTMAIMYDMCLFV-HXUWFJFHSA-N 1 0 328.500 4.090 20 30 EIEDRO CSc1ccccc1C[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC001193974341 1052034939 /nfs/dbraw/zinc/03/49/39/1052034939.db2.gz CEPNJIGPVJPQQE-UHFFFAOYSA-N 1 0 326.465 4.181 20 30 EIEDRO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001194019249 1052050510 /nfs/dbraw/zinc/05/05/10/1052050510.db2.gz CBJGPYALIHPMFR-KRWDZBQOSA-N 1 0 329.463 4.200 20 30 EIEDRO C#CCC1([NH2+]CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)CCCCC1 ZINC001176432063 1052053330 /nfs/dbraw/zinc/05/33/30/1052053330.db2.gz MEKTVJNWZMLVOP-QGZVFWFLSA-N 1 0 344.474 4.051 20 30 EIEDRO CC(C)(CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1)C1CC1 ZINC001193991476 1052054732 /nfs/dbraw/zinc/05/47/32/1052054732.db2.gz VDHVONWUCIXJQB-IBGZPJMESA-N 1 0 345.918 4.349 20 30 EIEDRO Nc1ccccc1C(NO)=[NH+]C=Cc1ccc(-c2ccccc2)cc1 ZINC001176407633 1052065118 /nfs/dbraw/zinc/06/51/18/1052065118.db2.gz FSSVSOKNIJHHEH-CCEZHUSRSA-N 1 0 329.403 4.332 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cc(Cl)cc2c1OCC2 ZINC001176453494 1052075977 /nfs/dbraw/zinc/07/59/77/1052075977.db2.gz VFZUHYUIBRRWPM-CYBMUJFWSA-N 1 0 326.827 4.040 20 30 EIEDRO CCC#C[C@@H](C)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001194212682 1052105587 /nfs/dbraw/zinc/10/55/87/1052105587.db2.gz FEEAGNDUQGDJCC-CYBMUJFWSA-N 1 0 344.808 4.283 20 30 EIEDRO C=C1CCC(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC001203602522 1052129924 /nfs/dbraw/zinc/12/99/24/1052129924.db2.gz BNFKKNPSOPKXJD-UHFFFAOYSA-N 1 0 328.456 4.214 20 30 EIEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@H](O)c1ccc(Cl)cc1Cl ZINC001176554333 1052131665 /nfs/dbraw/zinc/13/16/65/1052131665.db2.gz COOFPEXBXJRQED-HNNXBMFYSA-N 1 0 341.263 4.092 20 30 EIEDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC001194533508 1052163625 /nfs/dbraw/zinc/16/36/25/1052163625.db2.gz CAQAMDZLSBHDOT-HXUWFJFHSA-N 1 0 334.463 4.330 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(C)ccc2OC)ccc1OC ZINC000622266306 1052169666 /nfs/dbraw/zinc/16/96/66/1052169666.db2.gz HZZNEBZPDSBSPX-UHFFFAOYSA-N 1 0 341.451 4.257 20 30 EIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2ccc3[nH]ccc3c2)CC1 ZINC001176787598 1052191006 /nfs/dbraw/zinc/19/10/06/1052191006.db2.gz FPLMILPPADAUTG-UHFFFAOYSA-N 1 0 345.446 4.428 20 30 EIEDRO C=CC[C@@H]1CC[N@H+]1Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001176813616 1052195978 /nfs/dbraw/zinc/19/59/78/1052195978.db2.gz FVWDVGOPFVPECZ-GOSISDBHSA-N 1 0 342.483 4.130 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000774858129 1052220415 /nfs/dbraw/zinc/22/04/15/1052220415.db2.gz VOJWCBMIKHABAJ-CYBMUJFWSA-N 1 0 330.815 4.102 20 30 EIEDRO CCCCCCCC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC001177122601 1052228021 /nfs/dbraw/zinc/22/80/21/1052228021.db2.gz NVDZJDLVHJDMOR-UHFFFAOYSA-N 1 0 343.471 4.298 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)C2CCCCC2)cc1OCCCC#N ZINC000174446321 1052567618 /nfs/dbraw/zinc/56/76/18/1052567618.db2.gz OLQJWKRBDSAANS-INIZCTEOSA-N 1 0 330.472 4.436 20 30 EIEDRO CC(C)(C#N)CCC[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000174834441 1052575902 /nfs/dbraw/zinc/57/59/02/1052575902.db2.gz QXVGVGADLSHCFJ-UHFFFAOYSA-N 1 0 328.456 4.147 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000623413375 1052650463 /nfs/dbraw/zinc/65/04/63/1052650463.db2.gz TXXAXVFYZPMEJA-UHFFFAOYSA-N 1 0 339.435 4.091 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 ZINC000180042524 1052775405 /nfs/dbraw/zinc/77/54/05/1052775405.db2.gz KVBRRWHPSHYAAO-HXUWFJFHSA-N 1 0 336.435 4.125 20 30 EIEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000193089384 1053023100 /nfs/dbraw/zinc/02/31/00/1053023100.db2.gz URGWCVGVWMMQHL-UTKZUKDTSA-N 1 0 347.462 4.063 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H](O)c2cccc3ccccc32)cc1 ZINC000850360483 1053130990 /nfs/dbraw/zinc/13/09/90/1053130990.db2.gz JEPQYQSMNKYHTK-QFIPXVFZSA-N 1 0 344.458 4.464 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000764504230 1053131742 /nfs/dbraw/zinc/13/17/42/1053131742.db2.gz AMHKPGKJKLHESJ-UHFFFAOYSA-N 1 0 347.418 4.083 20 30 EIEDRO C=CCC1([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CCCC1 ZINC000850388969 1053158606 /nfs/dbraw/zinc/15/86/06/1053158606.db2.gz QUTRCVXILBWQMG-UHFFFAOYSA-N 1 0 337.489 4.469 20 30 EIEDRO C=C(Cl)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001195002535 1053227191 /nfs/dbraw/zinc/22/71/91/1053227191.db2.gz GXQLONDTZWNCBG-VQTJNVASSA-N 1 0 344.861 4.136 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cn3ccccc3n2)cc1 ZINC000764626364 1053236170 /nfs/dbraw/zinc/23/61/70/1053236170.db2.gz AMTSAMMEONLYLP-OAHLLOKOSA-N 1 0 341.842 4.316 20 30 EIEDRO C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1ccc(OCC#N)cc1 ZINC000850545403 1053304727 /nfs/dbraw/zinc/30/47/27/1053304727.db2.gz CEIOFLWBNBVXFV-ZYSHUDEJSA-N 1 0 342.483 4.366 20 30 EIEDRO C[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001195155097 1053304983 /nfs/dbraw/zinc/30/49/83/1053304983.db2.gz LXDWJHGFYCYGRR-HSALFYBXSA-N 1 0 326.484 4.089 20 30 EIEDRO C[N@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001195155096 1053306856 /nfs/dbraw/zinc/30/68/56/1053306856.db2.gz LXDWJHGFYCYGRR-AQNXPRMDSA-N 1 0 326.484 4.089 20 30 EIEDRO C[N@H+](Cc1ccccc1NC(=O)c1coc(C#N)c1)C1CCCCC1 ZINC000864723181 1053352506 /nfs/dbraw/zinc/35/25/06/1053352506.db2.gz VVZUKFOOSIWADM-UHFFFAOYSA-N 1 0 337.423 4.168 20 30 EIEDRO C=CCn1c(-c2cccs2)nn(CN2CCC[C@@H]2C(C)C)c1=S ZINC000764914448 1053369850 /nfs/dbraw/zinc/36/98/50/1053369850.db2.gz HXAHMAAWYCPINK-CQSZACIVSA-N 1 0 348.541 4.406 20 30 EIEDRO N#CCc1ccsc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000864851347 1053372963 /nfs/dbraw/zinc/37/29/63/1053372963.db2.gz SKYIXWFWLZDNJV-UHFFFAOYSA-N 1 0 339.464 4.052 20 30 EIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552068361 1053388175 /nfs/dbraw/zinc/38/81/75/1053388175.db2.gz TVEZDODRSUIZBF-KRWDZBQOSA-N 1 0 339.405 4.094 20 30 EIEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2C[C@H](C)C[C@@H]2C)c1=S ZINC000765027297 1053418468 /nfs/dbraw/zinc/41/84/68/1053418468.db2.gz GZTWCGACDIGJEU-CVEARBPZSA-N 1 0 342.512 4.263 20 30 EIEDRO CC[N@H+]1[C@H](C)CN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001195669576 1053447776 /nfs/dbraw/zinc/44/77/76/1053447776.db2.gz JOSXNQGKMUQYPA-HDICACEKSA-N 1 0 333.479 4.140 20 30 EIEDRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCSCc1ccccc1C#N ZINC000765357798 1053514922 /nfs/dbraw/zinc/51/49/22/1053514922.db2.gz BPVBENRRBWTSCF-HNNXBMFYSA-N 1 0 328.456 4.151 20 30 EIEDRO C=C(C[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000765414858 1053539051 /nfs/dbraw/zinc/53/90/51/1053539051.db2.gz ACPWEOOIHMTZOD-UHFFFAOYSA-N 1 0 335.495 4.024 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000765461250 1053556086 /nfs/dbraw/zinc/55/60/86/1053556086.db2.gz LMTOTNAGDGBNMH-AWEZNQCLSA-N 1 0 344.252 4.312 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000775680722 1053557841 /nfs/dbraw/zinc/55/78/41/1053557841.db2.gz FSNZDWUTORVVBT-UNMCSNQZSA-N 1 0 334.463 4.480 20 30 EIEDRO Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCC[C@H](CC#N)C1 ZINC000852318830 1053567664 /nfs/dbraw/zinc/56/76/64/1053567664.db2.gz CEQQBIFDIHVTKG-QGZVFWFLSA-N 1 0 342.874 4.019 20 30 EIEDRO C=CC[N@@H+](CC/C=C/c1ccc(Br)cc1)[C@H](C)COC ZINC001196047813 1053571113 /nfs/dbraw/zinc/57/11/13/1053571113.db2.gz FLUCNTOUEMOIRO-KEDPEKRHSA-N 1 0 338.289 4.375 20 30 EIEDRO C=CC[C@H](C)[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001196048370 1053572075 /nfs/dbraw/zinc/57/20/75/1053572075.db2.gz SIDUMXPISJBOKU-WMZOPIPTSA-N 1 0 336.520 4.310 20 30 EIEDRO CC(C)([NH2+]Cc1cccc(C(=O)C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000852353188 1053572680 /nfs/dbraw/zinc/57/26/80/1053572680.db2.gz DBFKGCNQDWFGDJ-UHFFFAOYSA-N 1 0 346.352 4.328 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)cc1F ZINC000852521361 1053587184 /nfs/dbraw/zinc/58/71/84/1053587184.db2.gz OCLFRTICMHOLJU-IBGZPJMESA-N 1 0 340.398 4.074 20 30 EIEDRO C=CCC1([NH2+]CC(=O)N[C@H](c2cccs2)C(C)(C)C)CCCC1 ZINC001196149783 1053591897 /nfs/dbraw/zinc/59/18/97/1053591897.db2.gz HNHLHBWETDZNSS-QGZVFWFLSA-N 1 0 334.529 4.430 20 30 EIEDRO CC[C@@H]1CCC[C@H](C)N1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852711215 1053604345 /nfs/dbraw/zinc/60/43/45/1053604345.db2.gz CXHOWESYPUSDNZ-RRFJBIMHSA-N 1 0 341.480 4.126 20 30 EIEDRO CCCN(Cc1ccccc1F)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001196166022 1053606037 /nfs/dbraw/zinc/60/60/37/1053606037.db2.gz IOGVLRRUXCVTPF-UHFFFAOYSA-N 1 0 327.359 4.018 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC000852730241 1053606477 /nfs/dbraw/zinc/60/64/77/1053606477.db2.gz PMHIAAVTGAJNBV-UHFFFAOYSA-N 1 0 346.430 4.029 20 30 EIEDRO Fc1ccc(N=NCC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000853256682 1053659288 /nfs/dbraw/zinc/65/92/88/1053659288.db2.gz XSMXIXIBAZRTSE-UHFFFAOYSA-N 1 0 329.394 4.275 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2Cn1nc(-c2ccccc2OC)oc1=S ZINC000853599898 1053689216 /nfs/dbraw/zinc/68/92/16/1053689216.db2.gz XZOBXTVDHLMQMP-OKILXGFUSA-N 1 0 343.452 4.022 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)c(F)c1 ZINC000775723233 1053690903 /nfs/dbraw/zinc/69/09/03/1053690903.db2.gz HXXSQWLPIAZLNW-LJQANCHMSA-N 1 0 328.362 4.274 20 30 EIEDRO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001196535359 1053695836 /nfs/dbraw/zinc/69/58/36/1053695836.db2.gz KVDNGJTZOIGLTR-DYESRHJHSA-N 1 0 341.499 4.030 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000866449660 1053732728 /nfs/dbraw/zinc/73/27/28/1053732728.db2.gz YXRSNPQVPMXZLN-QFBILLFUSA-N 1 0 329.463 4.035 20 30 EIEDRO Cc1sc(NC(=O)C[N@@H+](C)C[C@H](C)C2CCCCC2)c(C#N)c1C ZINC001196819039 1053780827 /nfs/dbraw/zinc/78/08/27/1053780827.db2.gz QMOFRKPHBJIKLK-ZDUSSCGKSA-N 1 0 347.528 4.323 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000866548930 1053780832 /nfs/dbraw/zinc/78/08/32/1053780832.db2.gz WDUPUAWOXLGMIT-XHSDSOJGSA-N 1 0 334.460 4.180 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000866548627 1053782102 /nfs/dbraw/zinc/78/21/02/1053782102.db2.gz WDUPUAWOXLGMIT-JYJNAYRXSA-N 1 0 334.460 4.180 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cc2c(ccnc2Cl)o1 ZINC000866616203 1053807159 /nfs/dbraw/zinc/80/71/59/1053807159.db2.gz LCXNTFIWIBIGLD-IAQYHMDHSA-N 1 0 337.810 4.171 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@H]2Cc3ccc(C#N)cc3C2)ccc1SC ZINC000866618278 1053807326 /nfs/dbraw/zinc/80/73/26/1053807326.db2.gz YCWYJSYQNHNROQ-UGSOOPFHSA-N 1 0 338.476 4.107 20 30 EIEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866617102 1053807654 /nfs/dbraw/zinc/80/76/54/1053807654.db2.gz DYJOJYRCXHCOPW-YVEFUNNKSA-N 1 0 325.481 4.265 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000776729982 1053807689 /nfs/dbraw/zinc/80/76/89/1053807689.db2.gz OGGPWEIXXQLVJC-OAHLLOKOSA-N 1 0 325.431 4.394 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001196984135 1053817642 /nfs/dbraw/zinc/81/76/42/1053817642.db2.gz YDKMAXMJKDBYKE-CRAIPNDOSA-N 1 0 330.435 4.375 20 30 EIEDRO C[C@H]1CC(CC[NH+]2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)C1 ZINC001197033870 1053827673 /nfs/dbraw/zinc/82/76/73/1053827673.db2.gz ZJLIQWWGUSEKGQ-QZTJIDSGSA-N 1 0 325.500 4.143 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)cc1OC ZINC000186160970 1053864328 /nfs/dbraw/zinc/86/43/28/1053864328.db2.gz XGKLXDLTDZOAFS-IBGZPJMESA-N 1 0 336.435 4.221 20 30 EIEDRO C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1cccc(C#N)c1 ZINC000130772565 1053871264 /nfs/dbraw/zinc/87/12/64/1053871264.db2.gz JPIWNITVVJPXLC-UHFFFAOYSA-N 1 0 336.826 4.234 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(OCC(F)F)c2)cc1 ZINC000113337162 1053924068 /nfs/dbraw/zinc/92/40/68/1053924068.db2.gz WZTDBHCQOVOUSE-UHFFFAOYSA-N 1 0 345.389 4.022 20 30 EIEDRO CC#CCN(C)[C@H](c1ccccc1)c1ccccc1Br ZINC001197532088 1053924246 /nfs/dbraw/zinc/92/42/46/1053924246.db2.gz JKARETFXJMKFOM-GOSISDBHSA-N 1 0 328.253 4.494 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cccc(Cl)c2)ccc1OC ZINC000113347862 1053924858 /nfs/dbraw/zinc/92/48/58/1053924858.db2.gz UZZCLBBWZXYXOI-QGZVFWFLSA-N 1 0 344.842 4.319 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC001197599923 1053953194 /nfs/dbraw/zinc/95/31/94/1053953194.db2.gz ASKSTBQTCCSXAV-HZPDHXFCSA-N 1 0 336.545 4.265 20 30 EIEDRO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001197785139 1053994855 /nfs/dbraw/zinc/99/48/55/1053994855.db2.gz BDMJMIQORWKTMT-MRXNPFEDSA-N 1 0 342.446 4.143 20 30 EIEDRO CN(C[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC001197871941 1054011136 /nfs/dbraw/zinc/01/11/36/1054011136.db2.gz BWFZZEDOVZJBKW-INIZCTEOSA-N 1 0 337.508 4.038 20 30 EIEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC001197921185 1054023287 /nfs/dbraw/zinc/02/32/87/1054023287.db2.gz NKWNWRQYZUHGOE-MRXNPFEDSA-N 1 0 330.884 4.103 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1 ZINC000113952441 1054028365 /nfs/dbraw/zinc/02/83/65/1054028365.db2.gz FKAYIKFJGOMGMG-XJKSGUPXSA-N 1 0 330.378 4.497 20 30 EIEDRO CC1(C)CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC001198202832 1054094320 /nfs/dbraw/zinc/09/43/20/1054094320.db2.gz ROPZTJHMDLHNSS-RTWAWAEBSA-N 1 0 334.463 4.107 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCOC23CCCC3)cc1 ZINC001198508756 1054180696 /nfs/dbraw/zinc/18/06/96/1054180696.db2.gz UQSATQKUYBJAIK-NRFANRHFSA-N 1 0 332.447 4.417 20 30 EIEDRO COc1ccc(C[NH+]2CCC(c3ccc(N(C)C)cc3)CC2)cc1C#N ZINC000775879733 1054202383 /nfs/dbraw/zinc/20/23/83/1054202383.db2.gz BTKJTZAEZVZVFB-UHFFFAOYSA-N 1 0 349.478 4.012 20 30 EIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775887329 1054211035 /nfs/dbraw/zinc/21/10/35/1054211035.db2.gz NBITUPPFNRRQGJ-UHFFFAOYSA-N 1 0 349.478 4.012 20 30 EIEDRO CC(C)(C)[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC001198800464 1054271129 /nfs/dbraw/zinc/27/11/29/1054271129.db2.gz LMDACRKXKHVRDX-KRWDZBQOSA-N 1 0 339.401 4.194 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017336 1054401437 /nfs/dbraw/zinc/40/14/37/1054401437.db2.gz NPKYQVQOYRRTCM-HRAATJIYSA-N 1 0 347.462 4.435 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000872139356 1054411749 /nfs/dbraw/zinc/41/17/49/1054411749.db2.gz JQJGZGUIFNYYAW-WIBUTAKZSA-N 1 0 326.390 4.231 20 30 EIEDRO C=CCSc1ncccc1C(=O)NCC[PH+](C(C)C)C(C)C ZINC001199746720 1054462355 /nfs/dbraw/zinc/46/23/55/1054462355.db2.gz ZYJZWCGETOEXFR-UHFFFAOYSA-N 1 0 338.457 4.388 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc(Cl)ccc2OC)cc(OC)c1O ZINC001199800642 1054473385 /nfs/dbraw/zinc/47/33/85/1054473385.db2.gz HPLVZFKLIJVUJT-UHFFFAOYSA-N 1 0 347.842 4.081 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000858377087 1054477537 /nfs/dbraw/zinc/47/75/37/1054477537.db2.gz VADFYGHFRRDTML-GOSISDBHSA-N 1 0 330.790 4.159 20 30 EIEDRO Cn1c2ccccc2c(Br)c1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000873131846 1054490111 /nfs/dbraw/zinc/49/01/11/1054490111.db2.gz XHWQSUUENIDDRM-STQMWFEESA-N 1 0 346.272 4.113 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2C)ccc1SC ZINC000186191395 1054556117 /nfs/dbraw/zinc/55/61/17/1054556117.db2.gz ZTGMAZSGOFKKPF-UHFFFAOYSA-N 1 0 326.465 4.229 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](OC)c2ccccc2Cl)cc1 ZINC001201017661 1054610870 /nfs/dbraw/zinc/61/08/70/1054610870.db2.gz OIYDMTMNMFDPIW-FQEVSTJZSA-N 1 0 343.854 4.219 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000124932901 1054648135 /nfs/dbraw/zinc/64/81/35/1054648135.db2.gz REBXQHBSFJUZCK-KGLIPLIRSA-N 1 0 330.378 4.449 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000552969703 1054658941 /nfs/dbraw/zinc/65/89/41/1054658941.db2.gz VPMIHMVWXHOOIN-SPLOXXLWSA-N 1 0 345.446 4.171 20 30 EIEDRO CCC(CC)[C@@H](CN[C@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCC1 ZINC000776153942 1054747043 /nfs/dbraw/zinc/74/70/43/1054747043.db2.gz KZEQQKJCPLFHPM-DYESRHJHSA-N 1 0 343.515 4.140 20 30 EIEDRO CCN(CC[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1cccc(C)c1 ZINC000776154296 1054753765 /nfs/dbraw/zinc/75/37/65/1054753765.db2.gz SXKMKCDOTIRPIC-GOSISDBHSA-N 1 0 337.467 4.075 20 30 EIEDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1(C)C ZINC000776162142 1054772637 /nfs/dbraw/zinc/77/26/37/1054772637.db2.gz BZJHKYJWGUZQJC-ZYSHUDEJSA-N 1 0 330.472 4.223 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C12CCCCC2 ZINC000776162046 1054774326 /nfs/dbraw/zinc/77/43/26/1054774326.db2.gz BVKGTTFPVGVTNL-LSTHTHJFSA-N 1 0 342.483 4.367 20 30 EIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000776167183 1054800116 /nfs/dbraw/zinc/80/01/16/1054800116.db2.gz BZHPGFVJHSGLDQ-QWHCGFSZSA-N 1 0 331.428 4.078 20 30 EIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000776168007 1054800526 /nfs/dbraw/zinc/80/05/26/1054800526.db2.gz IWJZWDLWNDPVQI-DLBZAZTESA-N 1 0 327.472 4.335 20 30 EIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@@H](C)CCC=C(C)C)C2 ZINC001201487185 1054814518 /nfs/dbraw/zinc/81/45/18/1054814518.db2.gz QYERUGVQVMMPFF-FPOVZHCZSA-N 1 0 332.532 4.402 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H](C)CCC=C(C)C)CC2 ZINC001201486437 1054815586 /nfs/dbraw/zinc/81/55/86/1054815586.db2.gz JTQHXPXESCXXBM-CTNGQTDRSA-N 1 0 332.532 4.402 20 30 EIEDRO N#Cc1cc(F)cc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001201475632 1054829057 /nfs/dbraw/zinc/82/90/57/1054829057.db2.gz XCCJLQYTXYLJEC-RTWAWAEBSA-N 1 0 333.410 4.430 20 30 EIEDRO N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1F ZINC001201475729 1054829881 /nfs/dbraw/zinc/82/98/81/1054829881.db2.gz YTZBAKKQCPWADN-UXHICEINSA-N 1 0 333.410 4.430 20 30 EIEDRO N#Cc1ccc(F)cc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201478036 1054831777 /nfs/dbraw/zinc/83/17/77/1054831777.db2.gz RWCBCNUUYFDHGM-UXHICEINSA-N 1 0 333.410 4.430 20 30 EIEDRO CCCCCCCCCCC[NH+]1CCC(OCC(=O)NCC)CC1 ZINC001201631652 1054860200 /nfs/dbraw/zinc/86/02/00/1054860200.db2.gz WFWWRMOWJBUWDB-UHFFFAOYSA-N 1 0 340.552 4.134 20 30 EIEDRO Cc1[nH+]c2ccc(F)cn2c1Nc1ccc(C(F)(F)F)cc1C#N ZINC001201691217 1054889550 /nfs/dbraw/zinc/88/95/50/1054889550.db2.gz UIJAFMVIPUKEBQ-UHFFFAOYSA-N 1 0 334.276 4.416 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1Nc1cc[nH+]c(N2CCCC2)c1 ZINC001201691684 1054890456 /nfs/dbraw/zinc/89/04/56/1054890456.db2.gz NTVVYFSBTROXTO-UHFFFAOYSA-N 1 0 332.329 4.316 20 30 EIEDRO C#Cc1ccc(C[NH2+]CCOCc2ccc(Cl)cc2Cl)cc1 ZINC001201761803 1054899508 /nfs/dbraw/zinc/89/95/08/1054899508.db2.gz VKNMYALVAMLKPQ-UHFFFAOYSA-N 1 0 334.246 4.281 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001201762759 1054899690 /nfs/dbraw/zinc/89/96/90/1054899690.db2.gz TUDYHGJFKKAVLC-LEWJYISDSA-N 1 0 346.515 4.192 20 30 EIEDRO C=C(C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000671743979 1054904587 /nfs/dbraw/zinc/90/45/87/1054904587.db2.gz LFJVUWRZYKLJSV-INIZCTEOSA-N 1 0 325.452 4.246 20 30 EIEDRO CCCCCCC[N@@H+]1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001201776523 1054914900 /nfs/dbraw/zinc/91/49/00/1054914900.db2.gz DZZOWWMAOOIBKB-NRFANRHFSA-N 1 0 343.515 4.009 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001201776736 1054915319 /nfs/dbraw/zinc/91/53/19/1054915319.db2.gz JMLPWLDOPJEOJV-XUVXKRRUSA-N 1 0 332.488 4.053 20 30 EIEDRO CCCCCCCCCCN1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001201852718 1054920754 /nfs/dbraw/zinc/92/07/54/1054920754.db2.gz HRHYZKQDCPFIQO-LJQANCHMSA-N 1 0 334.552 4.017 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC001201826416 1054925541 /nfs/dbraw/zinc/92/55/41/1054925541.db2.gz VXQYNKATZGCZFC-FQEVSTJZSA-N 1 0 342.527 4.485 20 30 EIEDRO CCCCCCCC[NH+]1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001201839783 1054930926 /nfs/dbraw/zinc/93/09/26/1054930926.db2.gz JDJBPTAHLVQUAU-UHFFFAOYSA-N 1 0 325.884 4.334 20 30 EIEDRO CCCCCCCCC[N@@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001201838672 1054931655 /nfs/dbraw/zinc/93/16/55/1054931655.db2.gz BWTOCUKUYDKDRX-UHFFFAOYSA-N 1 0 330.476 4.028 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000876593268 1054934030 /nfs/dbraw/zinc/93/40/30/1054934030.db2.gz YSBUHWUMZKZLAO-KGLIPLIRSA-N 1 0 347.673 4.127 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000876600954 1054935915 /nfs/dbraw/zinc/93/59/15/1054935915.db2.gz WETOAQCQLXQGBR-GOEBONIOSA-N 1 0 348.899 4.308 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000876600953 1054936142 /nfs/dbraw/zinc/93/61/42/1054936142.db2.gz WETOAQCQLXQGBR-GDBMZVCRSA-N 1 0 348.899 4.308 20 30 EIEDRO CCCCCCCCCC[N@@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001201875126 1054939928 /nfs/dbraw/zinc/93/99/28/1054939928.db2.gz QFOUBEUADKXJRX-UHFFFAOYSA-N 1 0 344.503 4.418 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876875447 1054976881 /nfs/dbraw/zinc/97/68/81/1054976881.db2.gz VQCUVWIKFIIJBN-HNNXBMFYSA-N 1 0 331.460 4.106 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000877080312 1055014636 /nfs/dbraw/zinc/01/46/36/1055014636.db2.gz AZDKZSGZLWCPDQ-MFKMUULPSA-N 1 0 331.769 4.065 20 30 EIEDRO Cc1ccc(-c2ccccc2NC(=O)[C@@H]([NH3+])CCCCC#N)s1 ZINC000877133689 1055022886 /nfs/dbraw/zinc/02/28/86/1055022886.db2.gz GZSIERURYQQDAP-HNNXBMFYSA-N 1 0 327.453 4.073 20 30 EIEDRO N#CCOc1cccc(N[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877169178 1055029760 /nfs/dbraw/zinc/02/97/60/1055029760.db2.gz JALPTEHFFWMVIN-KNQAVFIVSA-N 1 0 347.462 4.369 20 30 EIEDRO C#CCCCCCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000877475870 1055061630 /nfs/dbraw/zinc/06/16/30/1055061630.db2.gz PBLWWFFJPDLQAN-GOSISDBHSA-N 1 0 345.487 4.074 20 30 EIEDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000877503397 1055066077 /nfs/dbraw/zinc/06/60/77/1055066077.db2.gz LBCZLZQGTDHFOD-GTJPDFRWSA-N 1 0 328.780 4.024 20 30 EIEDRO C#CCCCCCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000877522531 1055070633 /nfs/dbraw/zinc/07/06/33/1055070633.db2.gz BQJLYWNQBCTBGS-CQSZACIVSA-N 1 0 343.393 4.285 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC001202193944 1055079443 /nfs/dbraw/zinc/07/94/43/1055079443.db2.gz LDGAPZDSTKBWED-RBBKRZOGSA-N 1 0 337.463 4.336 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@H]([NH2+]CC(C)(C)CC#N)CC[C@H]21 ZINC000877584372 1055086954 /nfs/dbraw/zinc/08/69/54/1055086954.db2.gz QIDPEGGXMWJJJG-BRWVUGGUSA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@@H]1OC2(CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c2ccccc21 ZINC001137124046 1055087724 /nfs/dbraw/zinc/08/77/24/1055087724.db2.gz OCFIDBDXEQZLML-KRWDZBQOSA-N 1 0 348.446 4.171 20 30 EIEDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000877593873 1055089311 /nfs/dbraw/zinc/08/93/11/1055089311.db2.gz IFBZBFJQZSYGRZ-IJRIMCCZSA-N 1 0 334.400 4.248 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(Cl)cc(Cl)c1F ZINC000877734830 1055112028 /nfs/dbraw/zinc/11/20/28/1055112028.db2.gz HIMRIIBBDXJXET-NSHDSACASA-N 1 0 345.245 4.321 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCCc2ccccc2F)cc1OC ZINC001202242873 1055113882 /nfs/dbraw/zinc/11/38/82/1055113882.db2.gz OYILOXLEDGMDKY-UHFFFAOYSA-N 1 0 329.415 4.122 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)cc1OC ZINC000877814173 1055126522 /nfs/dbraw/zinc/12/65/22/1055126522.db2.gz VEXLLDOSKXESSZ-INIZCTEOSA-N 1 0 344.480 4.014 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000877903638 1055149245 /nfs/dbraw/zinc/14/92/45/1055149245.db2.gz ZILHSWGVTIEIMZ-UYAOXDASSA-N 1 0 338.476 4.326 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCc2ccccc2[C@H]1C)c1ccccc1 ZINC000878082815 1055184127 /nfs/dbraw/zinc/18/41/27/1055184127.db2.gz GIPIBDLYJAGGSR-VGOFRKELSA-N 1 0 332.447 4.046 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cccc(F)c2F)c1 ZINC000776309351 1055191711 /nfs/dbraw/zinc/19/17/11/1055191711.db2.gz CWXHJIJAEDTJLL-HIFRSBDPSA-N 1 0 330.378 4.497 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cccc(Br)n1 ZINC000794530743 1055201121 /nfs/dbraw/zinc/20/11/21/1055201121.db2.gz VQNQGRFJIRNOOD-UHFFFAOYSA-N 1 0 331.257 4.422 20 30 EIEDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCCC[C@H]12 ZINC000075625391 1055256875 /nfs/dbraw/zinc/25/68/75/1055256875.db2.gz GYMTZRTWTYBBGX-OLMNPRSZSA-N 1 0 336.439 4.009 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404964 1055291733 /nfs/dbraw/zinc/29/17/33/1055291733.db2.gz ACGMCHWJZYDUPR-JTHBVZDNSA-N 1 0 346.474 4.225 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000850034799 1055327455 /nfs/dbraw/zinc/32/74/55/1055327455.db2.gz PUGZMILXUONDJA-UHFFFAOYSA-N 1 0 333.479 4.378 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000765800022 1055349656 /nfs/dbraw/zinc/34/96/56/1055349656.db2.gz MBHCCFJFTDCBDA-LPHOPBHVSA-N 1 0 345.870 4.072 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000186319945 1055350717 /nfs/dbraw/zinc/35/07/17/1055350717.db2.gz YBJSIVSZWLDKSP-OAHLLOKOSA-N 1 0 333.435 4.066 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCc3occc32)ccc1OC ZINC000127276639 1055370258 /nfs/dbraw/zinc/37/02/58/1055370258.db2.gz TWUDOIHTQGPZCS-KRWDZBQOSA-N 1 0 327.424 4.410 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(C#N)c1 ZINC000902752052 1055370361 /nfs/dbraw/zinc/37/03/61/1055370361.db2.gz FXMJUZCKVSHLTH-AUUYWEPGSA-N 1 0 333.435 4.245 20 30 EIEDRO C=C(C[NH2+][C@H]1CC[C@@H](C(=O)OCC)c2ccccc21)c1ccccc1 ZINC000338671774 1055514499 /nfs/dbraw/zinc/51/44/99/1055514499.db2.gz GXBDGXUNYPVBKT-RTWAWAEBSA-N 1 0 335.447 4.471 20 30 EIEDRO N#CCCn1cc(C(=O)C[N@@H+]2CCCC3(CC3)CC2)c2ccccc21 ZINC000626113652 1055799655 /nfs/dbraw/zinc/79/96/55/1055799655.db2.gz AIUHJOZLKOBTHR-UHFFFAOYSA-N 1 0 335.451 4.004 20 30 EIEDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000123067410 1055838307 /nfs/dbraw/zinc/83/83/07/1055838307.db2.gz GVCGNYFXPPXUNK-DYESRHJHSA-N 1 0 333.479 4.140 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000273467412 1055858055 /nfs/dbraw/zinc/85/80/55/1055858055.db2.gz RKWJKBCWZFWZNB-VIZZQPHQSA-N 1 0 342.389 4.407 20 30 EIEDRO Cc1nnc(NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c(C#N)c1C ZINC000301181230 1055905388 /nfs/dbraw/zinc/90/53/88/1055905388.db2.gz QDBXGJZWMGEXCQ-QGZVFWFLSA-N 1 0 349.482 4.041 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000301312998 1055919315 /nfs/dbraw/zinc/91/93/15/1055919315.db2.gz JPZODNFUQKYTFH-CQSZACIVSA-N 1 0 340.858 4.244 20 30 EIEDRO N#Cc1cccc(Cl)c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000301344003 1055924994 /nfs/dbraw/zinc/92/49/94/1055924994.db2.gz HCFWRWOAGMCBJV-UHFFFAOYSA-N 1 0 325.843 4.288 20 30 EIEDRO C[NH+](C)[C@@H](CNc1c(C#N)cnc2ccc(Cl)cc21)c1ccco1 ZINC000301364824 1055926512 /nfs/dbraw/zinc/92/65/12/1055926512.db2.gz RRQKIXYGPBOQIM-INIZCTEOSA-N 1 0 340.814 4.068 20 30 EIEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC1CC[NH+](CC(C)C)CC1 ZINC000301379392 1055929124 /nfs/dbraw/zinc/92/91/24/1055929124.db2.gz ZKPTYIWPMPOJCU-UHFFFAOYSA-N 1 0 340.446 4.086 20 30 EIEDRO C[N@@H+]1CCC[C@H](CNc2c(F)cc(C#N)cc2F)[C@H]1c1cccs1 ZINC000301458071 1055938911 /nfs/dbraw/zinc/93/89/11/1055938911.db2.gz ZJASOYUUJGCICA-ACJLOTCBSA-N 1 0 347.434 4.393 20 30 EIEDRO C[N@@H+]1CCC[C@H](CNc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000301455413 1055939124 /nfs/dbraw/zinc/93/91/24/1055939124.db2.gz YRWYFDYHFZEDDO-KDOFPFPSSA-N 1 0 329.444 4.254 20 30 EIEDRO N#Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1C(F)(F)F ZINC000301747555 1055978515 /nfs/dbraw/zinc/97/85/15/1055978515.db2.gz RCUWRDXTQSNOLY-INIZCTEOSA-N 1 0 349.356 4.419 20 30 EIEDRO CCCCCCc1ccc([C@H](C)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000765854955 1055982997 /nfs/dbraw/zinc/98/29/97/1055982997.db2.gz BUZCUOPOTQEMIZ-SFHVURJKSA-N 1 0 327.516 4.448 20 30 EIEDRO CC(=O)c1ccc(C#N)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000302099611 1056016235 /nfs/dbraw/zinc/01/62/35/1056016235.db2.gz KTEIFSMHURERNL-IIBYNOLFSA-N 1 0 347.462 4.083 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000302115452 1056019376 /nfs/dbraw/zinc/01/93/76/1056019376.db2.gz RGTGIIHTKBMAMO-NRFANRHFSA-N 1 0 333.435 4.010 20 30 EIEDRO C[C@H](NCc1ccc(C#N)cc1F)c1nc2ccc(Cl)cc2n1C ZINC000091334081 1056026307 /nfs/dbraw/zinc/02/63/07/1056026307.db2.gz QXFKTHOQMWERTE-NSHDSACASA-N 1 0 342.805 4.088 20 30 EIEDRO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000057439278 1056061057 /nfs/dbraw/zinc/06/10/57/1056061057.db2.gz ONVYPIGMJPLYIH-AWEZNQCLSA-N 1 0 345.512 4.092 20 30 EIEDRO N#Cc1cc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)cs1 ZINC000921705845 1056072664 /nfs/dbraw/zinc/07/26/64/1056072664.db2.gz QOQKUTMIZGYWJW-UHFFFAOYSA-N 1 0 346.883 4.111 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2c(C#N)cccc2C#N)cc1 ZINC000302855307 1056080150 /nfs/dbraw/zinc/08/01/50/1056080150.db2.gz ROVIJJBFAXEKML-KRWDZBQOSA-N 1 0 344.462 4.416 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCc2ccccn2)Cc2cccc(F)c2)cc1 ZINC000057660644 1056095103 /nfs/dbraw/zinc/09/51/03/1056095103.db2.gz IOGXXDBOYJSEBB-UHFFFAOYSA-N 1 0 345.421 4.337 20 30 EIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2csc(C#N)c2)ccn1 ZINC000921722251 1056147751 /nfs/dbraw/zinc/14/77/51/1056147751.db2.gz ISNQEZCLNPNJFY-AWEZNQCLSA-N 1 0 329.469 4.118 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1OC)c1ccccc1 ZINC001168657949 1056377613 /nfs/dbraw/zinc/37/76/13/1056377613.db2.gz SMMAFKRJOIGSEM-LJQANCHMSA-N 1 0 339.435 4.279 20 30 EIEDRO N#CCC1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000542878301 1056401072 /nfs/dbraw/zinc/40/10/72/1056401072.db2.gz DQLCWJXOFLQPNK-UHFFFAOYSA-N 1 0 334.463 4.418 20 30 EIEDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCCCC1 ZINC000765926088 1056549777 /nfs/dbraw/zinc/54/97/77/1056549777.db2.gz KNXDIKKBRAFULH-SJORKVTESA-N 1 0 349.519 4.276 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000305779901 1056621523 /nfs/dbraw/zinc/62/15/23/1056621523.db2.gz SHRHBBXLZJSURY-OPAMFIHVSA-N 1 0 343.430 4.004 20 30 EIEDRO N#Cc1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)cc1C(F)(F)F ZINC000111104193 1056746688 /nfs/dbraw/zinc/74/66/88/1056746688.db2.gz NCHMDYPBLKIIKY-MRXNPFEDSA-N 1 0 349.356 4.419 20 30 EIEDRO N#Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000111218314 1056774263 /nfs/dbraw/zinc/77/42/63/1056774263.db2.gz DEMHMVOLWJHBAK-QGZVFWFLSA-N 1 0 345.368 4.263 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c(F)c1 ZINC000111261498 1056780073 /nfs/dbraw/zinc/78/00/73/1056780073.db2.gz HFSKOHFPAOFXGC-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO C=CC[N@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)CC1CCCCC1 ZINC000741786813 1058371708 /nfs/dbraw/zinc/37/17/08/1058371708.db2.gz FJGAMXFHXLXOOH-IBGZPJMESA-N 1 0 328.456 4.080 20 30 EIEDRO COc1ccc(C[NH2+]CC(C)(C)c2cccc(Cl)c2)cc1C#N ZINC000742368812 1058578862 /nfs/dbraw/zinc/57/88/62/1058578862.db2.gz OYXZAWGYSHZYDZ-UHFFFAOYSA-N 1 0 328.843 4.288 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc(C)c(C)cc2O)cc(OC)c1OC ZINC000742370485 1058594901 /nfs/dbraw/zinc/59/49/01/1058594901.db2.gz WTHNAPHMOIFQSA-UHFFFAOYSA-N 1 0 341.451 4.045 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](OC)c2ccc(Cl)cc2)cc1 ZINC000742376895 1058601492 /nfs/dbraw/zinc/60/14/92/1058601492.db2.gz CWXSWEJOTRFCRS-FQEVSTJZSA-N 1 0 343.854 4.219 20 30 EIEDRO CO[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(Cl)cc1 ZINC000742378016 1058602705 /nfs/dbraw/zinc/60/27/05/1058602705.db2.gz TTYPYEXZHXLUIS-LIRRHRJNSA-N 1 0 344.842 4.108 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)cc1C#N ZINC000742715568 1058756111 /nfs/dbraw/zinc/75/61/11/1058756111.db2.gz SZJHREJMQYFFFV-IBGZPJMESA-N 1 0 326.415 4.063 20 30 EIEDRO CCCCCCCC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000742948960 1058820941 /nfs/dbraw/zinc/82/09/41/1058820941.db2.gz IFQYRAQOKSQCTD-HXUWFJFHSA-N 1 0 330.516 4.327 20 30 EIEDRO CCCCCC[C@H](C)NN=C1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000743450170 1058998118 /nfs/dbraw/zinc/99/81/18/1058998118.db2.gz HDKXASDZBQPPQB-MSOLQXFVSA-N 1 0 330.520 4.228 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccncc2)cc1 ZINC000766487108 1060392662 /nfs/dbraw/zinc/39/26/62/1060392662.db2.gz CQGUZABCVFHKMV-CVEARBPZSA-N 1 0 330.859 4.495 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CSCCS2)cc1 ZINC000766535109 1060507574 /nfs/dbraw/zinc/50/75/74/1060507574.db2.gz MDMXGBUAQUEXKJ-BBRMVZONSA-N 1 0 343.945 4.317 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000766537902 1060514829 /nfs/dbraw/zinc/51/48/29/1060514829.db2.gz NGLBDBKYFJGLKW-ZOBUZTSGSA-N 1 0 334.891 4.094 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000766537901 1060515411 /nfs/dbraw/zinc/51/54/11/1060515411.db2.gz NGLBDBKYFJGLKW-YQQAZPJKSA-N 1 0 334.891 4.094 20 30 EIEDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ccc(CS)cc1 ZINC001168999279 1060571295 /nfs/dbraw/zinc/57/12/95/1060571295.db2.gz IURPJFXJVMRSJD-UHFFFAOYSA-N 1 0 331.872 4.000 20 30 EIEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC001169003855 1060575779 /nfs/dbraw/zinc/57/57/79/1060575779.db2.gz IPTDCIUHWJXQPL-ZDUSSCGKSA-N 1 0 347.890 4.297 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C(c1ccccc1)c1ccccc1 ZINC001169104164 1060636922 /nfs/dbraw/zinc/63/69/22/1060636922.db2.gz ZTRQGZUJNWGSJB-GHTZIAJQSA-N 1 0 348.490 4.241 20 30 EIEDRO CC1(C)C[C@@H](Nc2cc(Cl)nc3[nH]cc(C#N)c32)C[C@@](C)(C[NH3+])C1 ZINC001169145110 1060662844 /nfs/dbraw/zinc/66/28/44/1060662844.db2.gz SAOFSWLXCWBYDT-KZULUSFZSA-N 1 0 345.878 4.044 20 30 EIEDRO CC1(C)C[C@@H](Nc2ncc(C#N)c3ccsc32)C[C@](C)(C[NH3+])C1 ZINC001169146683 1060666069 /nfs/dbraw/zinc/66/60/69/1060666069.db2.gz RTSIFMRATGYFSN-ACJLOTCBSA-N 1 0 328.485 4.124 20 30 EIEDRO CC1(C)CCCC[C@H]1[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001169554257 1060855056 /nfs/dbraw/zinc/85/50/56/1060855056.db2.gz IRTJULFRYKUKEX-MRXNPFEDSA-N 1 0 325.374 4.495 20 30 EIEDRO N#CCC1(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC001169604902 1060868753 /nfs/dbraw/zinc/86/87/53/1060868753.db2.gz PNKTUNRKXJGPAD-OAHLLOKOSA-N 1 0 337.236 4.323 20 30 EIEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)C1 ZINC001169667744 1060892521 /nfs/dbraw/zinc/89/25/21/1060892521.db2.gz WGINWUSVGYVMBR-FQEVSTJZSA-N 1 0 347.462 4.190 20 30 EIEDRO C[NH+](C)CCC(C)(C)Nc1c(Cl)nc(Cl)c(C#N)c1Cl ZINC001169716736 1060915976 /nfs/dbraw/zinc/91/59/76/1060915976.db2.gz VJXCXRBXRHKQKN-UHFFFAOYSA-N 1 0 335.666 4.056 20 30 EIEDRO N#CC12CCC(Nc3cccc4c3C3(C=C4)CC[NH2+]CC3)(CC1)CC2 ZINC001169750761 1060928967 /nfs/dbraw/zinc/92/89/67/1060928967.db2.gz KJMNEPMROYNNMF-UHFFFAOYSA-N 1 0 333.479 4.363 20 30 EIEDRO COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000766900787 1061049021 /nfs/dbraw/zinc/04/90/21/1061049021.db2.gz FAYKBZDNJRINDM-UHFFFAOYSA-N 1 0 336.435 4.217 20 30 EIEDRO CCC1(CC)C[N@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000766998256 1061084068 /nfs/dbraw/zinc/08/40/68/1061084068.db2.gz JXHMURDJLLPWBR-UHFFFAOYSA-N 1 0 338.904 4.350 20 30 EIEDRO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2sccc2C#N)C(C)C)cc1 ZINC000067445822 215146644 /nfs/dbraw/zinc/14/66/44/215146644.db2.gz OXBOMJTZFNDZQR-SFHVURJKSA-N 1 0 341.480 4.108 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccccc2OC)cc1OC ZINC000013720667 258017120 /nfs/dbraw/zinc/01/71/20/258017120.db2.gz PJBRZNAAXBXPDO-UHFFFAOYSA-N 1 0 347.842 4.212 20 30 EIEDRO C[N+](C)(C1CCCC1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000182056294 717157880 /nfs/dbraw/zinc/15/78/80/717157880.db2.gz AKYGRTDTEXQXFT-MRXNPFEDSA-N 1 0 342.290 4.118 20 30 EIEDRO C=CCC1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCCC1 ZINC000449861960 1032084404 /nfs/dbraw/zinc/08/44/04/1032084404.db2.gz UHOGPSSFHQFFGK-MOPGFXCFSA-N 1 0 332.532 4.236 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000872139747 1054411408 /nfs/dbraw/zinc/41/14/08/1054411408.db2.gz PCIWYTCEKSADNM-MPKXVKKWSA-N 1 0 339.302 4.138 20 30 EIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000729685221 1032159111 /nfs/dbraw/zinc/15/91/11/1032159111.db2.gz YPOYFUHLJANOGY-QRWLVFNGSA-N 1 0 336.435 4.153 20 30 EIEDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2C)cc1OCCCC#N ZINC000237202038 1032226774 /nfs/dbraw/zinc/22/67/74/1032226774.db2.gz BSZLQSVKTUMXGH-SJLPKXTDSA-N 1 0 330.472 4.294 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCN(c2nnc(C)s2)CC1)c1ccccc1 ZINC000360002592 1032230046 /nfs/dbraw/zinc/23/00/46/1032230046.db2.gz YKHYPDQQQJWLLD-SFHVURJKSA-N 1 0 342.512 4.112 20 30 EIEDRO CCN(CC)c1ncc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000508621243 1032230441 /nfs/dbraw/zinc/23/04/41/1032230441.db2.gz SPOWYUTTYJQJCO-HNNXBMFYSA-N 1 0 342.512 4.444 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](c2ccccc2)c2ccncc2)cc1 ZINC000237608064 1032234358 /nfs/dbraw/zinc/23/43/58/1032234358.db2.gz AHJLZTCDHNFIGR-VGOFRKELSA-N 1 0 343.430 4.252 20 30 EIEDRO CCN(Cc1nc(-c2ccccc2C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340635 1032249582 /nfs/dbraw/zinc/24/95/82/1032249582.db2.gz AYHZVJXCEFZEOV-INIZCTEOSA-N 1 0 346.434 4.500 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245407585 1032254952 /nfs/dbraw/zinc/25/49/52/1032254952.db2.gz BTAGYGKRGPKYEX-HZPDHXFCSA-N 1 0 341.282 4.213 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245407584 1032255649 /nfs/dbraw/zinc/25/56/49/1032255649.db2.gz BTAGYGKRGPKYEX-CVEARBPZSA-N 1 0 341.282 4.213 20 30 EIEDRO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccccc2C)no1 ZINC001211975738 1032268028 /nfs/dbraw/zinc/26/80/28/1032268028.db2.gz OPYGKHBNGYDZHF-WMZOPIPTSA-N 1 0 343.471 4.123 20 30 EIEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cccc(C#N)c1 ZINC000532857346 1032352901 /nfs/dbraw/zinc/35/29/01/1032352901.db2.gz DINVDUYRMXAZSU-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(C2CC2)cc1 ZINC000419357526 1032365586 /nfs/dbraw/zinc/36/55/86/1032365586.db2.gz PJYBPVUDFNUBCU-QGZVFWFLSA-N 1 0 347.462 4.161 20 30 EIEDRO Cn1cc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)cc1C#N ZINC000190810999 1032404157 /nfs/dbraw/zinc/40/41/57/1032404157.db2.gz RHUMAXHSCIIRPK-JOCHJYFZSA-N 1 0 329.447 4.360 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)c1 ZINC000450358332 1032454292 /nfs/dbraw/zinc/45/42/92/1032454292.db2.gz RTOQUWRDCZZPTG-MRXNPFEDSA-N 1 0 334.410 4.227 20 30 EIEDRO C=CCC1(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CCCCC1 ZINC000450514292 1032539016 /nfs/dbraw/zinc/53/90/16/1032539016.db2.gz CUVWGHHKRXKSNE-MSOLQXFVSA-N 1 0 332.532 4.282 20 30 EIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CC(C)(C)C)c1C#N ZINC000533278156 1032582415 /nfs/dbraw/zinc/58/24/15/1032582415.db2.gz DXZVJLWXRAGWPI-UHFFFAOYSA-N 1 0 344.503 4.008 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000180948112 1032632255 /nfs/dbraw/zinc/63/22/55/1032632255.db2.gz QVEIQBWKKIJNIA-CZUORRHYSA-N 1 0 326.278 4.471 20 30 EIEDRO Cc1ccc(Br)cc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000450672364 1032646645 /nfs/dbraw/zinc/64/66/45/1032646645.db2.gz KQRYWUCNEXXVNA-UHFFFAOYSA-N 1 0 341.252 4.408 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C12CCCCC2 ZINC000236879786 1032689571 /nfs/dbraw/zinc/68/95/71/1032689571.db2.gz FJPIKOPSRPZXGM-PWIZWCRZSA-N 1 0 342.483 4.195 20 30 EIEDRO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000533446301 1032777023 /nfs/dbraw/zinc/77/70/23/1032777023.db2.gz RKSRASLCTZDKHI-XIKOKIGWSA-N 1 0 332.806 4.217 20 30 EIEDRO CCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000339414971 1018856369 /nfs/dbraw/zinc/85/63/69/1018856369.db2.gz KQRZWZLYTLQCMS-UHFFFAOYSA-N 1 0 336.435 4.130 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1sccc1Br ZINC000562471351 1018867789 /nfs/dbraw/zinc/86/77/89/1018867789.db2.gz JPJRJXZTIGQOKW-LOWVWBTDSA-N 1 0 330.291 4.142 20 30 EIEDRO CC(C)(C)C1CC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000339463419 1018948445 /nfs/dbraw/zinc/94/84/45/1018948445.db2.gz DUEUDGMGMJZRGB-UHFFFAOYSA-N 1 0 336.483 4.378 20 30 EIEDRO C=CCC(CC=C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510074324 1019071872 /nfs/dbraw/zinc/07/18/72/1019071872.db2.gz UWWQJXVIGUSOER-AZUAARDMSA-N 1 0 340.511 4.172 20 30 EIEDRO C=CC[N@@H+](CCCc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000610213005 1019363621 /nfs/dbraw/zinc/36/36/21/1019363621.db2.gz WSSGMVPWVYZNKA-UHFFFAOYSA-N 1 0 340.423 4.224 20 30 EIEDRO CC(C)c1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCCCC#N ZINC000236630370 1032823214 /nfs/dbraw/zinc/82/32/14/1032823214.db2.gz PXQLUCSXZMWRSP-UHFFFAOYSA-N 1 0 330.863 4.433 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430235371 1019551705 /nfs/dbraw/zinc/55/17/05/1019551705.db2.gz DELKUOPTASSFHK-CJNGLKHVSA-N 1 0 342.252 4.052 20 30 EIEDRO CC(C)(O)c1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000274808423 1019716901 /nfs/dbraw/zinc/71/69/01/1019716901.db2.gz XFRQYAYPYBEPFI-UHFFFAOYSA-N 1 0 348.490 4.408 20 30 EIEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2c2ccccc2Cl)c1 ZINC001167084036 1019743281 /nfs/dbraw/zinc/74/32/81/1019743281.db2.gz JXHPHIPCSNNBHY-LJQANCHMSA-N 1 0 326.827 4.428 20 30 EIEDRO CC[N@H+](CCCc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001208860259 1019754578 /nfs/dbraw/zinc/75/45/78/1019754578.db2.gz IOKWQBLLMKDSQI-GOSISDBHSA-N 1 0 336.479 4.453 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000150892872 1032853434 /nfs/dbraw/zinc/85/34/34/1032853434.db2.gz IYCSSNQMPMRPHV-HNNXBMFYSA-N 1 0 337.389 4.032 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)Cc2cccs2)cc1OCCCC#N ZINC000237263510 1032854484 /nfs/dbraw/zinc/85/44/84/1032854484.db2.gz VANQFTZWXLKTIO-HNNXBMFYSA-N 1 0 344.480 4.160 20 30 EIEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000179963560 1019995227 /nfs/dbraw/zinc/99/52/27/1019995227.db2.gz CYUADJPDNAYENL-UHFFFAOYSA-N 1 0 326.362 4.143 20 30 EIEDRO C=CCCC[NH+]1CCC2(COc3ccc(C(F)(F)F)cc32)CC1 ZINC001209163253 1020076254 /nfs/dbraw/zinc/07/62/54/1020076254.db2.gz ZPZBGLRWYKMXOA-UHFFFAOYSA-N 1 0 325.374 4.398 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(C)(C)c1ccccc1 ZINC000237607295 1032873513 /nfs/dbraw/zinc/87/35/13/1032873513.db2.gz MZKKYPCLFBDVBH-SFHVURJKSA-N 1 0 335.495 4.492 20 30 EIEDRO C=CCCCCC[N@@H+]1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001209432848 1020326842 /nfs/dbraw/zinc/32/68/42/1020326842.db2.gz KWXKHPKLLWHCGW-SFHVURJKSA-N 1 0 327.472 4.245 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000043303456 1020364279 /nfs/dbraw/zinc/36/42/79/1020364279.db2.gz HYZFPCOFEAJVLT-JKSUJKDBSA-N 1 0 343.430 4.389 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc2ccccc21 ZINC000043303454 1020366067 /nfs/dbraw/zinc/36/60/67/1020366067.db2.gz HYZFPCOFEAJVLT-CVEARBPZSA-N 1 0 343.430 4.389 20 30 EIEDRO C#CC[N@@H+](C[C@@H](C)COCc1ccccc1)[C@H]1CCc2ccccc21 ZINC001167178903 1020485949 /nfs/dbraw/zinc/48/59/49/1020485949.db2.gz OQRCHKJRTAYKEX-XXBNENTESA-N 1 0 333.475 4.462 20 30 EIEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001167251123 1020671069 /nfs/dbraw/zinc/67/10/69/1020671069.db2.gz ARRFWATWNCEOSI-FGZHOGPDSA-N 1 0 332.447 4.467 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](C)CC2)ccc1Cl ZINC001167259307 1020711801 /nfs/dbraw/zinc/71/18/01/1020711801.db2.gz PLNJUXYGELKHOP-OAHLLOKOSA-N 1 0 347.890 4.017 20 30 EIEDRO C[N@H+](CCC1CCCCC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC001167274133 1020755249 /nfs/dbraw/zinc/75/52/49/1020755249.db2.gz YYMZNQHQRURUSS-UHFFFAOYSA-N 1 0 333.863 4.052 20 30 EIEDRO COc1ccccc1/C=C/C[NH2+]CCSCc1ccccc1C#N ZINC000608836403 1020807205 /nfs/dbraw/zinc/80/72/05/1020807205.db2.gz CQBIWCQGXGFBNH-UXBLZVDNSA-N 1 0 338.476 4.103 20 30 EIEDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCOCCC#N)cc2)c1 ZINC000579929691 1020845854 /nfs/dbraw/zinc/84/58/54/1020845854.db2.gz VDGATKBDACWFBI-GOSISDBHSA-N 1 0 338.451 4.155 20 30 EIEDRO CCOC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000023622557 1020855396 /nfs/dbraw/zinc/85/53/96/1020855396.db2.gz STTFBOKJIPXTRL-UHFFFAOYSA-N 1 0 348.446 4.000 20 30 EIEDRO C=CCOc1cccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c1 ZINC000512501321 1032935511 /nfs/dbraw/zinc/93/55/11/1032935511.db2.gz HRFATJVYOFDZJI-UHFFFAOYSA-N 1 0 340.442 4.281 20 30 EIEDRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176979454 1020943470 /nfs/dbraw/zinc/94/34/70/1020943470.db2.gz GHOFCFKNSZMCJS-QFBILLFUSA-N 1 0 326.465 4.186 20 30 EIEDRO Cc1sc(NC(=O)CN(C)[C@H](C)c2ccc(F)cc2)c(C#N)c1C ZINC000177239273 1020960328 /nfs/dbraw/zinc/96/03/28/1020960328.db2.gz PHRFMJOSYCRDRZ-GFCCVEGCSA-N 1 0 345.443 4.007 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cc2ccccc2o1 ZINC000177564034 1020986078 /nfs/dbraw/zinc/98/60/78/1020986078.db2.gz IXYZGUKJXYGFGV-GFCCVEGCSA-N 1 0 339.420 4.045 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1 ZINC000340431067 1021013386 /nfs/dbraw/zinc/01/33/86/1021013386.db2.gz JIUDSEAPTJAOGI-GOSISDBHSA-N 1 0 340.496 4.137 20 30 EIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1-n1ccnn1 ZINC000340446381 1021042204 /nfs/dbraw/zinc/04/22/04/1021042204.db2.gz NSGFDXVAYZUBKG-YLJYHZDGSA-N 1 0 345.450 4.353 20 30 EIEDRO N#CCCC[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000340448389 1021044504 /nfs/dbraw/zinc/04/45/04/1021044504.db2.gz SFSWSXSYNYUTRB-QFIPXVFZSA-N 1 0 348.494 4.071 20 30 EIEDRO CO[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000579044119 1021082266 /nfs/dbraw/zinc/08/22/66/1021082266.db2.gz RYBIPRYXKVBMPJ-QGZVFWFLSA-N 1 0 334.341 4.054 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000580020153 1021149628 /nfs/dbraw/zinc/14/96/28/1021149628.db2.gz DSMIDFWGJKIIPH-QGZVFWFLSA-N 1 0 345.368 4.263 20 30 EIEDRO C=CC[C@H](CC)[NH2+][C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000500823946 1032958161 /nfs/dbraw/zinc/95/81/61/1032958161.db2.gz ANZMZYUDSHTHEF-FXAWDEMLSA-N 1 0 338.451 4.319 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000548944709 1021179568 /nfs/dbraw/zinc/17/95/68/1021179568.db2.gz IALAABIYODXFBV-LPHOPBHVSA-N 1 0 343.515 4.031 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OCCCC#N ZINC000610344897 1021340604 /nfs/dbraw/zinc/34/06/04/1021340604.db2.gz LAHQMIASZHIRFB-INIZCTEOSA-N 1 0 349.434 4.100 20 30 EIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610345873 1021345033 /nfs/dbraw/zinc/34/50/33/1021345033.db2.gz BCVQXTWKISGXIC-MSOLQXFVSA-N 1 0 349.478 4.035 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000180027926 1021368083 /nfs/dbraw/zinc/36/80/83/1021368083.db2.gz XILZHDMBIOZEJT-OAQYLSRUSA-N 1 0 342.446 4.126 20 30 EIEDRO CCO[C@H](CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C1CCCC1 ZINC000177583529 1021418928 /nfs/dbraw/zinc/41/89/28/1021418928.db2.gz CYRFOKOUBUQCJA-OXJNMPFZSA-N 1 0 330.472 4.052 20 30 EIEDRO CCCc1noc(-c2cccc(C[NH2+][C@@H](C)c3cccc(C#N)c3)c2)n1 ZINC000376167454 1021642885 /nfs/dbraw/zinc/64/28/85/1021642885.db2.gz QZVGNSRPFFFPHS-HNNXBMFYSA-N 1 0 346.434 4.412 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)O1 ZINC000376167981 1021648911 /nfs/dbraw/zinc/64/89/11/1021648911.db2.gz SFWFRZVOEGSZRO-NCOADZHNSA-N 1 0 338.373 4.035 20 30 EIEDRO C[C@H]1CC(=O)C=C(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)C1 ZINC001210776038 1021666747 /nfs/dbraw/zinc/66/67/47/1021666747.db2.gz LCUBKRMZKOJDIF-IERDGZPVSA-N 1 0 338.495 4.325 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)C2CC2)cc1 ZINC000580019473 1021692756 /nfs/dbraw/zinc/69/27/56/1021692756.db2.gz BRBPPBAOBOZBOF-UHFFFAOYSA-N 1 0 346.352 4.447 20 30 EIEDRO COc1cc(C[NH2+]C2c3ccccc3-c3ccccc32)ccc1C#N ZINC000580060022 1021710017 /nfs/dbraw/zinc/71/00/17/1021710017.db2.gz MAQIOMRIWSDBCJ-UHFFFAOYSA-N 1 0 326.399 4.426 20 30 EIEDRO CCCCCCCC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000155626679 1021725436 /nfs/dbraw/zinc/72/54/36/1021725436.db2.gz MYPYMJOCGKDJBG-QGZVFWFLSA-N 1 0 331.504 4.084 20 30 EIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000580120986 1021742951 /nfs/dbraw/zinc/74/29/51/1021742951.db2.gz NYIBBMJPRIQVJV-HNNXBMFYSA-N 1 0 328.843 4.421 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000582479367 1021948460 /nfs/dbraw/zinc/94/84/60/1021948460.db2.gz UZUUAKJKNSNLCL-SJLPKXTDSA-N 1 0 330.353 4.298 20 30 EIEDRO C=CC[N@@H+](CCCS(=O)(=O)c1ccc(C)cc1)CC1CCCCC1 ZINC001167391720 1021956344 /nfs/dbraw/zinc/95/63/44/1021956344.db2.gz MAXJMQKTGALKSX-UHFFFAOYSA-N 1 0 349.540 4.227 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000613409467 1021971143 /nfs/dbraw/zinc/97/11/43/1021971143.db2.gz ZXDKRJPKLCXWCX-MRXNPFEDSA-N 1 0 338.455 4.093 20 30 EIEDRO CCCC[N@H+](C)CC1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000613413718 1021979041 /nfs/dbraw/zinc/97/90/41/1021979041.db2.gz BJMFBBPHECJHEH-UHFFFAOYSA-N 1 0 342.531 4.199 20 30 EIEDRO C[NH+](C)Cc1cc(CNc2nc(C(C)(C)C)ccc2C#N)ccc1F ZINC000613426898 1022000387 /nfs/dbraw/zinc/00/03/87/1022000387.db2.gz SJIJUMISKSTZSW-UHFFFAOYSA-N 1 0 340.446 4.064 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000180170024 1022096418 /nfs/dbraw/zinc/09/64/18/1022096418.db2.gz MDDADLSRANAINR-YLJYHZDGSA-N 1 0 334.467 4.113 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000414207915 1022161183 /nfs/dbraw/zinc/16/11/83/1022161183.db2.gz HYDHKGAHYMTMMU-PWSUYJOCSA-N 1 0 327.653 4.274 20 30 EIEDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1c1ccccc1 ZINC000134258067 1022172626 /nfs/dbraw/zinc/17/26/26/1022172626.db2.gz SGGWSTLEQGKZDJ-LJQANCHMSA-N 1 0 347.462 4.012 20 30 EIEDRO C=CCC[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000415900397 1022190006 /nfs/dbraw/zinc/19/00/06/1022190006.db2.gz SRWRPVVDNTUEEQ-FQEVSTJZSA-N 1 0 335.451 4.161 20 30 EIEDRO C=CCC[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000415900399 1022190915 /nfs/dbraw/zinc/19/09/15/1022190915.db2.gz SRWRPVVDNTUEEQ-HXUWFJFHSA-N 1 0 335.451 4.161 20 30 EIEDRO CC(C)(C#N)CCC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000610447542 1022231046 /nfs/dbraw/zinc/23/10/46/1022231046.db2.gz LKQNSUSXUWECKP-QWRGUYRKSA-N 1 0 330.316 4.379 20 30 EIEDRO COc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC(F)F ZINC000188046797 1022424056 /nfs/dbraw/zinc/42/40/56/1022424056.db2.gz VUVHAGQJJRYXQE-CYBMUJFWSA-N 1 0 346.377 4.361 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414294869 1022425194 /nfs/dbraw/zinc/42/51/94/1022425194.db2.gz FCYDGNVCMBLXRX-GOSISDBHSA-N 1 0 340.433 4.180 20 30 EIEDRO CCCCCCCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000275990158 1022562961 /nfs/dbraw/zinc/56/29/61/1022562961.db2.gz OTNYWHFXZHDFSC-FQEVSTJZSA-N 1 0 345.531 4.113 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000472954078 1022618598 /nfs/dbraw/zinc/61/85/98/1022618598.db2.gz POQOEVIMKKWVMC-DOTOQJQBSA-N 1 0 330.497 4.438 20 30 EIEDRO Cc1cc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc(C)c1F ZINC001143381729 1022651941 /nfs/dbraw/zinc/65/19/41/1022651941.db2.gz MHXZVRNYNIRCHS-UHFFFAOYSA-N 1 0 338.426 4.358 20 30 EIEDRO C[NH+](C)[C@@H](CC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000416246008 1022656485 /nfs/dbraw/zinc/65/64/85/1022656485.db2.gz ZBYXHOFHDPXRSZ-RTWAWAEBSA-N 1 0 349.478 4.231 20 30 EIEDRO Cc1c(Cl)cnc(N2CCC(CCC[NH+]3CCCC3)CC2)c1C#N ZINC000541277354 1022659429 /nfs/dbraw/zinc/65/94/29/1022659429.db2.gz FTYHLKHOSDXHIL-UHFFFAOYSA-N 1 0 346.906 4.008 20 30 EIEDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001167439516 1022720940 /nfs/dbraw/zinc/72/09/40/1022720940.db2.gz YOZCCVLLWUQCPM-MRRJBJDNSA-N 1 0 333.273 4.474 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](C)Sc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181831813 1022726282 /nfs/dbraw/zinc/72/62/82/1022726282.db2.gz AJAKMNAPNPNHAU-JKSUJKDBSA-N 1 0 326.465 4.420 20 30 EIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000580945288 1022732385 /nfs/dbraw/zinc/73/23/85/1022732385.db2.gz ZSANIMAIEWQZAB-UHFFFAOYSA-N 1 0 349.459 4.395 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)s1 ZINC000180620723 1022752869 /nfs/dbraw/zinc/75/28/69/1022752869.db2.gz SRXYCCRLAWDOIW-WMLDXEAASA-N 1 0 330.453 4.081 20 30 EIEDRO Cc1cc(C#N)cc(C)c1CN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001167443161 1022803660 /nfs/dbraw/zinc/80/36/60/1022803660.db2.gz NWZAMWCSLIUKKR-HXUWFJFHSA-N 1 0 347.506 4.272 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(-c2cncnc2)cc1 ZINC000378449556 1022825558 /nfs/dbraw/zinc/82/55/58/1022825558.db2.gz GEVRDJLXGGICCM-CVEARBPZSA-N 1 0 328.419 4.427 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)c(C#N)c1C ZINC000126201454 1022850850 /nfs/dbraw/zinc/85/08/50/1022850850.db2.gz BFVSALASFWSSAK-NEPJUHHUSA-N 1 0 345.830 4.099 20 30 EIEDRO CC(C)c1ccc(OCC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000236682008 1022889403 /nfs/dbraw/zinc/88/94/03/1022889403.db2.gz LABZRIQNJABLHY-QGZVFWFLSA-N 1 0 338.451 4.269 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181299657 1022917693 /nfs/dbraw/zinc/91/76/93/1022917693.db2.gz YFVBCPWPNBUXJU-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(OC)c(C#N)c2)s1 ZINC000135097617 1023080533 /nfs/dbraw/zinc/08/05/33/1023080533.db2.gz LCYCLCUQJRELDX-ZDUSSCGKSA-N 1 0 329.469 4.087 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)cc1 ZINC000120271342 1023157824 /nfs/dbraw/zinc/15/78/24/1023157824.db2.gz YWYFWCKQYSMKPW-MRXNPFEDSA-N 1 0 345.830 4.101 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1)C(C)C ZINC000075277027 1023224936 /nfs/dbraw/zinc/22/49/36/1023224936.db2.gz YDMYPAIVHIPOFJ-KRWDZBQOSA-N 1 0 349.478 4.280 20 30 EIEDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CS1 ZINC000414498320 1023244938 /nfs/dbraw/zinc/24/49/38/1023244938.db2.gz IDURYCPXXTXSHA-HNAYVOBHSA-N 1 0 338.476 4.121 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC001143483551 1023284731 /nfs/dbraw/zinc/28/47/31/1023284731.db2.gz GNHHJVNMXSNTEQ-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO COC(=O)c1csc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417361156 1023286845 /nfs/dbraw/zinc/28/68/45/1023286845.db2.gz IPJLQOQETUFAHV-SJCJKPOMSA-N 1 0 340.448 4.135 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000417363424 1023287979 /nfs/dbraw/zinc/28/79/79/1023287979.db2.gz KLUVUZDLAMMVKO-SFTDATJTSA-N 1 0 348.446 4.463 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659816345 1023291530 /nfs/dbraw/zinc/29/15/30/1023291530.db2.gz QMXCXFVEZSNPPA-INIZCTEOSA-N 1 0 334.529 4.021 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)cc1OC ZINC000500419670 1023315929 /nfs/dbraw/zinc/31/59/29/1023315929.db2.gz CCJAQVTUZDEUNS-HNNXBMFYSA-N 1 0 325.399 4.175 20 30 EIEDRO CN(C)C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000581518572 1023323463 /nfs/dbraw/zinc/32/34/63/1023323463.db2.gz IWXUYVQSZZOAIB-VQTJNVASSA-N 1 0 339.870 4.091 20 30 EIEDRO COc1ccc([C@@H](CCC#N)[NH2+]Cc2ccccc2-n2cccn2)cc1 ZINC000377080312 1023364897 /nfs/dbraw/zinc/36/48/97/1023364897.db2.gz UJVSCOUZQKWEFL-HXUWFJFHSA-N 1 0 346.434 4.016 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)Cc1nc(-c2ccccc2)no1)c1ccc(C#N)cc1 ZINC000377075783 1023366351 /nfs/dbraw/zinc/36/63/51/1023366351.db2.gz CVIKEAYZQUAEHI-DNVCBOLYSA-N 1 0 346.434 4.280 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341221236 1023394394 /nfs/dbraw/zinc/39/43/94/1023394394.db2.gz UIQQPBBFLOZUFA-FXAWDEMLSA-N 1 0 335.451 4.063 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000276373701 1023396547 /nfs/dbraw/zinc/39/65/47/1023396547.db2.gz DNYFPVAJPYVMAZ-OALUTQOASA-N 1 0 341.499 4.287 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)c1 ZINC000415025316 1023396908 /nfs/dbraw/zinc/39/69/08/1023396908.db2.gz PTHUGHQGMWMNTR-IBGZPJMESA-N 1 0 338.451 4.226 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)cc1 ZINC000415021685 1023398560 /nfs/dbraw/zinc/39/85/60/1023398560.db2.gz HRKRFLMEIVEOME-LJQANCHMSA-N 1 0 338.451 4.226 20 30 EIEDRO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)c1ccc(C#N)cc1 ZINC000549174217 1023425924 /nfs/dbraw/zinc/42/59/24/1023425924.db2.gz PWNQKNHIAOZKPR-KRWDZBQOSA-N 1 0 349.478 4.036 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)c1 ZINC000040227497 1023432661 /nfs/dbraw/zinc/43/26/61/1023432661.db2.gz KPVPQZXVBWVNNK-QGZVFWFLSA-N 1 0 327.225 4.098 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCC1 ZINC000053436496 1023474830 /nfs/dbraw/zinc/47/48/30/1023474830.db2.gz VZSXUQHDZIUREK-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(F)cc1 ZINC001167715897 1023495318 /nfs/dbraw/zinc/49/53/18/1023495318.db2.gz FTXPEBVNRJJYRO-LJQANCHMSA-N 1 0 326.415 4.453 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2COCc3ccccc32)ccc1OC ZINC000418095619 1023530460 /nfs/dbraw/zinc/53/04/60/1023530460.db2.gz GYYRAMXDAJIVSI-LJQANCHMSA-N 1 0 339.435 4.011 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000581662829 1023545083 /nfs/dbraw/zinc/54/50/83/1023545083.db2.gz YYYQRAIKQXBXLX-CQSZACIVSA-N 1 0 335.373 4.160 20 30 EIEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000418140138 1023560997 /nfs/dbraw/zinc/56/09/97/1023560997.db2.gz FJWHCZHUNRLUBU-FQEVSTJZSA-N 1 0 336.483 4.294 20 30 EIEDRO C=CCC[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccco1 ZINC000276503893 1023610448 /nfs/dbraw/zinc/61/04/48/1023610448.db2.gz XQJIIERRXOEREK-FXAWDEMLSA-N 1 0 339.483 4.497 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(O)cc(Cl)c2)c1 ZINC000892973146 1023619740 /nfs/dbraw/zinc/61/97/40/1023619740.db2.gz NLLOQISLWTWDAZ-QGZVFWFLSA-N 1 0 330.815 4.016 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)ccc2F)c1 ZINC000119221957 1023658706 /nfs/dbraw/zinc/65/87/06/1023658706.db2.gz UTKHXHBGYSVRSK-INIZCTEOSA-N 1 0 332.806 4.450 20 30 EIEDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cccc(CC#N)c3)cc2)CC1 ZINC000053619197 1023680643 /nfs/dbraw/zinc/68/06/43/1023680643.db2.gz ZSYBDVYVPDVOTF-UHFFFAOYSA-N 1 0 347.462 4.237 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415577100 1023701123 /nfs/dbraw/zinc/70/11/23/1023701123.db2.gz GXFABKMMSQJLGH-QGZVFWFLSA-N 1 0 329.488 4.192 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000728711466 1023744361 /nfs/dbraw/zinc/74/43/61/1023744361.db2.gz ALQMWOQIHZLZGA-CYBMUJFWSA-N 1 0 334.341 4.286 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1cc(C(C)=O)ccc1C#N)c1ccccc1 ZINC000541577600 1023750361 /nfs/dbraw/zinc/75/03/61/1023750361.db2.gz DHWCVTQHVWIUAB-NRFANRHFSA-N 1 0 335.451 4.256 20 30 EIEDRO COc1ccccc1C(C)(C)C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728712126 1023756407 /nfs/dbraw/zinc/75/64/07/1023756407.db2.gz VAMGFZJARGCZMA-INIZCTEOSA-N 1 0 338.451 4.053 20 30 EIEDRO Cc1[nH]c2ccc(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)cc2c1C ZINC000728712191 1023758076 /nfs/dbraw/zinc/75/80/76/1023758076.db2.gz YHKQVNDKWAPKTL-CQSZACIVSA-N 1 0 333.435 4.365 20 30 EIEDRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728712022 1023761624 /nfs/dbraw/zinc/76/16/24/1023761624.db2.gz SVOADTDGOOGWPD-CABCVRRESA-N 1 0 328.843 4.352 20 30 EIEDRO CC(C)CC[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(Cl)cc1 ZINC000341456505 1023785393 /nfs/dbraw/zinc/78/53/93/1023785393.db2.gz BSJZDYNSHISQOP-SFHVURJKSA-N 1 0 349.906 4.169 20 30 EIEDRO Cc1nsc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c1C#N ZINC000341538867 1023839728 /nfs/dbraw/zinc/83/97/28/1023839728.db2.gz XLKNYGWTIIURCI-CQSZACIVSA-N 1 0 340.496 4.167 20 30 EIEDRO N#Cc1ccccc1OCC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000341575024 1023882835 /nfs/dbraw/zinc/88/28/35/1023882835.db2.gz PZHNHBGTVSBBFL-MRXNPFEDSA-N 1 0 334.341 4.220 20 30 EIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C)c(C#N)c1)CCC2 ZINC001167767597 1023885017 /nfs/dbraw/zinc/88/50/17/1023885017.db2.gz YBMOZHWWMTWMBE-QGZVFWFLSA-N 1 0 325.481 4.395 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000175990463 1023892079 /nfs/dbraw/zinc/89/20/79/1023892079.db2.gz ARZUUGAKPKGGSI-CYBMUJFWSA-N 1 0 330.378 4.281 20 30 EIEDRO C[N@H+](CCNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C1CCCCC1 ZINC000328865324 1023895005 /nfs/dbraw/zinc/89/50/05/1023895005.db2.gz BQDGRDQISLGWIT-INIZCTEOSA-N 1 0 347.434 4.122 20 30 EIEDRO N#Cc1cccc(OCC[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000341599071 1023922068 /nfs/dbraw/zinc/92/20/68/1023922068.db2.gz SUIBQYIBAJWLMH-KRWDZBQOSA-N 1 0 334.341 4.220 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000581973112 1023962106 /nfs/dbraw/zinc/96/21/06/1023962106.db2.gz YAOYOGDAMKNPHI-PXAZEXFGSA-N 1 0 343.298 4.130 20 30 EIEDRO Cc1cc(CN2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cnc1F ZINC000891770713 1023967307 /nfs/dbraw/zinc/96/73/07/1023967307.db2.gz MQIWMNNDTGHQHJ-PHIMTYICSA-N 1 0 344.274 4.092 20 30 EIEDRO N#CCC1(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000430718443 1023979180 /nfs/dbraw/zinc/97/91/80/1023979180.db2.gz CQYIPPKLOAGOGL-CYBMUJFWSA-N 1 0 337.286 4.269 20 30 EIEDRO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430743171 1024000290 /nfs/dbraw/zinc/00/02/90/1024000290.db2.gz JNXRJROEZOMUHX-AWEZNQCLSA-N 1 0 325.481 4.387 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)C1 ZINC000651784248 1024018434 /nfs/dbraw/zinc/01/84/34/1024018434.db2.gz HXHNUUULFXDQGY-LZWOXQAQSA-N 1 0 327.428 4.141 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000651790269 1024022688 /nfs/dbraw/zinc/02/26/88/1024022688.db2.gz POTRMAPGQAGGEF-XNGJBWTFSA-N 1 0 330.438 4.126 20 30 EIEDRO C[NH+](C)Cc1ccc(NCc2ccc(C(C)(C)C#N)cc2)c(F)c1 ZINC000594507407 1024093143 /nfs/dbraw/zinc/09/31/43/1024093143.db2.gz MACTXORDYGNQTB-UHFFFAOYSA-N 1 0 325.431 4.301 20 30 EIEDRO C=CCC[C@@H](C)[NH2+][C@H](CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000341647625 1024111255 /nfs/dbraw/zinc/11/12/55/1024111255.db2.gz VZRFFFUQZPQJOE-IEBWSBKVSA-N 1 0 344.499 4.083 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(-n2cccn2)c1 ZINC000510626895 1024114001 /nfs/dbraw/zinc/11/40/01/1024114001.db2.gz AXAWDDQDGVMGMU-UHFFFAOYSA-N 1 0 333.435 4.069 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000651672814 1024143706 /nfs/dbraw/zinc/14/37/06/1024143706.db2.gz LUXUKWXGDFWXCY-ZTFGCOKTSA-N 1 0 329.875 4.497 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)C1 ZINC000651679962 1024184318 /nfs/dbraw/zinc/18/43/18/1024184318.db2.gz TYNLHYQHNJYCPQ-CLCXKQKWSA-N 1 0 327.472 4.366 20 30 EIEDRO C=C(C)CN1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000510714888 1024300818 /nfs/dbraw/zinc/30/08/18/1024300818.db2.gz HBDAZIUJJRMHKU-UHFFFAOYSA-N 1 0 334.507 4.449 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652151490 1024335009 /nfs/dbraw/zinc/33/50/09/1024335009.db2.gz UMTTZKRUHZMMOS-OAQYLSRUSA-N 1 0 327.516 4.333 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccccn1 ZINC000066905093 1024389664 /nfs/dbraw/zinc/38/96/64/1024389664.db2.gz WKJMGVMELNOPMZ-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO CC(C)(C)c1cccc(CN2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC001167784007 1024597232 /nfs/dbraw/zinc/59/72/32/1024597232.db2.gz DHXVJYNFDQAGKA-JOCHJYFZSA-N 1 0 347.506 4.367 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1)c1cccc(C#N)c1 ZINC000178401729 1024664916 /nfs/dbraw/zinc/66/49/16/1024664916.db2.gz CMYBVGUSDNKYBM-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000510932930 1024850762 /nfs/dbraw/zinc/85/07/62/1024850762.db2.gz BYCRQHIVPFPFEI-UHFFFAOYSA-N 1 0 348.874 4.013 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000662083029 1024851304 /nfs/dbraw/zinc/85/13/04/1024851304.db2.gz ZGDUFULEBVQBJH-GASCZTMLSA-N 1 0 349.356 4.438 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000662084217 1024852510 /nfs/dbraw/zinc/85/25/10/1024852510.db2.gz ORDNJBOHIGSBJI-IYBDPMFKSA-N 1 0 329.831 4.116 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc(Br)ccc2[nH]1 ZINC000662089733 1024855621 /nfs/dbraw/zinc/85/56/21/1024855621.db2.gz DMTMQXVVYZJWRY-BETUJISGSA-N 1 0 332.245 4.008 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510944690 1024859366 /nfs/dbraw/zinc/85/93/66/1024859366.db2.gz PIZWSIMBUOKOAC-QWQCLYJRSA-N 1 0 333.273 4.356 20 30 EIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000510962765 1024867533 /nfs/dbraw/zinc/86/75/33/1024867533.db2.gz SNJDXMOMYHWMCR-BBATYDOGSA-N 1 0 328.362 4.183 20 30 EIEDRO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188473063 1024981740 /nfs/dbraw/zinc/98/17/40/1024981740.db2.gz BBLDTCZMEKFABW-SLYNCCJLSA-N 1 0 328.500 4.100 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(-c2ccccc2F)s1 ZINC000610812697 1024998076 /nfs/dbraw/zinc/99/80/76/1024998076.db2.gz JQEQAGALTLEJPS-CQSZACIVSA-N 1 0 343.471 4.193 20 30 EIEDRO CCCCCc1ccc([C@@H](CC)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000610812622 1025004026 /nfs/dbraw/zinc/00/40/26/1025004026.db2.gz DXHWRXBLNVUIRT-OAQYLSRUSA-N 1 0 327.516 4.448 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000341949759 1025007910 /nfs/dbraw/zinc/00/79/10/1025007910.db2.gz WQWBQSLVXSCPTE-HXUWFJFHSA-N 1 0 343.492 4.148 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)cc1 ZINC000091071060 1025013334 /nfs/dbraw/zinc/01/33/34/1025013334.db2.gz IYPXEYQQFPUNMF-LJQANCHMSA-N 1 0 333.378 4.007 20 30 EIEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]C1CCN(CC#N)CC1 ZINC000610812967 1025032176 /nfs/dbraw/zinc/03/21/76/1025032176.db2.gz QVDDNALOLIDGCP-SFHVURJKSA-N 1 0 349.906 4.013 20 30 EIEDRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829674 1025053028 /nfs/dbraw/zinc/05/30/28/1025053028.db2.gz DNQDBDRCGLJDII-KBPBESRZSA-N 1 0 341.842 4.280 20 30 EIEDRO Cc1ccccc1C[N@H+](Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610992314 1025236406 /nfs/dbraw/zinc/23/64/06/1025236406.db2.gz UOZMQPUYWDPTSX-UHFFFAOYSA-N 1 0 327.431 4.464 20 30 EIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCCN1Cc1ccnc(C#N)c1 ZINC000610994818 1025242016 /nfs/dbraw/zinc/24/20/16/1025242016.db2.gz NFWGEICKPHJBEM-HXUWFJFHSA-N 1 0 345.450 4.221 20 30 EIEDRO N#Cc1cc(C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)ccn1 ZINC000610993108 1025242599 /nfs/dbraw/zinc/24/25/99/1025242599.db2.gz DLTMYWBBQOHKDE-UHFFFAOYSA-N 1 0 325.843 4.061 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)ccn1 ZINC000610995142 1025243594 /nfs/dbraw/zinc/24/35/94/1025243594.db2.gz OWMMPTYPWJNLJP-UHFFFAOYSA-N 1 0 343.883 4.363 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000511009605 1025458018 /nfs/dbraw/zinc/45/80/18/1025458018.db2.gz HBXOKOSBCJYWPC-JQFCIGGWSA-N 1 0 336.273 4.007 20 30 EIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(C#N)s2)C[C@H]1OCc1ccccc1 ZINC000472038517 1025470268 /nfs/dbraw/zinc/47/02/68/1025470268.db2.gz PUWOYROJCXVWLB-QZTJIDSGSA-N 1 0 326.465 4.093 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N(C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2c1 ZINC000569097546 1025569613 /nfs/dbraw/zinc/56/96/13/1025569613.db2.gz PDQKUOPAEGRJNC-DFNIBXOVSA-N 1 0 348.494 4.291 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2ccc3c[nH]nc3c2)CC1 ZINC000585765389 1025827401 /nfs/dbraw/zinc/82/74/01/1025827401.db2.gz AQVOBHOMLMKDDY-UHFFFAOYSA-N 1 0 344.462 4.099 20 30 EIEDRO C[C@@H]1Cc2cc(-c3ccc(C[NH2+]Cc4ccc(C#N)o4)cc3)ccc2O1 ZINC000120779212 1025851274 /nfs/dbraw/zinc/85/12/74/1025851274.db2.gz IDSBBQGCGFRBEH-OAHLLOKOSA-N 1 0 344.414 4.431 20 30 EIEDRO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000438128285 1025887908 /nfs/dbraw/zinc/88/79/08/1025887908.db2.gz OCSIQYNPYZMSPH-ZRBLBEILSA-N 1 0 346.474 4.442 20 30 EIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(C#N)c1F ZINC000539238503 1025891125 /nfs/dbraw/zinc/89/11/25/1025891125.db2.gz KXYDAFLQAAEGJR-SFHVURJKSA-N 1 0 347.821 4.083 20 30 EIEDRO Cc1cc(-c2noc([C@H]3CCC[NH2+][C@@H]3c3ccccc3)n2)ccc1C#N ZINC001211849631 1025896899 /nfs/dbraw/zinc/89/68/99/1025896899.db2.gz UAFHFZBPGKKYSN-RBUKOAKNSA-N 1 0 344.418 4.125 20 30 EIEDRO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1CC=CCC1 ZINC000344071210 1025957996 /nfs/dbraw/zinc/95/79/96/1025957996.db2.gz RSFUZLNOEUEQPI-KRWDZBQOSA-N 1 0 335.451 4.026 20 30 EIEDRO Cc1ccc(C[NH+](C)C)cc1NCc1cccc(OCCCC#N)c1 ZINC000151999308 1026004929 /nfs/dbraw/zinc/00/49/29/1026004929.db2.gz KFBBWPNMUVOVNQ-UHFFFAOYSA-N 1 0 337.467 4.351 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)ccc1OCc1ccccc1 ZINC000472142479 1026017026 /nfs/dbraw/zinc/01/70/26/1026017026.db2.gz PHOPOHSJHPSRIJ-IEBWSBKVSA-N 1 0 336.435 4.056 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000344165335 1026081863 /nfs/dbraw/zinc/08/18/63/1026081863.db2.gz QOGSHHQPFHVYAI-ZDUSSCGKSA-N 1 0 332.494 4.209 20 30 EIEDRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000344222226 1026156563 /nfs/dbraw/zinc/15/65/63/1026156563.db2.gz SPULLCCSTXXDHA-INIZCTEOSA-N 1 0 337.467 4.106 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC001167549751 1026192710 /nfs/dbraw/zinc/19/27/10/1026192710.db2.gz PVHFHSZZVZTNMX-UHFFFAOYSA-N 1 0 342.483 4.382 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1Cl ZINC000551547803 1026211046 /nfs/dbraw/zinc/21/10/46/1026211046.db2.gz WUDQGQBGNWHXPW-IBGZPJMESA-N 1 0 338.842 4.346 20 30 EIEDRO COc1cccc(C[C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000344315320 1026240867 /nfs/dbraw/zinc/24/08/67/1026240867.db2.gz WMDLZDBDICVKAP-QGZVFWFLSA-N 1 0 338.451 4.099 20 30 EIEDRO CC(C)([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(Cl)cc1 ZINC000551717560 1026246737 /nfs/dbraw/zinc/24/67/37/1026246737.db2.gz SOMFBXHNQFAVLR-UHFFFAOYSA-N 1 0 347.871 4.127 20 30 EIEDRO C#CCCCC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000843693422 1026266258 /nfs/dbraw/zinc/26/62/58/1026266258.db2.gz KTSKWZNJDNQRGQ-UHFFFAOYSA-N 1 0 330.497 4.007 20 30 EIEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c(C)cc(C#N)cc1C)CCC2 ZINC001167859444 1026293114 /nfs/dbraw/zinc/29/31/14/1026293114.db2.gz ICIBNJDXHVODHU-SFHVURJKSA-N 1 0 325.481 4.449 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccc(F)c(F)c1 ZINC000893668146 1026310637 /nfs/dbraw/zinc/31/06/37/1026310637.db2.gz IJUMEYIBNPKXPO-KRWDZBQOSA-N 1 0 349.377 4.095 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000550227397 1026381455 /nfs/dbraw/zinc/38/14/55/1026381455.db2.gz RFBJYEIJUUHJIW-LSDHHAIUSA-N 1 0 334.398 4.295 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OC)cc1OCc1cccnc1 ZINC000550223932 1026387613 /nfs/dbraw/zinc/38/76/13/1026387613.db2.gz RURFDZGVRQEABV-UHFFFAOYSA-N 1 0 340.467 4.361 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1Cl ZINC000608064164 1026428387 /nfs/dbraw/zinc/42/83/87/1026428387.db2.gz XQEAPKQRKBCNBC-BMGDILEWSA-N 1 0 335.875 4.198 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000582329279 1026456841 /nfs/dbraw/zinc/45/68/41/1026456841.db2.gz ITAVKIZOEITPIJ-FQEVSTJZSA-N 1 0 345.490 4.125 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(Br)cs1)c1ccc(C#N)c(F)c1 ZINC000540706731 1026466777 /nfs/dbraw/zinc/46/67/77/1026466777.db2.gz GLGQDSBAMGNAOR-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO C[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587612 1026474436 /nfs/dbraw/zinc/47/44/36/1026474436.db2.gz KMMXLCBQIPHZAN-FOIQADDNSA-N 1 0 348.425 4.065 20 30 EIEDRO CCC1(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CCCC1 ZINC000344666530 1026523452 /nfs/dbraw/zinc/52/34/52/1026523452.db2.gz FNLZIQGNRNFXHR-UHFFFAOYSA-N 1 0 330.472 4.438 20 30 EIEDRO Cc1ccc(Oc2ccccc2CNC(=[NH2+])Nc2ccccn2)cc1 ZINC000178570026 1026693475 /nfs/dbraw/zinc/69/34/75/1026693475.db2.gz RQSZJNQLFMBVHT-UHFFFAOYSA-N 1 0 332.407 4.109 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCc1ccncc1 ZINC000507191543 1026697940 /nfs/dbraw/zinc/69/79/40/1026697940.db2.gz IFHFVAUZFDRDFM-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1cccc(C#N)c1 ZINC000507212751 1026703283 /nfs/dbraw/zinc/70/32/83/1026703283.db2.gz OVVIWZGKUVQVDH-UHFFFAOYSA-N 1 0 347.374 4.358 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(c2ccccc2OC)CC1)c1ccc(C#N)cc1 ZINC000375711699 1026717178 /nfs/dbraw/zinc/71/71/78/1026717178.db2.gz NZRNUZVBEROBFR-HXUWFJFHSA-N 1 0 349.478 4.277 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000572428516 1026787458 /nfs/dbraw/zinc/78/74/58/1026787458.db2.gz AVKNIIFOVPQFSP-QFBILLFUSA-N 1 0 340.467 4.039 20 30 EIEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000512360119 1026803481 /nfs/dbraw/zinc/80/34/81/1026803481.db2.gz SIAPEVLQJQJPAU-LEWJYISDSA-N 1 0 344.462 4.364 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000507509380 1026821237 /nfs/dbraw/zinc/82/12/37/1026821237.db2.gz KYQMHDUQCFCYID-CVEARBPZSA-N 1 0 332.513 4.038 20 30 EIEDRO Cc1ccc2[nH]c(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)nc2c1 ZINC000507612630 1026853743 /nfs/dbraw/zinc/85/37/43/1026853743.db2.gz GIYXPCZQJPXDQM-UHFFFAOYSA-N 1 0 344.462 4.365 20 30 EIEDRO CO[C@]1(C)C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1(C)C ZINC000507612367 1026853942 /nfs/dbraw/zinc/85/39/42/1026853942.db2.gz BANMCFQPFHSUQM-WNKNEZEQSA-N 1 0 326.484 4.184 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1F ZINC000507643880 1026863836 /nfs/dbraw/zinc/86/38/36/1026863836.db2.gz JGQKLZBJBSIKIS-UHFFFAOYSA-N 1 0 338.426 4.328 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2ccc3c(c2)CCO3)CC1 ZINC000507642112 1026864047 /nfs/dbraw/zinc/86/40/47/1026864047.db2.gz AWZNEKMONUCPLG-UHFFFAOYSA-N 1 0 346.474 4.158 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1cnn(CC2CCC2)c1 ZINC000934562841 1026880611 /nfs/dbraw/zinc/88/06/11/1026880611.db2.gz SPFFKJTZNIYSSY-INIZCTEOSA-N 1 0 336.483 4.335 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000342725770 1026898363 /nfs/dbraw/zinc/89/83/63/1026898363.db2.gz KTCBALJBZORLMK-UHFFFAOYSA-N 1 0 330.435 4.009 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187977829 1026912089 /nfs/dbraw/zinc/91/20/89/1026912089.db2.gz HIGVKLLARIUCKM-LJQANCHMSA-N 1 0 346.540 4.252 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000153019332 1026927280 /nfs/dbraw/zinc/92/72/80/1026927280.db2.gz FAQZGEPYJFUSIZ-OAHLLOKOSA-N 1 0 334.529 4.108 20 30 EIEDRO COc1cccc(C[N@H+](CCCC(C)(C)C#N)C2CCC(O)CC2)c1 ZINC000472243581 1026957316 /nfs/dbraw/zinc/95/73/16/1026957316.db2.gz SCVQENJZFNKLFF-UHFFFAOYSA-N 1 0 344.499 4.131 20 30 EIEDRO CC[N@H+](CCC1(C#N)CCCCC1)[C@@H](COC)Cc1ccccc1 ZINC001167601322 1026967704 /nfs/dbraw/zinc/96/77/04/1026967704.db2.gz BDUYWKSCHIYVFO-HXUWFJFHSA-N 1 0 328.500 4.430 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000519735171 1026970963 /nfs/dbraw/zinc/97/09/63/1026970963.db2.gz PYCPUWRJRCHJJU-UHFFFAOYSA-N 1 0 341.336 4.228 20 30 EIEDRO CC1(C#N)CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000519749956 1026976309 /nfs/dbraw/zinc/97/63/09/1026976309.db2.gz ZAVYSYMSBNTGCM-UHFFFAOYSA-N 1 0 349.482 4.186 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCc2cccnc2)cc1)c1ccc(C#N)cc1 ZINC000075755595 1027064990 /nfs/dbraw/zinc/06/49/90/1027064990.db2.gz HFMFHJIZNYBLNW-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000078338421 1027323540 /nfs/dbraw/zinc/32/35/40/1027323540.db2.gz YRWYFDYHFZEDDO-KBXCAEBGSA-N 1 0 329.444 4.254 20 30 EIEDRO C=CCC1([NH2+]Cc2cc(Br)ccc2Cl)CCOCC1 ZINC000657633447 1027347988 /nfs/dbraw/zinc/34/79/88/1027347988.db2.gz PKONZUNDJPEGNI-UHFFFAOYSA-N 1 0 344.680 4.317 20 30 EIEDRO Cc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1C ZINC000520249328 1027361312 /nfs/dbraw/zinc/36/13/12/1027361312.db2.gz YFOXIUKUDJGHGQ-LJQANCHMSA-N 1 0 337.442 4.073 20 30 EIEDRO C[C@@H](O)C[N@H+](CCCC(C)(C)C#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441259214 1027392127 /nfs/dbraw/zinc/39/21/27/1027392127.db2.gz UOPRGMIUUJAANH-HZPDHXFCSA-N 1 0 336.907 4.284 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000840887705 1027510108 /nfs/dbraw/zinc/51/01/08/1027510108.db2.gz NGAGWYUQYDMZTQ-PXNSSMCTSA-N 1 0 349.478 4.054 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000161520238 1027592094 /nfs/dbraw/zinc/59/20/94/1027592094.db2.gz KDOJDAMCSVVRLH-INIZCTEOSA-N 1 0 341.451 4.257 20 30 EIEDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)cc1OC ZINC000329149759 1027608918 /nfs/dbraw/zinc/60/89/18/1027608918.db2.gz QXHSCDOOVBIOTM-CABCVRRESA-N 1 0 346.471 4.192 20 30 EIEDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCc1nc2ccccc2o1 ZINC000329143715 1027610252 /nfs/dbraw/zinc/61/02/52/1027610252.db2.gz VRWFRVUUHFNXQL-OWCLPIDISA-N 1 0 343.471 4.083 20 30 EIEDRO CCc1nccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000329187005 1027633082 /nfs/dbraw/zinc/63/30/82/1027633082.db2.gz QTXCFXPWLOYAGG-AEFFLSMTSA-N 1 0 340.471 4.068 20 30 EIEDRO N#CC1(NC(=O)C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)CCCCC1 ZINC000329303115 1027715285 /nfs/dbraw/zinc/71/52/85/1027715285.db2.gz XCSGGIAUBPDLTR-LJQANCHMSA-N 1 0 337.467 4.321 20 30 EIEDRO C=CCCC1(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000474901996 1027768705 /nfs/dbraw/zinc/76/87/05/1027768705.db2.gz WSSGRKZLPQPWKW-SFHVURJKSA-N 1 0 340.511 4.424 20 30 EIEDRO C#CCN([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995440 1027769495 /nfs/dbraw/zinc/76/94/95/1027769495.db2.gz FUWLMNRODVBHBD-MXHMCPQYSA-N 1 0 334.507 4.015 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1OCC(C)C ZINC000185770406 1027784634 /nfs/dbraw/zinc/78/46/34/1027784634.db2.gz VVZRREWXHYXICI-XYJFISCASA-N 1 0 330.472 4.463 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474929418 1027798364 /nfs/dbraw/zinc/79/83/64/1027798364.db2.gz JKFYFPXGAAZWOV-SKDRFNHKSA-N 1 0 347.178 4.250 20 30 EIEDRO CC(C)(C)c1nc2cc(NC(=O)C34CCC[NH+]3CCC4)ccc2o1 ZINC000328769803 1027805662 /nfs/dbraw/zinc/80/56/62/1027805662.db2.gz IQEQIMGGHBACBB-UHFFFAOYSA-N 1 0 327.428 4.342 20 30 EIEDRO COc1ccc2occ(C(=O)NC3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000328726340 1027808882 /nfs/dbraw/zinc/80/88/82/1027808882.db2.gz UOLUFPZWJQJMFU-UHFFFAOYSA-N 1 0 342.439 4.153 20 30 EIEDRO O=C(Nc1nc2c(s1)CCCCCC2)c1ccc2c[nH+]cn2c1 ZINC000328854672 1027820877 /nfs/dbraw/zinc/82/08/77/1027820877.db2.gz JPBONTWJEWDHDX-UHFFFAOYSA-N 1 0 326.425 4.086 20 30 EIEDRO CC1=CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000328885203 1027826912 /nfs/dbraw/zinc/82/69/12/1027826912.db2.gz YYKMANYPTXNJNY-UHFFFAOYSA-N 1 0 329.469 4.129 20 30 EIEDRO O=C(Nc1ncn(C2CCCCC2)n1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000329571572 1027858125 /nfs/dbraw/zinc/85/81/25/1027858125.db2.gz QSEDFLGECOXOJP-HNNXBMFYSA-N 1 0 345.491 4.026 20 30 EIEDRO CC1(C)CC(NC(=O)NCc2ccc3sccc3c2)CC(C)(C)[NH2+]1 ZINC000329592950 1027868830 /nfs/dbraw/zinc/86/88/30/1027868830.db2.gz CASVTIFCFQSPGZ-UHFFFAOYSA-N 1 0 345.512 4.214 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCC(=O)N1CCc2ccccc2C1)c1ccccc1 ZINC000444609747 1027888489 /nfs/dbraw/zinc/88/84/89/1027888489.db2.gz NKDMCLRFRLDNLU-JOCHJYFZSA-N 1 0 348.490 4.259 20 30 EIEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cl)c(N)c1Cl ZINC000330954854 1027902204 /nfs/dbraw/zinc/90/22/04/1027902204.db2.gz MMALKLMLAXLMHU-LLVKDONJSA-N 1 0 344.286 4.145 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000444653678 1027922057 /nfs/dbraw/zinc/92/20/57/1027922057.db2.gz MNJFGASZKRXGFU-UHFFFAOYSA-N 1 0 333.907 4.178 20 30 EIEDRO N#CC(CC[NH2+][C@@H]1CCO[C@H]1C1CC1)(c1ccccc1)c1ccccc1 ZINC000444691568 1027979400 /nfs/dbraw/zinc/97/94/00/1027979400.db2.gz AAVVDHJBBVHWBD-YADHBBJMSA-N 1 0 346.474 4.043 20 30 EIEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444705214 1027991453 /nfs/dbraw/zinc/99/14/53/1027991453.db2.gz MKCXNANOGGDDJD-GHTZIAJQSA-N 1 0 334.463 4.043 20 30 EIEDRO C[C@H]1OCC[C@]1(C)[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444705216 1027992376 /nfs/dbraw/zinc/99/23/76/1027992376.db2.gz MKCXNANOGGDDJD-NQIIRXRSSA-N 1 0 334.463 4.043 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1(C)C ZINC000444784024 1028056248 /nfs/dbraw/zinc/05/62/48/1028056248.db2.gz MNTYZUCZEJNYOX-KRWDZBQOSA-N 1 0 346.427 4.028 20 30 EIEDRO C#CCOc1ccc(CN[C@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000154107870 1028097748 /nfs/dbraw/zinc/09/77/48/1028097748.db2.gz ILGJUXMJDTYRMG-JOCHJYFZSA-N 1 0 346.405 4.112 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(OCC2CC2)c(F)c1 ZINC000178795445 1028109738 /nfs/dbraw/zinc/10/97/38/1028109738.db2.gz LFRRRCIVRKMQMN-CYBMUJFWSA-N 1 0 342.389 4.476 20 30 EIEDRO NC(=O)[C@@H]1CCC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000329878644 1028145807 /nfs/dbraw/zinc/14/58/07/1028145807.db2.gz LDEXGQAGIUCPCC-IAGOWNOFSA-N 1 0 349.519 4.473 20 30 EIEDRO Cc1nc2cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)ccc2o1 ZINC000329901477 1028152281 /nfs/dbraw/zinc/15/22/81/1028152281.db2.gz GYTXNELDUONDLC-UHFFFAOYSA-N 1 0 341.455 4.238 20 30 EIEDRO C[C@H]([NH2+]C1(CNC(=O)C2(C)CCC2)CCOCC1)c1ccccc1 ZINC000330245853 1028238456 /nfs/dbraw/zinc/23/84/56/1028238456.db2.gz XZIVXQUNGOQXBE-INIZCTEOSA-N 1 0 330.472 4.033 20 30 EIEDRO COc1ccc2nc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)sc2c1 ZINC000330296269 1028281613 /nfs/dbraw/zinc/28/16/13/1028281613.db2.gz KAWNYTXYHAKJFN-LBPRGKRZSA-N 1 0 333.457 4.157 20 30 EIEDRO COc1cc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)ccc1C#N ZINC000440638563 1028287759 /nfs/dbraw/zinc/28/77/59/1028287759.db2.gz OILFBBVPIJZFSH-CABCVRRESA-N 1 0 326.362 4.025 20 30 EIEDRO COc1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)cc1OCCCC#N ZINC000346331685 1028388551 /nfs/dbraw/zinc/38/85/51/1028388551.db2.gz MAMNTPIEGAEACU-QGZVFWFLSA-N 1 0 328.456 4.166 20 30 EIEDRO N#CC1(CCC[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)CCOCC1 ZINC000281245838 1028473312 /nfs/dbraw/zinc/47/33/12/1028473312.db2.gz GMOMCELANXJSMC-LEWJYISDSA-N 1 0 340.511 4.478 20 30 EIEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281287414 1028506955 /nfs/dbraw/zinc/50/69/55/1028506955.db2.gz IZZOLQWVWPUEDT-HXUWFJFHSA-N 1 0 326.484 4.184 20 30 EIEDRO CC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cc(F)ccc1F ZINC000346551200 1028511508 /nfs/dbraw/zinc/51/15/08/1028511508.db2.gz KDTOZPPDJYSSJB-GFCCVEGCSA-N 1 0 347.274 4.220 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccc(C#N)cc1 ZINC000278215798 1028577352 /nfs/dbraw/zinc/57/73/52/1028577352.db2.gz IHVRSCSYVCZDMT-HXUWFJFHSA-N 1 0 334.467 4.184 20 30 EIEDRO Cc1cc(-c2noc([C@@H]3CC[C@@H](c4ccccc4)C[NH2+]3)n2)ccc1C#N ZINC001211576509 1028581717 /nfs/dbraw/zinc/58/17/17/1028581717.db2.gz GZJJWGJJCLKRDU-MOPGFXCFSA-N 1 0 344.418 4.125 20 30 EIEDRO CCOc1ccc(C[N@H+](Cc2cnc3ccc(C#N)cn23)C(C)C)cc1 ZINC000508530925 1028642761 /nfs/dbraw/zinc/64/27/61/1028642761.db2.gz KCMTUWIKAZSCKH-UHFFFAOYSA-N 1 0 348.450 4.015 20 30 EIEDRO CCN(CCC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1)CC(F)(F)F ZINC000544403358 1028646788 /nfs/dbraw/zinc/64/67/88/1028646788.db2.gz MNGHJVMTTGPKHP-OAHLLOKOSA-N 1 0 341.421 4.215 20 30 EIEDRO C[C@H](NCc1cccc(F)c1C#N)c1ccc(Br)cc1 ZINC000428321892 1028747841 /nfs/dbraw/zinc/74/78/41/1028747841.db2.gz RNIPOEFHQFNYSO-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1C)CCc1ccccc1 ZINC000444048375 1028758937 /nfs/dbraw/zinc/75/89/37/1028758937.db2.gz QEISWTHSQJGLPD-UHFFFAOYSA-N 1 0 340.442 4.193 20 30 EIEDRO C=CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)CCc1ccccc1 ZINC000444052935 1028764585 /nfs/dbraw/zinc/76/45/85/1028764585.db2.gz NFKPYBVBCWVQDC-UHFFFAOYSA-N 1 0 344.405 4.024 20 30 EIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC000444078782 1028839842 /nfs/dbraw/zinc/83/98/42/1028839842.db2.gz PJCVCSNZPQFURT-FQEVSTJZSA-N 1 0 335.451 4.360 20 30 EIEDRO C=CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)s1 ZINC000281946605 1029001501 /nfs/dbraw/zinc/00/15/01/1029001501.db2.gz JGBOELXITXTECF-UHFFFAOYSA-N 1 0 338.904 4.490 20 30 EIEDRO N#Cc1ccc(CNc2[nH+]ccn2Cc2ccccc2Cl)s1 ZINC000508466955 1029064728 /nfs/dbraw/zinc/06/47/28/1029064728.db2.gz OEPAJWKLNSLFNT-UHFFFAOYSA-N 1 0 328.828 4.130 20 30 EIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2cccc(C#N)n2)C1 ZINC000522903039 1029081539 /nfs/dbraw/zinc/08/15/39/1029081539.db2.gz ZQGOXBZCKKKBBE-IRXDYDNUSA-N 1 0 334.467 4.043 20 30 EIEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)Cc1ccccc1 ZINC000508554308 1029110275 /nfs/dbraw/zinc/11/02/75/1029110275.db2.gz SXOJBMKDLWQMTG-UHFFFAOYSA-N 1 0 333.435 4.274 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N(CCC)[C@@H](CC)c2ccccc2)CC1 ZINC000522985659 1029148315 /nfs/dbraw/zinc/14/83/15/1029148315.db2.gz DPNOEEOPLPNDFZ-FQEVSTJZSA-N 1 0 343.515 4.210 20 30 EIEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000444317012 1029208299 /nfs/dbraw/zinc/20/82/99/1029208299.db2.gz NNHNRWKPWMCWGO-QGZVFWFLSA-N 1 0 328.456 4.215 20 30 EIEDRO CC(C)(CCC#N)C[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC000896945965 1029231110 /nfs/dbraw/zinc/23/11/10/1029231110.db2.gz KNYBDLNFQTWELF-UHFFFAOYSA-N 1 0 331.529 4.216 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000524799411 1029231202 /nfs/dbraw/zinc/23/12/02/1029231202.db2.gz ANTSWIFWPIIZGH-KRWDZBQOSA-N 1 0 349.544 4.273 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)C1CCCCC1 ZINC000475100760 1029249944 /nfs/dbraw/zinc/24/99/44/1029249944.db2.gz RLJWOPGIZYOJEB-MNNVXMFVSA-N 1 0 327.472 4.202 20 30 EIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1nc(C#N)cs1 ZINC000583900992 1029345267 /nfs/dbraw/zinc/34/52/67/1029345267.db2.gz GGDKHKXBMKLYSB-UHFFFAOYSA-N 1 0 339.386 4.144 20 30 EIEDRO C[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000428447045 1029455671 /nfs/dbraw/zinc/45/56/71/1029455671.db2.gz LFSNABQRZBPGOQ-FXAWDEMLSA-N 1 0 342.389 4.189 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000343565750 1029513288 /nfs/dbraw/zinc/51/32/88/1029513288.db2.gz HPGSWHVWZIHOGY-OAQYLSRUSA-N 1 0 332.447 4.093 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000584024989 1029542493 /nfs/dbraw/zinc/54/24/93/1029542493.db2.gz ITRPBXJTBYBZGI-QUCCMNQESA-N 1 0 328.500 4.007 20 30 EIEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168063951 1029622505 /nfs/dbraw/zinc/62/25/05/1029622505.db2.gz OPYIDOYNYBYBID-RCLSDMTESA-N 1 0 325.500 4.054 20 30 EIEDRO N#CCC1CCN(c2ccnc3c(Br)ccc(F)c23)CC1 ZINC000584125096 1029632276 /nfs/dbraw/zinc/63/22/76/1029632276.db2.gz CXTJBAUXAQKUME-UHFFFAOYSA-N 1 0 348.219 4.266 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000657832430 1029652397 /nfs/dbraw/zinc/65/23/97/1029652397.db2.gz CWUVMRGZBOMPSX-PMACEKPBSA-N 1 0 326.484 4.034 20 30 EIEDRO Cc1ccc2[nH+]ccc(N3CCC(C#N)(c4ccccn4)CC3)c2c1 ZINC000548821747 1029655666 /nfs/dbraw/zinc/65/56/66/1029655666.db2.gz MZXSLCJOWHPLAA-UHFFFAOYSA-N 1 0 328.419 4.000 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000657832035 1029658707 /nfs/dbraw/zinc/65/87/07/1029658707.db2.gz GCBYLQZBNKWZJZ-XLIONFOSSA-N 1 0 326.484 4.034 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000657832036 1029659041 /nfs/dbraw/zinc/65/90/41/1029659041.db2.gz GCBYLQZBNKWZJZ-YLJYHZDGSA-N 1 0 326.484 4.034 20 30 EIEDRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)c1 ZINC000135106366 1029711863 /nfs/dbraw/zinc/71/18/63/1029711863.db2.gz QNNZDDAUPLREQE-OAHLLOKOSA-N 1 0 338.451 4.356 20 30 EIEDRO C=CC[NH+]1CCC(Nc2ccnc3c(Br)cccc23)CC1 ZINC000301385428 1029721322 /nfs/dbraw/zinc/72/13/22/1029721322.db2.gz CCUOHRJNAYYXCV-UHFFFAOYSA-N 1 0 346.272 4.060 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000584350380 1029746759 /nfs/dbraw/zinc/74/67/59/1029746759.db2.gz GQOHIVFSGFJDIM-SFHVURJKSA-N 1 0 341.252 4.292 20 30 EIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cc1 ZINC000343755048 1029754924 /nfs/dbraw/zinc/75/49/24/1029754924.db2.gz MFDNNVQJEWVHNI-INIZCTEOSA-N 1 0 330.435 4.098 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000121305663 1029757863 /nfs/dbraw/zinc/75/78/63/1029757863.db2.gz DUNXFAIRHPPLDY-KRWDZBQOSA-N 1 0 347.418 4.088 20 30 EIEDRO Cc1ccccc1[C@H]([NH2+]C1CCN(CC#N)CC1)[C@H]1CCC[C@H](C)C1 ZINC000611864420 1029875785 /nfs/dbraw/zinc/87/57/85/1029875785.db2.gz WGRVOYAMHTZXFG-LQBOVUBWSA-N 1 0 339.527 4.440 20 30 EIEDRO Cc1ccccc1[C@H](C)N(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441232209 1029930986 /nfs/dbraw/zinc/93/09/86/1029930986.db2.gz LJJVXWAHKHOBII-HNNXBMFYSA-N 1 0 332.407 4.110 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[NH2+][C@H]3CCC[C@@H]3c3ccccc3)o2)c1 ZINC000525837826 1030059323 /nfs/dbraw/zinc/05/93/23/1030059323.db2.gz ZEIDZVVRXGNXCU-MOPGFXCFSA-N 1 0 344.418 4.034 20 30 EIEDRO COc1ccccc1-c1csc([C@H]2CCC[N@H+](CCCC#N)C2)n1 ZINC000447394880 1030062332 /nfs/dbraw/zinc/06/23/32/1030062332.db2.gz HHYGTGXCMZPDGF-HNNXBMFYSA-N 1 0 341.480 4.302 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447522045 1030117799 /nfs/dbraw/zinc/11/77/99/1030117799.db2.gz XRRWHYPRRDAURT-QFIPXVFZSA-N 1 0 333.479 4.264 20 30 EIEDRO CC[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(C#N)cc1 ZINC000447530568 1030124106 /nfs/dbraw/zinc/12/41/06/1030124106.db2.gz OOGMORJVVPVUKF-HXUWFJFHSA-N 1 0 335.476 4.404 20 30 EIEDRO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCc2ccccc21 ZINC000508601255 1030133422 /nfs/dbraw/zinc/13/34/22/1030133422.db2.gz USWWBQWVPWKWIQ-FQEVSTJZSA-N 1 0 330.435 4.105 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000447544755 1030147409 /nfs/dbraw/zinc/14/74/09/1030147409.db2.gz POZDFVMLSUNXIF-HTAPYJJXSA-N 1 0 333.479 4.046 20 30 EIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]2CCO[C@@H]21 ZINC000447582203 1030181318 /nfs/dbraw/zinc/18/13/18/1030181318.db2.gz YOONVFHDSXSXJP-HBMCJLEFSA-N 1 0 332.447 4.128 20 30 EIEDRO CC[C@@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000447588427 1030193957 /nfs/dbraw/zinc/19/39/57/1030193957.db2.gz UKHYBCJDPDLTNP-MRXNPFEDSA-N 1 0 349.356 4.092 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(C)o1 ZINC000447593557 1030195609 /nfs/dbraw/zinc/19/56/09/1030195609.db2.gz SXZZFMIDDQUIJQ-RWBZWWBESA-N 1 0 339.439 4.204 20 30 EIEDRO CC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc2ccccc2c1 ZINC000508613467 1030214402 /nfs/dbraw/zinc/21/44/02/1030214402.db2.gz FETFUBZDFBDHEZ-UHFFFAOYSA-N 1 0 340.430 4.381 20 30 EIEDRO N#Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1C(F)(F)F ZINC000166784196 1030253749 /nfs/dbraw/zinc/25/37/49/1030253749.db2.gz GJERGUFULYEBIL-HNNXBMFYSA-N 1 0 337.389 4.032 20 30 EIEDRO CCc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)s1 ZINC000526083063 1030262668 /nfs/dbraw/zinc/26/26/68/1030262668.db2.gz IVUKFODZXMBCAQ-UHFFFAOYSA-N 1 0 341.480 4.057 20 30 EIEDRO C=CCCC[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000447795924 1030330670 /nfs/dbraw/zinc/33/06/70/1030330670.db2.gz QYIGFUGEBLEYFA-FQEVSTJZSA-N 1 0 338.451 4.239 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccccc1 ZINC000756994996 1030334788 /nfs/dbraw/zinc/33/47/88/1030334788.db2.gz BBXIERGGOOCPNL-QGZVFWFLSA-N 1 0 332.216 4.442 20 30 EIEDRO C[C@H](NC(=[NH2+])NCC1CC(F)(F)C1)c1ccc(Cl)cc1Cl ZINC000262708085 1030335070 /nfs/dbraw/zinc/33/50/70/1030335070.db2.gz NVTFUWUQPSZQBB-QMMMGPOBSA-N 1 0 336.213 4.004 20 30 EIEDRO N#CC1(CCC[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CCOCC1 ZINC000451301280 1030385507 /nfs/dbraw/zinc/38/55/07/1030385507.db2.gz WLWKTMQKQQALFK-GJZGRUSLSA-N 1 0 332.410 4.188 20 30 EIEDRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000127518219 1030386140 /nfs/dbraw/zinc/38/61/40/1030386140.db2.gz PMDWXVCEHIFLOB-UONOGXRCSA-N 1 0 341.842 4.198 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccncc2OC)cc1Cl ZINC000189544084 1030476306 /nfs/dbraw/zinc/47/63/06/1030476306.db2.gz RWJKRNQMZVHQCR-ZDUSSCGKSA-N 1 0 332.831 4.159 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000451418158 1030479685 /nfs/dbraw/zinc/47/96/85/1030479685.db2.gz MEORTLBNGUXZGY-ZRBLBEILSA-N 1 0 346.474 4.351 20 30 EIEDRO C=CCOc1ccc(CN2CCC[C@@H]2c2csc(C)n2)cc1OC ZINC000189935209 1030523287 /nfs/dbraw/zinc/52/32/87/1030523287.db2.gz ASFNBIDAFWDKIO-QGZVFWFLSA-N 1 0 344.480 4.362 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553232 1030571022 /nfs/dbraw/zinc/57/10/22/1030571022.db2.gz XWMWFRWVZKVICZ-KRWDZBQOSA-N 1 0 329.444 4.494 20 30 EIEDRO CC1(C)CCCC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527349482 1030641167 /nfs/dbraw/zinc/64/11/67/1030641167.db2.gz CIRXREZJBNSLJU-DAWZGUTISA-N 1 0 327.472 4.202 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000658027942 1030772450 /nfs/dbraw/zinc/77/24/50/1030772450.db2.gz ANQPWRMUQFTPQS-KYNGSXCRSA-N 1 0 341.451 4.241 20 30 EIEDRO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191146150 1030779739 /nfs/dbraw/zinc/77/97/39/1030779739.db2.gz FYUGTZRXKSOLQC-GOSISDBHSA-N 1 0 345.874 4.436 20 30 EIEDRO C=CCCn1cc(C[N@@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)nn1 ZINC000653563660 1030784618 /nfs/dbraw/zinc/78/46/18/1030784618.db2.gz XRDKIYFETAKHSO-GJZGRUSLSA-N 1 0 332.879 4.132 20 30 EIEDRO COc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1OCCCC#N ZINC000116361312 1030808294 /nfs/dbraw/zinc/80/82/94/1030808294.db2.gz PTGDJADQSQMQEL-UHFFFAOYSA-N 1 0 338.451 4.019 20 30 EIEDRO CN(C)C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000527810205 1030857034 /nfs/dbraw/zinc/85/70/34/1030857034.db2.gz OUTPRFYTMHDBSY-SFHVURJKSA-N 1 0 348.277 4.258 20 30 EIEDRO C[NH+](C)C[C@@H](NCc1ccccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000527806476 1030865577 /nfs/dbraw/zinc/86/55/77/1030865577.db2.gz FNFLMDIPXUCVRC-GOSISDBHSA-N 1 0 348.277 4.258 20 30 EIEDRO C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527882654 1030894777 /nfs/dbraw/zinc/89/47/77/1030894777.db2.gz QEZLMMIITMIOIF-MRXNPFEDSA-N 1 0 342.446 4.299 20 30 EIEDRO COc1cccc(CC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)c1 ZINC000612123095 1030942261 /nfs/dbraw/zinc/94/22/61/1030942261.db2.gz HHDADHPTGPPRBH-UHFFFAOYSA-N 1 0 334.463 4.216 20 30 EIEDRO C[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc(C#N)cc1F ZINC000527942252 1030957591 /nfs/dbraw/zinc/95/75/91/1030957591.db2.gz JWMWPOIQTWUOHN-RODVOCQOSA-N 1 0 326.802 4.340 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104701063 1031113409 /nfs/dbraw/zinc/11/34/09/1031113409.db2.gz YHFFLTDKJXNUMO-GOSISDBHSA-N 1 0 339.464 4.079 20 30 EIEDRO C[C@@H]([C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)C1CCCCC1 ZINC000531368208 1031147507 /nfs/dbraw/zinc/14/75/07/1031147507.db2.gz IIDQGEQCVRCZHA-JYJNAYRXSA-N 1 0 327.472 4.080 20 30 EIEDRO CCC[N@H+](CC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000532483589 1031217374 /nfs/dbraw/zinc/21/73/74/1031217374.db2.gz DLFDGNWMIDCGRC-UHFFFAOYSA-N 1 0 344.503 4.152 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccsc1 ZINC000532508725 1031229648 /nfs/dbraw/zinc/22/96/48/1031229648.db2.gz CSINLJDGOFCPQL-BBRMVZONSA-N 1 0 329.444 4.078 20 30 EIEDRO CCOc1cccc(/C=N\C[C@@H](c2cccs2)[NH+]2CCCC2)c1O ZINC000255843912 1031256875 /nfs/dbraw/zinc/25/68/75/1031256875.db2.gz LAAUVPLWRWLIJB-SMEDBKPVSA-N 1 0 344.480 4.108 20 30 EIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000364718472 1031393227 /nfs/dbraw/zinc/39/32/27/1031393227.db2.gz ORVNEKMLZZLLIZ-FUHWJXTLSA-N 1 0 341.480 4.367 20 30 EIEDRO CC1(C#N)CCC(Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000449052603 1031404895 /nfs/dbraw/zinc/40/48/95/1031404895.db2.gz DTMYUFTZQQIKRO-UHFFFAOYSA-N 1 0 343.540 4.162 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)ccc1F ZINC000123275302 1031412976 /nfs/dbraw/zinc/41/29/76/1031412976.db2.gz IXJXKLXZANKDMI-UHFFFAOYSA-N 1 0 348.425 4.201 20 30 EIEDRO CCN(CC)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Cc1ccccc1 ZINC000449072741 1031426006 /nfs/dbraw/zinc/42/60/06/1031426006.db2.gz GKHOLTRVSXGOHQ-KBWCOIMZSA-N 1 0 327.516 4.002 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000449096425 1031438342 /nfs/dbraw/zinc/43/83/42/1031438342.db2.gz HMOGOAOXYVBRDV-ARWYELJZSA-N 1 0 333.273 4.498 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2cc(Br)ccc2F)CC1 ZINC000449105530 1031443279 /nfs/dbraw/zinc/44/32/79/1031443279.db2.gz IQTGPOJTSCIOFL-UHFFFAOYSA-N 1 0 339.252 4.193 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000449092219 1031451927 /nfs/dbraw/zinc/45/19/27/1031451927.db2.gz SHNPPSPGLBOQQA-UHFFFAOYSA-N 1 0 335.451 4.223 20 30 EIEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Cc1cccs1 ZINC000375897570 1031462957 /nfs/dbraw/zinc/46/29/57/1031462957.db2.gz JHMFBLHQENOXPW-MRXNPFEDSA-N 1 0 339.508 4.057 20 30 EIEDRO C[C@H](c1ccccc1)N1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449148564 1031481962 /nfs/dbraw/zinc/48/19/62/1031481962.db2.gz KQHHHQCGPCAYRJ-FQVISZRSSA-N 1 0 325.500 4.274 20 30 EIEDRO CCOc1cc(CCC[NH2+]C2CCC(C)(C#N)CC2)ccc1OC ZINC000449163939 1031504957 /nfs/dbraw/zinc/50/49/57/1031504957.db2.gz XILUOBYDGOXHSV-UHFFFAOYSA-N 1 0 330.472 4.089 20 30 EIEDRO Cn1cc([C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccccc2)cn1 ZINC000612422707 1031505285 /nfs/dbraw/zinc/50/52/85/1031505285.db2.gz DETFXXUGNPPZAY-FGZHOGPDSA-N 1 0 342.446 4.048 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000472429489 1031506552 /nfs/dbraw/zinc/50/65/52/1031506552.db2.gz HGCQWTONPSEZON-LJQANCHMSA-N 1 0 335.451 4.286 20 30 EIEDRO N#Cc1cccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000053096457 1031510860 /nfs/dbraw/zinc/51/08/60/1031510860.db2.gz KUDFKQDWGFRXAZ-FQEVSTJZSA-N 1 0 339.870 4.138 20 30 EIEDRO C[C@H](Cc1ccccc1)[NH+]1CCC(Nc2ccc(CC#N)cc2)CC1 ZINC000449236143 1031549508 /nfs/dbraw/zinc/54/95/08/1031549508.db2.gz IUZXXCRDUPFINK-GOSISDBHSA-N 1 0 333.479 4.260 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000179887110 1031551775 /nfs/dbraw/zinc/55/17/75/1031551775.db2.gz AHUSPMDHSWDHKR-SFHVURJKSA-N 1 0 348.475 4.357 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000449228274 1031559067 /nfs/dbraw/zinc/55/90/67/1031559067.db2.gz SVEVMCKMPSTBJL-FVRSWCFKSA-N 1 0 335.854 4.120 20 30 EIEDRO C[C@H](CCCc1cccnc1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000453145670 1031623948 /nfs/dbraw/zinc/62/39/48/1031623948.db2.gz GZIRJWSCZXQOPP-MRXNPFEDSA-N 1 0 346.396 4.453 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449333435 1031629373 /nfs/dbraw/zinc/62/93/73/1031629373.db2.gz VBZUEJMRZYOCNH-UHFFFAOYSA-N 1 0 327.497 4.348 20 30 EIEDRO CC(C)Oc1ccc([C@@H](C[NH2+]C2CCC(C)(C#N)CC2)N(C)C)cc1 ZINC000449333791 1031652468 /nfs/dbraw/zinc/65/24/68/1031652468.db2.gz WAUKYEFTSWNCQJ-VEDCXYSMSA-N 1 0 343.515 4.139 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000236691624 1031673970 /nfs/dbraw/zinc/67/39/70/1031673970.db2.gz IYCVYGVTUJPVRX-UHFFFAOYSA-N 1 0 328.500 4.138 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)ccc1C#N ZINC000449352964 1031674053 /nfs/dbraw/zinc/67/40/53/1031674053.db2.gz XKNUMOLUSKDQNI-SFHVURJKSA-N 1 0 328.362 4.012 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000532654500 1031679288 /nfs/dbraw/zinc/67/92/88/1031679288.db2.gz VARUVOZMZFTIBT-FQEVSTJZSA-N 1 0 348.446 4.098 20 30 EIEDRO CCCCCOc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)ccc1OC ZINC000449445043 1031738628 /nfs/dbraw/zinc/73/86/28/1031738628.db2.gz GQFSJJZNCHGAKU-WMZOPIPTSA-N 1 0 330.472 4.436 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453239490 1031760156 /nfs/dbraw/zinc/76/01/56/1031760156.db2.gz XBVPNLPGVDREHO-ROUUACIJSA-N 1 0 334.891 4.350 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000449441187 1031762069 /nfs/dbraw/zinc/76/20/69/1031762069.db2.gz FTAWJTKAJJLUKO-CGZBRXJRSA-N 1 0 340.389 4.191 20 30 EIEDRO C=CC(C)(C)C[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000449485032 1031794686 /nfs/dbraw/zinc/79/46/86/1031794686.db2.gz KIGLEZJHSLRSAJ-UHFFFAOYSA-N 1 0 332.469 4.033 20 30 EIEDRO CCCCCCCc1ccc(-c2noc([C@@H]3C[C@](C)(O)C[NH2+]3)n2)cc1 ZINC001211934570 1031802874 /nfs/dbraw/zinc/80/28/74/1031802874.db2.gz APKSLULFBRBAIB-PXNSSMCTSA-N 1 0 343.471 4.035 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000453289154 1031809137 /nfs/dbraw/zinc/80/91/37/1031809137.db2.gz IEJQUNLAFFBKRZ-IAAVTCLWSA-N 1 0 332.875 4.102 20 30 EIEDRO C=C(C)CC[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000453328241 1031822235 /nfs/dbraw/zinc/82/22/35/1031822235.db2.gz WRDGCYONIMAOHJ-INIZCTEOSA-N 1 0 326.278 4.473 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000449547096 1031837362 /nfs/dbraw/zinc/83/73/62/1031837362.db2.gz GHDFZMAAQHXMTD-CVEARBPZSA-N 1 0 334.872 4.287 20 30 EIEDRO COCC[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000449552620 1031840863 /nfs/dbraw/zinc/84/08/63/1031840863.db2.gz JNERIQLHQNNWOW-SFHVURJKSA-N 1 0 348.368 4.444 20 30 EIEDRO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1Cl ZINC000453359981 1031855268 /nfs/dbraw/zinc/85/52/68/1031855268.db2.gz MUNYRZOFWMRHGW-LLVKDONJSA-N 1 0 348.805 4.219 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000453349993 1031879056 /nfs/dbraw/zinc/87/90/56/1031879056.db2.gz JTAQXSPXZLHYRU-HOTGVXAUSA-N 1 0 328.481 4.104 20 30 EIEDRO C=CCC1(C[NH2+][C@H](C)CC(=O)Nc2ccccc2OC)CCCC1 ZINC000449605492 1031879476 /nfs/dbraw/zinc/87/94/76/1031879476.db2.gz NMUOIEHVCMQARP-MRXNPFEDSA-N 1 0 330.472 4.138 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000453350924 1031880360 /nfs/dbraw/zinc/88/03/60/1031880360.db2.gz KAKVDXFGXMNIIV-OCCSQVGLSA-N 1 0 333.419 4.319 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000453353308 1031881451 /nfs/dbraw/zinc/88/14/51/1031881451.db2.gz LGBWBPSEJPYXDZ-CZUORRHYSA-N 1 0 346.496 4.105 20 30 EIEDRO C=CCC1(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CCCC1 ZINC000453359061 1031888745 /nfs/dbraw/zinc/88/87/45/1031888745.db2.gz JLLWUMWNHDNTGN-IBGZPJMESA-N 1 0 325.431 4.431 20 30 EIEDRO N#Cc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000531988648 1031896692 /nfs/dbraw/zinc/89/66/92/1031896692.db2.gz XBPNYLHOHRMCCE-XZOQPEGZSA-N 1 0 345.490 4.045 20 30 EIEDRO N#CCc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000449695872 1031932795 /nfs/dbraw/zinc/93/27/95/1031932795.db2.gz JFRZSROXOMEZSP-FRIKZZABSA-N 1 0 331.463 4.360 20 30 EIEDRO N#CCc1cccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000449697234 1031935612 /nfs/dbraw/zinc/93/56/12/1031935612.db2.gz LDDUJAHJDMBALN-CEMLEFRQSA-N 1 0 331.463 4.075 20 30 EIEDRO CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1=CCCC1 ZINC000453404968 1031941334 /nfs/dbraw/zinc/94/13/34/1031941334.db2.gz SFIWQVBECUNKIY-UHFFFAOYSA-N 1 0 337.511 4.249 20 30 EIEDRO C[C@@H](Cc1ccccc1)[NH+]1CCC(Nc2cccc(CC#N)c2)CC1 ZINC000449705288 1031943922 /nfs/dbraw/zinc/94/39/22/1031943922.db2.gz XPHCMFBTLIYKOP-SFHVURJKSA-N 1 0 333.479 4.260 20 30 EIEDRO C=CCC1(C[NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CCCC1 ZINC000453391320 1031954055 /nfs/dbraw/zinc/95/40/55/1031954055.db2.gz YPUFCGKDVNGXAH-QGZVFWFLSA-N 1 0 328.500 4.152 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1csc2ccccc12 ZINC000052806003 1032006576 /nfs/dbraw/zinc/00/65/76/1032006576.db2.gz ZGHUFFIQVXGGIW-UHFFFAOYSA-N 1 0 349.459 4.234 20 30 EIEDRO COc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC000262644811 1032047876 /nfs/dbraw/zinc/04/78/76/1032047876.db2.gz NGGVDLHNAXDYIC-NNUKFRKNSA-N 1 0 347.821 4.161 20 30 EIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CCO2 ZINC000614160755 1033533763 /nfs/dbraw/zinc/53/37/63/1033533763.db2.gz CWVZIGWAIPTXNN-DJJJIMSYSA-N 1 0 340.398 4.270 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000614160244 1033538216 /nfs/dbraw/zinc/53/82/16/1033538216.db2.gz QRYKETQZMSWONH-UHFFFAOYSA-N 1 0 338.451 4.137 20 30 EIEDRO COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512625906 1033540017 /nfs/dbraw/zinc/54/00/17/1033540017.db2.gz QWMZLYOSMRSRFR-AWEZNQCLSA-N 1 0 326.415 4.334 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000512626602 1033540930 /nfs/dbraw/zinc/54/09/30/1033540930.db2.gz VNJMOUMKGBUHBV-GDBMZVCRSA-N 1 0 341.405 4.014 20 30 EIEDRO C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512629914 1033550045 /nfs/dbraw/zinc/55/00/45/1033550045.db2.gz KNPSZGUTBNSUOP-JKSUJKDBSA-N 1 0 339.458 4.477 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000614168822 1033556310 /nfs/dbraw/zinc/55/63/10/1033556310.db2.gz WGQRZGBFDLBTCH-HXUWFJFHSA-N 1 0 326.484 4.411 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614174147 1033568058 /nfs/dbraw/zinc/56/80/58/1033568058.db2.gz IPANCAOAUXIAPR-LVCYWYKZSA-N 1 0 339.527 4.325 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000512636231 1033577177 /nfs/dbraw/zinc/57/71/77/1033577177.db2.gz KOEWESLLMQOORP-ZBFHGGJFSA-N 1 0 341.405 4.156 20 30 EIEDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512637604 1033580058 /nfs/dbraw/zinc/58/00/58/1033580058.db2.gz XPGSEKHBMPAQED-GJYPPUQNSA-N 1 0 337.442 4.011 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512637192 1033581522 /nfs/dbraw/zinc/58/15/22/1033581522.db2.gz SMJPMMBYUTWENW-BEFAXECRSA-N 1 0 341.430 4.168 20 30 EIEDRO CC(C)[N@H+](CCc1nccs1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614177728 1033589030 /nfs/dbraw/zinc/58/90/30/1033589030.db2.gz WPRFWOVQDMJGRA-UHFFFAOYSA-N 1 0 327.497 4.397 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000614180127 1033594777 /nfs/dbraw/zinc/59/47/77/1033594777.db2.gz YKWAFQHCSFAIDD-AWEZNQCLSA-N 1 0 326.415 4.486 20 30 EIEDRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614179940 1033604341 /nfs/dbraw/zinc/60/43/41/1033604341.db2.gz SMTMHMBHOOZYBZ-HNNXBMFYSA-N 1 0 338.451 4.356 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(C#N)cc1F ZINC000512654513 1033626244 /nfs/dbraw/zinc/62/62/44/1033626244.db2.gz MUQFYVZRUNBWAL-AWEZNQCLSA-N 1 0 348.425 4.162 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512662698 1033636369 /nfs/dbraw/zinc/63/63/69/1033636369.db2.gz ZQYSBABUPMQNCZ-CHWSQXEVSA-N 1 0 328.387 4.126 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512662700 1033637314 /nfs/dbraw/zinc/63/73/14/1033637314.db2.gz ZQYSBABUPMQNCZ-QWHCGFSZSA-N 1 0 328.387 4.126 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c2ccccc2n1 ZINC000512659603 1033645420 /nfs/dbraw/zinc/64/54/20/1033645420.db2.gz ILHQAWOYZROMKL-CYBMUJFWSA-N 1 0 335.382 4.105 20 30 EIEDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512659386 1033645536 /nfs/dbraw/zinc/64/55/36/1033645536.db2.gz GJWBUQJJGCGUMT-AWEZNQCLSA-N 1 0 339.414 4.287 20 30 EIEDRO Cc1nc2ccccc2nc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433019411 1033667750 /nfs/dbraw/zinc/66/77/50/1033667750.db2.gz NRNMXGJSGXBRBN-SFHVURJKSA-N 1 0 330.435 4.463 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1cncn1Cc1ccccc1)c1ccccc1 ZINC000433021761 1033677264 /nfs/dbraw/zinc/67/72/64/1033677264.db2.gz YILXENJMMAMDNY-JOCHJYFZSA-N 1 0 344.462 4.456 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512672487 1033680132 /nfs/dbraw/zinc/68/01/32/1033680132.db2.gz KZJCKDHOVZQNPU-HUUCEWRRSA-N 1 0 326.415 4.378 20 30 EIEDRO CCc1oc(C(=O)OC)cc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433032751 1033702398 /nfs/dbraw/zinc/70/23/98/1033702398.db2.gz BYXZSKWAOYTPHF-KRWDZBQOSA-N 1 0 340.423 4.153 20 30 EIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000542247655 1033794325 /nfs/dbraw/zinc/79/43/25/1033794325.db2.gz FDOMYQLXFHOTMP-FOIQADDNSA-N 1 0 336.435 4.159 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000433082967 1033810676 /nfs/dbraw/zinc/81/06/76/1033810676.db2.gz NAZATGHKRPGWNN-WMZOPIPTSA-N 1 0 337.442 4.265 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000433082965 1033811659 /nfs/dbraw/zinc/81/16/59/1033811659.db2.gz NAZATGHKRPGWNN-FUHWJXTLSA-N 1 0 337.442 4.265 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000429851359 1033872869 /nfs/dbraw/zinc/87/28/69/1033872869.db2.gz QDCTUHSMZPPTIP-QGZVFWFLSA-N 1 0 328.500 4.137 20 30 EIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000411542379 1033976059 /nfs/dbraw/zinc/97/60/59/1033976059.db2.gz PSOIRHLAIWQFMY-SFHVURJKSA-N 1 0 336.483 4.446 20 30 EIEDRO CC(C)C1CCC([N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000433182993 1034007174 /nfs/dbraw/zinc/00/71/74/1034007174.db2.gz QIFBLBHLVPSJFS-UHFFFAOYSA-N 1 0 338.455 4.255 20 30 EIEDRO CCCOc1cccc(C[NH2+]CCSCc2ccccc2C#N)c1 ZINC000512846386 1034067178 /nfs/dbraw/zinc/06/71/78/1034067178.db2.gz OWWGVMUKRMSCFZ-UHFFFAOYSA-N 1 0 340.492 4.370 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000512913897 1034183285 /nfs/dbraw/zinc/18/32/85/1034183285.db2.gz UIXLYLOCSIOKGI-ZWKOTPCHSA-N 1 0 347.384 4.341 20 30 EIEDRO CC[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000573930896 1034306113 /nfs/dbraw/zinc/30/61/13/1034306113.db2.gz CJGZUZAAVZVOFI-NRFANRHFSA-N 1 0 330.435 4.027 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000513040792 1034349950 /nfs/dbraw/zinc/34/99/50/1034349950.db2.gz LCDGRPLCONPYPL-ATZDWAIDSA-N 1 0 326.465 4.061 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c(F)c1 ZINC000513046568 1034364639 /nfs/dbraw/zinc/36/46/39/1034364639.db2.gz MKWTWKPBRAYNTA-RBUKOAKNSA-N 1 0 346.352 4.065 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000664108478 1034426986 /nfs/dbraw/zinc/42/69/86/1034426986.db2.gz DVXBYFMUFHAEPW-QRQLOZEOSA-N 1 0 341.499 4.008 20 30 EIEDRO N#CC[C@H]1CCCN(Cc2cc(Cl)ccc2Br)C1 ZINC000397791541 1034486748 /nfs/dbraw/zinc/48/67/48/1034486748.db2.gz ZPQSJQMIPDVIRB-LLVKDONJSA-N 1 0 327.653 4.228 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000614396660 1034536445 /nfs/dbraw/zinc/53/64/45/1034536445.db2.gz BDTICANZBCKWNS-OAQYLSRUSA-N 1 0 338.426 4.187 20 30 EIEDRO N#CC1(CC[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000584337464 1034542011 /nfs/dbraw/zinc/54/20/11/1034542011.db2.gz OMWSBTVERQKHLS-INIZCTEOSA-N 1 0 340.389 4.193 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)ccc1SC ZINC000151155126 1034824342 /nfs/dbraw/zinc/82/43/42/1034824342.db2.gz XCZLFOVWEUPCKV-LBPRGKRZSA-N 1 0 330.428 4.279 20 30 EIEDRO CCCCCCCCCC[NH2+]C12CC(C(=O)NCC(F)F)(C1)C2 ZINC001279869968 1034955819 /nfs/dbraw/zinc/95/58/19/1034955819.db2.gz SQNIBWAUEVANNU-UHFFFAOYSA-N 1 0 330.463 4.021 20 30 EIEDRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(CC#N)CC2)o1 ZINC000430023860 1035013385 /nfs/dbraw/zinc/01/33/85/1035013385.db2.gz RDQVGHJCILOQOK-UHFFFAOYSA-N 1 0 346.434 4.224 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Br)cn1 ZINC000279999720 1035126755 /nfs/dbraw/zinc/12/67/55/1035126755.db2.gz FWCVCGOVLNWHOT-NWDGAFQWSA-N 1 0 330.229 4.128 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000280536049 1035289297 /nfs/dbraw/zinc/28/92/97/1035289297.db2.gz AKHLWLPAOZBIGJ-WQGACYEGSA-N 1 0 329.362 4.059 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1c(CC)oc2ccccc21 ZINC000501419941 1035441665 /nfs/dbraw/zinc/44/16/65/1035441665.db2.gz HPLVFLVBZILVEN-INIZCTEOSA-N 1 0 340.467 4.016 20 30 EIEDRO C=CCN1CCC([NH2+]C/C(C)=C/c2ccccc2C(F)(F)F)CC1 ZINC000501422186 1035442455 /nfs/dbraw/zinc/44/24/55/1035442455.db2.gz KMTJICCXIAEVTO-FYWRMAATSA-N 1 0 338.417 4.349 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000280764015 1035445466 /nfs/dbraw/zinc/44/54/66/1035445466.db2.gz ZACBLHKRGLWZLN-GYSYKLTISA-N 1 0 330.291 4.142 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cc(F)cc(Cl)c3)CCOCC2)c1 ZINC000594985592 1035512124 /nfs/dbraw/zinc/51/21/24/1035512124.db2.gz ZMIKFMZDZHYTNA-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO Cc1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)ccc1Cl ZINC000594985055 1035512531 /nfs/dbraw/zinc/51/25/31/1035512531.db2.gz UIAZXMKGFNFVMF-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cscc3Cl)CCOCC2)c1 ZINC000594982337 1035515619 /nfs/dbraw/zinc/51/56/19/1035515619.db2.gz DXVWFFQNRWPJDZ-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO Cc1ccc2cc(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)[nH]c2c1 ZINC000594980315 1035515976 /nfs/dbraw/zinc/51/59/76/1035515976.db2.gz PFFZSICIZLDWQH-UHFFFAOYSA-N 1 0 345.446 4.144 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]3c3ccccc3)CC2)cc1 ZINC000594993151 1035518379 /nfs/dbraw/zinc/51/83/79/1035518379.db2.gz AEKXMTRBZJFHSZ-FGZHOGPDSA-N 1 0 331.463 4.063 20 30 EIEDRO N#CC1(CNCc2cccc(OCc3ccccn3)c2)CCCCC1 ZINC000594995819 1035525161 /nfs/dbraw/zinc/52/51/61/1035525161.db2.gz SWIAQWVFPNBEAH-UHFFFAOYSA-N 1 0 335.451 4.224 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055822 1035535190 /nfs/dbraw/zinc/53/51/90/1035535190.db2.gz JYWBSTUBNKKTTH-AWEZNQCLSA-N 1 0 348.475 4.279 20 30 EIEDRO Cn1cc(C[N@H+]2CC=C(C(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490587453 1035536633 /nfs/dbraw/zinc/53/66/33/1035536633.db2.gz IKMUGZUJXSDCSS-UHFFFAOYSA-N 1 0 334.467 4.137 20 30 EIEDRO COc1cccc(OC)c1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000595074689 1035545075 /nfs/dbraw/zinc/54/50/75/1035545075.db2.gz UARLXNKISGDSLS-IBGZPJMESA-N 1 0 336.435 4.133 20 30 EIEDRO C[C@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000595073370 1035556134 /nfs/dbraw/zinc/55/61/34/1035556134.db2.gz WOFMKERYWDMZSA-NEPJUHHUSA-N 1 0 334.341 4.094 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccnc2OC)cc1 ZINC000151169329 1035557126 /nfs/dbraw/zinc/55/71/26/1035557126.db2.gz LYOFRPOIWHLFAY-CQSZACIVSA-N 1 0 332.831 4.072 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)C1 ZINC000595075619 1035588509 /nfs/dbraw/zinc/58/85/09/1035588509.db2.gz AOSIHHDEWVODER-YVLXSGLVSA-N 1 0 337.286 4.019 20 30 EIEDRO N#CC1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000595090145 1035596834 /nfs/dbraw/zinc/59/68/34/1035596834.db2.gz DHKPGBULBQTLBG-APWZRJJASA-N 1 0 330.447 4.357 20 30 EIEDRO COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000595090139 1035600705 /nfs/dbraw/zinc/60/07/05/1035600705.db2.gz DBMIQLKCUSEJNE-NRFANRHFSA-N 1 0 349.478 4.438 20 30 EIEDRO N#CCc1ccc(C[NH2+]Cc2cc(Cl)ccc2OCC2CC2)cc1 ZINC000575045934 1035659999 /nfs/dbraw/zinc/65/99/99/1035659999.db2.gz YIMBUFMBVVGCSJ-UHFFFAOYSA-N 1 0 340.854 4.485 20 30 EIEDRO CC(C)(C#N)c1ccccc1CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595511144 1035691859 /nfs/dbraw/zinc/69/18/59/1035691859.db2.gz QCLXDVNFEQNTTF-UHFFFAOYSA-N 1 0 347.506 4.242 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000595520971 1035693261 /nfs/dbraw/zinc/69/32/61/1035693261.db2.gz UOAJGLVHPYGHLY-HXUWFJFHSA-N 1 0 330.435 4.204 20 30 EIEDRO N#Cc1cccc(OCC[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000501874111 1035707677 /nfs/dbraw/zinc/70/76/77/1035707677.db2.gz XGYVCYDRICQFPX-UHFFFAOYSA-N 1 0 345.446 4.298 20 30 EIEDRO C[C@H](CO)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000593086004 1035741749 /nfs/dbraw/zinc/74/17/49/1035741749.db2.gz ZZGITAKEIZLXPE-QGZVFWFLSA-N 1 0 334.463 4.066 20 30 EIEDRO COC(=O)c1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1Cl ZINC000595632908 1035741836 /nfs/dbraw/zinc/74/18/36/1035741836.db2.gz JUGOQNSDXCYPHA-UHFFFAOYSA-N 1 0 342.826 4.023 20 30 EIEDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000595602879 1035745562 /nfs/dbraw/zinc/74/55/62/1035745562.db2.gz XMMNSDKBRABXNX-CABCVRRESA-N 1 0 333.501 4.140 20 30 EIEDRO N#CC[C@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000595610711 1035749420 /nfs/dbraw/zinc/74/94/20/1035749420.db2.gz AGSFRPOMXYVRPE-QGZVFWFLSA-N 1 0 330.435 4.127 20 30 EIEDRO C[C@H]([NH2+]CCOCCC#N)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000595683687 1035753653 /nfs/dbraw/zinc/75/36/53/1035753653.db2.gz YCDJXRKTHUYTFJ-ROUUACIJSA-N 1 0 338.451 4.407 20 30 EIEDRO CC(C)([NH2+]CCC(=O)Nc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000595639555 1035755293 /nfs/dbraw/zinc/75/52/93/1035755293.db2.gz MSCQEXQNCIVICT-UHFFFAOYSA-N 1 0 341.842 4.065 20 30 EIEDRO CC(C)(C)c1ccccc1NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595641092 1035756222 /nfs/dbraw/zinc/75/62/22/1035756222.db2.gz AFPSLYUQVFAOPU-UHFFFAOYSA-N 1 0 349.478 4.319 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CC/C=C\c3ccccc3)CCOCC2)c1 ZINC000595770217 1035777904 /nfs/dbraw/zinc/77/79/04/1035777904.db2.gz VVSRBVLMMAKSEA-WTKPLQERSA-N 1 0 332.447 4.257 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1=CCCOC1 ZINC000595747252 1035782476 /nfs/dbraw/zinc/78/24/76/1035782476.db2.gz IRXBDIBGKROBDG-UHFFFAOYSA-N 1 0 346.474 4.165 20 30 EIEDRO C=CCC1([NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)CCCC1 ZINC000595780292 1035791500 /nfs/dbraw/zinc/79/15/00/1035791500.db2.gz PSJSUMCSMHDJFV-UHFFFAOYSA-N 1 0 345.874 4.065 20 30 EIEDRO CC(C)CC1([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000595832263 1035800591 /nfs/dbraw/zinc/80/05/91/1035800591.db2.gz VLWCAEUERAVVSB-HNNXBMFYSA-N 1 0 345.512 4.045 20 30 EIEDRO CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC000596068713 1035818669 /nfs/dbraw/zinc/81/86/69/1035818669.db2.gz YYGKTQJAMJOPCP-UHFFFAOYSA-N 1 0 339.405 4.095 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000586794633 1035849556 /nfs/dbraw/zinc/84/95/56/1035849556.db2.gz ZXDINIIITCCQGQ-MNEFBYGVSA-N 1 0 332.875 4.480 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000485410837 1035867488 /nfs/dbraw/zinc/86/74/88/1035867488.db2.gz XJFOFWPXNPILKT-UHFFFAOYSA-N 1 0 335.536 4.074 20 30 EIEDRO Cc1cccc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593183825 1035893231 /nfs/dbraw/zinc/89/32/31/1035893231.db2.gz KWPBOESRGHQWJP-SFHVURJKSA-N 1 0 333.479 4.182 20 30 EIEDRO CC[NH+](CC)[C@@H](CNC(=O)CC1(C#N)CCCCC1)c1ccsc1 ZINC000596793513 1036020479 /nfs/dbraw/zinc/02/04/79/1036020479.db2.gz JNPMVBNWFIMGBR-KRWDZBQOSA-N 1 0 347.528 4.111 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+](CCCO)[C@@H]3CCc4ccccc43)cc2)CC1 ZINC000597010222 1036068467 /nfs/dbraw/zinc/06/84/67/1036068467.db2.gz MJOICXFKASUHAY-JOCHJYFZSA-N 1 0 346.474 4.114 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+](CCO)[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000597011070 1036068536 /nfs/dbraw/zinc/06/85/36/1036068536.db2.gz TUJKXPYCWANCMC-QFIPXVFZSA-N 1 0 346.474 4.114 20 30 EIEDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)cc1 ZINC000596993618 1036071167 /nfs/dbraw/zinc/07/11/67/1036071167.db2.gz SEZGCLCNDZYLQC-IBGZPJMESA-N 1 0 332.447 4.240 20 30 EIEDRO N#C[C@@H]1CC[C@@H](Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000571563124 1036089256 /nfs/dbraw/zinc/08/92/56/1036089256.db2.gz QMJIRYXDWPQKFX-SJLPKXTDSA-N 1 0 329.513 4.369 20 30 EIEDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000597117147 1036106297 /nfs/dbraw/zinc/10/62/97/1036106297.db2.gz JCVKTUPZDFLOGJ-HXUWFJFHSA-N 1 0 334.463 4.091 20 30 EIEDRO CCCOc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(C)c1 ZINC000597133247 1036112921 /nfs/dbraw/zinc/11/29/21/1036112921.db2.gz WQUVBYJNXVWOIB-UHFFFAOYSA-N 1 0 349.478 4.236 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597175415 1036142923 /nfs/dbraw/zinc/14/29/23/1036142923.db2.gz ZBZJKJNNAIJIQI-AWEZNQCLSA-N 1 0 341.436 4.449 20 30 EIEDRO N#CC[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000597178193 1036148294 /nfs/dbraw/zinc/14/82/94/1036148294.db2.gz WGVLJINGOOXLBY-HNNXBMFYSA-N 1 0 325.387 4.139 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)c(C(F)(F)F)c1 ZINC000597214304 1036156399 /nfs/dbraw/zinc/15/63/99/1036156399.db2.gz VKQVCGHHFLCKEK-KRWDZBQOSA-N 1 0 332.325 4.060 20 30 EIEDRO N#CCCCOc1cccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000597225044 1036169761 /nfs/dbraw/zinc/16/97/61/1036169761.db2.gz MHHUZOUCKJCXDB-NRFANRHFSA-N 1 0 342.483 4.150 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CC4(CCOCC4)[C@@H]3c3ccco3)cc2)CC1 ZINC000597222130 1036170115 /nfs/dbraw/zinc/17/01/15/1036170115.db2.gz URVBNSTVHUXNTA-FQEVSTJZSA-N 1 0 348.446 4.188 20 30 EIEDRO Cc1cc([C@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)c(O)cc1Cl ZINC000597224091 1036170620 /nfs/dbraw/zinc/17/06/20/1036170620.db2.gz XHFOCYSPKJTFGJ-ZDUSSCGKSA-N 1 0 332.856 4.277 20 30 EIEDRO CC1CC[NH+](Cc2ccc(CNC(=O)CCCCCC#N)cc2)CC1 ZINC000588149412 1036243376 /nfs/dbraw/zinc/24/33/76/1036243376.db2.gz GGYUQISLIQELJA-UHFFFAOYSA-N 1 0 341.499 4.009 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCCCCC#N ZINC000588151765 1036247344 /nfs/dbraw/zinc/24/73/44/1036247344.db2.gz UFLLNTMEQUJZSL-GOSISDBHSA-N 1 0 341.499 4.151 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1 ZINC000597549652 1036271632 /nfs/dbraw/zinc/27/16/32/1036271632.db2.gz SZZVZTKVEBHKNM-UHFFFAOYSA-N 1 0 327.472 4.331 20 30 EIEDRO CC[C@H]1C[C@]1([NH2+]CCCC1(C#N)CCOCC1)c1cccc(C)c1 ZINC000502506569 1036275348 /nfs/dbraw/zinc/27/53/48/1036275348.db2.gz FENCNUPTRVRHTB-GHTZIAJQSA-N 1 0 326.484 4.310 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1OCCC(C)C ZINC000421354777 1036296402 /nfs/dbraw/zinc/29/64/02/1036296402.db2.gz SRDGKTWDBNLYJA-UHFFFAOYSA-N 1 0 344.480 4.343 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000588232560 1036305956 /nfs/dbraw/zinc/30/59/56/1036305956.db2.gz NFNUEDVEXCDLIO-IEBWSBKVSA-N 1 0 328.843 4.028 20 30 EIEDRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421362544 1036306658 /nfs/dbraw/zinc/30/66/58/1036306658.db2.gz JIXSQLVGAMTJSP-PZJWPPBQSA-N 1 0 338.426 4.263 20 30 EIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421362542 1036308440 /nfs/dbraw/zinc/30/84/40/1036308440.db2.gz JIXSQLVGAMTJSP-CTNGQTDRSA-N 1 0 338.426 4.263 20 30 EIEDRO CCOc1ccccc1OCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502552357 1036334384 /nfs/dbraw/zinc/33/43/84/1036334384.db2.gz FWCWVBYZWHMUKZ-UHFFFAOYSA-N 1 0 348.446 4.125 20 30 EIEDRO N#CCCCCCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000588320743 1036341502 /nfs/dbraw/zinc/34/15/02/1036341502.db2.gz UKFGMIFROCEIHS-UHFFFAOYSA-N 1 0 338.455 4.349 20 30 EIEDRO CC1(C)CC(N=Nc2nncc3ccccc32)C[N@@H+]1Cc1ccccc1 ZINC000761254739 1036457747 /nfs/dbraw/zinc/45/77/47/1036457747.db2.gz RLGXRGHVMUTGCY-UHFFFAOYSA-N 1 0 345.450 4.082 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000602501027 1036463689 /nfs/dbraw/zinc/46/36/89/1036463689.db2.gz CEBKSAKAONSLEL-RDTXWAMCSA-N 1 0 332.875 4.480 20 30 EIEDRO CC[C@@H]1C[N@H+](C[C@H](C)CCC#N)[C@@H](CC)CN1C[C@H](C)CCC#N ZINC000602494925 1036468378 /nfs/dbraw/zinc/46/83/78/1036468378.db2.gz RAJYMQGHMIIKKY-WTGUMLROSA-N 1 0 332.536 4.041 20 30 EIEDRO N#CC1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000602497556 1036470821 /nfs/dbraw/zinc/47/08/21/1036470821.db2.gz BEMKMDUKFKUGOI-LADRWXRNSA-N 1 0 331.891 4.149 20 30 EIEDRO N#CC1CCC([NH2+]CCc2cc(Cl)ccc2Br)CC1 ZINC000602575818 1036506596 /nfs/dbraw/zinc/50/65/96/1036506596.db2.gz XVLPZFHZUBCIRR-UHFFFAOYSA-N 1 0 341.680 4.317 20 30 EIEDRO CCCCOc1ccc(CC[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602517209 1036474767 /nfs/dbraw/zinc/47/47/67/1036474767.db2.gz XWVZAHNPDNEGAP-SFHVURJKSA-N 1 0 344.499 4.097 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000602522342 1036477964 /nfs/dbraw/zinc/47/79/64/1036477964.db2.gz VPFJAADFCXGQFL-DNOWBOINSA-N 1 0 326.362 4.361 20 30 EIEDRO CC(C)SCC[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366983733 1036480532 /nfs/dbraw/zinc/48/05/32/1036480532.db2.gz SLDJTSPPXVXZAX-CYBMUJFWSA-N 1 0 331.510 4.474 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000602508198 1036483829 /nfs/dbraw/zinc/48/38/29/1036483829.db2.gz ADHVVTMFKYFYPW-WYUUTHIRSA-N 1 0 330.316 4.425 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000602512618 1036485442 /nfs/dbraw/zinc/48/54/42/1036485442.db2.gz WKQJGKQXHZBSIB-YOEHRIQHSA-N 1 0 337.870 4.145 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CCC#N)cc1Br ZINC000602512655 1036487439 /nfs/dbraw/zinc/48/74/39/1036487439.db2.gz LOBXYVYMBIQQOY-RYUDHWBXSA-N 1 0 325.250 4.048 20 30 EIEDRO N#CC1CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000602539333 1036488659 /nfs/dbraw/zinc/48/86/59/1036488659.db2.gz JSSWSTZRNMMGRC-UHFFFAOYSA-N 1 0 332.875 4.060 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCOc1cccc(C(C)(C)C)c1 ZINC000602548968 1036489146 /nfs/dbraw/zinc/48/91/46/1036489146.db2.gz XVDYFNZWLRVBAY-KRWDZBQOSA-N 1 0 344.499 4.051 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccccc1C(C)(C)C ZINC000602546817 1036489638 /nfs/dbraw/zinc/48/96/38/1036489638.db2.gz GESLOFXEIPPIRQ-QGZVFWFLSA-N 1 0 344.499 4.051 20 30 EIEDRO COC[C@@H]([NH2+]C1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000602546051 1036490050 /nfs/dbraw/zinc/49/00/50/1036490050.db2.gz ODCDWGFILAXICY-VDSRIPIWSA-N 1 0 326.362 4.065 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000414531539 1036490370 /nfs/dbraw/zinc/49/03/70/1036490370.db2.gz GJQFZYIZERWUQX-WMZOPIPTSA-N 1 0 328.481 4.272 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000602526844 1036493828 /nfs/dbraw/zinc/49/38/28/1036493828.db2.gz GGJQIOZMPHXNSV-GFCCVEGCSA-N 1 0 349.887 4.138 20 30 EIEDRO COc1cccc(C([NH2+]C[C@H](C)CCC#N)c2cccc(OC)c2)c1 ZINC000602565498 1036495782 /nfs/dbraw/zinc/49/57/82/1036495782.db2.gz QVBLWNWCFLPMOZ-MRXNPFEDSA-N 1 0 338.451 4.323 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000602555969 1036497607 /nfs/dbraw/zinc/49/76/07/1036497607.db2.gz SAPDEYOYIIAXRF-HNNXBMFYSA-N 1 0 332.875 4.060 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2cccc(Cl)c2)CC1 ZINC000602555970 1036497682 /nfs/dbraw/zinc/49/76/82/1036497682.db2.gz SAPDEYOYIIAXRF-OAHLLOKOSA-N 1 0 332.875 4.060 20 30 EIEDRO CCc1ccc(C(C)(C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602566759 1036500329 /nfs/dbraw/zinc/50/03/29/1036500329.db2.gz ZOYWQGYOGQJUPM-QGZVFWFLSA-N 1 0 328.500 4.215 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)COc1ncc(Cl)cc1Cl ZINC000602575264 1036501374 /nfs/dbraw/zinc/50/13/74/1036501374.db2.gz QMIAJKGMYBQYJY-LLVKDONJSA-N 1 0 330.259 4.075 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000602642466 1036529582 /nfs/dbraw/zinc/52/95/82/1036529582.db2.gz YCUKZVAUHDBRKD-GWCFXTLKSA-N 1 0 325.275 4.125 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000602647258 1036541902 /nfs/dbraw/zinc/54/19/02/1036541902.db2.gz YRGYMTSTCHYBIQ-WJYNOGRTSA-N 1 0 331.341 4.008 20 30 EIEDRO N#CC1CCC([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000602652384 1036545185 /nfs/dbraw/zinc/54/51/85/1036545185.db2.gz XTXJFZNRHHUASD-FPCQFERPSA-N 1 0 332.875 4.480 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000602670806 1036547518 /nfs/dbraw/zinc/54/75/18/1036547518.db2.gz GMQSSHMZVWJMRB-CKEIUWERSA-N 1 0 340.389 4.407 20 30 EIEDRO C[C@H](CCC#N)C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000602671838 1036553945 /nfs/dbraw/zinc/55/39/45/1036553945.db2.gz KHGSLSBIQCLDQK-KEYYUXOJSA-N 1 0 340.389 4.407 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000602707877 1036581719 /nfs/dbraw/zinc/58/17/19/1036581719.db2.gz BVVARBODIMAQOR-GFCCVEGCSA-N 1 0 327.255 4.182 20 30 EIEDRO N#CCCn1cc(C[NH+]2CC(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000602729614 1036597651 /nfs/dbraw/zinc/59/76/51/1036597651.db2.gz XTLWHDHKMQHUEN-UHFFFAOYSA-N 1 0 342.446 4.063 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000588957447 1036621263 /nfs/dbraw/zinc/62/12/63/1036621263.db2.gz HKDICNOALMQXMJ-NSUOALMASA-N 1 0 347.462 4.481 20 30 EIEDRO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000588959819 1036624361 /nfs/dbraw/zinc/62/43/61/1036624361.db2.gz GFKFCCPWHYWZQK-VGOFRKELSA-N 1 0 333.479 4.046 20 30 EIEDRO N#CC1(CC[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CCCCC1 ZINC000602885650 1036660797 /nfs/dbraw/zinc/66/07/97/1036660797.db2.gz ZHUZLKTZSXKQGP-GOSISDBHSA-N 1 0 334.467 4.283 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000602925402 1036682604 /nfs/dbraw/zinc/68/26/04/1036682604.db2.gz OHWAIRXKKVEHGE-OAHLLOKOSA-N 1 0 328.378 4.048 20 30 EIEDRO CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598602332 1036705376 /nfs/dbraw/zinc/70/53/76/1036705376.db2.gz NLRWBEWGYTUYEE-HZPDHXFCSA-N 1 0 342.405 4.437 20 30 EIEDRO CC(C)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598603513 1036706873 /nfs/dbraw/zinc/70/68/73/1036706873.db2.gz VALDBTCFFKBSSO-CVEARBPZSA-N 1 0 342.405 4.293 20 30 EIEDRO Cc1ccccc1C([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1C ZINC000598604965 1036719326 /nfs/dbraw/zinc/71/93/26/1036719326.db2.gz QUECGIAXWAEXEN-GOSISDBHSA-N 1 0 336.479 4.283 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000593587782 1036724111 /nfs/dbraw/zinc/72/41/11/1036724111.db2.gz YEBKNQNAMNRKEX-CVEARBPZSA-N 1 0 330.472 4.357 20 30 EIEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccccc1 ZINC000589267987 1036725516 /nfs/dbraw/zinc/72/55/16/1036725516.db2.gz VXKJZKHIGUIENH-RTWAWAEBSA-N 1 0 333.479 4.023 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)cc1 ZINC000589268761 1036727292 /nfs/dbraw/zinc/72/72/92/1036727292.db2.gz ZHAJBKAJCDVBKV-GOSISDBHSA-N 1 0 342.508 4.399 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000589279334 1036728718 /nfs/dbraw/zinc/72/87/18/1036728718.db2.gz MXKVPEZHVDCSIN-NRFANRHFSA-N 1 0 345.490 4.125 20 30 EIEDRO COC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000589343277 1036741471 /nfs/dbraw/zinc/74/14/71/1036741471.db2.gz HFXIGNZXKPIFJH-MOPGFXCFSA-N 1 0 326.827 4.176 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc(N2CCCC2)n1 ZINC000589344413 1036742545 /nfs/dbraw/zinc/74/25/45/1036742545.db2.gz KTHMAJQIYBGSHC-OAQYLSRUSA-N 1 0 346.478 4.029 20 30 EIEDRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]Cc1ccc(C#N)cc1F ZINC000589312534 1036743771 /nfs/dbraw/zinc/74/37/71/1036743771.db2.gz QLZMCQXEIQUXFV-MDWZMJQESA-N 1 0 346.352 4.492 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c(C(F)(F)F)c1 ZINC000589315643 1036744021 /nfs/dbraw/zinc/74/40/21/1036744021.db2.gz JQNHSKZRXFUFEU-SCTDSRPQSA-N 1 0 342.364 4.253 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)c(C(F)(F)F)c1 ZINC000589310532 1036745454 /nfs/dbraw/zinc/74/54/54/1036745454.db2.gz QEXIJYMKQDGGKM-UHFFFAOYSA-N 1 0 326.268 4.145 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1(c2ccc(Cl)cc2)CCCC1 ZINC000598700788 1036749837 /nfs/dbraw/zinc/74/98/37/1036749837.db2.gz QSXOHXZQKCSEPX-QGZVFWFLSA-N 1 0 334.891 4.042 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc(C#N)cc1F)CC3 ZINC000486541596 1036763945 /nfs/dbraw/zinc/76/39/45/1036763945.db2.gz TWAWEYFRKSQHPA-MRXNPFEDSA-N 1 0 333.410 4.134 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1N[C@@H](C)c1ccccc1 ZINC000908025021 1036779151 /nfs/dbraw/zinc/77/91/51/1036779151.db2.gz FRRWYDHXLVPHOE-KRWDZBQOSA-N 1 0 337.467 4.306 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(-c3cccnc3)cc2)ccc1C#N ZINC000367092456 1036796670 /nfs/dbraw/zinc/79/66/70/1036796670.db2.gz FIICRPNCEWCNOO-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000589504206 1036803965 /nfs/dbraw/zinc/80/39/65/1036803965.db2.gz PNRFQCDRBQDLHZ-NSHDSACASA-N 1 0 348.324 4.157 20 30 EIEDRO N#CCCCC[NH2+]Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC000598964817 1036829905 /nfs/dbraw/zinc/82/99/05/1036829905.db2.gz YTENODQHACPIEK-UHFFFAOYSA-N 1 0 338.386 4.049 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)c1ccc(C#N)cc1 ZINC000598955813 1036831366 /nfs/dbraw/zinc/83/13/66/1036831366.db2.gz LZRXPKQGKRRCSN-ZDUSSCGKSA-N 1 0 342.464 4.426 20 30 EIEDRO Cc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)ncc1Br ZINC000598981367 1036839584 /nfs/dbraw/zinc/83/95/84/1036839584.db2.gz OKVWNAVGVYKSDZ-UHFFFAOYSA-N 1 0 344.256 4.049 20 30 EIEDRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000599047956 1036856356 /nfs/dbraw/zinc/85/63/56/1036856356.db2.gz HJPAWTDQMIJKEP-MDZLAQPJSA-N 1 0 345.796 4.357 20 30 EIEDRO CCCCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000486798429 1036858375 /nfs/dbraw/zinc/85/83/75/1036858375.db2.gz NOKOYVKZLXZZRT-MRXNPFEDSA-N 1 0 345.512 4.285 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3sccc3Cl)CC2)c1 ZINC000593692702 1036893266 /nfs/dbraw/zinc/89/32/66/1036893266.db2.gz IJZMWAZUEIWRBE-UHFFFAOYSA-N 1 0 345.899 4.027 20 30 EIEDRO Cc1ccccc1C[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693011 1036893645 /nfs/dbraw/zinc/89/36/45/1036893645.db2.gz LTZNRPHXWIWSNJ-LJQANCHMSA-N 1 0 347.506 4.052 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCC[C@H]3C3CC3)CC2)c1 ZINC000593701947 1036904390 /nfs/dbraw/zinc/90/43/90/1036904390.db2.gz ILGQFVBAYCXVJD-VXKWHMMOSA-N 1 0 337.511 4.081 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]C3CC(c4ccccc4)C3)CC2)c1 ZINC000593701094 1036906651 /nfs/dbraw/zinc/90/66/51/1036906651.db2.gz DHYMCQFHSIWDFM-UHFFFAOYSA-N 1 0 345.490 4.058 20 30 EIEDRO Cc1cc(C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)on1 ZINC000170911900 1036924899 /nfs/dbraw/zinc/92/48/99/1036924899.db2.gz AZKRRUAVNBKSSS-UHFFFAOYSA-N 1 0 334.423 4.049 20 30 EIEDRO Cc1ccsc1[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593722675 1036936741 /nfs/dbraw/zinc/93/67/41/1036936741.db2.gz PUMJSULVEFZMKL-MRXNPFEDSA-N 1 0 339.508 4.243 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccn1 ZINC000593723739 1036942786 /nfs/dbraw/zinc/94/27/86/1036942786.db2.gz YDVSNNJTJWYWHN-JOCHJYFZSA-N 1 0 348.494 4.049 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cs1 ZINC000593724635 1036945994 /nfs/dbraw/zinc/94/59/94/1036945994.db2.gz DTVJBNVHWRGNNM-MRXNPFEDSA-N 1 0 339.508 4.243 20 30 EIEDRO CCC[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000599348513 1036963309 /nfs/dbraw/zinc/96/33/09/1036963309.db2.gz FLFJXIMUFMTONN-CJNGLKHVSA-N 1 0 341.282 4.479 20 30 EIEDRO CCC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599349122 1036964649 /nfs/dbraw/zinc/96/46/49/1036964649.db2.gz KPOUMWKVXJKKAM-HOTGVXAUSA-N 1 0 340.389 4.191 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)cc1C#N ZINC000599436486 1037013500 /nfs/dbraw/zinc/01/35/00/1037013500.db2.gz GPLFSOVNFYIZOG-NRFANRHFSA-N 1 0 334.463 4.250 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000590244689 1037018957 /nfs/dbraw/zinc/01/89/57/1037018957.db2.gz WNSBHHZVYMKDCT-JTDSTZFVSA-N 1 0 328.456 4.111 20 30 EIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)cc1 ZINC000603838899 1037020344 /nfs/dbraw/zinc/02/03/44/1037020344.db2.gz UVFMWLDMUXRXMV-OAQYLSRUSA-N 1 0 336.435 4.173 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000271823944 1037026081 /nfs/dbraw/zinc/02/60/81/1037026081.db2.gz CUUXPMWDFMCMBA-AEFFLSMTSA-N 1 0 328.456 4.121 20 30 EIEDRO N#Cc1ccc(C2([NH2+]CCCCc3ccccc3)CCOCC2)cc1 ZINC000599633690 1037104043 /nfs/dbraw/zinc/10/40/43/1037104043.db2.gz FCRIFIVCVWJRKI-UHFFFAOYSA-N 1 0 334.463 4.176 20 30 EIEDRO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1cc(C)ccc1C ZINC000599639757 1037106855 /nfs/dbraw/zinc/10/68/55/1037106855.db2.gz AMYJHVJWKVCDKA-FQEVSTJZSA-N 1 0 336.435 4.203 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599665304 1037111808 /nfs/dbraw/zinc/11/18/08/1037111808.db2.gz JIEYNNPJRIOCEG-OAHLLOKOSA-N 1 0 329.271 4.336 20 30 EIEDRO O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000463189527 1037180049 /nfs/dbraw/zinc/18/00/49/1037180049.db2.gz ARSPZKHXYWPKNM-HSALFYBXSA-N 1 0 331.887 4.097 20 30 EIEDRO CCc1ccc(-c2noc([C@H](C)[NH2+]CCCC(C)(C)C#N)n2)cc1 ZINC000273276887 1037398220 /nfs/dbraw/zinc/39/82/20/1037398220.db2.gz GATFEPBKAQXOOQ-AWEZNQCLSA-N 1 0 326.444 4.280 20 30 EIEDRO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCCC(C)(C)C#N)n2)cc1 ZINC000273276889 1037398991 /nfs/dbraw/zinc/39/89/91/1037398991.db2.gz GATFEPBKAQXOOQ-CQSZACIVSA-N 1 0 326.444 4.280 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)cc1Cl ZINC000604768427 1037509174 /nfs/dbraw/zinc/50/91/74/1037509174.db2.gz QNZHNQYKBXTQEF-KXBFYZLASA-N 1 0 345.870 4.159 20 30 EIEDRO C=CCCC[N@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000605150384 1037694001 /nfs/dbraw/zinc/69/40/01/1037694001.db2.gz QISLZXRJKKOHSZ-LJQANCHMSA-N 1 0 327.468 4.256 20 30 EIEDRO CSc1ccc([C@@H](CNc2ccc(F)cc2C#N)[NH+](C)C)cc1 ZINC000570228566 1037734529 /nfs/dbraw/zinc/73/45/29/1037734529.db2.gz PTRZTHHCTRBFII-GOSISDBHSA-N 1 0 329.444 4.134 20 30 EIEDRO N#CC1(CCC[NH2+]C2(c3cccc(Cl)c3)CCC2)CCOCC1 ZINC000592182411 1037743703 /nfs/dbraw/zinc/74/37/03/1037743703.db2.gz AAZJTLKOKIAXJU-UHFFFAOYSA-N 1 0 332.875 4.409 20 30 EIEDRO N#CC1(CCC[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)CCOCC1 ZINC000592186709 1037745382 /nfs/dbraw/zinc/74/53/82/1037745382.db2.gz GUJRITHNTNQIGA-HXUWFJFHSA-N 1 0 336.479 4.480 20 30 EIEDRO C[C@H]1C[C@@]1([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000503434254 1037756272 /nfs/dbraw/zinc/75/62/72/1037756272.db2.gz RHYIGVFONFTLGD-KXBFYZLASA-N 1 0 332.875 4.265 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)cc1 ZINC000592391607 1037795015 /nfs/dbraw/zinc/79/50/15/1037795015.db2.gz IMTWZRKMHYMIRC-GOSISDBHSA-N 1 0 341.252 4.292 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000503558725 1037819069 /nfs/dbraw/zinc/81/90/69/1037819069.db2.gz WYHDHXLXTTYPKK-CYBMUJFWSA-N 1 0 334.341 4.350 20 30 EIEDRO CCCC[N@H+](Cc1cc(C#N)cs1)[C@H]1CCc2ncsc2C1 ZINC000592529738 1037824903 /nfs/dbraw/zinc/82/49/03/1037824903.db2.gz OTMCGCOXZCHKAQ-AWEZNQCLSA-N 1 0 331.510 4.236 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000503576443 1037825898 /nfs/dbraw/zinc/82/58/98/1037825898.db2.gz PZFQGBSEVOOHAA-ZDUSSCGKSA-N 1 0 329.241 4.214 20 30 EIEDRO C=CCCC[C@H]([NH3+])C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000912082510 1037878265 /nfs/dbraw/zinc/87/82/65/1037878265.db2.gz HBMXPFJVUWYEGT-INIZCTEOSA-N 1 0 334.510 4.022 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2CCCOc3ccc(C(C)C)cc32)CC1 ZINC000489460932 1038072692 /nfs/dbraw/zinc/07/26/92/1038072692.db2.gz DLBGTGNCXRGBOO-HXUWFJFHSA-N 1 0 328.500 4.264 20 30 EIEDRO C=C[C@@H]1CCCCN1Cc1ccc(OC)c(OC)c1Br ZINC000489462614 1038075084 /nfs/dbraw/zinc/07/50/84/1038075084.db2.gz KZSDGSNAUUWXFG-CYBMUJFWSA-N 1 0 340.261 4.007 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)C1 ZINC000593660164 1038118299 /nfs/dbraw/zinc/11/82/99/1038118299.db2.gz CGBICINQWXRWDK-ZBFHGGJFSA-N 1 0 325.387 4.185 20 30 EIEDRO N#C[C@@H]1CCC[C@@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000593677555 1038125253 /nfs/dbraw/zinc/12/52/53/1038125253.db2.gz ASMGHXLYJGVFHY-SJLPKXTDSA-N 1 0 329.513 4.369 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019978 1038212048 /nfs/dbraw/zinc/21/20/48/1038212048.db2.gz UBIAGGCYSATTCH-INIZCTEOSA-N 1 0 342.446 4.442 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)cc1F ZINC000594020163 1038213897 /nfs/dbraw/zinc/21/38/97/1038213897.db2.gz VZEJXJIUJHNKAN-UHFFFAOYSA-N 1 0 346.409 4.020 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccccc3OC(F)F)CCC2)cc1 ZINC000594032574 1038239160 /nfs/dbraw/zinc/23/91/60/1038239160.db2.gz JNUZDXSWPGECSK-UHFFFAOYSA-N 1 0 328.362 4.329 20 30 EIEDRO COc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)ccc1Cl ZINC000594035449 1038256408 /nfs/dbraw/zinc/25/64/08/1038256408.db2.gz NQMACQDJNKGXIU-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO C=CCCCCCN(C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000606816794 1038256663 /nfs/dbraw/zinc/25/66/63/1038256663.db2.gz LJJKIJMCKCGDPJ-UHFFFAOYSA-N 1 0 328.500 4.103 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1CN=Cc1cc2ccccc2[nH]c1=O ZINC000912781086 1038303828 /nfs/dbraw/zinc/30/38/28/1038303828.db2.gz RZXLHEKFKUEZNE-HAHDFKILSA-N 1 0 347.462 4.401 20 30 EIEDRO C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594431570 1038332849 /nfs/dbraw/zinc/33/28/49/1038332849.db2.gz NZJPVWKZDBOSRB-IIBYNOLFSA-N 1 0 349.478 4.303 20 30 EIEDRO Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594432657 1038334031 /nfs/dbraw/zinc/33/40/31/1038334031.db2.gz AIRJYBSMBCBGFO-GOSISDBHSA-N 1 0 337.423 4.137 20 30 EIEDRO Fc1ccc(CCN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000490105697 1038336924 /nfs/dbraw/zinc/33/69/24/1038336924.db2.gz QUUVGMIURMLNIF-UHFFFAOYSA-N 1 0 347.249 4.324 20 30 EIEDRO CC(C)Cc1ccc([C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594424891 1038340627 /nfs/dbraw/zinc/34/06/27/1038340627.db2.gz DKZWMDBAWKZUIM-VQTJNVASSA-N 1 0 343.515 4.110 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2cccc3cccnc32)cc1 ZINC000594495000 1038345931 /nfs/dbraw/zinc/34/59/31/1038345931.db2.gz MTPFRMKJWJBGGR-UHFFFAOYSA-N 1 0 329.447 4.368 20 30 EIEDRO CN(C)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 ZINC000594494425 1038347169 /nfs/dbraw/zinc/34/71/69/1038347169.db2.gz BBFLUEUPDWSZQS-FQEVSTJZSA-N 1 0 339.458 4.019 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C3CCN(Cc4ccccc4)CC3)CCC2)cc1 ZINC000594515225 1038357586 /nfs/dbraw/zinc/35/75/86/1038357586.db2.gz LOHGMDMKZBMFMD-UHFFFAOYSA-N 1 0 345.490 4.192 20 30 EIEDRO COc1ccc2oc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)cc2c1 ZINC000594517916 1038358402 /nfs/dbraw/zinc/35/84/02/1038358402.db2.gz DBSOYLRQSUIHOC-UHFFFAOYSA-N 1 0 332.403 4.482 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(OC)c1 ZINC000594515295 1038358894 /nfs/dbraw/zinc/35/88/94/1038358894.db2.gz MQRFASLKXXDSTC-HNNXBMFYSA-N 1 0 336.435 4.305 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594516535 1038359173 /nfs/dbraw/zinc/35/91/73/1038359173.db2.gz RZOSXECNJGOQNE-UHOFOFEASA-N 1 0 348.512 4.102 20 30 EIEDRO CCOc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)ccc1OC ZINC000594520943 1038360529 /nfs/dbraw/zinc/36/05/29/1038360529.db2.gz RTBDAOUWWWFQSS-UHFFFAOYSA-N 1 0 336.435 4.135 20 30 EIEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594518251 1038361441 /nfs/dbraw/zinc/36/14/41/1038361441.db2.gz NQBCJTLWJRNWNZ-MRXNPFEDSA-N 1 0 344.462 4.425 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]C1(c3ccc(C#N)cc3)CCC1)CC2 ZINC000594520090 1038361655 /nfs/dbraw/zinc/36/16/55/1038361655.db2.gz YRZXBPGNYMILFA-IBGZPJMESA-N 1 0 348.446 4.232 20 30 EIEDRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607355 1038380343 /nfs/dbraw/zinc/38/03/43/1038380343.db2.gz TWGXTVZONPWBQV-UHFFFAOYSA-N 1 0 341.524 4.113 20 30 EIEDRO CCc1ccc(C)[nH+]c1NCc1ccc(OC)c(OCCCC#N)c1 ZINC000594742016 1038403273 /nfs/dbraw/zinc/40/32/73/1038403273.db2.gz JAOCGORNHCZBII-UHFFFAOYSA-N 1 0 339.439 4.256 20 30 EIEDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594919663 1038424058 /nfs/dbraw/zinc/42/40/58/1038424058.db2.gz IWACXAGJWWWKEQ-PGRDOPGGSA-N 1 0 345.490 4.167 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C2CC2)cc1 ZINC000594918262 1038424799 /nfs/dbraw/zinc/42/47/99/1038424799.db2.gz MUPVNTKLJLNTAO-NRFANRHFSA-N 1 0 332.447 4.491 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CC3(c4ccccc4)CCOCC3)cc2)CC1 ZINC000594914088 1038426978 /nfs/dbraw/zinc/42/69/78/1038426978.db2.gz CIYLUKAIIPKANG-UHFFFAOYSA-N 1 0 346.474 4.080 20 30 EIEDRO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594918544 1038427030 /nfs/dbraw/zinc/42/70/30/1038427030.db2.gz BSIKMGUSOGIFAX-HXUWFJFHSA-N 1 0 332.447 4.418 20 30 EIEDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594926716 1038428622 /nfs/dbraw/zinc/42/86/22/1038428622.db2.gz TVIKGYCJIUGKJP-PKOBYXMFSA-N 1 0 326.484 4.173 20 30 EIEDRO Cc1cccc2c(CC[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c[nH]c21 ZINC000594922673 1038431483 /nfs/dbraw/zinc/43/14/83/1038431483.db2.gz PODBUFXOVUAMMK-UHFFFAOYSA-N 1 0 329.447 4.364 20 30 EIEDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c(Cl)c1OC ZINC000594968637 1038484563 /nfs/dbraw/zinc/48/45/63/1038484563.db2.gz LLXMCVRHWJHBIC-UHFFFAOYSA-N 1 0 344.842 4.254 20 30 EIEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594937080 1038489852 /nfs/dbraw/zinc/48/98/52/1038489852.db2.gz ZMVLQFPWBYTWPG-UHFFFAOYSA-N 1 0 335.451 4.104 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1-n1cccn1 ZINC000594932746 1038494067 /nfs/dbraw/zinc/49/40/67/1038494067.db2.gz STDVSPLEQVRHFA-KRWDZBQOSA-N 1 0 342.446 4.278 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)cc1 ZINC000608073926 1038495007 /nfs/dbraw/zinc/49/50/07/1038495007.db2.gz PRAQCPHXANKGSM-NRFANRHFSA-N 1 0 347.462 4.059 20 30 EIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594941697 1038499551 /nfs/dbraw/zinc/49/95/51/1038499551.db2.gz YZKWNDXGSMXVNF-LJQANCHMSA-N 1 0 336.410 4.167 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3c(F)cccc3N3CCCC3)cc2)CC1 ZINC000594941011 1038499800 /nfs/dbraw/zinc/49/98/00/1038499800.db2.gz PDMPBJNZKQPPEH-UHFFFAOYSA-N 1 0 349.453 4.271 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CC[C@@H](c4ccccc4)O3)cc2)CC1 ZINC000594944457 1038501584 /nfs/dbraw/zinc/50/15/84/1038501584.db2.gz QMDUCGBOMDTUFI-RTWAWAEBSA-N 1 0 332.447 4.252 20 30 EIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C3(C#N)CC3)cc1)CCO2 ZINC000594942952 1038504181 /nfs/dbraw/zinc/50/41/81/1038504181.db2.gz ATUVRCDIOVQIBR-FQEVSTJZSA-N 1 0 348.446 4.254 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CCCN(c4ccccc4)C3)cc2)CC1 ZINC000594939134 1038508841 /nfs/dbraw/zinc/50/88/41/1038508841.db2.gz PPHQMVNCJLBCRN-HXUWFJFHSA-N 1 0 345.490 4.248 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594948721 1038524047 /nfs/dbraw/zinc/52/40/47/1038524047.db2.gz APMOMMKBAUPMTN-NRFANRHFSA-N 1 0 327.431 4.281 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2ccnc3ccccc23)cc1 ZINC000594965688 1038549059 /nfs/dbraw/zinc/54/90/59/1038549059.db2.gz CEDFRMHKVUPLCR-UHFFFAOYSA-N 1 0 329.447 4.368 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCCOC2)s1 ZINC000594967019 1038553415 /nfs/dbraw/zinc/55/34/15/1038553415.db2.gz VEWKWPVNDXQCTJ-GOSISDBHSA-N 1 0 346.883 4.155 20 30 EIEDRO CC(C)([NH2+]Cc1ccc2c(c1)OCCCCO2)c1cccc(C#N)c1 ZINC000594967593 1038556991 /nfs/dbraw/zinc/55/69/91/1038556991.db2.gz FIZLXIICBJYYOB-UHFFFAOYSA-N 1 0 336.435 4.135 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccc(Br)c3)o2)C1 ZINC000424199880 1038735975 /nfs/dbraw/zinc/73/59/75/1038735975.db2.gz QMKDDDYITWXOEZ-SWLSCSKDSA-N 1 0 345.240 4.491 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000424295173 1038771606 /nfs/dbraw/zinc/77/16/06/1038771606.db2.gz MIERHJRTZWBQBD-XIRDDKMYSA-N 1 0 336.273 4.081 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000424295067 1038771810 /nfs/dbraw/zinc/77/18/10/1038771810.db2.gz MDJGZEZQZCBWFN-IHPCNDPISA-N 1 0 342.870 4.200 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000424293669 1038772373 /nfs/dbraw/zinc/77/23/73/1038772373.db2.gz JCHPICFYZKHAAZ-DCGLDWPTSA-N 1 0 332.444 4.191 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c(C(F)(F)F)c1 ZINC000554971512 1038811087 /nfs/dbraw/zinc/81/10/87/1038811087.db2.gz OUJIPSHWFWBCRA-OAHLLOKOSA-N 1 0 338.373 4.158 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)c(Cl)c1 ZINC000424308405 1038814249 /nfs/dbraw/zinc/81/42/49/1038814249.db2.gz ABTPBRQEMGNXEE-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@H](c3ccc(F)cc3)C1)CC2 ZINC000555000024 1038823670 /nfs/dbraw/zinc/82/36/70/1038823670.db2.gz QPTCIPPHCJEWIS-NRSPTQNISA-N 1 0 336.410 4.195 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000539088245 1038830104 /nfs/dbraw/zinc/83/01/04/1038830104.db2.gz QNMAIFZAWQZBPM-ZDUSSCGKSA-N 1 0 348.324 4.316 20 30 EIEDRO CSc1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1F ZINC000539088769 1038830544 /nfs/dbraw/zinc/83/05/44/1038830544.db2.gz ZTFIXAWDPJWEDV-ZDUSSCGKSA-N 1 0 330.428 4.149 20 30 EIEDRO COCC1(C)CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000539096326 1038835173 /nfs/dbraw/zinc/83/51/73/1038835173.db2.gz DHNZRIDESMBDJP-UHFFFAOYSA-N 1 0 334.463 4.474 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000505000303 1038876489 /nfs/dbraw/zinc/87/64/89/1038876489.db2.gz BYESKNWLIQNHQA-UHFFFAOYSA-N 1 0 341.499 4.334 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000505004366 1038878612 /nfs/dbraw/zinc/87/86/12/1038878612.db2.gz CIRWRXOWHONDDN-UHFFFAOYSA-N 1 0 329.488 4.143 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000505010007 1038885012 /nfs/dbraw/zinc/88/50/12/1038885012.db2.gz AJIMJYQUFRTGAN-UHFFFAOYSA-N 1 0 343.515 4.391 20 30 EIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1OC ZINC000539253050 1038896442 /nfs/dbraw/zinc/89/64/42/1038896442.db2.gz JSOSTDHIIFFINJ-AWEZNQCLSA-N 1 0 342.414 4.346 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000505046358 1038899197 /nfs/dbraw/zinc/89/91/97/1038899197.db2.gz SFDAMHNZGLXQRN-GOSISDBHSA-N 1 0 329.488 4.143 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000539243427 1038900095 /nfs/dbraw/zinc/90/00/95/1038900095.db2.gz IDBIFICPJRVIGO-INIZCTEOSA-N 1 0 343.430 4.391 20 30 EIEDRO Cc1cccc2c(CC[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)c[nH]c21 ZINC000174447666 1038946277 /nfs/dbraw/zinc/94/62/77/1038946277.db2.gz ZNJJGNQSQRSONK-MRXNPFEDSA-N 1 0 333.435 4.100 20 30 EIEDRO Cc1ccc([C@H](CNc2ncc(C#N)cc2Cl)[NH+]2CCCC2)cc1 ZINC000608885373 1038955034 /nfs/dbraw/zinc/95/50/34/1038955034.db2.gz LMFYJYYYTIRDLZ-SFHVURJKSA-N 1 0 340.858 4.164 20 30 EIEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000608977659 1038987067 /nfs/dbraw/zinc/98/70/67/1038987067.db2.gz XFFOZBDVOBWHAJ-IEBWSBKVSA-N 1 0 347.462 4.155 20 30 EIEDRO C[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1cccc(F)c1F ZINC000539329007 1038993083 /nfs/dbraw/zinc/99/30/83/1038993083.db2.gz XEFDTMHMHJISPW-SNVBAGLBSA-N 1 0 338.304 4.289 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000552057180 1039076886 /nfs/dbraw/zinc/07/68/86/1039076886.db2.gz IXVPVMWNZGEYIO-ILWGZMRPSA-N 1 0 337.438 4.118 20 30 EIEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000481198791 1039126899 /nfs/dbraw/zinc/12/68/99/1039126899.db2.gz CLWICJVVTJQRMN-OALUTQOASA-N 1 0 341.499 4.109 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)C1CC1 ZINC000120757403 1039198602 /nfs/dbraw/zinc/19/86/02/1039198602.db2.gz MWAITCOOOAZGCA-FQEVSTJZSA-N 1 0 335.451 4.168 20 30 EIEDRO Cc1ccc(C#N)c(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)n1 ZINC000534300722 1039303671 /nfs/dbraw/zinc/30/36/71/1039303671.db2.gz VZEADURXLLMOOK-GOSISDBHSA-N 1 0 340.858 4.164 20 30 EIEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000555527360 1039328000 /nfs/dbraw/zinc/32/80/00/1039328000.db2.gz CUDMTRWFXZBBDM-XFJVYGCCSA-N 1 0 333.273 4.354 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481378608 1039364570 /nfs/dbraw/zinc/36/45/70/1039364570.db2.gz LDLRRYXSZYUIGP-ORAYPTAESA-N 1 0 344.842 4.086 20 30 EIEDRO C/C=C\C[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600212205 1039375674 /nfs/dbraw/zinc/37/56/74/1039375674.db2.gz CUQHCNMIPYPKHP-KVLZDYKBSA-N 1 0 349.482 4.037 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)C1 ZINC000552323301 1039380095 /nfs/dbraw/zinc/38/00/95/1039380095.db2.gz DDXWKGGBAVKZIM-NEPJUHHUSA-N 1 0 339.302 4.214 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000481429353 1039415328 /nfs/dbraw/zinc/41/53/28/1039415328.db2.gz WMLLPFMBMKQDSO-KZULUSFZSA-N 1 0 332.806 4.217 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC(OCC(C)C)CC2)ccc1OC ZINC000092223406 1039502033 /nfs/dbraw/zinc/50/20/33/1039502033.db2.gz YGYCBFNSSKNHHP-UHFFFAOYSA-N 1 0 347.499 4.287 20 30 EIEDRO N#Cc1c(Cl)cccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000552423130 1039521303 /nfs/dbraw/zinc/52/13/03/1039521303.db2.gz SEDCXIWRNQWOSM-IBGZPJMESA-N 1 0 325.843 4.461 20 30 EIEDRO CC(C)CC1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCC1 ZINC000478223683 1039561893 /nfs/dbraw/zinc/56/18/93/1039561893.db2.gz FKVYSLVPGKBMMY-UHFFFAOYSA-N 1 0 336.483 4.265 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000550844314 1039587334 /nfs/dbraw/zinc/58/73/34/1039587334.db2.gz OOZLOZIYZDYOKL-HSZRJFAPSA-N 1 0 345.490 4.310 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCOCC1)c1ccco1 ZINC000514091582 1039594230 /nfs/dbraw/zinc/59/42/30/1039594230.db2.gz ZRMBGDANQZGAOQ-IRXDYDNUSA-N 1 0 346.496 4.012 20 30 EIEDRO C=CCC1(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000478347556 1039685422 /nfs/dbraw/zinc/68/54/22/1039685422.db2.gz WSUFCRBSBCCTCW-QUCCMNQESA-N 1 0 340.511 4.150 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000481670216 1039708697 /nfs/dbraw/zinc/70/86/97/1039708697.db2.gz WLUDHKYSVBEXQN-IFMALSPDSA-N 1 0 334.463 4.082 20 30 EIEDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000093868666 1039762507 /nfs/dbraw/zinc/76/25/07/1039762507.db2.gz XGYYJERXAJXSAV-MJGOQNOKSA-N 1 0 332.513 4.475 20 30 EIEDRO CC(C)(CCC#N)COC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000842348624 1039796263 /nfs/dbraw/zinc/79/62/63/1039796263.db2.gz HJAILAQLHISTMW-UHFFFAOYSA-N 1 0 328.456 4.159 20 30 EIEDRO C=CCOc1ccc(CN2CC[C@H](C[NH+](CC)CC)C2)cc1Cl ZINC000537647316 1039808217 /nfs/dbraw/zinc/80/82/17/1039808217.db2.gz LMHIQOGTLWLSMN-QGZVFWFLSA-N 1 0 336.907 4.069 20 30 EIEDRO C=CCC1(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000478694079 1039864325 /nfs/dbraw/zinc/86/43/25/1039864325.db2.gz QCFASGUSQNOVGH-SFHVURJKSA-N 1 0 340.511 4.281 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccc(OCc2ccccc2)c1 ZINC000434797728 1039867101 /nfs/dbraw/zinc/86/71/01/1039867101.db2.gz ZMVAKABMYROBTF-KRWDZBQOSA-N 1 0 345.446 4.327 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000481920886 1039894790 /nfs/dbraw/zinc/89/47/90/1039894790.db2.gz WCTRIGOCANXTSD-CVDCTZTESA-N 1 0 345.490 4.442 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000481919743 1039895722 /nfs/dbraw/zinc/89/57/22/1039895722.db2.gz IOWULBLVPDUHBK-HXUWFJFHSA-N 1 0 335.407 4.066 20 30 EIEDRO C=CCOC(=O)[C@@H](Nc1ccc2c(c1)C(C(C)C)=[NH+]CC2)[C@@H](C)CC ZINC001167957271 1040023742 /nfs/dbraw/zinc/02/37/42/1040023742.db2.gz GIBVUQLLYOFDKK-YWZLYKJASA-N 1 0 342.483 4.244 20 30 EIEDRO C=CCC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000435097489 1040064887 /nfs/dbraw/zinc/06/48/87/1040064887.db2.gz GYPQBHGABMXHHX-AZUAARDMSA-N 1 0 343.515 4.114 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1scc(C)c1Cl)C(C)C ZINC000479077512 1040114830 /nfs/dbraw/zinc/11/48/30/1040114830.db2.gz MHXUSMVACKTDLR-AWEZNQCLSA-N 1 0 340.920 4.138 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)c2c1 ZINC000553337778 1040151259 /nfs/dbraw/zinc/15/12/59/1040151259.db2.gz VAXYOVBDNHQFPY-LPHOPBHVSA-N 1 0 348.494 4.293 20 30 EIEDRO C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455925089 1040186678 /nfs/dbraw/zinc/18/66/78/1040186678.db2.gz MWEIAHIRDZFNTR-IBGZPJMESA-N 1 0 329.488 4.446 20 30 EIEDRO C=C(C[NH2+][C@H](CC)Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000479257730 1040229123 /nfs/dbraw/zinc/22/91/23/1040229123.db2.gz ZWRNGZUSAUQGKZ-LJQANCHMSA-N 1 0 325.452 4.328 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000514796420 1040237461 /nfs/dbraw/zinc/23/74/61/1040237461.db2.gz PZHCBWBIJOATFU-INIZCTEOSA-N 1 0 345.368 4.352 20 30 EIEDRO CC[N@H+](CCCOc1cccc(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000477136683 1040247505 /nfs/dbraw/zinc/24/75/05/1040247505.db2.gz LNTXRCPJCDSESO-QGZVFWFLSA-N 1 0 333.435 4.282 20 30 EIEDRO C[N@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1N1CCCC1 ZINC000477153469 1040260245 /nfs/dbraw/zinc/26/02/45/1040260245.db2.gz RNQVKRVBQCNUDC-UHFFFAOYSA-N 1 0 349.478 4.059 20 30 EIEDRO C=C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000535509921 1040315094 /nfs/dbraw/zinc/31/50/94/1040315094.db2.gz DLPDNACMGYNTSN-IFMALSPDSA-N 1 0 348.490 4.127 20 30 EIEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000479418206 1040318421 /nfs/dbraw/zinc/31/84/21/1040318421.db2.gz DNFXUMTUCQOWQJ-SGZDXZSOSA-N 1 0 339.483 4.225 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc(OC)c1O ZINC000425364074 1040335579 /nfs/dbraw/zinc/33/55/79/1040335579.db2.gz DUDAXSUNJYEDRQ-OAHLLOKOSA-N 1 0 336.435 4.194 20 30 EIEDRO CCOCc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000425366160 1040342035 /nfs/dbraw/zinc/34/20/35/1040342035.db2.gz OJOABHNMBAZFQW-MRXNPFEDSA-N 1 0 338.451 4.296 20 30 EIEDRO CCCC[C@@H](CC)C[NH2+][C@@]12CC[C@@](NC(=O)CCS)(C1)CCC2 ZINC001269953353 1040361492 /nfs/dbraw/zinc/36/14/92/1040361492.db2.gz OFDBKWIVKKUXHQ-NZSAHSFTSA-N 1 0 340.577 4.074 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482628605 1040395201 /nfs/dbraw/zinc/39/52/01/1040395201.db2.gz LCPYIOJWDHLOIK-QUCCMNQESA-N 1 0 346.490 4.101 20 30 EIEDRO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000482639517 1040401640 /nfs/dbraw/zinc/40/16/40/1040401640.db2.gz GHUCYKKPRDIYNO-HNNXBMFYSA-N 1 0 336.907 4.430 20 30 EIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000515088908 1040473022 /nfs/dbraw/zinc/47/30/22/1040473022.db2.gz CIKIDYUFKWVKHO-OAHLLOKOSA-N 1 0 328.431 4.054 20 30 EIEDRO CC[N@H+](Cc1ccc(-n2cccn2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000479563407 1040478010 /nfs/dbraw/zinc/47/80/10/1040478010.db2.gz BQIXCOKAJAAKKI-QGZVFWFLSA-N 1 0 330.435 4.327 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)cc1 ZINC000539497714 1040488982 /nfs/dbraw/zinc/48/89/82/1040488982.db2.gz RXADZRSCFJJAAL-RZUBCFFCSA-N 1 0 337.511 4.081 20 30 EIEDRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551803008 1040596627 /nfs/dbraw/zinc/59/66/27/1040596627.db2.gz CTEPJYAWSKJIBK-SIKLNZKXSA-N 1 0 344.462 4.255 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(-c2ccc(C)cc2)s1 ZINC000435743144 1040596967 /nfs/dbraw/zinc/59/69/67/1040596967.db2.gz YUZUCCNPSSULKP-WMZOPIPTSA-N 1 0 328.481 4.189 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000435745497 1040598466 /nfs/dbraw/zinc/59/84/66/1040598466.db2.gz NHESQYAMOGTVCM-IUODEOHRSA-N 1 0 344.680 4.173 20 30 EIEDRO CC(C)OCc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000539608542 1040605017 /nfs/dbraw/zinc/60/50/17/1040605017.db2.gz QVBWHTVYGQOQOS-OAHLLOKOSA-N 1 0 326.415 4.473 20 30 EIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609054 1040606713 /nfs/dbraw/zinc/60/67/13/1040606713.db2.gz BZIWNHQHEDFWML-GQIGUUNPSA-N 1 0 337.442 4.011 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000539609373 1040608145 /nfs/dbraw/zinc/60/81/45/1040608145.db2.gz FNSDESNLNMNTHS-KSSFIOAISA-N 1 0 329.419 4.024 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000667029013 1040732356 /nfs/dbraw/zinc/73/23/56/1040732356.db2.gz NDPVMFVVEFAYAU-MRXNPFEDSA-N 1 0 329.488 4.047 20 30 EIEDRO N#Cc1c(Cl)cccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000213311551 1040739090 /nfs/dbraw/zinc/73/90/90/1040739090.db2.gz IGXXBFBHWGHYSV-UHFFFAOYSA-N 1 0 325.843 4.288 20 30 EIEDRO C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC(C)(C)CCC#N ZINC000554078598 1040785281 /nfs/dbraw/zinc/78/52/81/1040785281.db2.gz XSLORYOVATUOIC-LBPRGKRZSA-N 1 0 341.268 4.439 20 30 EIEDRO C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000483291736 1040807849 /nfs/dbraw/zinc/80/78/49/1040807849.db2.gz RMAYHVUVVPGXTJ-FZKQIMNGSA-N 1 0 347.384 4.499 20 30 EIEDRO C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000483291740 1040808719 /nfs/dbraw/zinc/80/87/19/1040808719.db2.gz RMAYHVUVVPGXTJ-UGSOOPFHSA-N 1 0 347.384 4.499 20 30 EIEDRO C[N@H+](Cc1ccc[nH]1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000539821073 1040817758 /nfs/dbraw/zinc/81/77/58/1040817758.db2.gz XCIHCQQEEMOXKO-UHFFFAOYSA-N 1 0 331.419 4.097 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(OC)cc2)c1 ZINC000537868331 1040863579 /nfs/dbraw/zinc/86/35/79/1040863579.db2.gz NXUPVIAGYDRIRB-KKSFZXQISA-N 1 0 341.451 4.126 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2F)cc1OC ZINC000462747009 1040894396 /nfs/dbraw/zinc/89/43/96/1040894396.db2.gz SYJAWENQGOCANH-CQSZACIVSA-N 1 0 347.405 4.432 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCc3sccc32)cc(OC)c1O ZINC000160988907 1040898477 /nfs/dbraw/zinc/89/84/77/1040898477.db2.gz YVNZNZJABSUBTE-MRXNPFEDSA-N 1 0 329.465 4.358 20 30 EIEDRO CC(C)[C@H](O)C(C)(C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000537942691 1040908790 /nfs/dbraw/zinc/90/87/90/1040908790.db2.gz LPMYWTONNQPLNB-SCCNAQOGSA-N 1 0 328.500 4.023 20 30 EIEDRO C[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)Cc1cccc(C#N)c1 ZINC000462791263 1040941098 /nfs/dbraw/zinc/94/10/98/1040941098.db2.gz RHFBDTNIRRUJSL-UHFFFAOYSA-N 1 0 336.435 4.146 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(Cl)c(F)c1)c1ccc(C#N)cc1F ZINC000483700869 1040967315 /nfs/dbraw/zinc/96/73/15/1040967315.db2.gz LODYJMORKXBCAO-NSHDSACASA-N 1 0 336.769 4.219 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000462817752 1040994297 /nfs/dbraw/zinc/99/42/97/1040994297.db2.gz UOOMYINEAJKRDF-HOCLYGCPSA-N 1 0 341.405 4.014 20 30 EIEDRO CCN(Cc1ccc(F)cc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000505782178 1041016671 /nfs/dbraw/zinc/01/66/71/1041016671.db2.gz IEPMMDAYFWQRCP-AWEZNQCLSA-N 1 0 340.398 4.067 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000436280981 1041025630 /nfs/dbraw/zinc/02/56/30/1041025630.db2.gz CSYAYSPACDIGHC-KMFMINBZSA-N 1 0 325.399 4.310 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)cc(Br)c1 ZINC000554364914 1041041932 /nfs/dbraw/zinc/04/19/32/1041041932.db2.gz SRKSMBGQYOVJMJ-INIZCTEOSA-N 1 0 348.219 4.096 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000436291311 1041057213 /nfs/dbraw/zinc/05/72/13/1041057213.db2.gz LMFZVOVCSYORKO-RBOXIYTFSA-N 1 0 342.252 4.220 20 30 EIEDRO C[C@H](NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1F ZINC000436300387 1041068402 /nfs/dbraw/zinc/06/84/02/1041068402.db2.gz LZRSZJUMPFHNLU-MAUKXSAKSA-N 1 0 329.463 4.145 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000436312721 1041077325 /nfs/dbraw/zinc/07/73/25/1041077325.db2.gz VNEUBXINRVCQEP-NUTKFTJISA-N 1 0 340.389 4.049 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000436314372 1041082349 /nfs/dbraw/zinc/08/23/49/1041082349.db2.gz NDULMMWYDJRACK-NYVOZVTQSA-N 1 0 348.446 4.488 20 30 EIEDRO N#Cc1cccc(Cl)c1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000462918816 1041097923 /nfs/dbraw/zinc/09/79/23/1041097923.db2.gz GEMICTUBTVUUFG-SFHVURJKSA-N 1 0 325.843 4.461 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1F ZINC000484071080 1041104434 /nfs/dbraw/zinc/10/44/34/1041104434.db2.gz RPFQGPMQSLVSBK-UHFFFAOYSA-N 1 0 334.316 4.495 20 30 EIEDRO Fc1ccc2nc([C@H]3CCC[N@H+](CC#Cc4ccccc4)C3)oc2c1 ZINC000484093484 1041115429 /nfs/dbraw/zinc/11/54/29/1041115429.db2.gz NHIDBJYEJBSCDT-KRWDZBQOSA-N 1 0 334.394 4.198 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]CC#Cc2ccccc2)cc1 ZINC000484084982 1041121488 /nfs/dbraw/zinc/12/14/88/1041121488.db2.gz TVUSEXLVGSWUBA-KRWDZBQOSA-N 1 0 325.477 4.127 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000538204854 1041140056 /nfs/dbraw/zinc/14/00/56/1041140056.db2.gz PPZDDVXKNSSSOT-CQSZACIVSA-N 1 0 344.455 4.287 20 30 EIEDRO Cn1cc(C[NH2+]CCc2ccc(Oc3ccc(F)cc3)cc2)cc1C#N ZINC000480277785 1041174168 /nfs/dbraw/zinc/17/41/68/1041174168.db2.gz LZYNJBAZDPRPKR-UHFFFAOYSA-N 1 0 349.409 4.160 20 30 EIEDRO C=CCCC(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000538219177 1041180040 /nfs/dbraw/zinc/18/00/40/1041180040.db2.gz CHBJDNVUYBEFJH-HXUWFJFHSA-N 1 0 344.499 4.371 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 ZINC000538223833 1041185756 /nfs/dbraw/zinc/18/57/56/1041185756.db2.gz CUPUURAXLNRHOV-LJQANCHMSA-N 1 0 339.414 4.013 20 30 EIEDRO CCOc1ccc(C(C)=O)cc1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536645 1041210920 /nfs/dbraw/zinc/21/09/20/1041210920.db2.gz PBKQCSGFJGBGAI-HNNXBMFYSA-N 1 0 336.435 4.353 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Br)s1 ZINC000436416755 1041218922 /nfs/dbraw/zinc/21/89/22/1041218922.db2.gz YDFUKVHKYFXDNP-QMMMGPOBSA-N 1 0 327.272 4.295 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000484350397 1041219127 /nfs/dbraw/zinc/21/91/27/1041219127.db2.gz LUEIVMMYWZBHSV-HUUCEWRRSA-N 1 0 347.418 4.291 20 30 EIEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(Cl)cccc1C#N ZINC000463062607 1041295836 /nfs/dbraw/zinc/29/58/36/1041295836.db2.gz ATFJZCZEHPHVDQ-QGZVFWFLSA-N 1 0 339.870 4.170 20 30 EIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000538398903 1041296358 /nfs/dbraw/zinc/29/63/58/1041296358.db2.gz WZTRWOXKJMSMRI-JTSKRJEESA-N 1 0 333.479 4.046 20 30 EIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538397988 1041315604 /nfs/dbraw/zinc/31/56/04/1041315604.db2.gz IKIBLHFSHOGATD-CTNGQTDRSA-N 1 0 325.500 4.081 20 30 EIEDRO CCOc1ccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OCC ZINC000538397916 1041315886 /nfs/dbraw/zinc/31/58/86/1041315886.db2.gz FHEJRGQFRACYBT-INIZCTEOSA-N 1 0 338.451 4.249 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(C#N)c(F)c1 ZINC000538502521 1041381267 /nfs/dbraw/zinc/38/12/67/1041381267.db2.gz XSMYRLPFDQYTMW-KKSFZXQISA-N 1 0 337.442 4.185 20 30 EIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000554745742 1041385814 /nfs/dbraw/zinc/38/58/14/1041385814.db2.gz LNZJSYUGTRYEQO-GASCZTMLSA-N 1 0 326.362 4.120 20 30 EIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC#Cc2ccccc2Cl)c1 ZINC000540330661 1041389078 /nfs/dbraw/zinc/38/90/78/1041389078.db2.gz WSTVADDILLDPFE-AWEZNQCLSA-N 1 0 326.827 4.001 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538508227 1041396290 /nfs/dbraw/zinc/39/62/90/1041396290.db2.gz CVLSVQFQGWJZGL-TWOQFEAHSA-N 1 0 337.442 4.183 20 30 EIEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cc1 ZINC000554787780 1041400376 /nfs/dbraw/zinc/40/03/76/1041400376.db2.gz CSRZIWFYSMBEQU-NRFANRHFSA-N 1 0 341.499 4.121 20 30 EIEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000538581476 1041432739 /nfs/dbraw/zinc/43/27/39/1041432739.db2.gz PRIHJMMEHAKOFL-LBPRGKRZSA-N 1 0 334.872 4.021 20 30 EIEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463244793 1041451060 /nfs/dbraw/zinc/45/10/60/1041451060.db2.gz VUWXJGMRHBJVSA-JMSVASOKSA-N 1 0 339.252 4.191 20 30 EIEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463244794 1041451190 /nfs/dbraw/zinc/45/11/90/1041451190.db2.gz VUWXJGMRHBJVSA-LALPHHSUSA-N 1 0 339.252 4.191 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000463244912 1041451253 /nfs/dbraw/zinc/45/12/53/1041451253.db2.gz ZYRHASMDUVROOA-MCIONIFRSA-N 1 0 338.282 4.244 20 30 EIEDRO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463281483 1041471603 /nfs/dbraw/zinc/47/16/03/1041471603.db2.gz KSMVQQSLSAOLFB-YYWHXJBOSA-N 1 0 339.527 4.131 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1Br)c1ccccc1 ZINC000480681177 1041477978 /nfs/dbraw/zinc/47/79/78/1041477978.db2.gz GVIDEKMQDMGJGR-UHFFFAOYSA-N 1 0 329.241 4.346 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000463301256 1041484827 /nfs/dbraw/zinc/48/48/27/1041484827.db2.gz OWJHRKCHWBELBD-IIDMSEBBSA-N 1 0 349.881 4.288 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC(OCCCC)CC2)ccc1OC ZINC000538722226 1041492120 /nfs/dbraw/zinc/49/21/20/1041492120.db2.gz DQBLITKOFQRPPS-UHFFFAOYSA-N 1 0 347.499 4.431 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000904477476 1041499255 /nfs/dbraw/zinc/49/92/55/1041499255.db2.gz XXNYNOYGSIPAIE-LJQANCHMSA-N 1 0 341.499 4.321 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN(CCO)[C@H]1CCCc2ccccc21 ZINC000480742693 1041513247 /nfs/dbraw/zinc/51/32/47/1041513247.db2.gz RYLCCUCDOQTGSK-FQEVSTJZSA-N 1 0 340.854 4.084 20 30 EIEDRO CCCC[C@@H](CCC)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540593663 1041551402 /nfs/dbraw/zinc/55/14/02/1041551402.db2.gz NAFOSGLNHOBYNO-HXUWFJFHSA-N 1 0 327.516 4.471 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)s1 ZINC000540595672 1041553139 /nfs/dbraw/zinc/55/31/39/1041553139.db2.gz NYNJPJSWQCZQRA-UHFFFAOYSA-N 1 0 327.453 4.016 20 30 EIEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540606621 1041561374 /nfs/dbraw/zinc/56/13/74/1041561374.db2.gz OJMLCLUOEWMMGT-HXOBKFHXSA-N 1 0 345.490 4.046 20 30 EIEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1(C)C ZINC000540609753 1041562990 /nfs/dbraw/zinc/56/29/90/1041562990.db2.gz ZHIWDEUDQKYIDG-OPTGKZCPSA-N 1 0 326.484 4.040 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000540646121 1041585666 /nfs/dbraw/zinc/58/56/66/1041585666.db2.gz CIDYKAXEPVGVDB-CYBMUJFWSA-N 1 0 330.453 4.373 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(C)(C)C#N ZINC000540665581 1041592684 /nfs/dbraw/zinc/59/26/84/1041592684.db2.gz RPTISIQZFVRWEY-UHFFFAOYSA-N 1 0 328.435 4.020 20 30 EIEDRO N#Cc1cccc(C[NH2+]CCOCc2ccc(Cl)cc2Cl)c1 ZINC000540687404 1041597612 /nfs/dbraw/zinc/59/76/12/1041597612.db2.gz HLJBORAHFKLDKM-UHFFFAOYSA-N 1 0 335.234 4.171 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000540702637 1041603951 /nfs/dbraw/zinc/60/39/51/1041603951.db2.gz YAXYTZMDTRSDAN-UEXGIBASSA-N 1 0 336.479 4.427 20 30 EIEDRO C[C@H](CCN[C@@H](C)c1ccc(C#N)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000540708111 1041607739 /nfs/dbraw/zinc/60/77/39/1041607739.db2.gz SYENMJCCLNFJRQ-SJORKVTESA-N 1 0 339.458 4.259 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000540708434 1041608192 /nfs/dbraw/zinc/60/81/92/1041608192.db2.gz UHAAPTRWMQFPLD-YJYMSZOUSA-N 1 0 326.440 4.379 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000437081586 1041630372 /nfs/dbraw/zinc/63/03/72/1041630372.db2.gz YFOWYRQFDCPSPS-OTBHMBEGSA-N 1 0 339.483 4.202 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H](C)c1ccccc1 ZINC000437099414 1041643416 /nfs/dbraw/zinc/64/34/16/1041643416.db2.gz RKRCKHHUJWJOSV-UUBYJMPYSA-N 1 0 349.478 4.425 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC(Oc3ncccc3C#N)CC1)CC2 ZINC000437085932 1041647455 /nfs/dbraw/zinc/64/74/55/1041647455.db2.gz PWOPRAWHVJQKTO-GRERDSQWSA-N 1 0 347.462 4.229 20 30 EIEDRO CC[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000437111995 1041655173 /nfs/dbraw/zinc/65/51/73/1041655173.db2.gz RZERFQPAVLFBIK-SOAGJPPSSA-N 1 0 335.451 4.384 20 30 EIEDRO C=CCNC(=O)C[NH2+][C@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000540778389 1041664418 /nfs/dbraw/zinc/66/44/18/1041664418.db2.gz GJWGADNHVZLFOJ-GFCCVEGCSA-N 1 0 334.872 4.021 20 30 EIEDRO Cn1cc(C[NH2+]CCC2=CCCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000463698313 1041710714 /nfs/dbraw/zinc/71/07/14/1041710714.db2.gz MCUPCBFEBAPLLF-UHFFFAOYSA-N 1 0 334.467 4.329 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C3CCC3)c2)CC1 ZINC000463840739 1041776824 /nfs/dbraw/zinc/77/68/24/1041776824.db2.gz JEHHGCSQPFHXIU-UHFFFAOYSA-N 1 0 327.472 4.116 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(CO)o1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541064082 1041801522 /nfs/dbraw/zinc/80/15/22/1041801522.db2.gz BUGDQEHOTRSMFX-OAHLLOKOSA-N 1 0 332.403 4.161 20 30 EIEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)cc1 ZINC000541280675 1041872474 /nfs/dbraw/zinc/87/24/74/1041872474.db2.gz HRZNIFIAZPQRKR-QGZVFWFLSA-N 1 0 349.409 4.413 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000517338038 1041963639 /nfs/dbraw/zinc/96/36/39/1041963639.db2.gz BHYWPTFBSVMUJW-GOSISDBHSA-N 1 0 334.448 4.177 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549996668 1041973283 /nfs/dbraw/zinc/97/32/83/1041973283.db2.gz IFUDRGZLVKUIAU-OYYCAODRSA-N 1 0 349.881 4.285 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000517417271 1042010685 /nfs/dbraw/zinc/01/06/85/1042010685.db2.gz KDRZJSDTGCJEBX-CALCHBBNSA-N 1 0 345.487 4.026 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000517417272 1042011037 /nfs/dbraw/zinc/01/10/37/1042011037.db2.gz KDRZJSDTGCJEBX-IAGOWNOFSA-N 1 0 345.487 4.026 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000464439479 1042018162 /nfs/dbraw/zinc/01/81/62/1042018162.db2.gz UDPYPHKMGHPBPG-GOSISDBHSA-N 1 0 328.500 4.137 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)c(OC(F)F)c1 ZINC000541614683 1042037743 /nfs/dbraw/zinc/03/77/43/1042037743.db2.gz SLRVHCKDFPWGTI-GOSISDBHSA-N 1 0 342.389 4.271 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000464564996 1042065247 /nfs/dbraw/zinc/06/52/47/1042065247.db2.gz ZPSDZDPBECREEL-IAGOWNOFSA-N 1 0 334.529 4.240 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](COc2ccccc2)c2ccccc2)cc1 ZINC000517559103 1042073912 /nfs/dbraw/zinc/07/39/12/1042073912.db2.gz ROONATLJPNCRQF-JOCHJYFZSA-N 1 0 328.415 4.468 20 30 EIEDRO N#Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000541756668 1042093977 /nfs/dbraw/zinc/09/39/77/1042093977.db2.gz SQKROZBFJRQQSX-UHFFFAOYSA-N 1 0 339.826 4.060 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000464644193 1042096034 /nfs/dbraw/zinc/09/60/34/1042096034.db2.gz QRWOIGWQMCIBDN-GOSISDBHSA-N 1 0 328.500 4.281 20 30 EIEDRO N#Cc1ccc(OCC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000464778956 1042160207 /nfs/dbraw/zinc/16/02/07/1042160207.db2.gz XDVUCTVMSQMKAI-GOSISDBHSA-N 1 0 338.476 4.051 20 30 EIEDRO COc1cc(C#N)ccc1C[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000595877451 1042167487 /nfs/dbraw/zinc/16/74/87/1042167487.db2.gz HQXKJOSSOPJDBB-UHFFFAOYSA-N 1 0 346.430 4.007 20 30 EIEDRO Cc1cc(C)cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000438482085 1042202719 /nfs/dbraw/zinc/20/27/19/1042202719.db2.gz KABVMKMERQQIEZ-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(Cl)ccc1C#N ZINC000383071740 1042215444 /nfs/dbraw/zinc/21/54/44/1042215444.db2.gz NWKBJPYMJGHSFG-QGZVFWFLSA-N 1 0 339.870 4.170 20 30 EIEDRO CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc2ccccc2c1 ZINC000517859144 1042228061 /nfs/dbraw/zinc/22/80/61/1042228061.db2.gz JLKQXBILPYHEJY-UHFFFAOYSA-N 1 0 349.478 4.004 20 30 EIEDRO Cc1cc(C)c(C#N)c(NC2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000443693710 1042279802 /nfs/dbraw/zinc/27/98/02/1042279802.db2.gz QCRVFVVXCLYPPK-UHFFFAOYSA-N 1 0 326.488 4.025 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)CC2 ZINC000518015875 1042312623 /nfs/dbraw/zinc/31/26/23/1042312623.db2.gz ZJTNVUFXKLNYEN-KRWDZBQOSA-N 1 0 346.352 4.233 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)C)c(C#N)c1C ZINC000438718637 1042316510 /nfs/dbraw/zinc/31/65/10/1042316510.db2.gz BBPSNTNBOJORHM-SFHVURJKSA-N 1 0 339.439 4.084 20 30 EIEDRO CCN(Cc1ccc(CC#N)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000542282683 1042368944 /nfs/dbraw/zinc/36/89/44/1042368944.db2.gz ZJUSIFWSPXIVGX-CVDCTZTESA-N 1 0 347.506 4.410 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccc(OCc2cccnc2)cc1 ZINC000491422017 1042445058 /nfs/dbraw/zinc/44/50/58/1042445058.db2.gz GNOKHGUKHSFUHA-UHFFFAOYSA-N 1 0 348.446 4.484 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCOC1)C1CC1 ZINC000438981009 1042451311 /nfs/dbraw/zinc/45/13/11/1042451311.db2.gz TVZLDXFUXYQUJV-YLJYHZDGSA-N 1 0 329.484 4.245 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)c(Br)c1 ZINC000549868517 1042455382 /nfs/dbraw/zinc/45/53/82/1042455382.db2.gz XMLHWBSQHPAMTO-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000549928738 1042492171 /nfs/dbraw/zinc/49/21/71/1042492171.db2.gz ZOKJXNBBLXZDCU-LLVKDONJSA-N 1 0 349.312 4.336 20 30 EIEDRO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000271934168 1042535364 /nfs/dbraw/zinc/53/53/64/1042535364.db2.gz METPKSQIOYERSU-KKSFZXQISA-N 1 0 337.442 4.185 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccccc3Br)CC2)C1 ZINC000426298793 1042537418 /nfs/dbraw/zinc/53/74/18/1042537418.db2.gz PLDCHDZYDKPNKP-UKRRQHHQSA-N 1 0 333.273 4.196 20 30 EIEDRO C#CCCCC[NH2+][C@H](C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000090397600 1042539427 /nfs/dbraw/zinc/53/94/27/1042539427.db2.gz SVTVVIOQDZPXEU-SJLPKXTDSA-N 1 0 333.447 4.228 20 30 EIEDRO N#Cc1ccc2ncc(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](c3ccccc3)C4)n2c1 ZINC000518543693 1042564196 /nfs/dbraw/zinc/56/41/96/1042564196.db2.gz RMMBMEDXMYVSOF-ACDBMABISA-N 1 0 342.446 4.117 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271960293 1042565298 /nfs/dbraw/zinc/56/52/98/1042565298.db2.gz QYWIYXFIAFHUOT-SYURPWHHSA-N 1 0 346.352 4.156 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000439454537 1042636290 /nfs/dbraw/zinc/63/62/90/1042636290.db2.gz RXYZMNMPCIPLCW-HXUWFJFHSA-N 1 0 340.854 4.084 20 30 EIEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000518770249 1042684536 /nfs/dbraw/zinc/68/45/36/1042684536.db2.gz FSLDGKGCGCAUFL-QZTJIDSGSA-N 1 0 330.472 4.436 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccnc(O[C@H](C)CC(C)C)c2)ccc1C#N ZINC000443963169 1042686707 /nfs/dbraw/zinc/68/67/07/1042686707.db2.gz SOGGKNFMNAGMQD-QGZVFWFLSA-N 1 0 337.467 4.365 20 30 EIEDRO C=CCOc1ccc(C[N@H+](Cc2cccs2)C2CC2)cc1OC ZINC000506618773 1042698806 /nfs/dbraw/zinc/69/88/06/1042698806.db2.gz UXVUTZUSGTYMIN-UHFFFAOYSA-N 1 0 329.465 4.486 20 30 EIEDRO CC(C)(C#N)CCC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000174814913 1042714548 /nfs/dbraw/zinc/71/45/48/1042714548.db2.gz NXQHPOPQZMCQSD-UHFFFAOYSA-N 1 0 333.907 4.178 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)ccc1C#N ZINC000443983384 1042718640 /nfs/dbraw/zinc/71/86/40/1042718640.db2.gz HJXQFURJFCGUQH-UHFFFAOYSA-N 1 0 335.451 4.263 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cc(Br)ccc2C)ccc1C#N ZINC000444001232 1042743903 /nfs/dbraw/zinc/74/39/03/1042743903.db2.gz XRMKZMAIGUZROU-UHFFFAOYSA-N 1 0 329.241 4.227 20 30 EIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000492787995 1042750426 /nfs/dbraw/zinc/75/04/26/1042750426.db2.gz GUJNZPUIGMAQEJ-QGZVFWFLSA-N 1 0 341.252 4.138 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]2CCCC2(C)C)c1 ZINC000492938296 1042771654 /nfs/dbraw/zinc/77/16/54/1042771654.db2.gz UONHBOVFGDHHLM-MJGOQNOKSA-N 1 0 341.499 4.107 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccsc1 ZINC000165679830 1042879689 /nfs/dbraw/zinc/87/96/89/1042879689.db2.gz YMNXLLXUDGCXOU-KRWDZBQOSA-N 1 0 344.440 4.023 20 30 EIEDRO Cc1ccc2c(CC[NH2+]Cc3ccc(N(C)CCC#N)cc3)c[nH]c2c1 ZINC000237204119 1042925369 /nfs/dbraw/zinc/92/53/69/1042925369.db2.gz SJDCJUZSAKICMC-UHFFFAOYSA-N 1 0 346.478 4.159 20 30 EIEDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000237204077 1042925753 /nfs/dbraw/zinc/92/57/53/1042925753.db2.gz ISBNXICJAYYTTI-UHFFFAOYSA-N 1 0 346.478 4.159 20 30 EIEDRO CC(C)(C)OC1CC([NH2+]C2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000494067019 1043011769 /nfs/dbraw/zinc/01/17/69/1043011769.db2.gz UHFBJMXCGHJGLZ-UHFFFAOYSA-N 1 0 342.483 4.184 20 30 EIEDRO CSCc1cc(F)ccc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000152959055 1043033463 /nfs/dbraw/zinc/03/34/63/1043033463.db2.gz XIRKCCHAMSHAHA-CQSZACIVSA-N 1 0 344.455 4.269 20 30 EIEDRO C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000487399096 1043045437 /nfs/dbraw/zinc/04/54/37/1043045437.db2.gz QZBADZFDRQVDQD-LAUBAEHRSA-N 1 0 334.463 4.450 20 30 EIEDRO N#CCC1(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000430739301 1043070576 /nfs/dbraw/zinc/07/05/76/1043070576.db2.gz HQWLXEFRSDZTQB-HNNXBMFYSA-N 1 0 337.236 4.323 20 30 EIEDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000184453209 1043098636 /nfs/dbraw/zinc/09/86/36/1043098636.db2.gz JZXGCKQPJYAPKX-KRWDZBQOSA-N 1 0 342.483 4.041 20 30 EIEDRO C=CCC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000427645191 1043105091 /nfs/dbraw/zinc/10/50/91/1043105091.db2.gz MHFJYHRHDXTBPV-FDFHNCONSA-N 1 0 348.490 4.298 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c(F)c1 ZINC000132302177 1043132203 /nfs/dbraw/zinc/13/22/03/1043132203.db2.gz GZVZMRCWVJVUEP-UHFFFAOYSA-N 1 0 342.389 4.018 20 30 EIEDRO C=CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000427659546 1043146877 /nfs/dbraw/zinc/14/68/77/1043146877.db2.gz JZXNGCOHWHWONT-TZIWHRDSSA-N 1 0 342.527 4.221 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)cc1 ZINC000282462474 1043151153 /nfs/dbraw/zinc/15/11/53/1043151153.db2.gz OPRBMWRLPNEABM-RDTXWAMCSA-N 1 0 345.874 4.280 20 30 EIEDRO CSc1ccc2c(c1)C(=O)/C(=C\c1ncc(CN(C)C)s1)CC2 ZINC000843274279 1043160825 /nfs/dbraw/zinc/16/08/25/1043160825.db2.gz VQDXMMFTFDMMIY-JYRVWZFOSA-N 1 0 344.505 4.139 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCC[C@H]3Cc3ccccc3)n2c1 ZINC000556594693 1043180758 /nfs/dbraw/zinc/18/07/58/1043180758.db2.gz GLTVDPKDMKMPPS-PZJWPPBQSA-N 1 0 344.462 4.097 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@@H]1OCCc2sccc21 ZINC000429169548 1043183649 /nfs/dbraw/zinc/18/36/49/1043183649.db2.gz BEAPIEHKANFINW-UGSOOPFHSA-N 1 0 331.868 4.045 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000507938633 1043194025 /nfs/dbraw/zinc/19/40/25/1043194025.db2.gz RZIWNKQUGCFENF-UHFFFAOYSA-N 1 0 345.483 4.242 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000185804612 1043219818 /nfs/dbraw/zinc/21/98/18/1043219818.db2.gz LUHZILCYKFUUEJ-MFKMUULPSA-N 1 0 327.653 4.274 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000185804557 1043220446 /nfs/dbraw/zinc/22/04/46/1043220446.db2.gz LUHZILCYKFUUEJ-GXFFZTMASA-N 1 0 327.653 4.274 20 30 EIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2nncc3ccccc32)CC1 ZINC000733901938 1043261190 /nfs/dbraw/zinc/26/11/90/1043261190.db2.gz JANDXURLSIRULB-DNVCBOLYSA-N 1 0 337.471 4.072 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000508081204 1043261935 /nfs/dbraw/zinc/26/19/35/1043261935.db2.gz XFADKWCKWMPYMH-HXUWFJFHSA-N 1 0 340.467 4.080 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2csc(-c3ccc(C)cc3)n2)CC1 ZINC000113338754 1043268106 /nfs/dbraw/zinc/26/81/06/1043268106.db2.gz ZSYCKYMOAXQMLV-UHFFFAOYSA-N 1 0 341.524 4.249 20 30 EIEDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cc(C#N)ccc1Br ZINC000921999063 1043286723 /nfs/dbraw/zinc/28/67/23/1043286723.db2.gz IWQDFMSQOPXLBT-LLVKDONJSA-N 1 0 335.167 4.141 20 30 EIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000323087210 1043289228 /nfs/dbraw/zinc/28/92/28/1043289228.db2.gz IMLFKVYHSDWTDY-CQSZACIVSA-N 1 0 328.843 4.283 20 30 EIEDRO C=CCn1c(=S)n(C[N@H+](CC2CC2)C2CCCCC2)nc1C1CC1 ZINC000727825510 1043316510 /nfs/dbraw/zinc/31/65/10/1043316510.db2.gz QNPVSAIRTOXSTG-UHFFFAOYSA-N 1 0 346.544 4.480 20 30 EIEDRO C=CC[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1CC1 ZINC000428069331 1043317608 /nfs/dbraw/zinc/31/76/08/1043317608.db2.gz GPDRTIZZEJYDHX-UHFFFAOYSA-N 1 0 335.373 4.101 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(c3ncccc3Cl)CC2)cc1 ZINC000429210418 1043334787 /nfs/dbraw/zinc/33/47/87/1043334787.db2.gz SOLMPVGAVCPBNC-UHFFFAOYSA-N 1 0 325.843 4.181 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)-c2ccccc2C3)CC1 ZINC000729975589 1043422613 /nfs/dbraw/zinc/42/26/13/1043422613.db2.gz PKWZSGUFCICINU-UHFFFAOYSA-N 1 0 346.474 4.028 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc4ccccc4o3)C2)c(F)c1 ZINC000520993613 1043487944 /nfs/dbraw/zinc/48/79/44/1043487944.db2.gz PBELQCWRMXBQGJ-KRWDZBQOSA-N 1 0 349.409 4.202 20 30 EIEDRO Cc1nc(C(C)C)oc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000428245278 1043513513 /nfs/dbraw/zinc/51/35/13/1043513513.db2.gz JJOBLQJTZPYGGJ-UHFFFAOYSA-N 1 0 339.439 4.022 20 30 EIEDRO N#CC1(CCC[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCOCC1 ZINC000499639333 1043586450 /nfs/dbraw/zinc/58/64/50/1043586450.db2.gz AFAQUYNJXOKZIH-VQTJNVASSA-N 1 0 326.484 4.403 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCc2cccnc2)Cc2cccc(F)c2)cc1 ZINC000172075288 1043706894 /nfs/dbraw/zinc/70/68/94/1043706894.db2.gz FYDJNNYSLKNEJT-UHFFFAOYSA-N 1 0 345.421 4.337 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1 ZINC000731212736 1043715033 /nfs/dbraw/zinc/71/50/33/1043715033.db2.gz DLCONMTVSHSNHL-UHFFFAOYSA-N 1 0 342.389 4.247 20 30 EIEDRO C=C(C)CC[NH2+][C@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639225911 1043728161 /nfs/dbraw/zinc/72/81/61/1043728161.db2.gz BAYWGEDTVLEOEV-DLBZAZTESA-N 1 0 337.305 4.140 20 30 EIEDRO C=C1CC(C)(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC001626102467 1043731151 /nfs/dbraw/zinc/73/11/51/1043731151.db2.gz NATFUQZZVLCSMB-UHFFFAOYSA-N 1 0 326.484 4.035 20 30 EIEDRO N#Cc1c(Cl)nsc1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000731479714 1043773724 /nfs/dbraw/zinc/77/37/24/1043773724.db2.gz PDWHLCPKZNQRNS-CYBMUJFWSA-N 1 0 338.908 4.125 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000191461444 1043818971 /nfs/dbraw/zinc/81/89/71/1043818971.db2.gz MPSJLQULJZLLJE-LJQANCHMSA-N 1 0 343.515 4.342 20 30 EIEDRO CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000442719567 1043821838 /nfs/dbraw/zinc/82/18/38/1043821838.db2.gz QISCUCKPEFRQBE-NVXWUHKLSA-N 1 0 337.423 4.054 20 30 EIEDRO CCc1nc([C@H](C)/[NH+]=C/c2ccc(N(CC)CC)cc2O)cs1 ZINC000731937570 1043851261 /nfs/dbraw/zinc/85/12/61/1043851261.db2.gz KJPGIEIEBUWHFF-MDBUFAAASA-N 1 0 331.485 4.437 20 30 EIEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000439055588 1043856727 /nfs/dbraw/zinc/85/67/27/1043856727.db2.gz FJWDPRNBFYBNNC-INIZCTEOSA-N 1 0 347.462 4.351 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000442871688 1043871374 /nfs/dbraw/zinc/87/13/74/1043871374.db2.gz MHKMMWHVYTVIKZ-MJGOQNOKSA-N 1 0 334.891 4.195 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC000766072387 1043879409 /nfs/dbraw/zinc/87/94/09/1043879409.db2.gz HZKVZQYMCIMHPO-QRFRQXIXSA-N 1 0 329.484 4.191 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCO[C@@H](c2cccs2)C1 ZINC000922163070 1043927448 /nfs/dbraw/zinc/92/74/48/1043927448.db2.gz ZBDZLRBLBIAYNI-FUHWJXTLSA-N 1 0 326.465 4.247 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)s1 ZINC000442991780 1043937293 /nfs/dbraw/zinc/93/72/93/1043937293.db2.gz MHTSTZUHASJTNA-MRVPVSSYSA-N 1 0 327.272 4.295 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000821965705 1044024942 /nfs/dbraw/zinc/02/49/42/1044024942.db2.gz SQHQZRXYAOPGKL-UHFFFAOYSA-N 1 0 343.452 4.257 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Br)cc1F ZINC000467447121 1044035605 /nfs/dbraw/zinc/03/56/05/1044035605.db2.gz RODQSSPEMRYFSX-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cccc(C#N)c2)cc1OCC ZINC000467447040 1044035847 /nfs/dbraw/zinc/03/58/47/1044035847.db2.gz YQZWQCMWZBIJKY-MRXNPFEDSA-N 1 0 338.451 4.249 20 30 EIEDRO COc1ccnc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000543186204 1044075730 /nfs/dbraw/zinc/07/57/30/1044075730.db2.gz UGIYZKMFPHXSGP-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO C=CCN(C(=O)NCc1ccccc1C[NH+]1CCCCCC1)C(C)C ZINC000733042333 1044080952 /nfs/dbraw/zinc/08/09/52/1044080952.db2.gz KVOYCKLJBCJDPK-UHFFFAOYSA-N 1 0 343.515 4.169 20 30 EIEDRO N#CC1CCC(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000367044031 1044136304 /nfs/dbraw/zinc/13/63/04/1044136304.db2.gz TZQULISWICWMGJ-UHFFFAOYSA-N 1 0 345.918 4.224 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3cnccc3c2)c1 ZINC000785468084 1044151641 /nfs/dbraw/zinc/15/16/41/1044151641.db2.gz HIHHQZIMFSKTAY-FQEVSTJZSA-N 1 0 331.419 4.206 20 30 EIEDRO COc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000173801337 1044159205 /nfs/dbraw/zinc/15/92/05/1044159205.db2.gz OHRYFNQXODSZKZ-HTAPYJJXSA-N 1 0 349.478 4.055 20 30 EIEDRO C#CCOc1ccc(C[NH2+]CCc2csc(-c3ccccc3)n2)cc1 ZINC000733322481 1044182261 /nfs/dbraw/zinc/18/22/61/1044182261.db2.gz IZBVPRZCXCJDNQ-UHFFFAOYSA-N 1 0 348.471 4.154 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](CC)c2ccccc2OC)cc(OC)c1O ZINC000733323961 1044185805 /nfs/dbraw/zinc/18/58/05/1044185805.db2.gz BCCQUOJJNGVCEW-SFHVURJKSA-N 1 0 341.451 4.379 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)F)cc1 ZINC000733322651 1044186236 /nfs/dbraw/zinc/18/62/36/1044186236.db2.gz RKDNQJGDCWPQPB-CQSZACIVSA-N 1 0 331.362 4.151 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1cccc(C#N)c1 ZINC000245881464 1044197910 /nfs/dbraw/zinc/19/79/10/1044197910.db2.gz KWAGRJQXPBTGID-ZAAXVRCTSA-N 1 0 339.508 4.353 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(-c2ccc(C#N)s2)c1)C1CCOCC1 ZINC000766112235 1044202354 /nfs/dbraw/zinc/20/23/54/1044202354.db2.gz HYOWZDXYGDEKLC-CQSZACIVSA-N 1 0 326.465 4.191 20 30 EIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000245954226 1044217082 /nfs/dbraw/zinc/21/70/82/1044217082.db2.gz LNEJWKGGTOUQTH-OLMNPRSZSA-N 1 0 338.455 4.159 20 30 EIEDRO C=CCN(C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C(C)C ZINC000733658707 1044279302 /nfs/dbraw/zinc/27/93/02/1044279302.db2.gz WSDTZHFXMZJAFG-SFHVURJKSA-N 1 0 343.515 4.256 20 30 EIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc2cccc(F)c2o1 ZINC000499706602 1044283691 /nfs/dbraw/zinc/28/36/91/1044283691.db2.gz FICXVDPYOBZJLX-AWEZNQCLSA-N 1 0 330.403 4.323 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N=Nc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000733745800 1044296523 /nfs/dbraw/zinc/29/65/23/1044296523.db2.gz VBIVHZGBPFELME-PBHICJAKSA-N 1 0 330.432 4.037 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000733743388 1044297423 /nfs/dbraw/zinc/29/74/23/1044297423.db2.gz OYXLAAIVYZKNOZ-RDTXWAMCSA-N 1 0 330.432 4.037 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(N=Nc3nncc4ccccc43)CC2)C1 ZINC000733744996 1044297822 /nfs/dbraw/zinc/29/78/22/1044297822.db2.gz AHASWSKFQBQFMR-YJBOKZPZSA-N 1 0 337.471 4.072 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000543307770 1044318045 /nfs/dbraw/zinc/31/80/45/1044318045.db2.gz WZTWEIJWBYIFJP-QGZVFWFLSA-N 1 0 345.487 4.028 20 30 EIEDRO C[C@H](NCc1csc(COc2ccccc2)n1)c1ccc(C#N)cc1 ZINC000522197455 1044370622 /nfs/dbraw/zinc/37/06/22/1044370622.db2.gz UPHDADLGRLEAJC-HNNXBMFYSA-N 1 0 349.459 4.445 20 30 EIEDRO C=CC[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000494821591 1044386048 /nfs/dbraw/zinc/38/60/48/1044386048.db2.gz LQGYKDRZNRFGKB-YHELAOLJSA-N 1 0 340.511 4.210 20 30 EIEDRO CSc1ccc([C@@H](CNc2ncc(C#N)cc2Cl)[NH+](C)C)cc1 ZINC000338839289 1044393372 /nfs/dbraw/zinc/39/33/72/1044393372.db2.gz YHAPHFVSLDBRKZ-MRXNPFEDSA-N 1 0 346.887 4.043 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734096765 1044473699 /nfs/dbraw/zinc/47/36/99/1044473699.db2.gz RGVXVHPGNXWPQN-RXULLKCLSA-N 1 0 345.446 4.024 20 30 EIEDRO C[C@@H]1CC(N=Nc2nncc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000734297363 1044525985 /nfs/dbraw/zinc/52/59/85/1044525985.db2.gz JZNATBTYSJQOSX-MRXNPFEDSA-N 1 0 345.450 4.082 20 30 EIEDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000533287319 1044539145 /nfs/dbraw/zinc/53/91/45/1044539145.db2.gz XOEQIXXNWIRSOS-AWEZNQCLSA-N 1 0 344.503 4.008 20 30 EIEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2cccc(C)c2)c1C ZINC000914693163 1044661501 /nfs/dbraw/zinc/66/15/01/1044661501.db2.gz NHJIEAWUCXUPNI-OAQYLSRUSA-N 1 0 338.499 4.344 20 30 EIEDRO Cc1cc(C(F)(F)F)c(C#N)c(SCC[NH+]2CCC(C)CC2)n1 ZINC000465471290 1044725886 /nfs/dbraw/zinc/72/58/86/1044725886.db2.gz IBKMJDTYUZNIMY-UHFFFAOYSA-N 1 0 343.418 4.105 20 30 EIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000922600134 1044837080 /nfs/dbraw/zinc/83/70/80/1044837080.db2.gz NVELZGVWZZBFDV-UHFFFAOYSA-N 1 0 348.475 4.188 20 30 EIEDRO CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000154900085 1044846887 /nfs/dbraw/zinc/84/68/87/1044846887.db2.gz AMPGUOAKBAWLNL-INIZCTEOSA-N 1 0 347.466 4.467 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CC[C@H]3OCCc4ccccc43)cc2)CC1 ZINC000922957818 1044877075 /nfs/dbraw/zinc/87/70/75/1044877075.db2.gz ITCJJVUBSPEKBL-OAQYLSRUSA-N 1 0 332.447 4.035 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c(C)c1OC ZINC000922966753 1044879021 /nfs/dbraw/zinc/87/90/21/1044879021.db2.gz WWABSJWTSXQPFJ-UHFFFAOYSA-N 1 0 338.451 4.103 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000922691372 1044888449 /nfs/dbraw/zinc/88/84/49/1044888449.db2.gz ISFTUFHBHRSHCZ-HZPDHXFCSA-N 1 0 340.389 4.077 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 ZINC000922691373 1044889128 /nfs/dbraw/zinc/88/91/28/1044889128.db2.gz ISFTUFHBHRSHCZ-JKSUJKDBSA-N 1 0 340.389 4.077 20 30 EIEDRO Cc1ccc(C)c(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000429289299 1044898504 /nfs/dbraw/zinc/89/85/04/1044898504.db2.gz BYZWEKKDUQYAAO-UHFFFAOYSA-N 1 0 344.462 4.208 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@]2(C)CCOc3ccccc32)cc1OC ZINC000923026576 1044910486 /nfs/dbraw/zinc/91/04/86/1044910486.db2.gz VEPHWZRVQYRADC-OAQYLSRUSA-N 1 0 339.435 4.048 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1 ZINC000736361142 1044931233 /nfs/dbraw/zinc/93/12/33/1044931233.db2.gz OJJAYOSHYFQVTL-YWZLYKJASA-N 1 0 343.854 4.218 20 30 EIEDRO CC(C)C[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000542555427 1044965795 /nfs/dbraw/zinc/96/57/95/1044965795.db2.gz RWWOUTDGYIPZEH-RHSMWYFYSA-N 1 0 341.480 4.324 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(OC(F)F)c1 ZINC000272254888 1044987232 /nfs/dbraw/zinc/98/72/32/1044987232.db2.gz KZEJJLMILRASJS-ZDUSSCGKSA-N 1 0 328.362 4.500 20 30 EIEDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000392078191 1045014606 /nfs/dbraw/zinc/01/46/06/1045014606.db2.gz ARLXMIAZPIFQPJ-CQSZACIVSA-N 1 0 341.842 4.233 20 30 EIEDRO C=CCC1([NH2+]Cc2nc(=O)c3c(C)c(C)sc3[nH]2)CCCCC1 ZINC000625935089 1045042593 /nfs/dbraw/zinc/04/25/93/1045042593.db2.gz MFVHJILHCWYBLX-UHFFFAOYSA-N 1 0 331.485 4.382 20 30 EIEDRO Oc1ccccc1/C=N\C[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000915113362 1045111685 /nfs/dbraw/zinc/11/16/85/1045111685.db2.gz VEYCXDAYLXKROS-LZAZYHHXSA-N 1 0 328.843 4.302 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2cccc(Cl)c2)c(O)c1 ZINC000915115057 1045113637 /nfs/dbraw/zinc/11/36/37/1045113637.db2.gz UOGZLJQNVACBKK-VFAFIFLJSA-N 1 0 346.858 4.044 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)s1 ZINC000542558367 1045114412 /nfs/dbraw/zinc/11/44/12/1045114412.db2.gz ORFNXABJSPNCPV-CQSZACIVSA-N 1 0 347.871 4.343 20 30 EIEDRO CC(C)[N@H+](CCCSCC#N)Cc1ccc(Br)cc1 ZINC000466739402 1045160771 /nfs/dbraw/zinc/16/07/71/1045160771.db2.gz KYZAINBXCBLAEV-UHFFFAOYSA-N 1 0 341.318 4.306 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cnn4ccccc34)c2)s1 ZINC000740010731 1045175624 /nfs/dbraw/zinc/17/56/24/1045175624.db2.gz GFNJWYKBTZSWFU-UHFFFAOYSA-N 1 0 344.443 4.224 20 30 EIEDRO CCCCCCC[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000740873627 1045234786 /nfs/dbraw/zinc/23/47/86/1045234786.db2.gz QACHSSBJNAHUOC-UHFFFAOYSA-N 1 0 346.471 4.036 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc1 ZINC000762454411 1045245139 /nfs/dbraw/zinc/24/51/39/1045245139.db2.gz CYVYTFHKGIGZEI-DMKPSLHHSA-N 1 0 330.472 4.051 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)[C@H]1OCCc2sccc21 ZINC000429122725 1045256141 /nfs/dbraw/zinc/25/61/41/1045256141.db2.gz QVELOFWICFMOOT-FZKQIMNGSA-N 1 0 331.868 4.045 20 30 EIEDRO COc1nc(C)cc(C)c1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000611255154 1045266551 /nfs/dbraw/zinc/26/65/51/1045266551.db2.gz NLVFZBNYZMHEJR-UHFFFAOYSA-N 1 0 349.478 4.201 20 30 EIEDRO COc1ccccc1C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)C(C)C ZINC000542563599 1045276237 /nfs/dbraw/zinc/27/62/37/1045276237.db2.gz OPAMFYTXONIFSR-LJQANCHMSA-N 1 0 326.415 4.063 20 30 EIEDRO CCN1CCCC[C@@H]1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000741149489 1045278818 /nfs/dbraw/zinc/27/88/18/1045278818.db2.gz YZZBBRTWFDWLPR-OAQYLSRUSA-N 1 0 348.446 4.143 20 30 EIEDRO CC(C)C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000611388302 1045294673 /nfs/dbraw/zinc/29/46/73/1045294673.db2.gz NKMSZJNYTVVSED-LAUBAEHRSA-N 1 0 349.478 4.112 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2ccnc2)c1 ZINC000611393451 1045299551 /nfs/dbraw/zinc/29/95/51/1045299551.db2.gz UHZKUUXCCDUIGL-OPAMFIHVSA-N 1 0 342.446 4.472 20 30 EIEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1ccnc(C#N)c1 ZINC000611396408 1045300947 /nfs/dbraw/zinc/30/09/47/1045300947.db2.gz ZIIPWMBUWWHFHW-SFHVURJKSA-N 1 0 343.858 4.492 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000611395909 1045301172 /nfs/dbraw/zinc/30/11/72/1045301172.db2.gz YFVIEKQWXJUMAO-IBGZPJMESA-N 1 0 336.435 4.077 20 30 EIEDRO Cc1nc2ccccc2n1CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390351 1045301737 /nfs/dbraw/zinc/30/17/37/1045301737.db2.gz UXRZFORQNLVIDY-FQEVSTJZSA-N 1 0 344.462 4.274 20 30 EIEDRO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000495706092 1045305555 /nfs/dbraw/zinc/30/55/55/1045305555.db2.gz KROLSMFTHYZXCU-MRXNPFEDSA-N 1 0 337.508 4.086 20 30 EIEDRO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)c2c1 ZINC000611465770 1045312923 /nfs/dbraw/zinc/31/29/23/1045312923.db2.gz KMJXQAMVVMIMIJ-ZDUSSCGKSA-N 1 0 337.398 4.081 20 30 EIEDRO C[C@@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000611477019 1045315808 /nfs/dbraw/zinc/31/58/08/1045315808.db2.gz JYEHYIMWNHDYFY-MRXNPFEDSA-N 1 0 338.426 4.487 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(F)c(C)c2)ccc1OC ZINC000237226907 1045379007 /nfs/dbraw/zinc/37/90/07/1045379007.db2.gz YVRMABQUBBPVFZ-UHFFFAOYSA-N 1 0 329.415 4.387 20 30 EIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1C ZINC000272337974 1045417045 /nfs/dbraw/zinc/41/70/45/1045417045.db2.gz ZGQTUKLLWVLXLK-MRXNPFEDSA-N 1 0 347.462 4.171 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC(C)(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000495962949 1045447755 /nfs/dbraw/zinc/44/77/55/1045447755.db2.gz RORMZFUTAIBCGE-UHFFFAOYSA-N 1 0 349.519 4.086 20 30 EIEDRO Cc1cc(-c2noc([C@H]3CC[C@@H](c4ccccc4)[NH2+]C3)n2)ccc1C#N ZINC001212212559 1045696785 /nfs/dbraw/zinc/69/67/85/1045696785.db2.gz UCZNEHCIEHUOKI-OALUTQOASA-N 1 0 344.418 4.125 20 30 EIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1c(C)cc(C)nc1C ZINC000455492456 1045699971 /nfs/dbraw/zinc/69/99/71/1045699971.db2.gz ZXWTWJQUTWCUME-UHFFFAOYSA-N 1 0 339.439 4.236 20 30 EIEDRO C#CCC(C)(C)C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000768146845 1045718989 /nfs/dbraw/zinc/71/89/89/1045718989.db2.gz RTIMHZARVVVCCE-KRWDZBQOSA-N 1 0 328.500 4.062 20 30 EIEDRO CC(CCCC[NH+](C)C)N=Nc1c(F)cc(F)cc1Br ZINC000781127752 1045724147 /nfs/dbraw/zinc/72/41/47/1045724147.db2.gz QMXPXGJZMPEYAN-UHFFFAOYSA-N 1 0 348.235 4.247 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)CCOc2ccc(Cl)cc2)cc1 ZINC000768173771 1045738080 /nfs/dbraw/zinc/73/80/80/1045738080.db2.gz DWNBCZXPDMRPJL-OAHLLOKOSA-N 1 0 344.842 4.142 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000768203505 1045739924 /nfs/dbraw/zinc/73/99/24/1045739924.db2.gz JIRHNAOMFKNJNS-UHFFFAOYSA-N 1 0 337.442 4.340 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000768214968 1045755203 /nfs/dbraw/zinc/75/52/03/1045755203.db2.gz KFDREESVHNSRTI-UHFFFAOYSA-N 1 0 349.453 4.465 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000768227774 1045756387 /nfs/dbraw/zinc/75/63/87/1045756387.db2.gz ILSPBMVJHZQDAZ-JOCHJYFZSA-N 1 0 337.463 4.197 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000763231436 1045780741 /nfs/dbraw/zinc/78/07/41/1045780741.db2.gz AMXZGZYJYPNVTA-SJORKVTESA-N 1 0 344.867 4.072 20 30 EIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2cc(C#N)cc(Cl)n2)CC1 ZINC000768374690 1045802011 /nfs/dbraw/zinc/80/20/11/1045802011.db2.gz IENHSQXUIPYWPQ-CZUORRHYSA-N 1 0 345.878 4.049 20 30 EIEDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611198453 1045812136 /nfs/dbraw/zinc/81/21/36/1045812136.db2.gz SFKMTWKMAUJYHA-KXBFYZLASA-N 1 0 338.451 4.247 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)c(F)c1 ZINC000768507373 1045813439 /nfs/dbraw/zinc/81/34/39/1045813439.db2.gz GVWPDCKARKQBCV-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO CCC1(CC)C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CCS1 ZINC000768527906 1045816034 /nfs/dbraw/zinc/81/60/34/1045816034.db2.gz HGHBKCFXXIFUFD-UHFFFAOYSA-N 1 0 331.529 4.144 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000246485422 1045817216 /nfs/dbraw/zinc/81/72/16/1045817216.db2.gz ROEHAZHKFRGEIW-STZQEDGTSA-N 1 0 333.479 4.142 20 30 EIEDRO CC(C)(C#N)CCCCOC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000768692761 1045830485 /nfs/dbraw/zinc/83/04/85/1045830485.db2.gz JVHPLQSTJUPSJB-LJQANCHMSA-N 1 0 342.483 4.162 20 30 EIEDRO CC(C)(C#N)CCCCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000768692760 1045830985 /nfs/dbraw/zinc/83/09/85/1045830985.db2.gz JVHPLQSTJUPSJB-IBGZPJMESA-N 1 0 342.483 4.162 20 30 EIEDRO C#CCOc1ccc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000769210707 1045893320 /nfs/dbraw/zinc/89/33/20/1045893320.db2.gz IJKSQIKWXOSMQG-GGAORHGYSA-N 1 0 349.474 4.298 20 30 EIEDRO Cc1nc([C@@H]2CCCN2Cc2ccc(O[C@H](C)C#N)cc2)cs1 ZINC000250096606 1045910170 /nfs/dbraw/zinc/91/01/70/1045910170.db2.gz QUQXIDJDVLPUOD-ACJLOTCBSA-N 1 0 327.453 4.080 20 30 EIEDRO CN(Cc1ccc(Br)cc1)Cc1ccc(F)cc1C#N ZINC000488082941 1045919935 /nfs/dbraw/zinc/91/99/35/1045919935.db2.gz OMXMFERBCXGDCO-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000496380712 1045922597 /nfs/dbraw/zinc/92/25/97/1045922597.db2.gz RJCFGFYVDUJXFY-BRWVUGGUSA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@H]1C[C@H](C[NH+]2CCC(CCC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000496416290 1045938111 /nfs/dbraw/zinc/93/81/11/1045938111.db2.gz ITMXATRIRDFBEH-FUHWJXTLSA-N 1 0 349.519 4.038 20 30 EIEDRO C#CCCOc1ccc(C[N@@H+](C)[C@H]2CCCc3nc(C)sc32)cc1 ZINC000769403981 1045952111 /nfs/dbraw/zinc/95/21/11/1045952111.db2.gz MEIQURIOFAEXDP-IBGZPJMESA-N 1 0 340.492 4.363 20 30 EIEDRO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CCCCC(C)(C)C#N ZINC000496469994 1045953536 /nfs/dbraw/zinc/95/35/36/1045953536.db2.gz IWOQKLLJGCCHQZ-INIZCTEOSA-N 1 0 343.471 4.356 20 30 EIEDRO CC(C)(C)OC(=O)N1CC2(C1)CC[NH+](CCCCC(C)(C)C#N)CC2 ZINC000496514969 1045970089 /nfs/dbraw/zinc/97/00/89/1045970089.db2.gz SIIKKTIFEFHQMW-UHFFFAOYSA-N 1 0 349.519 4.039 20 30 EIEDRO Cc1ccccc1C[N@H+]1CCCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000614964072 1045974743 /nfs/dbraw/zinc/97/47/43/1045974743.db2.gz VOBYASNLGGGPBP-LJQANCHMSA-N 1 0 333.479 4.136 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000161514849 1045991556 /nfs/dbraw/zinc/99/15/56/1045991556.db2.gz PRQDCCYPZFMPIM-HNNXBMFYSA-N 1 0 326.396 4.319 20 30 EIEDRO CC#Cc1cncc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001170332841 1046002422 /nfs/dbraw/zinc/00/24/22/1046002422.db2.gz HPJKWYORGWNZQP-MMVMTREESA-N 1 0 331.463 4.061 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccc(Cl)c(F)c2)cc1 ZINC000769530366 1046009427 /nfs/dbraw/zinc/00/94/27/1046009427.db2.gz LMEQKFHOAIFCTD-UHFFFAOYSA-N 1 0 345.849 4.461 20 30 EIEDRO N#CC1(c2ccccc2)CCC(NC(=[NH2+])c2ccc(Cl)nc2)CC1 ZINC001170359469 1046013290 /nfs/dbraw/zinc/01/32/90/1046013290.db2.gz ZKWJKGFVRNGMJP-UHFFFAOYSA-N 1 0 338.842 4.054 20 30 EIEDRO CC(=O)[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC001170359381 1046013796 /nfs/dbraw/zinc/01/37/96/1046013796.db2.gz UJZDUQAKIMKLDI-ATKRNPRHSA-N 1 0 332.447 4.310 20 30 EIEDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(O)c1 ZINC000769549127 1046017447 /nfs/dbraw/zinc/01/74/47/1046017447.db2.gz NUNRKOHDWJAEKQ-WOJBJXKFSA-N 1 0 336.435 4.063 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2cnc3cccc(C[NH3+])c32)CC1 ZINC001170365286 1046017504 /nfs/dbraw/zinc/01/75/04/1046017504.db2.gz ULJPWYVNJCJBER-UHFFFAOYSA-N 1 0 330.435 4.072 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001170389644 1046025438 /nfs/dbraw/zinc/02/54/38/1046025438.db2.gz XFOIYGGQVLJSHX-NLMOZGTASA-N 1 0 331.463 4.275 20 30 EIEDRO COc1cccc2c1C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170395478 1046028508 /nfs/dbraw/zinc/02/85/08/1046028508.db2.gz MFWWSRBNHKILCZ-UHFFFAOYSA-N 1 0 332.447 4.415 20 30 EIEDRO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]CC(C)(C)CC#N)c21 ZINC000496743434 1046041520 /nfs/dbraw/zinc/04/15/20/1046041520.db2.gz UOTXMWLZMGWLNF-UHFFFAOYSA-N 1 0 343.471 4.014 20 30 EIEDRO CCC[C@@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168510147 1046044325 /nfs/dbraw/zinc/04/43/25/1046044325.db2.gz SRPSUICABSOPSK-MOPGFXCFSA-N 1 0 330.378 4.001 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)s1 ZINC000121941057 1046082715 /nfs/dbraw/zinc/08/27/15/1046082715.db2.gz QCKFSVXHEJLDFX-UHFFFAOYSA-N 1 0 336.464 4.074 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)ccc1C#N ZINC000488135372 1046105086 /nfs/dbraw/zinc/10/50/86/1046105086.db2.gz FZSALKUBSZZXFE-FQEVSTJZSA-N 1 0 336.410 4.243 20 30 EIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1C#N ZINC000488142654 1046115362 /nfs/dbraw/zinc/11/53/62/1046115362.db2.gz CIZPWYOXLHBMEW-OAHLLOKOSA-N 1 0 348.450 4.001 20 30 EIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763408061 1046134629 /nfs/dbraw/zinc/13/46/29/1046134629.db2.gz NZHRTZUMUTZCBI-YPAWHYETSA-N 1 0 334.463 4.250 20 30 EIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)c1C ZINC000763413845 1046144215 /nfs/dbraw/zinc/14/42/15/1046144215.db2.gz OTPZPKZGACCJEU-VXKWHMMOSA-N 1 0 334.463 4.436 20 30 EIEDRO Cc1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)ccc1C#N ZINC000488155158 1046162361 /nfs/dbraw/zinc/16/23/61/1046162361.db2.gz XLSQORDGABXITQ-NRFANRHFSA-N 1 0 336.435 4.125 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000770236525 1046162713 /nfs/dbraw/zinc/16/27/13/1046162713.db2.gz KUVVKZZETOMIRT-VQTJNVASSA-N 1 0 342.389 4.097 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000497016023 1046167629 /nfs/dbraw/zinc/16/76/29/1046167629.db2.gz LZTNAANIZUDIBV-ZWKOTPCHSA-N 1 0 343.471 4.021 20 30 EIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000770292255 1046174598 /nfs/dbraw/zinc/17/45/98/1046174598.db2.gz NZBBCYYFLRSRFZ-ROUUACIJSA-N 1 0 343.492 4.401 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000793513279 1046260131 /nfs/dbraw/zinc/26/01/31/1046260131.db2.gz AIKKXGYTLYWKMP-LBPRGKRZSA-N 1 0 328.378 4.157 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000666840175 1046262720 /nfs/dbraw/zinc/26/27/20/1046262720.db2.gz TZMUYUDOZKFHHB-AEFFLSMTSA-N 1 0 329.488 4.047 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000666840176 1046263414 /nfs/dbraw/zinc/26/34/14/1046263414.db2.gz TZMUYUDOZKFHHB-FUHWJXTLSA-N 1 0 329.488 4.047 20 30 EIEDRO N#CC1(CCC[N@@H+](Cc2ccc(Cl)cc2)C2CC2)CCOCC1 ZINC000282060628 1046309272 /nfs/dbraw/zinc/30/92/72/1046309272.db2.gz SBYQXZWLAQGNSX-UHFFFAOYSA-N 1 0 332.875 4.405 20 30 EIEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000282063289 1046312345 /nfs/dbraw/zinc/31/23/45/1046312345.db2.gz SGADYHVGSHTSED-OAQYLSRUSA-N 1 0 340.511 4.432 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)ccc1OC(F)F ZINC000916833659 1046377208 /nfs/dbraw/zinc/37/72/08/1046377208.db2.gz VIEHBGAXQOBCFZ-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000497218270 1046422520 /nfs/dbraw/zinc/42/25/20/1046422520.db2.gz BMXRNXSXQAXLHC-KGLIPLIRSA-N 1 0 349.450 4.041 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)cc1 ZINC000428639636 1046423732 /nfs/dbraw/zinc/42/37/32/1046423732.db2.gz INNFYVIDFCSUFE-HXUWFJFHSA-N 1 0 349.434 4.016 20 30 EIEDRO C[NH+]1C(C)(C)CC(Nc2nc3ccccc3cc2CC#N)CC1(C)C ZINC001170450856 1046490563 /nfs/dbraw/zinc/49/05/63/1046490563.db2.gz LJOFBNOYSWFHKH-UHFFFAOYSA-N 1 0 336.483 4.364 20 30 EIEDRO C#CCOc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000771924200 1046518762 /nfs/dbraw/zinc/51/87/62/1046518762.db2.gz COHBWQXLNKTSEQ-UHFFFAOYSA-N 1 0 347.414 4.200 20 30 EIEDRO C=CCN(Cc1nc2ccccc2n1CC)Cc1ccc(OC)cc1 ZINC000536648951 1046612583 /nfs/dbraw/zinc/61/25/83/1046612583.db2.gz HTTFBZDHXWYNGE-UHFFFAOYSA-N 1 0 335.451 4.253 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@H](SCC)C2)cc1OC ZINC000536667308 1046641426 /nfs/dbraw/zinc/64/14/26/1046641426.db2.gz WVCJMZWMLJHMHZ-IRXDYDNUSA-N 1 0 335.513 4.366 20 30 EIEDRO N#C[C@H]1CCC[C@H]1[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000459456613 1046690186 /nfs/dbraw/zinc/69/01/86/1046690186.db2.gz CDSJINICXSBTSO-UKRRQHHQSA-N 1 0 326.362 4.146 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000459456582 1046691756 /nfs/dbraw/zinc/69/17/56/1046691756.db2.gz CBXCJWLXUDJSCN-BBRMVZONSA-N 1 0 326.362 4.146 20 30 EIEDRO N#C[C@H]1CCC[C@H]1[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000459456585 1046691820 /nfs/dbraw/zinc/69/18/20/1046691820.db2.gz CBXCJWLXUDJSCN-CZUORRHYSA-N 1 0 326.362 4.146 20 30 EIEDRO CC1(C)CCc2cc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000785617111 1046727827 /nfs/dbraw/zinc/72/78/27/1046727827.db2.gz KOWJCQPHRXPSIA-FQEVSTJZSA-N 1 0 332.447 4.439 20 30 EIEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000536745472 1046744115 /nfs/dbraw/zinc/74/41/15/1046744115.db2.gz WINBVHZGMIONAB-HRCADAONSA-N 1 0 345.512 4.140 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c1F ZINC000459528300 1046757545 /nfs/dbraw/zinc/75/75/45/1046757545.db2.gz BRWAWNKYCVNCQI-HXUWFJFHSA-N 1 0 338.426 4.081 20 30 EIEDRO CC[C@H]1CC([NH2+]CCCCC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170467585 1046808372 /nfs/dbraw/zinc/80/83/72/1046808372.db2.gz FKNCRKDNAKZOBT-IRXDYDNUSA-N 1 0 337.508 4.227 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000154320613 1046813243 /nfs/dbraw/zinc/81/32/43/1046813243.db2.gz OOXSMCYNSVHMQF-FGSXEWAUSA-N 1 0 333.479 4.119 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccn(C3CCCC3)n2)CC1 ZINC000536847183 1046819734 /nfs/dbraw/zinc/81/97/34/1046819734.db2.gz RWHYXAWDUHYIEJ-UHFFFAOYSA-N 1 0 348.494 4.492 20 30 EIEDRO CC[C@H]1CC([NH2+]CC(C)(C)S)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170469969 1046827285 /nfs/dbraw/zinc/82/72/85/1046827285.db2.gz MQYIXLKPBSOPMA-GJZGRUSLSA-N 1 0 344.565 4.241 20 30 EIEDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000459639274 1046828176 /nfs/dbraw/zinc/82/81/76/1046828176.db2.gz KAZOBRCSGHYHIL-AWEZNQCLSA-N 1 0 345.393 4.056 20 30 EIEDRO CC[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000536876867 1046839378 /nfs/dbraw/zinc/83/93/78/1046839378.db2.gz OTKLIODSZNWLQM-KRWDZBQOSA-N 1 0 346.377 4.279 20 30 EIEDRO N#Cc1cccc(OCCC[NH+]2CC(c3nc4ccccc4s3)C2)c1 ZINC000536925210 1046863454 /nfs/dbraw/zinc/86/34/54/1046863454.db2.gz KWFKCOJGLGLQFE-UHFFFAOYSA-N 1 0 349.459 4.036 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)c(Br)c1 ZINC000459725598 1046865937 /nfs/dbraw/zinc/86/59/37/1046865937.db2.gz DFGMFESVJPFISJ-LLVKDONJSA-N 1 0 325.250 4.048 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459733615 1046866628 /nfs/dbraw/zinc/86/66/28/1046866628.db2.gz QNVMIRLXUCSLDK-UHFFFAOYSA-N 1 0 337.471 4.090 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCCC[C@H]2n2cccn2)cc1 ZINC000128464975 1046880416 /nfs/dbraw/zinc/88/04/16/1046880416.db2.gz UALCJHOEIJGPNI-ZWKOTPCHSA-N 1 0 347.384 4.027 20 30 EIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)cc1 ZINC000497605351 1046888175 /nfs/dbraw/zinc/88/81/75/1046888175.db2.gz GBJPGZXUNNRBNR-FQEVSTJZSA-N 1 0 336.435 4.173 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC#Cc4ccc(F)cc4)C3)nc2c1 ZINC000537017608 1046889537 /nfs/dbraw/zinc/88/95/37/1046889537.db2.gz HDAAMOKYWAWMFE-SFHVURJKSA-N 1 0 347.437 4.242 20 30 EIEDRO CCC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCC1 ZINC000459801991 1046892872 /nfs/dbraw/zinc/89/28/72/1046892872.db2.gz LTGUQAHXSWXIIP-KXBFYZLASA-N 1 0 345.462 4.019 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cnc2cc(C)c(C)cc21 ZINC000917457281 1046898241 /nfs/dbraw/zinc/89/82/41/1046898241.db2.gz FIRWQOCSVVTMHV-UHFFFAOYSA-N 1 0 332.451 4.395 20 30 EIEDRO C=CCCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000537037658 1046906962 /nfs/dbraw/zinc/90/69/62/1046906962.db2.gz STKRVBREEDMZFL-MRXNPFEDSA-N 1 0 334.891 4.233 20 30 EIEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000537104436 1046933218 /nfs/dbraw/zinc/93/32/18/1046933218.db2.gz ZMUGLDJMYKJMER-CQSZACIVSA-N 1 0 341.842 4.118 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000537092994 1046940476 /nfs/dbraw/zinc/94/04/76/1046940476.db2.gz QUJKHVXUXKONIB-STQMWFEESA-N 1 0 333.419 4.176 20 30 EIEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114756 1046965686 /nfs/dbraw/zinc/96/56/86/1046965686.db2.gz GSFDLTJVANEJMA-LSDHHAIUSA-N 1 0 342.870 4.348 20 30 EIEDRO C=CCC(CC=C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000467534994 1047034730 /nfs/dbraw/zinc/03/47/30/1047034730.db2.gz FIJIPVFMWJEKQN-KRWDZBQOSA-N 1 0 342.483 4.114 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+](C2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C2)C1 ZINC001170491477 1047048343 /nfs/dbraw/zinc/04/83/43/1047048343.db2.gz JUUXZVAVAVPYAI-KZNAEPCWSA-N 1 0 348.531 4.288 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1cccc(C#N)c1 ZINC000537295008 1047075176 /nfs/dbraw/zinc/07/51/76/1047075176.db2.gz FVWFUAAJCTUDSY-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)o1 ZINC000537296854 1047078133 /nfs/dbraw/zinc/07/81/33/1047078133.db2.gz HXPSNRQBWJVOKA-IERDGZPVSA-N 1 0 349.478 4.029 20 30 EIEDRO C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)c1ccc(C#N)cc1 ZINC000537305492 1047090115 /nfs/dbraw/zinc/09/01/15/1047090115.db2.gz VTFMFNKVECSYHZ-ZDUSSCGKSA-N 1 0 340.377 4.196 20 30 EIEDRO N#Cc1ccccc1-c1ccccc1C(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788119831 1047109153 /nfs/dbraw/zinc/10/91/53/1047109153.db2.gz ONXHFYFUKPLYDN-MSOLQXFVSA-N 1 0 346.430 4.009 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000917842602 1047164452 /nfs/dbraw/zinc/16/44/52/1047164452.db2.gz YCKHREGKNDOXTJ-LJQANCHMSA-N 1 0 349.478 4.071 20 30 EIEDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000788479546 1047198244 /nfs/dbraw/zinc/19/82/44/1047198244.db2.gz VPSHFNXCYNVFCR-CYBMUJFWSA-N 1 0 327.359 4.189 20 30 EIEDRO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCO1 ZINC000537405547 1047199883 /nfs/dbraw/zinc/19/98/83/1047199883.db2.gz OGCSQQFCPQBTFT-LQPXBXSXSA-N 1 0 342.483 4.041 20 30 EIEDRO N#Cc1cc2ccccc2nc1NCc1ccccc1C[NH+]1CCCC1 ZINC000747325796 1047234935 /nfs/dbraw/zinc/23/49/35/1047234935.db2.gz GBEGNDRMFYZLDU-UHFFFAOYSA-N 1 0 342.446 4.314 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H](O)c1ccccc1 ZINC000788627651 1047255984 /nfs/dbraw/zinc/25/59/84/1047255984.db2.gz OPRCLKIGCQDMDQ-FSSWDIPSSA-N 1 0 334.463 4.283 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c1 ZINC000788983179 1047340325 /nfs/dbraw/zinc/34/03/25/1047340325.db2.gz BPBZOOKWULNZNF-VURPSTOHSA-N 1 0 342.483 4.052 20 30 EIEDRO CCCCCCC[C@@H](C)CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000918135698 1047349860 /nfs/dbraw/zinc/34/98/60/1047349860.db2.gz IJUAKZVNENIAKQ-QGZVFWFLSA-N 1 0 325.541 4.155 20 30 EIEDRO COc1c2ccccc2oc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000788979927 1047350709 /nfs/dbraw/zinc/35/07/09/1047350709.db2.gz IHMRDWZUOKXJGD-AWEZNQCLSA-N 1 0 336.391 4.195 20 30 EIEDRO N#Cc1ccc(CNc2ccc(F)c(C[NH+]3CCCC3)c2)cc1F ZINC001170096471 1047360022 /nfs/dbraw/zinc/36/00/22/1047360022.db2.gz VIAZCOUPODQYQA-UHFFFAOYSA-N 1 0 327.378 4.044 20 30 EIEDRO CCOc1ccc(O)c(/C=N/C[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000746815815 1047427040 /nfs/dbraw/zinc/42/70/40/1047427040.db2.gz NMELCKOCKGZWGH-IUOVYFEOSA-N 1 0 346.858 4.166 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000556060867 1047427749 /nfs/dbraw/zinc/42/77/49/1047427749.db2.gz NTFRCIAOYJOTAR-JTDSTZFVSA-N 1 0 328.456 4.111 20 30 EIEDRO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)CC1 ZINC000897696316 1047448829 /nfs/dbraw/zinc/44/88/29/1047448829.db2.gz KBFFYNCKVBQRKO-QGZVFWFLSA-N 1 0 346.540 4.083 20 30 EIEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000609280774 1047492856 /nfs/dbraw/zinc/49/28/56/1047492856.db2.gz OTHKGRUPXTVADQ-FQEVSTJZSA-N 1 0 336.435 4.173 20 30 EIEDRO CCN(Cc1ccc(OCc2ccc(F)cc2)cc1)C[C@@H](C)C#N ZINC000064248603 1047515421 /nfs/dbraw/zinc/51/54/21/1047515421.db2.gz MTSOPXZFFYLRBW-INIZCTEOSA-N 1 0 326.415 4.386 20 30 EIEDRO C[C@H](C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1cc(F)cc(F)c1 ZINC000556165125 1047518929 /nfs/dbraw/zinc/51/89/29/1047518929.db2.gz HGUGFTKQYAQEMT-OAHLLOKOSA-N 1 0 341.405 4.021 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000237545603 1047537073 /nfs/dbraw/zinc/53/70/73/1047537073.db2.gz MCPYZBWEHGCWKO-SFHVURJKSA-N 1 0 339.870 4.136 20 30 EIEDRO C=C[C@H](CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000533914547 1047541500 /nfs/dbraw/zinc/54/15/00/1047541500.db2.gz XHPKLNVLOCSVKN-HSALFYBXSA-N 1 0 342.527 4.221 20 30 EIEDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000556204137 1047565789 /nfs/dbraw/zinc/56/57/89/1047565789.db2.gz CHBYTTINDDZIFI-AZUAARDMSA-N 1 0 341.499 4.192 20 30 EIEDRO C[C@H]1CC[N@H+](Cc2ccccc2)CC1N=Nc1nccnc1C1CCC1 ZINC000807992616 1047566298 /nfs/dbraw/zinc/56/62/98/1047566298.db2.gz HYCPBFFAEVFKPQ-INIZCTEOSA-N 1 0 349.482 4.054 20 30 EIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC001168285538 1047605889 /nfs/dbraw/zinc/60/58/89/1047605889.db2.gz UZQHWNYZFKQALX-NFBKMPQASA-N 1 0 348.490 4.327 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](c2ccncc2)C2CC2)ccc1OC ZINC000898323992 1047613727 /nfs/dbraw/zinc/61/37/27/1047613727.db2.gz AWRNDYPSBRZHHX-OAQYLSRUSA-N 1 0 338.451 4.286 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000108355654 1047796733 /nfs/dbraw/zinc/79/67/33/1047796733.db2.gz HNEZDRROYZCHBK-HNNXBMFYSA-N 1 0 345.512 4.141 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 ZINC000130846329 1047805847 /nfs/dbraw/zinc/80/58/47/1047805847.db2.gz QXLJMHATUKGSNF-WFXMLNOXSA-N 1 0 342.527 4.362 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000556599464 1047835072 /nfs/dbraw/zinc/83/50/72/1047835072.db2.gz SBCOQGAKODXXPU-UTKZUKDTSA-N 1 0 337.511 4.180 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000824423842 1047867289 /nfs/dbraw/zinc/86/72/89/1047867289.db2.gz VMUNBRZVQVFBQV-SRWJYRBRSA-N 1 0 339.483 4.327 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000824424090 1047867521 /nfs/dbraw/zinc/86/75/21/1047867521.db2.gz XKPILNRHZFJYPQ-IAGOWNOFSA-N 1 0 329.488 4.392 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)ccc1OC ZINC000747915829 1047877618 /nfs/dbraw/zinc/87/76/18/1047877618.db2.gz NUCDHHDYJXIZSH-RLFYNMQTSA-N 1 0 330.472 4.290 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)s1 ZINC000808448377 1047907779 /nfs/dbraw/zinc/90/77/79/1047907779.db2.gz CSJGNFZHZCLYEY-VQTJNVASSA-N 1 0 334.444 4.184 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCc3c2cccc3C#N)nc1 ZINC001171064276 1047917291 /nfs/dbraw/zinc/91/72/91/1047917291.db2.gz CNBBVWIWLZICNI-HRAATJIYSA-N 1 0 346.478 4.427 20 30 EIEDRO CCCCCCCCCN(C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000919654308 1047927267 /nfs/dbraw/zinc/92/72/67/1047927267.db2.gz HXKYSIVEHFNPHF-UHFFFAOYSA-N 1 0 325.541 4.251 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000498942516 1048000981 /nfs/dbraw/zinc/00/09/81/1048000981.db2.gz VEUJLTASKMPHMU-FQEVSTJZSA-N 1 0 328.475 4.392 20 30 EIEDRO C#CC[N@@H+](CCCCOc1c(OC)cccc1OC)C1CCCCC1 ZINC000808714017 1048061990 /nfs/dbraw/zinc/06/19/90/1048061990.db2.gz WILKALVSHKJAMG-UHFFFAOYSA-N 1 0 345.483 4.131 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2OC)cc1 ZINC000072727433 1048063870 /nfs/dbraw/zinc/06/38/70/1048063870.db2.gz DDRRBLBPQJDUBS-OAHLLOKOSA-N 1 0 327.424 4.119 20 30 EIEDRO N#Cc1cc2[nH]ccc2c(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1 ZINC001170753033 1048077180 /nfs/dbraw/zinc/07/71/80/1048077180.db2.gz YGGPQUBDAQJXSJ-IBGZPJMESA-N 1 0 344.462 4.159 20 30 EIEDRO C=CCC[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1ccco1 ZINC000556886693 1048104647 /nfs/dbraw/zinc/10/46/47/1048104647.db2.gz NWQKBMZTJGFLPG-AWEZNQCLSA-N 1 0 340.345 4.369 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000556886609 1048105120 /nfs/dbraw/zinc/10/51/20/1048105120.db2.gz XGZKKDRYOXDBHC-FDFHNCONSA-N 1 0 334.463 4.194 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccccc2)cc1C ZINC000747529478 1048119497 /nfs/dbraw/zinc/11/94/97/1048119497.db2.gz NJTLNOSEBSUTDT-UHFFFAOYSA-N 1 0 349.478 4.075 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)n1 ZINC001171096901 1048160656 /nfs/dbraw/zinc/16/06/56/1048160656.db2.gz SHGVFXDSDBNUJO-OAHLLOKOSA-N 1 0 344.462 4.011 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000556910045 1048187565 /nfs/dbraw/zinc/18/75/65/1048187565.db2.gz SLWKXANEXSMIFG-OAQYLSRUSA-N 1 0 337.463 4.245 20 30 EIEDRO CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C[NH+](C)C)cc1 ZINC000814832622 1048195212 /nfs/dbraw/zinc/19/52/12/1048195212.db2.gz JLIHJTGWUWAUOX-UHFFFAOYSA-N 1 0 346.818 4.146 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1C#N ZINC001170769396 1048207208 /nfs/dbraw/zinc/20/72/08/1048207208.db2.gz QNOKVYXAMVJPOY-XZOQPEGZSA-N 1 0 342.442 4.431 20 30 EIEDRO c1ccc2ncc(CN[NH+]=C3CC[C@@H]4CNc5cccc3c54)cc2c1 ZINC000814876819 1048215435 /nfs/dbraw/zinc/21/54/35/1048215435.db2.gz JBANUZMEIOJNNR-MRXNPFEDSA-N 1 0 328.419 4.032 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815017070 1048296112 /nfs/dbraw/zinc/29/61/12/1048296112.db2.gz FHZYIJHSMGSWSE-LJQANCHMSA-N 1 0 334.419 4.250 20 30 EIEDRO C[C@H](CSc1ccccc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000844359035 1048304027 /nfs/dbraw/zinc/30/40/27/1048304027.db2.gz IMZGRENIRCEAPE-MRXNPFEDSA-N 1 0 326.465 4.202 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844377912 1048313350 /nfs/dbraw/zinc/31/33/50/1048313350.db2.gz YJXYWYLTZOQNEF-LJQANCHMSA-N 1 0 334.891 4.343 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000919935368 1048316112 /nfs/dbraw/zinc/31/61/12/1048316112.db2.gz DUXWBJKLCAQGMW-HNNXBMFYSA-N 1 0 343.389 4.294 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](COC)c2cccc(C(F)(F)F)c2)cc1 ZINC000809617999 1048421649 /nfs/dbraw/zinc/42/16/49/1048421649.db2.gz DBIAYIFAAYRXMY-SFHVURJKSA-N 1 0 333.353 4.164 20 30 EIEDRO CC#CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000499218032 1048427092 /nfs/dbraw/zinc/42/70/92/1048427092.db2.gz XEXNZLQLYRUEHO-UHFFFAOYSA-N 1 0 328.343 4.029 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OCCC)cc2OC(F)F)cc1 ZINC000809626970 1048442983 /nfs/dbraw/zinc/44/29/83/1048442983.db2.gz RNHZYYZEYHCBDI-UHFFFAOYSA-N 1 0 345.389 4.348 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(CCc3ccc(Cl)cc3)CC2)nc1 ZINC001144160700 1048470454 /nfs/dbraw/zinc/47/04/54/1048470454.db2.gz RWSPPZCCFMDCQK-UHFFFAOYSA-N 1 0 339.870 4.451 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc2ccsc21)C(C)C ZINC001144198058 1048488252 /nfs/dbraw/zinc/48/82/52/1048488252.db2.gz SODMAWGUABSHCX-GOSISDBHSA-N 1 0 342.508 4.330 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000809757078 1048521564 /nfs/dbraw/zinc/52/15/64/1048521564.db2.gz ZWTLOMXASXYYAO-KFNAQCHYSA-N 1 0 327.255 4.089 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000809757077 1048521958 /nfs/dbraw/zinc/52/19/58/1048521958.db2.gz ZWTLOMXASXYYAO-FFSVYQOJSA-N 1 0 327.255 4.089 20 30 EIEDRO CCCN(CC[NH+]1CCCCCC1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809788518 1048535073 /nfs/dbraw/zinc/53/50/73/1048535073.db2.gz SMOPYWVUSIJFGT-IBGZPJMESA-N 1 0 343.515 4.065 20 30 EIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000815636900 1048564935 /nfs/dbraw/zinc/56/49/35/1048564935.db2.gz FURUATKOWZNNFG-CQSZACIVSA-N 1 0 333.476 4.103 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc4[nH]c(C#N)cc43)c2c1 ZINC001171169095 1048619157 /nfs/dbraw/zinc/61/91/57/1048619157.db2.gz NORVSXBQMAKLIT-CQSZACIVSA-N 1 0 328.419 4.182 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc(Cl)c(C)c3C#N)c2c1 ZINC001171169207 1048619692 /nfs/dbraw/zinc/61/96/92/1048619692.db2.gz XRPNNDKIFNNVKR-GFCCVEGCSA-N 1 0 338.842 4.057 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc4[nH]c(C#N)cc43)c2c1 ZINC001171169093 1048620170 /nfs/dbraw/zinc/62/01/70/1048620170.db2.gz NORVSXBQMAKLIT-AWEZNQCLSA-N 1 0 328.419 4.182 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128841 1048638138 /nfs/dbraw/zinc/63/81/38/1048638138.db2.gz KDNLHFDEOXYZFH-SJORKVTESA-N 1 0 347.462 4.487 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCOc1cccc(Cl)c1 ZINC001171178181 1048650378 /nfs/dbraw/zinc/65/03/78/1048650378.db2.gz DEEZUXGIDUSEMB-HNNXBMFYSA-N 1 0 328.843 4.201 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccccc1Br ZINC001171179551 1048652955 /nfs/dbraw/zinc/65/29/55/1048652955.db2.gz TWXSSVLZQVBPEP-AWEZNQCLSA-N 1 0 343.268 4.084 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cscc1C(F)(F)F ZINC000810145227 1048653934 /nfs/dbraw/zinc/65/39/34/1048653934.db2.gz WEMKEEQKJFMWII-UHFFFAOYSA-N 1 0 325.355 4.069 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001171179955 1048654817 /nfs/dbraw/zinc/65/48/17/1048654817.db2.gz ZSZTTXUGCGHWPL-CYBMUJFWSA-N 1 0 334.341 4.178 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(Br)c1 ZINC001171181550 1048662911 /nfs/dbraw/zinc/66/29/11/1048662911.db2.gz MYGZECWBLJZSJU-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@H](C)Cc1cccc(C#N)c1 ZINC001171183529 1048674444 /nfs/dbraw/zinc/67/44/44/1048674444.db2.gz FSBBKTZEVVHNRN-OAHLLOKOSA-N 1 0 347.462 4.135 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCCC2=O)cc1 ZINC000810212743 1048682560 /nfs/dbraw/zinc/68/25/60/1048682560.db2.gz WXHJQICGWLONPF-YCRPNKLZSA-N 1 0 345.446 4.023 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC001171189705 1048685912 /nfs/dbraw/zinc/68/59/12/1048685912.db2.gz JXKANONBIOASEG-HTAPYJJXSA-N 1 0 334.463 4.247 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H](O)c1c(F)cccc1Cl ZINC000810227098 1048694093 /nfs/dbraw/zinc/69/40/93/1048694093.db2.gz RDKPCALIBTVERJ-AHYKXKOGSA-N 1 0 344.817 4.050 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171192747 1048694708 /nfs/dbraw/zinc/69/47/08/1048694708.db2.gz PPXOXKIACQKBHT-AWEZNQCLSA-N 1 0 343.268 4.350 20 30 EIEDRO Cc1ccc(Cl)c(CC[NH2+][C@H](C)Cc2cccc(C#N)c2)c1F ZINC001171195448 1048701609 /nfs/dbraw/zinc/70/16/09/1048701609.db2.gz SUHCEZKTSKCCKJ-CQSZACIVSA-N 1 0 330.834 4.423 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc2c(c1)CCCO2 ZINC000810250478 1048729916 /nfs/dbraw/zinc/72/99/16/1048729916.db2.gz MSRWIYJFDMQJSO-LJQANCHMSA-N 1 0 336.435 4.133 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001171203058 1048779050 /nfs/dbraw/zinc/77/90/50/1048779050.db2.gz IJCMWDKDQUHXCA-SFHVURJKSA-N 1 0 329.447 4.047 20 30 EIEDRO Cc1cc(C(F)(F)F)ccc1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846009044 1048785226 /nfs/dbraw/zinc/78/52/26/1048785226.db2.gz ZXLIQMYHOHFBPP-GOSISDBHSA-N 1 0 348.368 4.051 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001171204464 1048785435 /nfs/dbraw/zinc/78/54/35/1048785435.db2.gz YERSISYPQTZGEK-AWEZNQCLSA-N 1 0 347.384 4.078 20 30 EIEDRO N#CC1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CCCC1 ZINC000846009987 1048785874 /nfs/dbraw/zinc/78/58/74/1048785874.db2.gz GPPISGZZTWCSIP-UHFFFAOYSA-N 1 0 333.273 4.369 20 30 EIEDRO C[N@@H+](Cc1ccc(C(C)(C)C)s1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846007088 1048786448 /nfs/dbraw/zinc/78/64/48/1048786448.db2.gz MXMVPZLAUSHLLE-QGZVFWFLSA-N 1 0 328.481 4.083 20 30 EIEDRO CC[C@H](OCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 ZINC000846021044 1048789840 /nfs/dbraw/zinc/78/98/40/1048789840.db2.gz UJDXDZLFSOFWRG-UWJYYQICSA-N 1 0 338.451 4.235 20 30 EIEDRO C[C@@H](CSC(C)(C)C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846113925 1048815278 /nfs/dbraw/zinc/81/52/78/1048815278.db2.gz DJHJSVLJLKLVTD-INIZCTEOSA-N 1 0 345.556 4.032 20 30 EIEDRO Oc1cccc(/C=N/C[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1O ZINC000920944434 1048817385 /nfs/dbraw/zinc/81/73/85/1048817385.db2.gz GBYOXUVXDJQIQB-KKJJZKEWSA-N 1 0 344.842 4.007 20 30 EIEDRO CCOc1ccc(/C=N/C[C@H](c2cccs2)[NH+]2CCCC2)c(O)c1 ZINC000920944386 1048818114 /nfs/dbraw/zinc/81/81/14/1048818114.db2.gz WIMNQQNETITQFL-UOBPLZBXSA-N 1 0 344.480 4.108 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N\[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000920945227 1048819392 /nfs/dbraw/zinc/81/93/92/1048819392.db2.gz SSRFWDOHUCAAOO-JVMBGAFUSA-N 1 0 330.431 4.239 20 30 EIEDRO C[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)c1ccc(OCC#N)cc1 ZINC000846217264 1048842883 /nfs/dbraw/zinc/84/28/83/1048842883.db2.gz YHIJOBQMYPANCL-TZMCWYRMSA-N 1 0 327.255 4.214 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(n2ncc3ccccc32)CC1 ZINC001171223198 1048860036 /nfs/dbraw/zinc/86/00/36/1048860036.db2.gz LMVRQCGDFHKLEY-QGZVFWFLSA-N 1 0 344.462 4.176 20 30 EIEDRO COC1(c2ccccc2)CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171228253 1048864246 /nfs/dbraw/zinc/86/42/46/1048864246.db2.gz FKRZBTSSGWTMIS-GOSISDBHSA-N 1 0 334.463 4.127 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001171234105 1048876972 /nfs/dbraw/zinc/87/69/72/1048876972.db2.gz LCMDJJDHMKOGKA-QGZVFWFLSA-N 1 0 347.437 4.186 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817412013 1048963206 /nfs/dbraw/zinc/96/32/06/1048963206.db2.gz BDDVNEYUHYWQNY-HIFRSBDPSA-N 1 0 326.362 4.142 20 30 EIEDRO N#CC1(Nc2cc(Cl)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC001171275240 1049012591 /nfs/dbraw/zinc/01/25/91/1049012591.db2.gz QNHQDFSAZKZKEY-UHFFFAOYSA-N 1 0 343.833 4.449 20 30 EIEDRO Cc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c2[nH]ccc21 ZINC001171276412 1049015790 /nfs/dbraw/zinc/01/57/90/1049015790.db2.gz ATYOFCCIYKJNIW-UHFFFAOYSA-N 1 0 344.462 4.447 20 30 EIEDRO N#CC1(Nc2ccc(OC3CC3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC001171276537 1049019557 /nfs/dbraw/zinc/01/95/57/1049019557.db2.gz ANHNJGJQMDPWNH-UHFFFAOYSA-N 1 0 347.462 4.198 20 30 EIEDRO CC(C)(C)c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001171277780 1049034354 /nfs/dbraw/zinc/03/43/54/1049034354.db2.gz PZLPTQZQONXHKN-UHFFFAOYSA-N 1 0 348.494 4.349 20 30 EIEDRO CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)Cc1ccc(OC)cc1 ZINC000609432244 1049061749 /nfs/dbraw/zinc/06/17/49/1049061749.db2.gz WYKBVWPQVCPKTF-OAHLLOKOSA-N 1 0 326.415 4.159 20 30 EIEDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000811452648 1049069471 /nfs/dbraw/zinc/06/94/71/1049069471.db2.gz CLCSEAGQQUKPQX-UHFFFAOYSA-N 1 0 347.384 4.275 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1[N+](=O)[O-] ZINC000175056193 1049073679 /nfs/dbraw/zinc/07/36/79/1049073679.db2.gz VLWVPBVPMFNDHR-LSDHHAIUSA-N 1 0 339.395 4.045 20 30 EIEDRO CCc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000609466545 1049077002 /nfs/dbraw/zinc/07/70/02/1049077002.db2.gz JBAPKIOENVVEAC-IBGZPJMESA-N 1 0 337.442 4.018 20 30 EIEDRO CC(C)C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000811473384 1049094641 /nfs/dbraw/zinc/09/46/41/1049094641.db2.gz XLQBGCLAOJUEMP-CRAIPNDOSA-N 1 0 345.487 4.148 20 30 EIEDRO C#C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000811517020 1049102053 /nfs/dbraw/zinc/10/20/53/1049102053.db2.gz FSPUSSLPVATPML-OAQYLSRUSA-N 1 0 338.882 4.269 20 30 EIEDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC000772983533 1049191803 /nfs/dbraw/zinc/19/18/03/1049191803.db2.gz KNSKAKSAURTYIT-CJNGLKHVSA-N 1 0 327.428 4.077 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)Cc2cccs2)ccc1OC ZINC000772984311 1049211611 /nfs/dbraw/zinc/21/16/11/1049211611.db2.gz DHPBCBDYWWOMPV-GOEBONIOSA-N 1 0 344.480 4.158 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000772983847 1049215796 /nfs/dbraw/zinc/21/57/96/1049215796.db2.gz LLPUJGMMFVMBGG-IRLDBZIGSA-N 1 0 334.463 4.478 20 30 EIEDRO C=CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000819073373 1049258858 /nfs/dbraw/zinc/25/88/58/1049258858.db2.gz CWAYRSPEINKEPE-IAGOWNOFSA-N 1 0 336.357 4.041 20 30 EIEDRO C=CC[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000819073375 1049259983 /nfs/dbraw/zinc/25/99/83/1049259983.db2.gz CWAYRSPEINKEPE-SJORKVTESA-N 1 0 336.357 4.041 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000772986703 1049266011 /nfs/dbraw/zinc/26/60/11/1049266011.db2.gz CWKZRLMJROKKTM-KRWDZBQOSA-N 1 0 345.446 4.044 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2cc3ccccc3[nH]2)c1 ZINC000135932617 1049294830 /nfs/dbraw/zinc/29/48/30/1049294830.db2.gz QVLFNTMGHNNARB-UHFFFAOYSA-N 1 0 333.435 4.183 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000772989605 1049296416 /nfs/dbraw/zinc/29/64/16/1049296416.db2.gz WTYAQZMEQPYXLQ-KRWDZBQOSA-N 1 0 345.446 4.044 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1sc(C(C)C)nc1C ZINC000772988922 1049301606 /nfs/dbraw/zinc/30/16/06/1049301606.db2.gz UBRUDILPRCITGN-AWEZNQCLSA-N 1 0 328.481 4.438 20 30 EIEDRO C[C@H](C#N)c1cccc(C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)c1 ZINC001148618873 1049346023 /nfs/dbraw/zinc/34/60/23/1049346023.db2.gz SFBDNYIDOACAAF-MRXNPFEDSA-N 1 0 347.462 4.375 20 30 EIEDRO C=CCC1(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCCCC1 ZINC001136254442 1049364719 /nfs/dbraw/zinc/36/47/19/1049364719.db2.gz OQHHCQDGJZBQFR-OALUTQOASA-N 1 0 334.548 4.387 20 30 EIEDRO C[N@@H+](CC#Cc1ccc(F)cc1)CCc1cccc(Br)c1 ZINC001170662004 1049366228 /nfs/dbraw/zinc/36/62/28/1049366228.db2.gz RRHYTMKFOPFQNX-UHFFFAOYSA-N 1 0 346.243 4.114 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000079393328 1049395638 /nfs/dbraw/zinc/39/56/38/1049395638.db2.gz DBMNLLPPOLMJPB-QGZVFWFLSA-N 1 0 349.544 4.100 20 30 EIEDRO CC(N=Nc1ccccc1F)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000812459611 1049481618 /nfs/dbraw/zinc/48/16/18/1049481618.db2.gz CRPOPRHNNMWVDS-UHFFFAOYSA-N 1 0 341.430 4.353 20 30 EIEDRO C=CCCCCCCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000812493964 1049496066 /nfs/dbraw/zinc/49/60/66/1049496066.db2.gz CBXDCHWCZCNENX-UHFFFAOYSA-N 1 0 335.536 4.173 20 30 EIEDRO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]Cc1ccc(C#N)cn1 ZINC000812732286 1049553350 /nfs/dbraw/zinc/55/33/50/1049553350.db2.gz ZJAYIBICLIHFJW-HNNXBMFYSA-N 1 0 332.451 4.281 20 30 EIEDRO C=CCOc1ccccc1[C@@H](C)Nc1cc[nH+]c(NC(=O)CC)c1 ZINC001171376518 1049557711 /nfs/dbraw/zinc/55/77/11/1049557711.db2.gz YTKLQMRXNBTYHV-CQSZACIVSA-N 1 0 325.412 4.168 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000773104895 1049583433 /nfs/dbraw/zinc/58/34/33/1049583433.db2.gz GQVLRLJFDTWMFY-DNVCBOLYSA-N 1 0 332.447 4.332 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000773104900 1049584478 /nfs/dbraw/zinc/58/44/78/1049584478.db2.gz GQVLRLJFDTWMFY-KXBFYZLASA-N 1 0 332.447 4.332 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](CC)Cc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000773114778 1049590515 /nfs/dbraw/zinc/59/05/15/1049590515.db2.gz JVCFZNALUCKLPE-PMACEKPBSA-N 1 0 337.463 4.379 20 30 EIEDRO Cc1ccc(SCC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237571343 1049619183 /nfs/dbraw/zinc/61/91/83/1049619183.db2.gz OSXKMURFOATWMW-MRXNPFEDSA-N 1 0 326.465 4.168 20 30 EIEDRO C[N@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812881169 1049620435 /nfs/dbraw/zinc/62/04/35/1049620435.db2.gz MJCNVDWBQQYKRZ-SJORKVTESA-N 1 0 340.389 4.380 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000237608234 1049659684 /nfs/dbraw/zinc/65/96/84/1049659684.db2.gz YQCRHZYLRYMUAY-ZNLUXHQJSA-N 1 0 334.463 4.478 20 30 EIEDRO C=C[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+]1CCCC)c1ccccc1 ZINC001136465942 1049664227 /nfs/dbraw/zinc/66/42/27/1049664227.db2.gz ZEKFHFDODUHLHM-ICSRJNTNSA-N 1 0 328.500 4.117 20 30 EIEDRO N#Cc1ccc(CN(Cc2c(C3CC3)nc3sccn23)C2CC2)cc1 ZINC000179678999 1049709611 /nfs/dbraw/zinc/70/96/11/1049709611.db2.gz QSWANPIAERZHHY-UHFFFAOYSA-N 1 0 348.475 4.309 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171590918 1049752311 /nfs/dbraw/zinc/75/23/11/1049752311.db2.gz SGKGCLJIQCWPMZ-BZUAXINKSA-N 1 0 337.508 4.082 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171592095 1049752606 /nfs/dbraw/zinc/75/26/06/1049752606.db2.gz YYGUUWKKIOCHEZ-TWOQFEAHSA-N 1 0 336.520 4.192 20 30 EIEDRO N#Cc1ccc(C2([NH2+]CCCOCCc3ccccc3)CCC2)cc1 ZINC001171566885 1049758428 /nfs/dbraw/zinc/75/84/28/1049758428.db2.gz BLIOBZQRDAEDDG-UHFFFAOYSA-N 1 0 334.463 4.176 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccncc1 ZINC000822455330 1049764879 /nfs/dbraw/zinc/76/48/79/1049764879.db2.gz CPBOSRMRMPLYTF-NXHRZFHOSA-N 1 0 345.487 4.076 20 30 EIEDRO CC[N@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171602888 1049765791 /nfs/dbraw/zinc/76/57/91/1049765791.db2.gz AFIGXWIRBHOSJA-HZPDHXFCSA-N 1 0 337.508 4.036 20 30 EIEDRO C=C[C@@H](CC(=O)N(CC[NH+](C)C)C1CCCCC1)c1ccccc1 ZINC001136627196 1049799177 /nfs/dbraw/zinc/79/91/77/1049799177.db2.gz ZYRACNIIMILISQ-SFHVURJKSA-N 1 0 328.500 4.069 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC)c1ccncc1 ZINC000747872336 1049811554 /nfs/dbraw/zinc/81/15/54/1049811554.db2.gz WPSOFKGAFPKKLA-KUHUBIRLSA-N 1 0 339.439 4.017 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2(CC#N)CCCC2)CC12CCC2 ZINC001171845967 1049812862 /nfs/dbraw/zinc/81/28/62/1049812862.db2.gz OGCCOUNRYZYWDC-INIZCTEOSA-N 1 0 347.503 4.125 20 30 EIEDRO CC[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 ZINC001171915581 1049819574 /nfs/dbraw/zinc/81/95/74/1049819574.db2.gz HNJGWUMMHRWAOX-NKELODKYSA-N 1 0 342.483 4.499 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171941519 1049830788 /nfs/dbraw/zinc/83/07/88/1049830788.db2.gz XSWWSTJARGDQLK-BQJIDLTASA-N 1 0 345.483 4.414 20 30 EIEDRO CC(C)C[C@](C)(C#N)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978880 1049839123 /nfs/dbraw/zinc/83/91/23/1049839123.db2.gz MNNCVAHNOBVRKJ-PZJWPPBQSA-N 1 0 327.516 4.348 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172051070 1049842830 /nfs/dbraw/zinc/84/28/30/1049842830.db2.gz DYPPQQSLOLNEHW-SJORKVTESA-N 1 0 349.519 4.371 20 30 EIEDRO CCCCN(CC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172084100 1049847391 /nfs/dbraw/zinc/84/73/91/1049847391.db2.gz UNZCGQROKSZRPP-WKCHPHFGSA-N 1 0 325.500 4.198 20 30 EIEDRO CC(C)[C@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063584 1049850065 /nfs/dbraw/zinc/85/00/65/1049850065.db2.gz BYQNDZYEDWEUIZ-WOZUAGRISA-N 1 0 325.500 4.100 20 30 EIEDRO C#CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC001172068228 1049851007 /nfs/dbraw/zinc/85/10/07/1049851007.db2.gz JAWSSJTZQXILLN-DKUWSORSSA-N 1 0 336.523 4.498 20 30 EIEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC3CCC(C)(C#N)CC3)cc2)C1 ZINC000823529591 1049854964 /nfs/dbraw/zinc/85/49/64/1049854964.db2.gz VTDVSQLCLQXUSS-FQVISZRSSA-N 1 0 341.499 4.292 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000823616822 1049863265 /nfs/dbraw/zinc/86/32/65/1049863265.db2.gz CCJBUJOEXBWJLM-KPZWWZAWSA-N 1 0 332.806 4.077 20 30 EIEDRO N#Cc1cccc(C2CC[NH+]([C@@H]3CSc4ccccc4C3)CC2)c1 ZINC001172200345 1049869399 /nfs/dbraw/zinc/86/93/99/1049869399.db2.gz AEXGIRWMCDQJRV-FQEVSTJZSA-N 1 0 334.488 4.455 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC001172301463 1049873017 /nfs/dbraw/zinc/87/30/17/1049873017.db2.gz PDOYGXPWPFLGJI-WTNAPCKOSA-N 1 0 334.463 4.217 20 30 EIEDRO COc1cccc(CC2([NH2+][C@@H](C)Cc3ccc(C#N)cc3)CCC2)c1 ZINC001172300492 1049873354 /nfs/dbraw/zinc/87/33/54/1049873354.db2.gz WZSQCWYESSEXFD-KRWDZBQOSA-N 1 0 334.463 4.253 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001172306209 1049873702 /nfs/dbraw/zinc/87/37/02/1049873702.db2.gz JEJJCDOHMSZHKY-MRXNPFEDSA-N 1 0 338.426 4.172 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)cccc1Br ZINC001172305694 1049873979 /nfs/dbraw/zinc/87/39/79/1049873979.db2.gz UGQUINILJGTVRR-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccc(Cl)cn1)C1CC1 ZINC001172303923 1049874164 /nfs/dbraw/zinc/87/41/64/1049874164.db2.gz FYRPWMOWSMVPFZ-YJYMSZOUSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001172309767 1049874627 /nfs/dbraw/zinc/87/46/27/1049874627.db2.gz WVZRLVKAPPZJOY-INIZCTEOSA-N 1 0 344.462 4.179 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001172309400 1049874639 /nfs/dbraw/zinc/87/46/39/1049874639.db2.gz TYJMGMNEMZIWGQ-CQSZACIVSA-N 1 0 347.384 4.078 20 30 EIEDRO Cc1cccc(OC2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172310557 1049874706 /nfs/dbraw/zinc/87/47/06/1049874706.db2.gz GGDNKVVGQBVMGJ-SFHVURJKSA-N 1 0 334.463 4.341 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC001172308017 1049874978 /nfs/dbraw/zinc/87/49/78/1049874978.db2.gz SKHBYMILQXJMDP-MRXNPFEDSA-N 1 0 338.426 4.172 20 30 EIEDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172313498 1049875453 /nfs/dbraw/zinc/87/54/53/1049875453.db2.gz XZWVFNJMGWBPFQ-IIBYNOLFSA-N 1 0 348.446 4.113 20 30 EIEDRO Cc1cc(C[N@H+](Cc2ccccc2)[C@H](C)Cc2ccc(C#N)cc2)on1 ZINC001172311701 1049875502 /nfs/dbraw/zinc/87/55/02/1049875502.db2.gz WELULNZQBWBFLK-GOSISDBHSA-N 1 0 345.446 4.488 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001172313100 1049875533 /nfs/dbraw/zinc/87/55/33/1049875533.db2.gz PAIDQCRGGZZOSQ-WMZHIEFXSA-N 1 0 347.506 4.086 20 30 EIEDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172311918 1049875808 /nfs/dbraw/zinc/87/58/08/1049875808.db2.gz CJNPGTSZKZODCI-KKSFZXQISA-N 1 0 348.446 4.113 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC001172318514 1049876407 /nfs/dbraw/zinc/87/64/07/1049876407.db2.gz GWFDCRUJIUTFAP-GOSISDBHSA-N 1 0 346.474 4.053 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001172321067 1049877440 /nfs/dbraw/zinc/87/74/40/1049877440.db2.gz YMNFIRRJLGGHHM-CQSZACIVSA-N 1 0 333.410 4.101 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(OCC#N)cc1 ZINC000823830880 1049878464 /nfs/dbraw/zinc/87/84/64/1049878464.db2.gz ICVAGYJNJLPUJU-BDJLRTHQSA-N 1 0 346.352 4.344 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC001172292049 1049880890 /nfs/dbraw/zinc/88/08/90/1049880890.db2.gz MTOYRIVWGNZIIM-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@H](C)Cc1ccc(C#N)cc1 ZINC001172295476 1049881521 /nfs/dbraw/zinc/88/15/21/1049881521.db2.gz RYMYASKWGJNHFJ-JKSUJKDBSA-N 1 0 347.462 4.215 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1Br ZINC001172295346 1049881757 /nfs/dbraw/zinc/88/17/57/1049881757.db2.gz QRHZKKNBJFTRAD-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO COc1ccc2cccc(CC[NH2+][C@@H](C)Cc3ccc(C#N)cc3)c2c1 ZINC001172298616 1049882601 /nfs/dbraw/zinc/88/26/01/1049882601.db2.gz ZEDIQASKSZTOGM-KRWDZBQOSA-N 1 0 344.458 4.483 20 30 EIEDRO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172299200 1049882607 /nfs/dbraw/zinc/88/26/07/1049882607.db2.gz KEWYOMBGKXUJEG-APWZRJJASA-N 1 0 344.499 4.225 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001172298907 1049882659 /nfs/dbraw/zinc/88/26/59/1049882659.db2.gz DYNLBPJZJVQZKN-KPZWWZAWSA-N 1 0 349.261 4.119 20 30 EIEDRO COc1ccccc1CC1(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299383 1049882759 /nfs/dbraw/zinc/88/27/59/1049882759.db2.gz JZFVYKDDNLKZEQ-QGZVFWFLSA-N 1 0 334.463 4.110 20 30 EIEDRO COc1ccc(CC2(C[NH2+][C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172299331 1049882773 /nfs/dbraw/zinc/88/27/73/1049882773.db2.gz JPEPLSCXWWMZFK-KRWDZBQOSA-N 1 0 334.463 4.110 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)NC(=[NH2+])Cc1cccc(C(F)(F)F)c1 ZINC001172299096 1049882924 /nfs/dbraw/zinc/88/29/24/1049882924.db2.gz JAWHSQYPJDECGJ-CYBMUJFWSA-N 1 0 345.368 4.318 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1cncc(Cl)c1)C1CC1 ZINC001172299436 1049883007 /nfs/dbraw/zinc/88/30/07/1049883007.db2.gz KNUIJLYVULMNMI-YJYMSZOUSA-N 1 0 325.843 4.279 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)[C@H]2CC ZINC001172373468 1049883491 /nfs/dbraw/zinc/88/34/91/1049883491.db2.gz MPHWIZYYOOLQOZ-TYZHSBRISA-N 1 0 332.532 4.233 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)C[C@H](C)O1 ZINC000823904516 1049884149 /nfs/dbraw/zinc/88/41/49/1049884149.db2.gz HJQREBYNVRMABU-HALDLXJZSA-N 1 0 326.465 4.332 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)[C@H]2CC ZINC001172373458 1049884144 /nfs/dbraw/zinc/88/41/44/1049884144.db2.gz MPHWIZYYOOLQOZ-IYWGDAJJSA-N 1 0 332.532 4.233 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000823882032 1049884816 /nfs/dbraw/zinc/88/48/16/1049884816.db2.gz IBBPITOETCEQDX-NZEHOUKNSA-N 1 0 349.519 4.132 20 30 EIEDRO C#CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000823949188 1049887188 /nfs/dbraw/zinc/88/71/88/1049887188.db2.gz CGSNTXXJGCAMLK-OALUTQOASA-N 1 0 342.483 4.130 20 30 EIEDRO CCCCCCC[C@H](CC)N(c1ccccc1C[NH3+])S(C)(=O)=O ZINC001172349478 1049891271 /nfs/dbraw/zinc/89/12/71/1049891271.db2.gz CWWAZOBLVIXSOH-KRWDZBQOSA-N 1 0 340.533 4.050 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]Cc1ncc(Br)cn1 ZINC001172351096 1049892338 /nfs/dbraw/zinc/89/23/38/1049892338.db2.gz SGDOLCBICSXJGY-CQSZACIVSA-N 1 0 328.298 4.468 20 30 EIEDRO CCCCCCC[C@H](CC)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001172355416 1049894321 /nfs/dbraw/zinc/89/43/21/1049894321.db2.gz BPEWUAMFVBMLKR-OALUTQOASA-N 1 0 334.552 4.016 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001172356859 1049894628 /nfs/dbraw/zinc/89/46/28/1049894628.db2.gz YVGUEECZSWUJOV-MRXNPFEDSA-N 1 0 349.519 4.310 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001172355101 1049894680 /nfs/dbraw/zinc/89/46/80/1049894680.db2.gz NEEGEPUMAUXWIP-MOPGFXCFSA-N 1 0 335.536 4.491 20 30 EIEDRO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H](CC)CCCCCCC ZINC001172358665 1049895257 /nfs/dbraw/zinc/89/52/57/1049895257.db2.gz SBDXIGYPFFNTEO-IEBWSBKVSA-N 1 0 348.535 4.056 20 30 EIEDRO N#Cc1cnc(Nc2cccc(C[NH+]3CCCCC3)c2)c(Cl)c1 ZINC001204088225 1049895585 /nfs/dbraw/zinc/89/55/85/1049895585.db2.gz ZGIKOXPIFPOPFS-UHFFFAOYSA-N 1 0 326.831 4.336 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001172359288 1049895591 /nfs/dbraw/zinc/89/55/91/1049895591.db2.gz UUXQFYRQQQXAEH-ROUUACIJSA-N 1 0 335.536 4.495 20 30 EIEDRO CC(C)[NH+]1CCC(NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000180463528 1049903197 /nfs/dbraw/zinc/90/31/97/1049903197.db2.gz OYKOSKJWALTSIF-UHFFFAOYSA-N 1 0 333.479 4.188 20 30 EIEDRO CC(C)COCC[C@@H](C)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001172481394 1049910011 /nfs/dbraw/zinc/91/00/11/1049910011.db2.gz RUAPOGKTOAPAGE-QGZVFWFLSA-N 1 0 332.463 4.134 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001172481751 1049910134 /nfs/dbraw/zinc/91/01/34/1049910134.db2.gz XKKRWMNAUUEKJS-INIZCTEOSA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CC1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001172481752 1049910452 /nfs/dbraw/zinc/91/04/52/1049910452.db2.gz XKKRWMNAUUEKJS-MRXNPFEDSA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@H](CCCC#N)n1cc(CC[NH3+])c2cccc(Br)c21 ZINC001172484382 1049911450 /nfs/dbraw/zinc/91/14/50/1049911450.db2.gz DUHBBFAJEGZQLU-GFCCVEGCSA-N 1 0 334.261 4.160 20 30 EIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180556750 1049915748 /nfs/dbraw/zinc/91/57/48/1049915748.db2.gz CCMKHUMULFSRCX-FQEVSTJZSA-N 1 0 326.415 4.085 20 30 EIEDRO N#Cc1ccc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1F ZINC000616773395 1049917531 /nfs/dbraw/zinc/91/75/31/1049917531.db2.gz NYQMNJJRBGZXHX-NRFANRHFSA-N 1 0 337.442 4.014 20 30 EIEDRO C[C@H](CCCC#N)n1cc(CC[NH3+])c2cc(OC(F)(F)F)ccc21 ZINC001172489364 1049920698 /nfs/dbraw/zinc/92/06/98/1049920698.db2.gz QAJQLVOQUQMSCM-GFCCVEGCSA-N 1 0 339.361 4.296 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CC[C@H](NC(=O)COC)CC1 ZINC001172501499 1049922720 /nfs/dbraw/zinc/92/27/20/1049922720.db2.gz CVQNJFCQXAVQBB-GUDVDZBRSA-N 1 0 340.552 4.179 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCC(C(=O)c2cnc3ccccc3c2)CC1 ZINC001172501613 1049922848 /nfs/dbraw/zinc/92/28/48/1049922848.db2.gz DXOYGXTZBUSXQM-INIZCTEOSA-N 1 0 335.451 4.212 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC001172499461 1049922928 /nfs/dbraw/zinc/92/29/28/1049922928.db2.gz DEQFWDMFKUZKGP-CYBMUJFWSA-N 1 0 326.271 4.198 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001172498901 1049923241 /nfs/dbraw/zinc/92/32/41/1049923241.db2.gz SQEJRGLQOGDTJX-RXVVDRJESA-N 1 0 325.500 4.198 20 30 EIEDRO CCCCCCCC[C@H](CC)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001172503771 1049923851 /nfs/dbraw/zinc/92/38/51/1049923851.db2.gz ASJCFAMLVIFXFR-PMACEKPBSA-N 1 0 348.579 4.406 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+]Cc1cc(OCCOC)ncn1 ZINC001172503179 1049924236 /nfs/dbraw/zinc/92/42/36/1049924236.db2.gz PGBPCJPXWHGUJX-QGZVFWFLSA-N 1 0 337.508 4.121 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001172505990 1049924339 /nfs/dbraw/zinc/92/43/39/1049924339.db2.gz YQDBVOBQWACBMB-KRWDZBQOSA-N 1 0 336.520 4.034 20 30 EIEDRO CCCCCCCC[C@H](CC)[N@@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001172505244 1049924491 /nfs/dbraw/zinc/92/44/91/1049924491.db2.gz KWLUYUAFVIBWBG-OKYOBFRVSA-N 1 0 339.520 4.168 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC001172506847 1049925359 /nfs/dbraw/zinc/92/53/59/1049925359.db2.gz KNXSXXVDWYTRBD-OAHLLOKOSA-N 1 0 342.874 4.093 20 30 EIEDRO CCCCCCC[C@@H](CCC)NC1(C(=O)OCC)CC[NH+](C)CC1 ZINC001172509339 1049925723 /nfs/dbraw/zinc/92/57/23/1049925723.db2.gz WIASPAFUKKKMQO-GOSISDBHSA-N 1 0 340.552 4.133 20 30 EIEDRO C[C@H](CCCC#N)[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001172509368 1049925909 /nfs/dbraw/zinc/92/59/09/1049925909.db2.gz KKUIIOGPTREFKT-SJORKVTESA-N 1 0 349.519 4.180 20 30 EIEDRO CC[C@H]1CC[C@H](C2CCC(NC3(C#N)CC[NH+](C)CC3)CC2)CC1 ZINC001172586947 1049952755 /nfs/dbraw/zinc/95/27/55/1049952755.db2.gz LCDKWVDDJLPBBA-RTWGARKQSA-N 1 0 331.548 4.339 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C2)C1 ZINC001172651931 1049956359 /nfs/dbraw/zinc/95/63/59/1049956359.db2.gz UMAOLQGTNHLSAH-QYZOEREBSA-N 1 0 348.531 4.290 20 30 EIEDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000617556611 1050050466 /nfs/dbraw/zinc/05/04/66/1050050466.db2.gz TUNCUNBXJSTJCB-UHFFFAOYSA-N 1 0 338.499 4.159 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763493923 1050115295 /nfs/dbraw/zinc/11/52/95/1050115295.db2.gz UNXSTSJRZQIRLY-VLIAUNLRSA-N 1 0 340.854 4.471 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172795962 1050160303 /nfs/dbraw/zinc/16/03/03/1050160303.db2.gz DFFBUWANIRCXKM-YESZJQIVSA-N 1 0 331.456 4.024 20 30 EIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCOc1ccccc1C#N ZINC001172856862 1050194181 /nfs/dbraw/zinc/19/41/81/1050194181.db2.gz AEQLTZVGBPZPQK-CQSZACIVSA-N 1 0 346.833 4.340 20 30 EIEDRO CCC[C@H]1CN(c2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001185930987 1050197107 /nfs/dbraw/zinc/19/71/07/1050197107.db2.gz PWAIETSBHZGTOL-SFHVURJKSA-N 1 0 337.442 4.188 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3c(C#N)ccc(F)c3F)cc2)CC1 ZINC001212692269 1050244863 /nfs/dbraw/zinc/24/48/63/1050244863.db2.gz KGKYECRDMMHIFP-UHFFFAOYSA-N 1 0 327.378 4.389 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC(C)(C)C1 ZINC001172973717 1050251835 /nfs/dbraw/zinc/25/18/35/1050251835.db2.gz GZAZKWBSPFRENW-TWMKSMIVSA-N 1 0 349.519 4.082 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C(C)(C)C)CC2)C[C@H]1C#N ZINC001172980179 1050253760 /nfs/dbraw/zinc/25/37/60/1050253760.db2.gz LHMXWOCPWGZZRP-SJORKVTESA-N 1 0 349.519 4.036 20 30 EIEDRO CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172985308 1050254736 /nfs/dbraw/zinc/25/47/36/1050254736.db2.gz QJQWLBJMZRJXRY-SJORKVTESA-N 1 0 337.508 4.180 20 30 EIEDRO C=CCSCC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774995842 1050274399 /nfs/dbraw/zinc/27/43/99/1050274399.db2.gz YTSXRICADIVDGK-UHFFFAOYSA-N 1 0 343.315 4.068 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001173088235 1050280478 /nfs/dbraw/zinc/28/04/78/1050280478.db2.gz QHXGRABQYAMEAD-QCEMKRCNSA-N 1 0 338.373 4.283 20 30 EIEDRO Cc1cc(F)c(C#N)c(N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC001186380793 1050316089 /nfs/dbraw/zinc/31/60/89/1050316089.db2.gz NAWJUDBHKZIAHY-MGPUTAFESA-N 1 0 325.431 4.418 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cc2ccccc2cc1OC ZINC001177881012 1050331423 /nfs/dbraw/zinc/33/14/23/1050331423.db2.gz WQOTWJKPVQKSRS-UHFFFAOYSA-N 1 0 331.415 4.150 20 30 EIEDRO CO[C@@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000618305220 1050335619 /nfs/dbraw/zinc/33/56/19/1050335619.db2.gz IYZZJGGECDXOFB-JOCHJYFZSA-N 1 0 348.490 4.387 20 30 EIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Oc1ccccc1F ZINC000181857994 1050354253 /nfs/dbraw/zinc/35/42/53/1050354253.db2.gz PDKMSNYCANQILS-DOTOQJQBSA-N 1 0 342.414 4.236 20 30 EIEDRO CCc1ccc([C@@H](CNc2ncc(C#N)cc2F)[NH+](CC)CC)cc1 ZINC001186593213 1050372932 /nfs/dbraw/zinc/37/29/32/1050372932.db2.gz AJZDIZKMLMJAFX-LJQANCHMSA-N 1 0 340.446 4.150 20 30 EIEDRO C=CCOCc1ncn2c1C[N@H+]([C@@H](CCCC)CC(C)C)CCC2 ZINC001173261572 1050386812 /nfs/dbraw/zinc/38/68/12/1050386812.db2.gz PCAGIHRQSLDDGH-SFHVURJKSA-N 1 0 333.520 4.396 20 30 EIEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[C@@H](CC)C3)CC2)C1 ZINC001173275400 1050394396 /nfs/dbraw/zinc/39/43/96/1050394396.db2.gz VADQQHPRYNNOLB-QZTJIDSGSA-N 1 0 334.504 4.066 20 30 EIEDRO CCCCCCCC[C@H](CCC)[NH2+]C1CCN(C(=O)COC)CC1 ZINC001173310024 1050403121 /nfs/dbraw/zinc/40/31/21/1050403121.db2.gz NTUXXVXXTSRSCE-SFHVURJKSA-N 1 0 340.552 4.133 20 30 EIEDRO C=CCOC1CCC(n2cc(C[C@@H](C)[NH3+])c3cc(OC)ccc32)CC1 ZINC001173312935 1050405973 /nfs/dbraw/zinc/40/59/73/1050405973.db2.gz NJYUEFLSIYHPAW-FAEJEUNOSA-N 1 0 342.483 4.226 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cc2c(cc1OC)OCO2)c1ccccc1 ZINC001178249704 1050411347 /nfs/dbraw/zinc/41/13/47/1050411347.db2.gz RYNHQWWTSFVZQJ-KRWDZBQOSA-N 1 0 325.408 4.221 20 30 EIEDRO Cc1ccc(SCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181999818 1050413907 /nfs/dbraw/zinc/41/39/07/1050413907.db2.gz IOFGMRIWKIVADB-INIZCTEOSA-N 1 0 326.465 4.340 20 30 EIEDRO C=CCOC1CCC([N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001173323269 1050415792 /nfs/dbraw/zinc/41/57/92/1050415792.db2.gz BEODOMVOUUJCOD-ATKRNPRHSA-N 1 0 342.527 4.097 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2ccc(C(=O)OC)cc2)CC1 ZINC001173325325 1050417262 /nfs/dbraw/zinc/41/72/62/1050417262.db2.gz JDFVSYXHCLVARJ-SOAGJPPSSA-N 1 0 343.467 4.124 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173324090 1050417469 /nfs/dbraw/zinc/41/74/69/1050417469.db2.gz HZZQPDZATGGPBJ-UHFFFAOYSA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173324510 1050418106 /nfs/dbraw/zinc/41/81/06/1050418106.db2.gz OQJIOQCEMKEZQK-BFWZDYSYSA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(CC#N)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC001173329818 1050419550 /nfs/dbraw/zinc/41/95/50/1050419550.db2.gz NZCIRYQKBGKLMW-FLPIEVNYSA-N 1 0 348.490 4.373 20 30 EIEDRO N#CCC1CCC([NH2+]C2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001173331476 1050422841 /nfs/dbraw/zinc/42/28/41/1050422841.db2.gz DBYRVDOBFLNDTR-UHFFFAOYSA-N 1 0 332.875 4.408 20 30 EIEDRO Cc1c(F)cccc1CN1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173331416 1050423303 /nfs/dbraw/zinc/42/33/03/1050423303.db2.gz CFXSRVRNUMBQQT-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(Br)c1 ZINC000618573732 1050423929 /nfs/dbraw/zinc/42/39/29/1050423929.db2.gz PFTJUKXIFAKLPZ-WZRBSPASSA-N 1 0 325.225 4.321 20 30 EIEDRO COc1cc(Cl)cc([C@H](C)[NH2+]C2CCC(CC#N)CC2)c1OC ZINC001173334266 1050426005 /nfs/dbraw/zinc/42/60/05/1050426005.db2.gz OTKRDWFPBCMYHC-OPFPJEHXSA-N 1 0 336.863 4.480 20 30 EIEDRO N#CCC1CCC([N@@H+]2CCc3ccc(Br)cc3C2)CC1 ZINC001173338471 1050427570 /nfs/dbraw/zinc/42/75/70/1050427570.db2.gz FQIQFSBXDIVSAV-UHFFFAOYSA-N 1 0 333.273 4.280 20 30 EIEDRO COc1ccc([C@H]2CSCC[N@@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173339461 1050428070 /nfs/dbraw/zinc/42/80/70/1050428070.db2.gz PIVMIMUYABJJBO-GXOAENINSA-N 1 0 330.497 4.258 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC001173318013 1050441283 /nfs/dbraw/zinc/44/12/83/1050441283.db2.gz NGTBDDVTNMHSTP-UHFFFAOYSA-N 1 0 338.289 4.361 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCc3ccccc3C2)cc1OC ZINC001178345610 1050441307 /nfs/dbraw/zinc/44/13/07/1050441307.db2.gz BBSVEOUPSRBDOG-KRWDZBQOSA-N 1 0 337.463 4.155 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2ccccc2OC(F)F)cc1 ZINC001178509077 1050484728 /nfs/dbraw/zinc/48/47/28/1050484728.db2.gz DNFKXFUIUVAAQD-UHFFFAOYSA-N 1 0 344.405 4.421 20 30 EIEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586501 1050492603 /nfs/dbraw/zinc/49/26/03/1050492603.db2.gz ACFVRBPERPTMQY-NZEHOUKNSA-N 1 0 349.519 4.084 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](CO)c2cc(Cl)cc(Cl)c2)CC1 ZINC001173588760 1050494669 /nfs/dbraw/zinc/49/46/69/1050494669.db2.gz RNYUCCXMABVMQE-HWOWSKLDSA-N 1 0 327.255 4.089 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1C(F)(F)F ZINC001173588610 1050494699 /nfs/dbraw/zinc/49/46/99/1050494699.db2.gz HBXDFZXXSPDAEQ-UHFFFAOYSA-N 1 0 326.362 4.276 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001173591036 1050494739 /nfs/dbraw/zinc/49/47/39/1050494739.db2.gz HWEVLFPMFYCEJE-ADKAHSJRSA-N 1 0 347.300 4.368 20 30 EIEDRO COc1cc(C[NH2+]C2CCC(C)(C#N)CC2)ccc1Br ZINC001173593507 1050496849 /nfs/dbraw/zinc/49/68/49/1050496849.db2.gz RBSXAHHBZBVBSA-UHFFFAOYSA-N 1 0 337.261 4.020 20 30 EIEDRO COc1cccc(-c2nc(C[NH2+]C3CCC(C)(C#N)CC3)cs2)c1 ZINC001173591987 1050497227 /nfs/dbraw/zinc/49/72/27/1050497227.db2.gz BEZZBKHPRLKJBZ-UHFFFAOYSA-N 1 0 341.480 4.381 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC001178542592 1050498219 /nfs/dbraw/zinc/49/82/19/1050498219.db2.gz NAGBGAYOWCCWGQ-QHCPKHFHSA-N 1 0 347.506 4.175 20 30 EIEDRO C[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001173597339 1050498961 /nfs/dbraw/zinc/49/89/61/1050498961.db2.gz PLULAPTUUDWUNP-IGBVOLGGSA-N 1 0 325.500 4.054 20 30 EIEDRO COc1ccccc1OCC1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173597017 1050499503 /nfs/dbraw/zinc/49/95/03/1050499503.db2.gz DIZWCVRBYDAPOD-UHFFFAOYSA-N 1 0 342.483 4.258 20 30 EIEDRO CC(C)[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173597252 1050500560 /nfs/dbraw/zinc/50/05/60/1050500560.db2.gz NJFDCENMAFJXJJ-GNZRSQJKSA-N 1 0 349.519 4.179 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000618742668 1050501948 /nfs/dbraw/zinc/50/19/48/1050501948.db2.gz OTNBTASTFUGQLW-INIZCTEOSA-N 1 0 332.325 4.076 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173600610 1050503143 /nfs/dbraw/zinc/50/31/43/1050503143.db2.gz GNDQFIWEYRJRPW-YFPREOMMSA-N 1 0 346.515 4.434 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(Br)c1 ZINC000618743084 1050504401 /nfs/dbraw/zinc/50/44/01/1050504401.db2.gz WDKOWXKVYYQJDC-KRWDZBQOSA-N 1 0 327.225 4.098 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC001178561183 1050507276 /nfs/dbraw/zinc/50/72/76/1050507276.db2.gz DCKSJTWBPJQHLS-UHFFFAOYSA-N 1 0 330.325 4.144 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1C)[C@H](C)C(=O)Nc1ccccc1C ZINC000618778733 1050516160 /nfs/dbraw/zinc/51/61/60/1050516160.db2.gz OECIFCBCQBFFKD-GOSISDBHSA-N 1 0 349.478 4.414 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(Cl)c(C)c2Cl)ccc1C#N ZINC001178646740 1050522940 /nfs/dbraw/zinc/52/29/40/1050522940.db2.gz ALVJARIYEJAWFI-UHFFFAOYSA-N 1 0 335.234 4.472 20 30 EIEDRO CC(C)C[C@@](C)(C#N)NC1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173680049 1050527365 /nfs/dbraw/zinc/52/73/65/1050527365.db2.gz MHOGFWAAAZWRLM-CLCXKQKWSA-N 1 0 337.508 4.081 20 30 EIEDRO CCOC(=O)C[C@@H]1CC[C@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001173646376 1050534008 /nfs/dbraw/zinc/53/40/08/1050534008.db2.gz YVKOUFBRBOBWOU-MJGOQNOKSA-N 1 0 334.504 4.437 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000618807075 1050535525 /nfs/dbraw/zinc/53/55/25/1050535525.db2.gz SPOMFWJGVLZVPP-IERDGZPVSA-N 1 0 347.462 4.169 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccccc1OC(F)F ZINC000618807916 1050535909 /nfs/dbraw/zinc/53/59/09/1050535909.db2.gz YBOUFRMHNMQLTD-SJCJKPOMSA-N 1 0 328.362 4.498 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3Cl)nc2C)cc1 ZINC001178758688 1050547297 /nfs/dbraw/zinc/54/72/97/1050547297.db2.gz DTEQBHXVOYAURN-UHFFFAOYSA-N 1 0 335.838 4.105 20 30 EIEDRO C#CC(CC)(CC)[NH2+]C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173778785 1050569169 /nfs/dbraw/zinc/56/91/69/1050569169.db2.gz CLPINOSEVCKBPH-UHFFFAOYSA-N 1 0 327.468 4.420 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH+]3CCC(C)(C#N)CC3)CC2)cc1 ZINC001173793773 1050573865 /nfs/dbraw/zinc/57/38/65/1050573865.db2.gz DZEOBQFPEXXKPU-UHFFFAOYSA-N 1 0 340.467 4.264 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cc1OC ZINC000093453428 1050607018 /nfs/dbraw/zinc/60/70/18/1050607018.db2.gz APSCXRJNOVPKEF-LJQANCHMSA-N 1 0 338.451 4.301 20 30 EIEDRO N#Cc1ccc(CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC001179143445 1050632522 /nfs/dbraw/zinc/63/25/22/1050632522.db2.gz WQKXIQWWOGUUNS-UHFFFAOYSA-N 1 0 347.393 4.217 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1cccc(Br)c1C#N ZINC001173932669 1050653055 /nfs/dbraw/zinc/65/30/55/1050653055.db2.gz VVROCEWCQNDVGI-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO C#CC[C@H](COC)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001179291650 1050664840 /nfs/dbraw/zinc/66/48/40/1050664840.db2.gz SNCHBPSGJYEZIM-QGZVFWFLSA-N 1 0 331.500 4.115 20 30 EIEDRO Fc1ccc(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1C(F)(F)F ZINC001179570244 1050719656 /nfs/dbraw/zinc/71/96/56/1050719656.db2.gz CXQROJMIGJOTAI-SKDRFNHKSA-N 1 0 345.258 4.044 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)c(C)c1Br ZINC001179593077 1050726626 /nfs/dbraw/zinc/72/66/26/1050726626.db2.gz MTLRTZYRTUMWQX-UHFFFAOYSA-N 1 0 347.231 4.367 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1Cl ZINC000446854928 1050753291 /nfs/dbraw/zinc/75/32/91/1050753291.db2.gz DOSWSVXAYJWWTG-MRXNPFEDSA-N 1 0 345.874 4.018 20 30 EIEDRO CN1Cc2ccccc2[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508615 1050797866 /nfs/dbraw/zinc/79/78/66/1050797866.db2.gz PGPWIOOSJWHAQR-FCHUYYIVSA-N 1 0 331.463 4.102 20 30 EIEDRO CCn1c2ccccc2c2cc(C[NH2+]Cc3ccc(C#N)cn3)ccc21 ZINC000780557374 1050817320 /nfs/dbraw/zinc/81/73/20/1050817320.db2.gz WNRORVHIPDHQHQ-UHFFFAOYSA-N 1 0 340.430 4.371 20 30 EIEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755604 1050882952 /nfs/dbraw/zinc/88/29/52/1050882952.db2.gz NBALZYHDPWHULI-ZDUSSCGKSA-N 1 0 343.814 4.231 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000619755716 1050883683 /nfs/dbraw/zinc/88/36/83/1050883683.db2.gz QDPIAKGMMKKYCX-DNVCBOLYSA-N 1 0 345.918 4.344 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000619755745 1050884970 /nfs/dbraw/zinc/88/49/70/1050884970.db2.gz RDEFYUSDCVHXCP-GOSISDBHSA-N 1 0 341.798 4.287 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000619754886 1050885176 /nfs/dbraw/zinc/88/51/76/1050885176.db2.gz NXJWHUAXHUJJLN-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619748428 1050894007 /nfs/dbraw/zinc/89/40/07/1050894007.db2.gz DWSNUQBIYVDICI-UHFFFAOYSA-N 1 0 339.826 4.184 20 30 EIEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc3c(c2)CCCC3)CC1 ZINC001180184375 1050897555 /nfs/dbraw/zinc/89/75/55/1050897555.db2.gz NXZRGSPNYMBZPK-UHFFFAOYSA-N 1 0 345.490 4.149 20 30 EIEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000619815702 1050918213 /nfs/dbraw/zinc/91/82/13/1050918213.db2.gz LPOPCVBHQMRWRN-CTXDPNEZSA-N 1 0 348.494 4.132 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3ccc(Cl)c(C#N)c3)cc2)CC1 ZINC001174403266 1050931863 /nfs/dbraw/zinc/93/18/63/1050931863.db2.gz IMKVERJFHLSDFB-UHFFFAOYSA-N 1 0 340.858 4.097 20 30 EIEDRO CC[C@H](C[NH+]1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC001180271118 1050940614 /nfs/dbraw/zinc/94/06/14/1050940614.db2.gz CUTRZYGHFQVYEW-QGZVFWFLSA-N 1 0 337.442 4.013 20 30 EIEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001180317477 1050950908 /nfs/dbraw/zinc/95/09/08/1050950908.db2.gz GNWGAHVFBDLCTH-HXUWFJFHSA-N 1 0 327.399 4.395 20 30 EIEDRO C=CC[N@@H+](Cc1ncc(Br)cc1O)CC1CCCCC1 ZINC001180292217 1050959649 /nfs/dbraw/zinc/95/96/49/1050959649.db2.gz KHZNJCOMORXUIA-UHFFFAOYSA-N 1 0 339.277 4.118 20 30 EIEDRO Cn1ncc2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cc21 ZINC000572571944 1051031957 /nfs/dbraw/zinc/03/19/57/1051031957.db2.gz FYPMSVUDEAUHNS-UHFFFAOYSA-N 1 0 344.462 4.067 20 30 EIEDRO N#Cc1csc(C[NH2+]CCc2c3ccccc3[nH]c2C(F)(F)F)c1 ZINC001203363503 1051052105 /nfs/dbraw/zinc/05/21/05/1051052105.db2.gz QXZZDMLPNMTKQO-UHFFFAOYSA-N 1 0 349.381 4.452 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620193527 1051057346 /nfs/dbraw/zinc/05/73/46/1051057346.db2.gz IXKXDGTWWIVYQY-UYAOXDASSA-N 1 0 340.511 4.007 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620195176 1051058257 /nfs/dbraw/zinc/05/82/57/1051058257.db2.gz AQLWKRSFMWSBEM-LJQANCHMSA-N 1 0 340.511 4.007 20 30 EIEDRO C=CCSCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC001180739579 1051069680 /nfs/dbraw/zinc/06/96/80/1051069680.db2.gz DVHFJGMLGDNQNY-NSHDSACASA-N 1 0 332.282 4.028 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000076153776 1051095103 /nfs/dbraw/zinc/09/51/03/1051095103.db2.gz VBRNIXVJRZXWTK-YADHBBJMSA-N 1 0 342.446 4.144 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)CCC)cc1OC ZINC000620434891 1051130433 /nfs/dbraw/zinc/13/04/33/1051130433.db2.gz KMPVVUZNNNHZMU-LBPRGKRZSA-N 1 0 342.277 4.301 20 30 EIEDRO CCCCCCC[C@@H](C)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001181120789 1051157873 /nfs/dbraw/zinc/15/78/73/1051157873.db2.gz KIBYEVJWFDDAQY-MRXNPFEDSA-N 1 0 349.494 4.302 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC12CCOCC2 ZINC001190347897 1051160895 /nfs/dbraw/zinc/16/08/95/1051160895.db2.gz GDDZBPKQHUUXPK-FQEVSTJZSA-N 1 0 326.484 4.367 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001174780782 1051173060 /nfs/dbraw/zinc/17/30/60/1051173060.db2.gz QVBPFJZFEANUCC-IYBDPMFKSA-N 1 0 333.859 4.227 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001181284753 1051195423 /nfs/dbraw/zinc/19/54/23/1051195423.db2.gz DOCPDQMUSIHCIU-KBAYOESNSA-N 1 0 336.520 4.404 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000775400943 1051224107 /nfs/dbraw/zinc/22/41/07/1051224107.db2.gz UOEOSJQQKAJHMX-INIZCTEOSA-N 1 0 347.245 4.286 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cc(=O)oc2cc(CC)ccc12)c1ccccc1 ZINC000775399873 1051230427 /nfs/dbraw/zinc/23/04/27/1051230427.db2.gz VOMKKUKIXCPEQJ-FQEVSTJZSA-N 1 0 331.415 4.210 20 30 EIEDRO C#C[C@@H]([NH2+]CC1(CCC)CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001181577427 1051256268 /nfs/dbraw/zinc/25/62/68/1051256268.db2.gz SYGBRAUEEVQXJE-QGZVFWFLSA-N 1 0 336.520 4.051 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC(F)CC1 ZINC001174934108 1051257912 /nfs/dbraw/zinc/25/79/12/1051257912.db2.gz PMDXNSCLVMWDJN-IUDNXUCKSA-N 1 0 343.364 4.443 20 30 EIEDRO CCCC[N@H+](CCOc1ccccc1C#N)Cc1ccccc1F ZINC001190752509 1051272825 /nfs/dbraw/zinc/27/28/25/1051272825.db2.gz KWUOXKLLQHLEGH-UHFFFAOYSA-N 1 0 326.415 4.378 20 30 EIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001190845597 1051289725 /nfs/dbraw/zinc/28/97/25/1051289725.db2.gz GFKPRHKVGPSMKW-OAQYLSRUSA-N 1 0 334.463 4.282 20 30 EIEDRO C=CCC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001181753963 1051295472 /nfs/dbraw/zinc/29/54/72/1051295472.db2.gz VFYWEDAETNJSEV-OAHLLOKOSA-N 1 0 345.443 4.038 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(OC(=O)C3CC3)c(OC)c2)CCCCC1 ZINC001181787390 1051307986 /nfs/dbraw/zinc/30/79/86/1051307986.db2.gz SAUAAAOPOPEWPR-UHFFFAOYSA-N 1 0 343.467 4.379 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000775424970 1051313128 /nfs/dbraw/zinc/31/31/28/1051313128.db2.gz VPVJDTDCDYXCOD-RTBURBONSA-N 1 0 344.817 4.051 20 30 EIEDRO Cc1cccc(C[C@@]2(C)CCC[N@@H+]2CCOc2cccc(C#N)c2)c1 ZINC001175036786 1051327049 /nfs/dbraw/zinc/32/70/49/1051327049.db2.gz YZFBXLDUSXUTDY-JOCHJYFZSA-N 1 0 334.463 4.343 20 30 EIEDRO COC(=O)c1cccc(C[N@@H+]2CCCCC[C@H]2CC(C)C)c1C#N ZINC001191113609 1051356174 /nfs/dbraw/zinc/35/61/74/1051356174.db2.gz ZJLPZSVBUXXEFZ-KRWDZBQOSA-N 1 0 328.456 4.136 20 30 EIEDRO CCCCCCCNC(=O)NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001191121656 1051357141 /nfs/dbraw/zinc/35/71/41/1051357141.db2.gz HHQHUXPWTUBZHT-GOSISDBHSA-N 1 0 335.536 4.077 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001181970541 1051372143 /nfs/dbraw/zinc/37/21/43/1051372143.db2.gz DLTLCCKLTOWDSP-OAHLLOKOSA-N 1 0 343.829 4.481 20 30 EIEDRO CCC1([NH+]2CCCC2)CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001175155655 1051385741 /nfs/dbraw/zinc/38/57/41/1051385741.db2.gz BWKJKKNYAXAXQC-UHFFFAOYSA-N 1 0 331.891 4.052 20 30 EIEDRO CC(C)C1CCC([NH+]2CCN(Cc3cccc(C#N)c3F)CC2)CC1 ZINC001191435529 1051457563 /nfs/dbraw/zinc/45/75/63/1051457563.db2.gz FPDCTZRKNDQRQW-UHFFFAOYSA-N 1 0 343.490 4.030 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000774139192 1051460502 /nfs/dbraw/zinc/46/05/02/1051460502.db2.gz OZJAVGYMRDIMBY-VGOFRKELSA-N 1 0 349.478 4.197 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)cc1 ZINC000774133780 1051477355 /nfs/dbraw/zinc/47/73/55/1051477355.db2.gz WRWCOYPJRJRDBG-AUUYWEPGSA-N 1 0 333.435 4.245 20 30 EIEDRO C[C@@H](C#N)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000183827807 1051480099 /nfs/dbraw/zinc/48/00/99/1051480099.db2.gz UHFROMOHAOBDKF-LBPRGKRZSA-N 1 0 345.786 4.290 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1 ZINC000775464556 1051490111 /nfs/dbraw/zinc/49/01/11/1051490111.db2.gz SVUHZJFNQDTPRT-WOJBJXKFSA-N 1 0 336.435 4.309 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C[C@H](O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000774230248 1051508539 /nfs/dbraw/zinc/50/85/39/1051508539.db2.gz HWRSLUTVBIHMDH-GKCIPKSASA-N 1 0 326.415 4.250 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC001191646764 1051508904 /nfs/dbraw/zinc/50/89/04/1051508904.db2.gz SVNRRMDEUNUMTM-QFIPXVFZSA-N 1 0 332.447 4.479 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000774240195 1051512616 /nfs/dbraw/zinc/51/26/16/1051512616.db2.gz IZIJNJCGBMZHMF-ROUUACIJSA-N 1 0 348.368 4.351 20 30 EIEDRO CC[C@H]([NH2+][C@@H](CC)[C@H](O)c1c(F)cccc1F)c1ccc(C#N)cc1 ZINC000774254909 1051527459 /nfs/dbraw/zinc/52/74/59/1051527459.db2.gz AJZKEMCBOJDTRJ-BJLQDIEVSA-N 1 0 344.405 4.389 20 30 EIEDRO CCCCCCCCCC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC001191790256 1051548296 /nfs/dbraw/zinc/54/82/96/1051548296.db2.gz UWCILRKAPTZRBG-UHFFFAOYSA-N 1 0 346.515 4.291 20 30 EIEDRO N#Cc1cc2c(ccn2-c2ccc(C[NH+]3CCCCC3)cc2)c(N)c1 ZINC001175364053 1051554107 /nfs/dbraw/zinc/55/41/07/1051554107.db2.gz VHSFHVOFBXJHHN-UHFFFAOYSA-N 1 0 330.435 4.070 20 30 EIEDRO C=CCC1([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC001175372666 1051557739 /nfs/dbraw/zinc/55/77/39/1051557739.db2.gz XPPKUBUZCYHRJQ-UHFFFAOYSA-N 1 0 345.443 4.100 20 30 EIEDRO N#Cc1cc(Cl)cc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC001192060609 1051629057 /nfs/dbraw/zinc/62/90/57/1051629057.db2.gz FNRGTIWHCGRPAE-UHFFFAOYSA-N 1 0 348.837 4.377 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC001192244307 1051664166 /nfs/dbraw/zinc/66/41/66/1051664166.db2.gz YNAADPJSIJBFIJ-HXUWFJFHSA-N 1 0 339.483 4.322 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(Cl)ccc1O ZINC000775519697 1051685065 /nfs/dbraw/zinc/68/50/65/1051685065.db2.gz QITMBVQITLSGEX-KRWDZBQOSA-N 1 0 330.815 4.189 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775523425 1051703818 /nfs/dbraw/zinc/70/38/18/1051703818.db2.gz KRBDCEVWDHXQHT-KRWDZBQOSA-N 1 0 329.827 4.299 20 30 EIEDRO CC#CCCCCCCCC(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001182771945 1051705646 /nfs/dbraw/zinc/70/56/46/1051705646.db2.gz MIGAWNHXKWAKQF-UHFFFAOYSA-N 1 0 332.532 4.251 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001182843860 1051713342 /nfs/dbraw/zinc/71/33/42/1051713342.db2.gz IXNSYLRKNGMDDA-WCVJEAGWSA-N 1 0 329.431 4.078 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001182843857 1051713797 /nfs/dbraw/zinc/71/37/97/1051713797.db2.gz IXNSYLRKNGMDDA-FPCVCCKLSA-N 1 0 329.431 4.078 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)cc1 ZINC001192470630 1051729298 /nfs/dbraw/zinc/72/92/98/1051729298.db2.gz DWTJHANTJDOIMK-JOCHJYFZSA-N 1 0 346.405 4.188 20 30 EIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](CCF)C2)cc1OC ZINC001182891730 1051734648 /nfs/dbraw/zinc/73/46/48/1051734648.db2.gz OGIFPRCIKNCSOD-CQSZACIVSA-N 1 0 341.854 4.485 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccc(-c2ccccc2)cc1)C1CCOCC1 ZINC001182990420 1051757817 /nfs/dbraw/zinc/75/78/17/1051757817.db2.gz QRNAZPCIHCUNIN-JPYJTQIMSA-N 1 0 333.475 4.303 20 30 EIEDRO N#CCc1cccc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)c1 ZINC001175798619 1051763038 /nfs/dbraw/zinc/76/30/38/1051763038.db2.gz NZFIUZXFVZRXLT-UHFFFAOYSA-N 1 0 335.451 4.361 20 30 EIEDRO N#CCc1ccc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC001175799751 1051766948 /nfs/dbraw/zinc/76/69/48/1051766948.db2.gz ODCYVBBEAWTQKU-UHFFFAOYSA-N 1 0 335.451 4.361 20 30 EIEDRO C=CC(C)(C)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001183046356 1051768585 /nfs/dbraw/zinc/76/85/85/1051768585.db2.gz WLQQAPAAGGURMX-UHFFFAOYSA-N 1 0 333.251 4.111 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000775542129 1051792195 /nfs/dbraw/zinc/79/21/95/1051792195.db2.gz ICQCGNUBHJMPKN-LJQANCHMSA-N 1 0 330.378 4.354 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2Cl)CC1 ZINC001203559712 1051792811 /nfs/dbraw/zinc/79/28/11/1051792811.db2.gz RETWUYALWXHYCS-WKILWMFISA-N 1 0 327.859 4.116 20 30 EIEDRO N#CC1CCC([NH2+]CCc2ccccc2OCc2ccccc2)CC1 ZINC001183216276 1051805578 /nfs/dbraw/zinc/80/55/78/1051805578.db2.gz FYYOPWSBDPRABD-UHFFFAOYSA-N 1 0 334.463 4.480 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(Cl)c(F)c2)cc1 ZINC001192831739 1051815494 /nfs/dbraw/zinc/81/54/94/1051815494.db2.gz DSZDXYHSEPPGLV-CYBMUJFWSA-N 1 0 344.817 4.140 20 30 EIEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001183257088 1051817717 /nfs/dbraw/zinc/81/77/17/1051817717.db2.gz VJGXHORCJDHZPA-GJZGRUSLSA-N 1 0 331.447 4.326 20 30 EIEDRO CC(C)[PH+](CCNC(=O)C1(c2ccccc2C#N)CC1)C(C)C ZINC001183297016 1051821668 /nfs/dbraw/zinc/82/16/68/1051821668.db2.gz UFSQPUKTJYADHB-UHFFFAOYSA-N 1 0 330.412 4.005 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC001192916225 1051831475 /nfs/dbraw/zinc/83/14/75/1051831475.db2.gz RGZNDRYFHFRBOU-SFHVURJKSA-N 1 0 337.552 4.395 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001192954124 1051836948 /nfs/dbraw/zinc/83/69/48/1051836948.db2.gz ZTPCLEKZPYCRCQ-BZSNNMDCSA-N 1 0 325.541 4.153 20 30 EIEDRO CC[C@@H](c1ccc(F)cc1)N1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC001175908839 1051839768 /nfs/dbraw/zinc/83/97/68/1051839768.db2.gz XHQFJTONHPJUDE-NGICGMGXSA-N 1 0 343.490 4.224 20 30 EIEDRO Cc1oc(NC(=O)C[NH+](CC(C)(C)C)CC(C)(C)C)c(C#N)c1C ZINC001192975979 1051848607 /nfs/dbraw/zinc/84/86/07/1051848607.db2.gz JOSUEMLZBYBTDS-UHFFFAOYSA-N 1 0 333.476 4.101 20 30 EIEDRO [NH3+]Cc1ccc(Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 ZINC001175971586 1051854613 /nfs/dbraw/zinc/85/46/13/1051854613.db2.gz VIUDHSWMDKQPBV-UHFFFAOYSA-N 1 0 338.226 4.464 20 30 EIEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC=C(C(C)(C)C)CC1 ZINC001193022877 1051855575 /nfs/dbraw/zinc/85/55/75/1051855575.db2.gz WYJPSWYEDZDYJM-CYBMUJFWSA-N 1 0 345.874 4.217 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+]CC(=O)Nc1cccc2cccnc21 ZINC001183582750 1051870233 /nfs/dbraw/zinc/87/02/33/1051870233.db2.gz PCYULTPLSAJFDB-INIZCTEOSA-N 1 0 325.456 4.288 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C)[C@@H]1CCCO1 ZINC000775573083 1051874984 /nfs/dbraw/zinc/87/49/84/1051874984.db2.gz FVWRVGIMAIZQJX-ZLIFDBKOSA-N 1 0 344.455 4.089 20 30 EIEDRO N#Cc1cccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1F ZINC000774660269 1051879681 /nfs/dbraw/zinc/87/96/81/1051879681.db2.gz RBKASYCLYHISDJ-MSOLQXFVSA-N 1 0 342.414 4.159 20 30 EIEDRO CSc1ccc(C[NH2+][C@H](C)[C@@H]2COc3ccccc3C2)cc1C#N ZINC001183798298 1051899612 /nfs/dbraw/zinc/89/96/12/1051899612.db2.gz BYUYBNIRIXSNDM-KDOFPFPSSA-N 1 0 338.476 4.010 20 30 EIEDRO CSc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)cc1C#N ZINC001183798989 1051900924 /nfs/dbraw/zinc/90/09/24/1051900924.db2.gz HVSMXTURJSLBFY-ZWKOTPCHSA-N 1 0 344.524 4.496 20 30 EIEDRO Cc1ccc(C[N@H+](CCCC(C)C)C[C@@H](O)CC2(C#N)CCC2)o1 ZINC001176135716 1051906699 /nfs/dbraw/zinc/90/66/99/1051906699.db2.gz CIUCDNFGERDCQT-SFHVURJKSA-N 1 0 332.488 4.271 20 30 EIEDRO C=CCC1(O)CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001183895364 1051916247 /nfs/dbraw/zinc/91/62/47/1051916247.db2.gz AUDLYYGMNSQBRW-UHFFFAOYSA-N 1 0 333.781 4.262 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCc3cccc4cccc2c43)cc1 ZINC001176334813 1051994532 /nfs/dbraw/zinc/99/45/32/1051994532.db2.gz LASLWIQTZCINKF-LEWJYISDSA-N 1 0 328.415 4.022 20 30 EIEDRO CCCCCCCOC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001194012144 1052048942 /nfs/dbraw/zinc/04/89/42/1052048942.db2.gz BXZPKFXAHFLLGF-IBGZPJMESA-N 1 0 332.488 4.205 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(NCc2ccccc2C[NH+]2CCCC2)n1 ZINC001184665777 1052076497 /nfs/dbraw/zinc/07/64/97/1052076497.db2.gz AFNKXRRPOYTTGC-UHFFFAOYSA-N 1 0 348.494 4.459 20 30 EIEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001194504884 1052162372 /nfs/dbraw/zinc/16/23/72/1052162372.db2.gz GNMWLIIOHVESTC-HXUWFJFHSA-N 1 0 329.390 4.435 20 30 EIEDRO N#CCc1ccc(NC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000184746624 1052178370 /nfs/dbraw/zinc/17/83/70/1052178370.db2.gz DKGPTPFRRDUTAW-UHFFFAOYSA-N 1 0 339.870 4.483 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(C)c(C)c2)cc1 ZINC000774831608 1052181161 /nfs/dbraw/zinc/18/11/61/1052181161.db2.gz LXBUISBFOHZNAC-LJQANCHMSA-N 1 0 349.478 4.209 20 30 EIEDRO C=CCCC[N@@H+](CC)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001176797557 1052190572 /nfs/dbraw/zinc/19/05/72/1052190572.db2.gz AENLVVNNYIZHQY-DOTOQJQBSA-N 1 0 327.390 4.457 20 30 EIEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC001176767310 1052193067 /nfs/dbraw/zinc/19/30/67/1052193067.db2.gz FIOYKQQOLQFOFR-QZTJIDSGSA-N 1 0 334.891 4.338 20 30 EIEDRO Cc1c(Cl)cccc1N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC001176842846 1052198314 /nfs/dbraw/zinc/19/83/14/1052198314.db2.gz YUGRRYFGCFNBNO-UHFFFAOYSA-N 1 0 333.907 4.491 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](C4CCCC4)C3)o2)c1 ZINC001176939502 1052206807 /nfs/dbraw/zinc/20/68/07/1052206807.db2.gz KCGKRHNAOBDSLX-GOSISDBHSA-N 1 0 336.439 4.010 20 30 EIEDRO C#Cc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCC(C)CC2)cc1 ZINC001177117172 1052225292 /nfs/dbraw/zinc/22/52/92/1052225292.db2.gz KIDXFANKCKEZOI-HXUWFJFHSA-N 1 0 338.520 4.292 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC001177103869 1052230906 /nfs/dbraw/zinc/23/09/06/1052230906.db2.gz CCHYUWXZVUHIQW-QFIPXVFZSA-N 1 0 347.506 4.414 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)ccc1C#N ZINC000774914771 1052284853 /nfs/dbraw/zinc/28/48/53/1052284853.db2.gz RHVSBPFBHRZENJ-ZWKOTPCHSA-N 1 0 326.465 4.016 20 30 EIEDRO N#CC(CC[N@H+]1CCCC[C@H]1CCO)(c1ccccc1)c1ccccc1 ZINC000176296712 1052615963 /nfs/dbraw/zinc/61/59/63/1052615963.db2.gz QNAMFODVSFLQIU-QFIPXVFZSA-N 1 0 348.490 4.123 20 30 EIEDRO C[C@@H]([C@H](C)[NH2+]CCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000185512667 1052620954 /nfs/dbraw/zinc/62/09/54/1052620954.db2.gz HXQGMFQJBIIUHJ-KBPBESRZSA-N 1 0 333.501 4.143 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)c2ccncc2)cc1OC ZINC000623440595 1052656852 /nfs/dbraw/zinc/65/68/52/1052656852.db2.gz BYDCXVADFBXTBQ-CQSZACIVSA-N 1 0 346.858 4.202 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCc2ccccn2)cc1OC ZINC000623467485 1052661312 /nfs/dbraw/zinc/66/13/12/1052661312.db2.gz LWCDXCSKPMGOAT-UHFFFAOYSA-N 1 0 346.858 4.031 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccccc2OC(C)C)c1 ZINC000073012516 1052672539 /nfs/dbraw/zinc/67/25/39/1052672539.db2.gz HMBLBYALZRILQZ-LJQANCHMSA-N 1 0 338.451 4.445 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2)c1 ZINC000073012564 1052673035 /nfs/dbraw/zinc/67/30/35/1052673035.db2.gz PGXHVRTYBFSGPX-LJQANCHMSA-N 1 0 346.434 4.047 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1OC ZINC000623539273 1052675953 /nfs/dbraw/zinc/67/59/53/1052675953.db2.gz IBOHWOXPZCKWIR-ZDUSSCGKSA-N 1 0 345.817 4.438 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@]2(C)CC2(F)F)cc1OC ZINC000623570300 1052682795 /nfs/dbraw/zinc/68/27/95/1052682795.db2.gz OGSIGMFZNKHXPP-HNNXBMFYSA-N 1 0 331.790 4.048 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N[C@H](C)c1cccs1)c1ccccc1 ZINC000180047590 1052776462 /nfs/dbraw/zinc/77/64/62/1052776462.db2.gz MBUIEJSIDPDNHV-NVXWUHKLSA-N 1 0 328.481 4.222 20 30 EIEDRO N#CCSCCC[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000180327812 1052794477 /nfs/dbraw/zinc/79/44/77/1052794477.db2.gz NNWIGCNXLXXQLZ-GOSISDBHSA-N 1 0 344.455 4.182 20 30 EIEDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623878679 1052828306 /nfs/dbraw/zinc/82/83/06/1052828306.db2.gz NMRWAQRMJPPTNE-BDAKNGLRSA-N 1 0 347.274 4.463 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623915272 1052836566 /nfs/dbraw/zinc/83/65/66/1052836566.db2.gz AWXUXIJQZIFCST-CVEARBPZSA-N 1 0 344.480 4.103 20 30 EIEDRO N#CCSCCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181594785 1052889354 /nfs/dbraw/zinc/88/93/54/1052889354.db2.gz LOAXSUQHJXZQBI-LJQANCHMSA-N 1 0 346.446 4.485 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000182183158 1052918536 /nfs/dbraw/zinc/91/85/36/1052918536.db2.gz HPBODEIGQZKJMD-SJORKVTESA-N 1 0 327.472 4.395 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000182332711 1052927269 /nfs/dbraw/zinc/92/72/69/1052927269.db2.gz UBDVLCPRSWPHJP-IBGZPJMESA-N 1 0 349.478 4.209 20 30 EIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)c1 ZINC000182554966 1052940596 /nfs/dbraw/zinc/94/05/96/1052940596.db2.gz SWEYXVWFYKOYRT-CQSZACIVSA-N 1 0 326.827 4.001 20 30 EIEDRO C=CCC[C@@H](Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C1CC1 ZINC000183076452 1052962544 /nfs/dbraw/zinc/96/25/44/1052962544.db2.gz JFYKJVSSFGYAMR-OAQYLSRUSA-N 1 0 328.500 4.048 20 30 EIEDRO Cc1cnc([C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C2CC2)s1 ZINC000185371159 1053017296 /nfs/dbraw/zinc/01/72/96/1053017296.db2.gz ONZPJBOALUKTKM-QGZVFWFLSA-N 1 0 325.481 4.494 20 30 EIEDRO C=CCc1cc(OC)cc(C[NH2+]C2(c3nc(C)cs3)CCC2)c1O ZINC000764113305 1053030889 /nfs/dbraw/zinc/03/08/89/1053030889.db2.gz MNOQETOMBKKAKD-UHFFFAOYSA-N 1 0 344.480 4.063 20 30 EIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001194683526 1053071106 /nfs/dbraw/zinc/07/11/06/1053071106.db2.gz ORUQLODIQNHJDQ-CLCXKQKWSA-N 1 0 335.407 4.233 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(OCC#N)cc1 ZINC000850120959 1053075795 /nfs/dbraw/zinc/07/57/95/1053075795.db2.gz LKOYRJHRWJYEGM-CQSZACIVSA-N 1 0 340.398 4.120 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1ccc(OCC#N)cc1 ZINC000850120958 1053076937 /nfs/dbraw/zinc/07/69/37/1053076937.db2.gz LKOYRJHRWJYEGM-AWEZNQCLSA-N 1 0 340.398 4.120 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc3c(cccc3C)[nH]2)c1 ZINC000850137191 1053077959 /nfs/dbraw/zinc/07/79/59/1053077959.db2.gz LTTCICOOHVGRMO-GOSISDBHSA-N 1 0 333.435 4.447 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc3ccncc3s2)c1 ZINC000850137813 1053078463 /nfs/dbraw/zinc/07/84/63/1053078463.db2.gz XACHFBIFNFQBNV-MRXNPFEDSA-N 1 0 337.448 4.267 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)Nc1ccc([NH+]2CCCCCC2)cc1 ZINC000863850821 1053084679 /nfs/dbraw/zinc/08/46/79/1053084679.db2.gz IWXRYLCPFNTSJN-GOSISDBHSA-N 1 0 343.515 4.292 20 30 EIEDRO C=CCC[C@H](O)C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001194723989 1053087862 /nfs/dbraw/zinc/08/78/62/1053087862.db2.gz PJEMMYBQDLYXFS-INIZCTEOSA-N 1 0 343.389 4.092 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000850280870 1053104322 /nfs/dbraw/zinc/10/43/22/1053104322.db2.gz KOZRSFQQOVKJEU-SFTDATJTSA-N 1 0 334.463 4.090 20 30 EIEDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000850343433 1053124279 /nfs/dbraw/zinc/12/42/79/1053124279.db2.gz SWQPWYRILFEHIW-DNVCBOLYSA-N 1 0 326.415 4.227 20 30 EIEDRO CCOCc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)ccc1OC ZINC000850357141 1053129174 /nfs/dbraw/zinc/12/91/74/1053129174.db2.gz ZBNGHEGCMZLGBQ-UHFFFAOYSA-N 1 0 338.451 4.128 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](O)c3cccc4ccccc43)cc2)CC1 ZINC000850360715 1053132609 /nfs/dbraw/zinc/13/26/09/1053132609.db2.gz NUGMGSOLHOOALU-JOCHJYFZSA-N 1 0 342.442 4.218 20 30 EIEDRO CN(C)c1ccc(C#N)cc1CNc1cccc(C[NH+]2CCCCC2)c1 ZINC000864019846 1053148251 /nfs/dbraw/zinc/14/82/51/1053148251.db2.gz REWKEDIVTDATLH-UHFFFAOYSA-N 1 0 348.494 4.222 20 30 EIEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CCC1 ZINC001194983955 1053214239 /nfs/dbraw/zinc/21/42/39/1053214239.db2.gz NVIDRANNLREDNE-WOJBJXKFSA-N 1 0 338.495 4.439 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000850468361 1053245557 /nfs/dbraw/zinc/24/55/57/1053245557.db2.gz ZJFXVUSGURGVER-CYBMUJFWSA-N 1 0 326.827 4.387 20 30 EIEDRO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000850484831 1053257698 /nfs/dbraw/zinc/25/76/98/1053257698.db2.gz RCMNLVMPLVMUAS-DNVCBOLYSA-N 1 0 326.415 4.400 20 30 EIEDRO Cc1cc(F)ccc1C[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000850493496 1053260344 /nfs/dbraw/zinc/26/03/44/1053260344.db2.gz JHEBWGZLTSLHQC-JKSUJKDBSA-N 1 0 326.415 4.318 20 30 EIEDRO CCC[N@H+](C)[C@H](C/N=C\c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000794679813 1053262102 /nfs/dbraw/zinc/26/21/02/1053262102.db2.gz JFFBEIOZFNOLFI-CTPANLQCSA-N 1 0 346.858 4.253 20 30 EIEDRO C#CC[N@@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1CC1 ZINC000764676240 1053265014 /nfs/dbraw/zinc/26/50/14/1053265014.db2.gz HJVCOKXLQMSDRD-UHFFFAOYSA-N 1 0 338.838 4.190 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC001195094587 1053272403 /nfs/dbraw/zinc/27/24/03/1053272403.db2.gz STIYKXWLHVOEHY-KRWDZBQOSA-N 1 0 339.426 4.276 20 30 EIEDRO C=CCCC[N@@H+]1C[C@@H](c2ccccc2F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001195111963 1053274089 /nfs/dbraw/zinc/27/40/89/1053274089.db2.gz GAKZFDUNDVZDQB-FUHWJXTLSA-N 1 0 348.462 4.084 20 30 EIEDRO C=CCCOc1ccc(C(=O)N(CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001195141087 1053293339 /nfs/dbraw/zinc/29/33/39/1053293339.db2.gz OJLAHDQKYJFBBW-WGSAOQKQSA-N 1 0 344.499 4.010 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000850542697 1053304567 /nfs/dbraw/zinc/30/45/67/1053304567.db2.gz UGNQEZZLYAKHEW-COPCDDAFSA-N 1 0 331.463 4.332 20 30 EIEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000850551778 1053306733 /nfs/dbraw/zinc/30/67/33/1053306733.db2.gz VIEAICGDVWVIPA-INIZCTEOSA-N 1 0 349.519 4.086 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC(C)(C)C[C@@H]2C)ccc1Cl ZINC001195196824 1053322573 /nfs/dbraw/zinc/32/25/73/1053322573.db2.gz YFJACBGGECOSTJ-HNNXBMFYSA-N 1 0 347.890 4.016 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2nc(C)cs2)cc1 ZINC000764878433 1053353627 /nfs/dbraw/zinc/35/36/27/1053353627.db2.gz BTGGJZDMTJQBAS-CQSZACIVSA-N 1 0 336.888 4.476 20 30 EIEDRO C[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)[C@@H]1C(=O)OC(C)(C)C ZINC001195349815 1053381075 /nfs/dbraw/zinc/38/10/75/1053381075.db2.gz DPNRCIWNBHBBEL-IRXDYDNUSA-N 1 0 334.504 4.293 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000765008477 1053419134 /nfs/dbraw/zinc/41/91/34/1053419134.db2.gz DAUNMGBLQHSNAV-AWEZNQCLSA-N 1 0 341.842 4.027 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C[C@H]3CCC[C@@H](C(F)(F)F)O3)CCC2)cc1 ZINC001195557602 1053427364 /nfs/dbraw/zinc/42/73/64/1053427364.db2.gz HYRYKEXNDGOFIH-CVEARBPZSA-N 1 0 338.373 4.027 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000851205755 1053437338 /nfs/dbraw/zinc/43/73/38/1053437338.db2.gz JPWOYICWHVOXCT-INIZCTEOSA-N 1 0 328.456 4.158 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000765281816 1053489822 /nfs/dbraw/zinc/48/98/22/1053489822.db2.gz SSOFKWZVTCFTIR-SFHVURJKSA-N 1 0 339.410 4.230 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000794836960 1053505776 /nfs/dbraw/zinc/50/57/76/1053505776.db2.gz QPOWBJKEIVUITI-GOSISDBHSA-N 1 0 334.504 4.278 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(N(C)C)cc1 ZINC000765360471 1053516679 /nfs/dbraw/zinc/51/66/79/1053516679.db2.gz UWPGBDWXSDAFAS-INIZCTEOSA-N 1 0 339.508 4.208 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000765402898 1053533785 /nfs/dbraw/zinc/53/37/85/1053533785.db2.gz YFAAYYWIYHIXTJ-AWEZNQCLSA-N 1 0 344.252 4.312 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2sc(C)c(C)c2c(N)n1 ZINC001196056210 1053563564 /nfs/dbraw/zinc/56/35/64/1053563564.db2.gz KUDGSCPPGUUJRO-KBPBESRZSA-N 1 0 330.501 4.115 20 30 EIEDRO C=CC[N@@H+](CC/C=C\c1ccc(Br)cc1)[C@H](C)COC ZINC001196047816 1053571542 /nfs/dbraw/zinc/57/15/42/1053571542.db2.gz FLUCNTOUEMOIRO-ZQMJAJRESA-N 1 0 338.289 4.375 20 30 EIEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000852442960 1053580330 /nfs/dbraw/zinc/58/03/30/1053580330.db2.gz IVQPMHSZBKCGLI-FGTMMUONSA-N 1 0 338.451 4.406 20 30 EIEDRO C#CCCCCCC[N@@H+]1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC001196132711 1053586627 /nfs/dbraw/zinc/58/66/27/1053586627.db2.gz LQSOKXRTDSQIHY-QFIPXVFZSA-N 1 0 326.528 4.413 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CC=CC[C@H]3C(F)(F)F)cc2)CC1 ZINC000865781485 1053591297 /nfs/dbraw/zinc/59/12/97/1053591297.db2.gz NNHULQYGXDNQHP-DOTOQJQBSA-N 1 0 334.385 4.476 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cnc3ccccc3c2)c1 ZINC000338949331 1053597908 /nfs/dbraw/zinc/59/79/08/1053597908.db2.gz CARRHASQBDGRBN-UHFFFAOYSA-N 1 0 331.419 4.207 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cc2cnccc2o1 ZINC000865852145 1053610646 /nfs/dbraw/zinc/61/06/46/1053610646.db2.gz NSWHLTFIYPGXOF-OAHLLOKOSA-N 1 0 334.423 4.028 20 30 EIEDRO Clc1ccc(CSc2nncn2[NH+]=C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000853281024 1053662246 /nfs/dbraw/zinc/66/22/46/1053662246.db2.gz USBDJTHKDRVKHR-KFWWJZLASA-N 1 0 346.887 4.494 20 30 EIEDRO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000853604277 1053688405 /nfs/dbraw/zinc/68/84/05/1053688405.db2.gz APCLPLOBQGDDPU-HXUWFJFHSA-N 1 0 349.482 4.127 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1ccccc1CC(=O)OC)c1ccc(F)c(F)c1 ZINC000775723411 1053688691 /nfs/dbraw/zinc/68/86/91/1053688691.db2.gz KTWCXRMVFNCDAR-FQEVSTJZSA-N 1 0 345.389 4.087 20 30 EIEDRO N#Cc1ccc(CC[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC001196499405 1053694311 /nfs/dbraw/zinc/69/43/11/1053694311.db2.gz ZCVOJTVEVMRVNO-UHFFFAOYSA-N 1 0 330.431 4.041 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000866449658 1053732843 /nfs/dbraw/zinc/73/28/43/1053732843.db2.gz YXRSNPQVPMXZLN-APWZRJJASA-N 1 0 329.463 4.035 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCSCCC(F)(F)F ZINC000866542485 1053778389 /nfs/dbraw/zinc/77/83/89/1053778389.db2.gz FEHPWGMUCUUMRF-OAHLLOKOSA-N 1 0 328.403 4.211 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)ccc1OC(C)C ZINC000776725425 1053794084 /nfs/dbraw/zinc/79/40/84/1053794084.db2.gz AMCRLNFTQSFCSV-AWEZNQCLSA-N 1 0 342.414 4.344 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2noc3cc(F)ccc32)CC1 ZINC000866611160 1053804630 /nfs/dbraw/zinc/80/46/30/1053804630.db2.gz RDMMAXSTUHOPQB-UHFFFAOYSA-N 1 0 349.409 4.461 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001197040903 1053823807 /nfs/dbraw/zinc/82/38/07/1053823807.db2.gz AAQXUJGVMIIWEE-SFHVURJKSA-N 1 0 338.426 4.474 20 30 EIEDRO CCCCCCC[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000776747525 1053824134 /nfs/dbraw/zinc/82/41/34/1053824134.db2.gz ZAPDOMVRTMKXQP-OAHLLOKOSA-N 1 0 326.506 4.069 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC001197032000 1053828030 /nfs/dbraw/zinc/82/80/30/1053828030.db2.gz NQHBGLMMDQFUBM-HNNXBMFYSA-N 1 0 340.854 4.343 20 30 EIEDRO N#CC1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000173267578 1053844465 /nfs/dbraw/zinc/84/44/65/1053844465.db2.gz XEHWWUFKELMTGS-UHFFFAOYSA-N 1 0 349.434 4.043 20 30 EIEDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552275029 1053847594 /nfs/dbraw/zinc/84/75/94/1053847594.db2.gz IUOSMWSNGSRNHJ-SBUREZEXSA-N 1 0 345.490 4.440 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c(F)c1 ZINC000121864032 1053853406 /nfs/dbraw/zinc/85/34/06/1053853406.db2.gz QVPDUFUYSXRWIX-IEBWSBKVSA-N 1 0 342.414 4.159 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OC)c(OCCCCC)c1 ZINC001202493481 1053898449 /nfs/dbraw/zinc/89/84/49/1053898449.db2.gz DQQIPZNNIMHIAA-MSOLQXFVSA-N 1 0 333.472 4.087 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccccc2F)ccc1OC ZINC000113308881 1053917741 /nfs/dbraw/zinc/91/77/41/1053917741.db2.gz VJVCYNFYGDSTNA-GOEBONIOSA-N 1 0 342.414 4.366 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC ZINC000113348026 1053924536 /nfs/dbraw/zinc/92/45/36/1053924536.db2.gz XNIDGRHHSXVIAJ-QGZVFWFLSA-N 1 0 342.414 4.114 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(F)c(C)c2)ccc1OC ZINC000113348229 1053926997 /nfs/dbraw/zinc/92/69/97/1053926997.db2.gz KLNHIBANULPQCB-KRWDZBQOSA-N 1 0 342.414 4.114 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000776814372 1053932579 /nfs/dbraw/zinc/93/25/79/1053932579.db2.gz CTYBPEQGWJYGSK-CQSZACIVSA-N 1 0 337.448 4.288 20 30 EIEDRO CC#CC[N@@H+]1CCC[C@@H](C[C@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001197587688 1053949047 /nfs/dbraw/zinc/94/90/47/1053949047.db2.gz DDQXAZYESCCPLU-HKUYNNGSSA-N 1 0 348.531 4.195 20 30 EIEDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001197630836 1053968197 /nfs/dbraw/zinc/96/81/97/1053968197.db2.gz UBQMHYNWAQKNQS-INIZCTEOSA-N 1 0 336.863 4.022 20 30 EIEDRO C#CC[N@@H+](C[C@@H](Cc1ccccc1)OC)[C@@H]1CCCc2ccccc21 ZINC001198104763 1054078901 /nfs/dbraw/zinc/07/89/01/1054078901.db2.gz RPVCRJTYGZYTEC-FYYLOGMGSA-N 1 0 333.475 4.257 20 30 EIEDRO CC1(C)CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC001198202827 1054095451 /nfs/dbraw/zinc/09/54/51/1054095451.db2.gz ROPZTJHMDLHNSS-LEWJYISDSA-N 1 0 334.463 4.107 20 30 EIEDRO Cc1cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc(Cl)n1 ZINC001198211017 1054098027 /nfs/dbraw/zinc/09/80/27/1054098027.db2.gz OMKCIVDBJZKHMM-UHFFFAOYSA-N 1 0 325.843 4.295 20 30 EIEDRO CC(C)(C)[C@]1(C=NOC2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000857211111 1054200323 /nfs/dbraw/zinc/20/03/23/1054200323.db2.gz ASWROQQOFOQVSZ-NRFANRHFSA-N 1 0 344.499 4.106 20 30 EIEDRO C=CCC[C@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000871359404 1054205095 /nfs/dbraw/zinc/20/50/95/1054205095.db2.gz FWYLZTPLFPZXHC-SCCNAQOGSA-N 1 0 328.500 4.116 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1O ZINC000775913041 1054281560 /nfs/dbraw/zinc/28/15/60/1054281560.db2.gz GSEQZVCKNAVHTK-GFCCVEGCSA-N 1 0 345.240 4.186 20 30 EIEDRO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872033156 1054350143 /nfs/dbraw/zinc/35/01/43/1054350143.db2.gz FYPWZNHFVKBZLB-CQSZACIVSA-N 1 0 349.500 4.008 20 30 EIEDRO CC[C@H](CCC(F)(F)F)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000872091494 1054385235 /nfs/dbraw/zinc/38/52/35/1054385235.db2.gz IJBPLPXRFJXZQO-OAHLLOKOSA-N 1 0 339.405 4.238 20 30 EIEDRO C=C(CC)C(=O)N(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001137057055 1054387191 /nfs/dbraw/zinc/38/71/91/1054387191.db2.gz PBUXKDZPXDBHIK-UHFFFAOYSA-N 1 0 336.479 4.113 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279635 1054433741 /nfs/dbraw/zinc/43/37/41/1054433741.db2.gz GFWAGFVQWURUNS-LJQANCHMSA-N 1 0 326.484 4.411 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000858321203 1054464913 /nfs/dbraw/zinc/46/49/13/1054464913.db2.gz VQLUPEVFPAPYRJ-FQEVSTJZSA-N 1 0 339.870 4.467 20 30 EIEDRO Cc1cc(Br)cc(C)c1C[NH2+]Cc1csc(C#N)c1 ZINC001199895908 1054484584 /nfs/dbraw/zinc/48/45/84/1054484584.db2.gz FFZKIYSJSHWCGQ-UHFFFAOYSA-N 1 0 335.270 4.289 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000858425317 1054487442 /nfs/dbraw/zinc/48/74/42/1054487442.db2.gz FUYPQXNBRGESIQ-IRXDYDNUSA-N 1 0 349.519 4.084 20 30 EIEDRO CC(=O)N(C)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000858498291 1054502896 /nfs/dbraw/zinc/50/28/96/1054502896.db2.gz NRYYFKJOICMCHF-QFIPXVFZSA-N 1 0 347.462 4.098 20 30 EIEDRO Cc1ccc(-c2nc(CC[NH2+]Cc3c(C)cc(C#N)cc3C)co2)cc1 ZINC001199952940 1054503433 /nfs/dbraw/zinc/50/34/33/1054503433.db2.gz XRRHSDNVCJYPRS-UHFFFAOYSA-N 1 0 345.446 4.471 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000124604289 1054586533 /nfs/dbraw/zinc/58/65/33/1054586533.db2.gz MOQCFZZPNAFKJF-HSZRJFAPSA-N 1 0 349.474 4.034 20 30 EIEDRO CCCCCC[C@@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000776153690 1054749867 /nfs/dbraw/zinc/74/98/67/1054749867.db2.gz DLPVNBPLTHJLFE-GOSISDBHSA-N 1 0 327.516 4.471 20 30 EIEDRO CC(C)[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCCCC1 ZINC000776153252 1054751908 /nfs/dbraw/zinc/75/19/08/1054751908.db2.gz AOYKRNJRINWSOQ-RXVVDRJESA-N 1 0 343.515 4.140 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(N2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000776159934 1054768620 /nfs/dbraw/zinc/76/86/20/1054768620.db2.gz XIDJEFUCOAUVGR-GOSISDBHSA-N 1 0 333.479 4.442 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C1CCCC1 ZINC000108359504 1054775106 /nfs/dbraw/zinc/77/51/06/1054775106.db2.gz BBSQXOWGERZCHV-OAHLLOKOSA-N 1 0 345.512 4.141 20 30 EIEDRO N#CCOc1ccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000776174011 1054804076 /nfs/dbraw/zinc/80/40/76/1054804076.db2.gz WTPKABUUBAFGFR-UHFFFAOYSA-N 1 0 336.435 4.111 20 30 EIEDRO CC[C@@H](C)C[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001201511505 1054826263 /nfs/dbraw/zinc/82/62/63/1054826263.db2.gz MQFOOMSXZSAXJN-CQSZACIVSA-N 1 0 335.289 4.352 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1Cl ZINC001201473687 1054826721 /nfs/dbraw/zinc/82/67/21/1054826721.db2.gz WGLCSTHKCDNDDO-ATZDWAIDSA-N 1 0 347.886 4.342 20 30 EIEDRO COc1cccc(C#N)c1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201477340 1054828668 /nfs/dbraw/zinc/82/86/68/1054828668.db2.gz FLPZEOLYUGJUGM-UXHICEINSA-N 1 0 345.446 4.300 20 30 EIEDRO N#Cc1c(F)cccc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201474875 1054828963 /nfs/dbraw/zinc/82/89/63/1054828963.db2.gz NDFDMZGPNXCGTC-MSOLQXFVSA-N 1 0 333.410 4.430 20 30 EIEDRO Cc1cc(C)c(CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(C)c1 ZINC001201600302 1054862476 /nfs/dbraw/zinc/86/24/76/1054862476.db2.gz JRVYMLWHNFYOGD-UHFFFAOYSA-N 1 0 335.495 4.294 20 30 EIEDRO CCCCCCCC[N@H+]1Cc2nn(CC3CC3)cc2[C@@H](COC)C1 ZINC001201813948 1054910792 /nfs/dbraw/zinc/91/07/92/1054910792.db2.gz LMPZKGWHFAQICF-GOSISDBHSA-N 1 0 333.520 4.199 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001201776578 1054914562 /nfs/dbraw/zinc/91/45/62/1054914562.db2.gz FTUFAAKPWCLYPN-PWRODBHTSA-N 1 0 346.515 4.191 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC001201777290 1054918936 /nfs/dbraw/zinc/91/89/36/1054918936.db2.gz VHACDQJKPIFFNQ-UYAOXDASSA-N 1 0 332.488 4.054 20 30 EIEDRO CCCCCCCC[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001201825949 1054925768 /nfs/dbraw/zinc/92/57/68/1054925768.db2.gz IWJAZYRYEPGKSZ-MSOLQXFVSA-N 1 0 332.488 4.177 20 30 EIEDRO CCCCCCCCC[NH+]1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC001201840021 1054931063 /nfs/dbraw/zinc/93/10/63/1054931063.db2.gz RRNFKFWLQZCPQN-PMACEKPBSA-N 1 0 329.532 4.196 20 30 EIEDRO CCCCCCCC[NH+]1CCC(c2nc(C(=O)OCC)co2)CC1 ZINC001201839832 1054932196 /nfs/dbraw/zinc/93/21/96/1054932196.db2.gz KUVHTOMIEVRZPK-UHFFFAOYSA-N 1 0 336.476 4.391 20 30 EIEDRO CCCCCCCCC[N@@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001201847279 1054933162 /nfs/dbraw/zinc/93/31/62/1054933162.db2.gz ULRNYIWXBCLSFC-UHFFFAOYSA-N 1 0 343.519 4.084 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000876593271 1054934201 /nfs/dbraw/zinc/93/42/01/1054934201.db2.gz YSBUHWUMZKZLAO-ZIAGYGMSSA-N 1 0 347.673 4.127 20 30 EIEDRO CC[N@@H+](c1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1)C(C)C ZINC000876820779 1054963378 /nfs/dbraw/zinc/96/33/78/1054963378.db2.gz UYLMDKIRAIHNEA-KRWDZBQOSA-N 1 0 329.488 4.432 20 30 EIEDRO N#CC1CCC(Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000876837912 1054970886 /nfs/dbraw/zinc/97/08/86/1054970886.db2.gz LOWKLPORNLHJIC-UHFFFAOYSA-N 1 0 327.472 4.046 20 30 EIEDRO CS[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC001201970771 1054971347 /nfs/dbraw/zinc/97/13/47/1054971347.db2.gz KBTKIXTURZRMGL-CQSZACIVSA-N 1 0 341.318 4.188 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2OC2CCC2)cc1 ZINC000118454799 1054979130 /nfs/dbraw/zinc/97/91/30/1054979130.db2.gz IRUVGYHLGZCVJV-INIZCTEOSA-N 1 0 336.435 4.199 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)C(C)C)cc1 ZINC000876901217 1054981802 /nfs/dbraw/zinc/98/18/02/1054981802.db2.gz BKDUAWZSSHJENG-KRWDZBQOSA-N 1 0 329.831 4.102 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc1 ZINC001137115493 1055008796 /nfs/dbraw/zinc/00/87/96/1055008796.db2.gz QYNZVPSWQWPVKY-UHFFFAOYSA-N 1 0 330.431 4.150 20 30 EIEDRO N#CCOc1cccc(N[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877169180 1055031712 /nfs/dbraw/zinc/03/17/12/1055031712.db2.gz JALPTEHFFWMVIN-UGKGYDQZSA-N 1 0 347.462 4.369 20 30 EIEDRO Cc1cc(CN2CCC[C@H](CC#N)C2)c(Br)cc1F ZINC000862408083 1055061817 /nfs/dbraw/zinc/06/18/17/1055061817.db2.gz UAVDKBBDOVOYRR-GFCCVEGCSA-N 1 0 325.225 4.022 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000877491505 1055063343 /nfs/dbraw/zinc/06/33/43/1055063343.db2.gz KWXWSZLSIRUCOU-RHSMWYFYSA-N 1 0 329.806 4.172 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)CC[P@](C)(=O)OCC)c1ccc(Cl)cc1F ZINC000877516811 1055069140 /nfs/dbraw/zinc/06/91/40/1055069140.db2.gz ITELCHREDSNHEZ-CKRFGLGXSA-N 1 0 345.782 4.466 20 30 EIEDRO C[N@H+](Cc1ccc2cc[nH]c2c1)Cc1cccc(OCCCC#N)c1 ZINC000877769726 1055120471 /nfs/dbraw/zinc/12/04/71/1055120471.db2.gz MSBVWEGJBGHYQX-UHFFFAOYSA-N 1 0 333.435 4.482 20 30 EIEDRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000877812387 1055125801 /nfs/dbraw/zinc/12/58/01/1055125801.db2.gz OMWMGIJPYLFDES-MRXNPFEDSA-N 1 0 326.362 4.143 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000877892786 1055145437 /nfs/dbraw/zinc/14/54/37/1055145437.db2.gz DUVQHMBRZRWGGZ-IIBYNOLFSA-N 1 0 338.426 4.259 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000877898968 1055148077 /nfs/dbraw/zinc/14/80/77/1055148077.db2.gz WYPLAMINJVFIPX-FCHUYYIVSA-N 1 0 332.447 4.264 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](c2ccccc2C)C1)c1ccccc1 ZINC000878031158 1055178640 /nfs/dbraw/zinc/17/86/40/1055178640.db2.gz RIOFINUVPHUBST-REWPJTCUSA-N 1 0 346.474 4.225 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)C[C@H](C)c1ccccc1)c1ccccc1 ZINC000878044465 1055178815 /nfs/dbraw/zinc/17/88/15/1055178815.db2.gz PFISORDNKOJTSL-AVRDEDQJSA-N 1 0 334.463 4.163 20 30 EIEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878132360 1055191582 /nfs/dbraw/zinc/19/15/82/1055191582.db2.gz SODUMZNHWAJONE-XZOQPEGZSA-N 1 0 348.490 4.380 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1 ZINC000107714065 1055260130 /nfs/dbraw/zinc/26/01/30/1055260130.db2.gz NKGYTSNWGWSCHN-INIZCTEOSA-N 1 0 333.435 4.181 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000186291305 1055322237 /nfs/dbraw/zinc/32/22/37/1055322237.db2.gz JHYJATXSKVWVSK-UHFFFAOYSA-N 1 0 330.435 4.123 20 30 EIEDRO C=CC(C)(C)CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000878570972 1055344826 /nfs/dbraw/zinc/34/48/26/1055344826.db2.gz JUUHLKWWPGNBTI-UHFFFAOYSA-N 1 0 332.513 4.085 20 30 EIEDRO COC(=O)c1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)ccc1C ZINC000878648183 1055367350 /nfs/dbraw/zinc/36/73/50/1055367350.db2.gz MTNDMMGMRYWUBO-HXUWFJFHSA-N 1 0 336.435 4.306 20 30 EIEDRO CC[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1cccc(C#N)c1 ZINC000902871235 1055477315 /nfs/dbraw/zinc/47/73/15/1055477315.db2.gz KOPPMZMLHMRWMF-SFHVURJKSA-N 1 0 348.475 4.360 20 30 EIEDRO C=C(C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)c2ccccc21)c1ccccc1 ZINC000338671773 1055514615 /nfs/dbraw/zinc/51/46/15/1055514615.db2.gz GXBDGXUNYPVBKT-NHCUHLMSSA-N 1 0 335.447 4.471 20 30 EIEDRO N#Cc1cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)cs1 ZINC000921668576 1055526419 /nfs/dbraw/zinc/52/64/19/1055526419.db2.gz TXCPLDVOJMFFBL-UHFFFAOYSA-N 1 0 333.254 4.161 20 30 EIEDRO COc1ccc(C[NH2+]Cc2csc(C#N)c2)cc1OC1CCCC1 ZINC000921674121 1055562757 /nfs/dbraw/zinc/56/27/57/1055562757.db2.gz XIALXHYNQANOIO-UHFFFAOYSA-N 1 0 342.464 4.240 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccccc3Cl)CCOCC2)cc1 ZINC000106251522 1055671180 /nfs/dbraw/zinc/67/11/80/1055671180.db2.gz QTPZNSZUISVPEB-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000765820804 1055711517 /nfs/dbraw/zinc/71/15/17/1055711517.db2.gz VVEUFFHYWULGDY-PMACEKPBSA-N 1 0 334.467 4.380 20 30 EIEDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000542703509 1055850406 /nfs/dbraw/zinc/85/04/06/1055850406.db2.gz UKNLORTWBONMDB-PMACEKPBSA-N 1 0 335.407 4.175 20 30 EIEDRO C[N@H+](CCCNc1c(C#N)cnc2ccccc21)Cc1ccccc1 ZINC000301138752 1055900588 /nfs/dbraw/zinc/90/05/88/1055900588.db2.gz CPDRLZCYOYFCHB-UHFFFAOYSA-N 1 0 330.435 4.040 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)s1 ZINC000273527656 1055909221 /nfs/dbraw/zinc/90/92/21/1055909221.db2.gz RZXVGXRHDPPUFX-WCQYABFASA-N 1 0 347.871 4.341 20 30 EIEDRO CC[N@H+](C)Cc1cccc(CNc2nc(C(F)(F)F)ccc2C#N)c1 ZINC000301307790 1055919524 /nfs/dbraw/zinc/91/95/24/1055919524.db2.gz VZWYDCFUZXOWFB-UHFFFAOYSA-N 1 0 348.372 4.036 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H]([NH+]4CCCC4)CC3)c2c1 ZINC000301413747 1055934425 /nfs/dbraw/zinc/93/44/25/1055934425.db2.gz ZKSZBQYCZZYAKJ-IBGZPJMESA-N 1 0 348.494 4.178 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000301693878 1055969074 /nfs/dbraw/zinc/96/90/74/1055969074.db2.gz YXSYDYDDEXVEIV-HNNXBMFYSA-N 1 0 346.906 4.088 20 30 EIEDRO N#Cc1ccc(C(F)(F)F)c(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000301737403 1055975521 /nfs/dbraw/zinc/97/55/21/1055975521.db2.gz VUEYZNGLTNHNNI-INIZCTEOSA-N 1 0 349.356 4.419 20 30 EIEDRO CCCCCCc1ccc([C@@H](C)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000765854954 1055982356 /nfs/dbraw/zinc/98/23/56/1055982356.db2.gz BUZCUOPOTQEMIZ-GOSISDBHSA-N 1 0 327.516 4.448 20 30 EIEDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc4cc(C#N)ccc4n3)C2)CC1 ZINC000301994751 1056004896 /nfs/dbraw/zinc/00/48/96/1056004896.db2.gz RXPPNBRGBKLYKH-LJQANCHMSA-N 1 0 348.494 4.055 20 30 EIEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000108367234 1056036765 /nfs/dbraw/zinc/03/67/65/1056036765.db2.gz KFTDHQGKPNJKDU-HUUCEWRRSA-N 1 0 333.501 4.143 20 30 EIEDRO CC(C)(CC[NH+]1CCCCCC1)Nc1snc(Cl)c1C#N ZINC000302335154 1056039477 /nfs/dbraw/zinc/03/94/77/1056039477.db2.gz AQUVBCKZTPVVKG-UHFFFAOYSA-N 1 0 326.897 4.125 20 30 EIEDRO CC1CC[NH+](Cc2ccc(CNc3c(C#N)cccc3C#N)cc2)CC1 ZINC000302472637 1056047541 /nfs/dbraw/zinc/04/75/41/1056047541.db2.gz URWHIDORWXKARJ-UHFFFAOYSA-N 1 0 344.462 4.274 20 30 EIEDRO CC1(C)C[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000554309236 1056055089 /nfs/dbraw/zinc/05/50/89/1056055089.db2.gz OINIJHVFCSMLOT-GOSISDBHSA-N 1 0 339.464 4.031 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc3ccccc3c2)cc1 ZINC000765884034 1056056297 /nfs/dbraw/zinc/05/62/97/1056056297.db2.gz VYRAQOIKPDCPQF-SBUREZEXSA-N 1 0 345.442 4.236 20 30 EIEDRO N#Cc1cccc(C#N)c1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000302904245 1056085778 /nfs/dbraw/zinc/08/57/78/1056085778.db2.gz VACCLZNDENVEFC-UHFFFAOYSA-N 1 0 344.462 4.418 20 30 EIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000542826890 1056150785 /nfs/dbraw/zinc/15/07/85/1056150785.db2.gz BDHNLZQSJHQCAM-LLVKDONJSA-N 1 0 330.291 4.028 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1 ZINC000091682409 1056646384 /nfs/dbraw/zinc/64/63/84/1056646384.db2.gz MDPBAFPDMSEOOT-UHFFFAOYSA-N 1 0 349.478 4.080 20 30 EIEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000921837846 1056684310 /nfs/dbraw/zinc/68/43/10/1056684310.db2.gz CYRZPIGBVVWUGF-GFCCVEGCSA-N 1 0 330.428 4.398 20 30 EIEDRO CCC1CCC([N@H+](CCC(=O)Nc2ccccc2C#N)C2CC2)CC1 ZINC000110982319 1056726122 /nfs/dbraw/zinc/72/61/22/1056726122.db2.gz AGVQVZUBHKIZSV-UHFFFAOYSA-N 1 0 339.483 4.320 20 30 EIEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)c1cccs1 ZINC000111103848 1056746605 /nfs/dbraw/zinc/74/66/05/1056746605.db2.gz VYUGTQMHILPIKX-AWEZNQCLSA-N 1 0 339.386 4.353 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCC(F)(F)F ZINC000075596306 1056799483 /nfs/dbraw/zinc/79/94/83/1056799483.db2.gz GNVJHIDGPZYMCY-UHFFFAOYSA-N 1 0 334.341 4.131 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[NH+]3CCC4(CCCCC4)CC3)o2)cc1 ZINC000075684292 1056807071 /nfs/dbraw/zinc/80/70/71/1056807071.db2.gz VPUGCNAMGUVVRA-UHFFFAOYSA-N 1 0 336.439 4.155 20 30 EIEDRO C#CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000742385168 1058588133 /nfs/dbraw/zinc/58/81/33/1058588133.db2.gz YJLTUDHIABMBSM-UHFFFAOYSA-N 1 0 345.446 4.051 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(OC)c(Cl)c2)c1 ZINC000742371262 1058600288 /nfs/dbraw/zinc/60/02/88/1058600288.db2.gz MWEDKDVVCLRFKM-INIZCTEOSA-N 1 0 344.842 4.319 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2c(C)cccc2F)ccc1OC ZINC000742380225 1058605345 /nfs/dbraw/zinc/60/53/45/1058605345.db2.gz BBBXMKOHBZMRND-UHFFFAOYSA-N 1 0 329.415 4.387 20 30 EIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000742689214 1058723982 /nfs/dbraw/zinc/72/39/82/1058723982.db2.gz NISGEENMZVUMDG-INIZCTEOSA-N 1 0 341.886 4.411 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743262266 1058906467 /nfs/dbraw/zinc/90/64/67/1058906467.db2.gz SNNBBRZMURKWIV-IBGZPJMESA-N 1 0 331.843 4.070 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1cccc(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000743842651 1059135405 /nfs/dbraw/zinc/13/54/05/1059135405.db2.gz JJEXYQIWYULEND-IFXJQAMLSA-N 1 0 328.843 4.328 20 30 EIEDRO CC[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000743860898 1059168082 /nfs/dbraw/zinc/16/80/82/1059168082.db2.gz YXIXEAHZAXAQRP-GHTZIAJQSA-N 1 0 341.499 4.142 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(C)cc2C)cc1OC ZINC000065431650 1060045593 /nfs/dbraw/zinc/04/55/93/1060045593.db2.gz IKBSUSXNGXHRNF-UHFFFAOYSA-N 1 0 325.452 4.209 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1F ZINC000746152153 1060045812 /nfs/dbraw/zinc/04/58/12/1060045812.db2.gz HVOSMEGLYXMCOE-HXUWFJFHSA-N 1 0 344.405 4.028 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)c(C)o1 ZINC001168979122 1060549714 /nfs/dbraw/zinc/54/97/14/1060549714.db2.gz BZKKXQPTXGYTOS-ZDUSSCGKSA-N 1 0 337.341 4.497 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)C1CCCCCC1 ZINC001169135088 1060653522 /nfs/dbraw/zinc/65/35/22/1060653522.db2.gz CAZADBGPXWBRKV-MSOLQXFVSA-N 1 0 341.499 4.270 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCc2ccnc(OC)c2)cc1 ZINC001169224894 1060702272 /nfs/dbraw/zinc/70/22/72/1060702272.db2.gz KGZJAPICHVCHKT-FQEVSTJZSA-N 1 0 337.467 4.068 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(OC(=O)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC001169268233 1060753910 /nfs/dbraw/zinc/75/39/10/1060753910.db2.gz JTZNCTQOODXWOL-YMTQGWHGSA-N 1 0 348.446 4.377 20 30 EIEDRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1c(C)cc(C#N)cc1C ZINC001169394957 1060805841 /nfs/dbraw/zinc/80/58/41/1060805841.db2.gz BCJJPIKCZTVJTL-JOCHJYFZSA-N 1 0 336.479 4.338 20 30 EIEDRO N#CC1(CC[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)CCCCC1 ZINC001169644140 1060894394 /nfs/dbraw/zinc/89/43/94/1060894394.db2.gz LNNKYOJZILLCJK-FQEVSTJZSA-N 1 0 346.902 4.495 20 30 EIEDRO CO/N=C/c1cc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)cc(F)c1F ZINC001169689737 1060901575 /nfs/dbraw/zinc/90/15/75/1060901575.db2.gz NULNWGNFDSUKLZ-HPMPDSITSA-N 1 0 345.393 4.185 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC23CCC(C#N)(CC2)CC3)nc1 ZINC001169748389 1060926340 /nfs/dbraw/zinc/92/63/40/1060926340.db2.gz XFZXMJCWOAGITO-RPCJCACASA-N 1 0 338.499 4.484 20 30 EIEDRO C=C1CCC(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](CC)CC)CC1 ZINC001129347157 1060987887 /nfs/dbraw/zinc/98/78/87/1060987887.db2.gz WYFUIJGRECHYIX-NRFANRHFSA-N 1 0 342.527 4.495 20 30 EIEDRO C#CCC(C)(C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000767067077 1061099029 /nfs/dbraw/zinc/09/90/29/1061099029.db2.gz IFGPDGZZCYJINO-UHFFFAOYSA-N 1 0 340.511 4.117 20 30 EIEDRO Cc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)c(C#N)c(C)c1Cl ZINC001165046796 721965633 /nfs/dbraw/zinc/96/56/33/721965633.db2.gz OTPYWBBKKVLLEQ-INIZCTEOSA-N 1 0 346.906 4.068 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cc1 ZINC000532227358 1032105406 /nfs/dbraw/zinc/10/54/06/1032105406.db2.gz DOZKGDHDPMOLQZ-KSSFIOAISA-N 1 0 341.405 4.156 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cnc3ccccc3c2)cc(OC)c1OC ZINC000729683478 1032130907 /nfs/dbraw/zinc/13/09/07/1032130907.db2.gz RFEFPCLHDPKJCR-UHFFFAOYSA-N 1 0 348.446 4.270 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[C@@]2(C)c2cccs2)cc1 ZINC000360092416 1032239083 /nfs/dbraw/zinc/23/90/83/1032239083.db2.gz JDBNYOLOPYCUNZ-IDHHARJASA-N 1 0 326.465 4.106 20 30 EIEDRO C[C@@H]([N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(C)C ZINC000532927942 1032393189 /nfs/dbraw/zinc/39/31/89/1032393189.db2.gz DRHUCKMMNLTASP-CYBMUJFWSA-N 1 0 347.528 4.194 20 30 EIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1OC ZINC000532990393 1032439022 /nfs/dbraw/zinc/43/90/22/1032439022.db2.gz ZJHPCQVVNNMSJQ-AWEZNQCLSA-N 1 0 342.414 4.346 20 30 EIEDRO C=C(C)[C@H](NC(=O)NCc1cnc(C)cc1C)c1ccc(F)c(F)c1 ZINC000454813764 1032502317 /nfs/dbraw/zinc/50/23/17/1032502317.db2.gz OBCIMMPDGGDBEZ-SFHVURJKSA-N 1 0 345.393 4.093 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc21 ZINC000127469073 1032545547 /nfs/dbraw/zinc/54/55/47/1032545547.db2.gz ANRNZPSTTUQKLW-HZPDHXFCSA-N 1 0 343.430 4.389 20 30 EIEDRO CCC(CC)c1cc[n+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000179846702 1032574911 /nfs/dbraw/zinc/57/49/11/1032574911.db2.gz SPVJJSBVVPCMCO-NRFANRHFSA-N 1 0 348.470 4.117 20 30 EIEDRO C=CC1CCN([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000533287317 1032597937 /nfs/dbraw/zinc/59/79/37/1032597937.db2.gz XMEVWWBEXLZGEF-LLVKDONJSA-N 1 0 327.255 4.218 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)c(F)c1 ZINC000533308962 1032618366 /nfs/dbraw/zinc/61/83/66/1032618366.db2.gz UBRHDWNEPJEDFX-INIZCTEOSA-N 1 0 343.833 4.109 20 30 EIEDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2ccccc2C#N)c1 ZINC000533299993 1032629909 /nfs/dbraw/zinc/62/99/09/1032629909.db2.gz VQDWLDANIVLESS-QGZVFWFLSA-N 1 0 335.451 4.197 20 30 EIEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)c1 ZINC000533384314 1032702580 /nfs/dbraw/zinc/70/25/80/1032702580.db2.gz UKFHLHTYYJUZLC-NRFANRHFSA-N 1 0 333.435 4.018 20 30 EIEDRO CCn1cc(C[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000533440536 1032772482 /nfs/dbraw/zinc/77/24/82/1032772482.db2.gz BPVMQTDKYOXSOT-UHFFFAOYSA-N 1 0 330.435 4.074 20 30 EIEDRO C=CCC1(NC(=O)Nc2ccccc2CC[NH+](C)C)CCCCC1 ZINC000455226406 1032776538 /nfs/dbraw/zinc/77/65/38/1032776538.db2.gz KZHYFHLTRYVIJL-UHFFFAOYSA-N 1 0 329.488 4.191 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(OCC)c1 ZINC000535789992 1018810706 /nfs/dbraw/zinc/81/07/06/1018810706.db2.gz LQVRRCPQSGIOGV-UHFFFAOYSA-N 1 0 338.451 4.378 20 30 EIEDRO N#Cc1cccc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c1 ZINC000533490563 1032799055 /nfs/dbraw/zinc/79/90/55/1032799055.db2.gz LCOQZUAEIJXYJR-UHFFFAOYSA-N 1 0 331.394 4.468 20 30 EIEDRO COc1ccc([C@@H](CCC#N)[NH2+]CCCOc2ccc(F)cc2)cc1 ZINC000579795728 1018991268 /nfs/dbraw/zinc/99/12/68/1018991268.db2.gz CPGDDMNLOBQBFC-HXUWFJFHSA-N 1 0 342.414 4.238 20 30 EIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC001167064703 1019220101 /nfs/dbraw/zinc/22/01/01/1019220101.db2.gz XSHWWRGJUAXPFN-RBUKOAKNSA-N 1 0 326.827 4.082 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1C ZINC000610216556 1019414053 /nfs/dbraw/zinc/41/40/53/1019414053.db2.gz PYPCIHGSYFYJLR-SJLPKXTDSA-N 1 0 341.499 4.061 20 30 EIEDRO COc1ccc(C[NH2+]C[C@H]2CCCC2(C)C)cc1OCCCC#N ZINC000339573297 1019419343 /nfs/dbraw/zinc/41/93/43/1019419343.db2.gz ATBSPLVBKAYHOD-QGZVFWFLSA-N 1 0 330.472 4.294 20 30 EIEDRO N#Cc1c(Cl)nsc1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000051454272 1032842271 /nfs/dbraw/zinc/84/22/71/1032842271.db2.gz WPXVRIZYBKKMON-UHFFFAOYSA-N 1 0 346.887 4.266 20 30 EIEDRO C[N@H+](CCCc1cccc(C#N)c1)Cc1ncccc1C(F)(F)F ZINC001208844223 1019735822 /nfs/dbraw/zinc/73/58/22/1019735822.db2.gz GIUZMIFPYDXARL-UHFFFAOYSA-N 1 0 333.357 4.037 20 30 EIEDRO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2c2ccccc2Cl)c1 ZINC001167084033 1019743991 /nfs/dbraw/zinc/74/39/91/1019743991.db2.gz JXHPHIPCSNNBHY-IBGZPJMESA-N 1 0 326.827 4.428 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274816890 1019757278 /nfs/dbraw/zinc/75/72/78/1019757278.db2.gz ZJHHKFHHHPXGQA-WSTZPKSXSA-N 1 0 349.478 4.300 20 30 EIEDRO C=CCOc1ccc(CN(Cc2nccc(C)n2)C(C)(C)C)cc1 ZINC000339662036 1019783554 /nfs/dbraw/zinc/78/35/54/1019783554.db2.gz FEFTYTRTMQCYGI-UHFFFAOYSA-N 1 0 325.456 4.151 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179620765 1019787865 /nfs/dbraw/zinc/78/78/65/1019787865.db2.gz TUTXYBNCNJVRQZ-OAHLLOKOSA-N 1 0 326.362 4.143 20 30 EIEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000274868928 1019816517 /nfs/dbraw/zinc/81/65/17/1019816517.db2.gz WQIFHUHVVMHLAS-MRXNPFEDSA-N 1 0 326.440 4.286 20 30 EIEDRO CCOc1cc2c(cc1OCC)C[N@H+](CC(C)(C)CCC#N)CC2 ZINC000179751048 1019832936 /nfs/dbraw/zinc/83/29/36/1019832936.db2.gz QKGQVBIESSORCZ-UHFFFAOYSA-N 1 0 330.472 4.172 20 30 EIEDRO COc1ccc(C[NH2+]CC23CCC(CC2)C3)cc1OCCCC#N ZINC000339792225 1019875801 /nfs/dbraw/zinc/87/58/01/1019875801.db2.gz NRWUYZRZABKOQV-UHFFFAOYSA-N 1 0 328.456 4.048 20 30 EIEDRO C=CCCC[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001209160404 1020067325 /nfs/dbraw/zinc/06/73/25/1020067325.db2.gz XLGMCZLITQMTIB-UHFFFAOYSA-N 1 0 333.273 4.272 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCCC12CCOCC2 ZINC001167115531 1020214301 /nfs/dbraw/zinc/21/43/01/1020214301.db2.gz FMQVGJZYAWACKA-LJQANCHMSA-N 1 0 329.484 4.280 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000584024987 1020259813 /nfs/dbraw/zinc/25/98/13/1020259813.db2.gz ITRPBXJTBYBZGI-AZUAARDMSA-N 1 0 328.500 4.007 20 30 EIEDRO CC[N@H+](CCN1CCCc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC001167129673 1020303307 /nfs/dbraw/zinc/30/33/07/1020303307.db2.gz AUTHFQFHHBRPTF-SFHVURJKSA-N 1 0 333.479 4.394 20 30 EIEDRO Cc1noc(C(C)C)c1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000328638922 1020315705 /nfs/dbraw/zinc/31/57/05/1020315705.db2.gz BTXSGEKREQFXGL-UHFFFAOYSA-N 1 0 347.503 4.454 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001209442611 1020351593 /nfs/dbraw/zinc/35/15/93/1020351593.db2.gz ZGFBCTICUMJTJW-OAQYLSRUSA-N 1 0 341.499 4.037 20 30 EIEDRO C=CCCCCCCCC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001209444290 1020354017 /nfs/dbraw/zinc/35/40/17/1020354017.db2.gz OWIPWSKANGMFCV-UXHICEINSA-N 1 0 334.548 4.482 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000510209490 1020459750 /nfs/dbraw/zinc/45/97/50/1020459750.db2.gz IAZPXAXATWDGCD-ONEGZZNKSA-N 1 0 344.430 4.373 20 30 EIEDRO CCO[C@@H]1C[C@H]([N@H+](C)CCCC2(C#N)CCOCC2)C12CCCCC2 ZINC000375609594 1020705234 /nfs/dbraw/zinc/70/52/34/1020705234.db2.gz BCANKNIHVFTOEY-RBUKOAKNSA-N 1 0 348.531 4.147 20 30 EIEDRO C#CC[N@@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001167273390 1020750749 /nfs/dbraw/zinc/75/07/49/1020750749.db2.gz FCYNNUDEYGUHTJ-GOSISDBHSA-N 1 0 348.531 4.292 20 30 EIEDRO CC(C)c1ccccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC001167287854 1020865493 /nfs/dbraw/zinc/86/54/93/1020865493.db2.gz UTKJGXGWRJMSNN-UHFFFAOYSA-N 1 0 337.442 4.143 20 30 EIEDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC001167291477 1020886105 /nfs/dbraw/zinc/88/61/05/1020886105.db2.gz NYFXAJTYRBALFP-AWEZNQCLSA-N 1 0 328.843 4.283 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2nc(C3CCCCC3)cs2)s1 ZINC000176972818 1020942609 /nfs/dbraw/zinc/94/26/09/1020942609.db2.gz QODHTIFCYJAYHQ-UHFFFAOYSA-N 1 0 331.510 4.456 20 30 EIEDRO CCO[C@H](CC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)C1CCCC1 ZINC000177583555 1020990293 /nfs/dbraw/zinc/99/02/93/1020990293.db2.gz CYRFOKOUBUQCJA-OXQOHEQNSA-N 1 0 330.472 4.052 20 30 EIEDRO CC(C)(C)C(=O)N1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340428879 1021011258 /nfs/dbraw/zinc/01/12/58/1021011258.db2.gz BLBOTQACVWSXCO-IBGZPJMESA-N 1 0 341.499 4.048 20 30 EIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000261475197 1021034311 /nfs/dbraw/zinc/03/43/11/1021034311.db2.gz KOAFQMXMHRVBNP-KRWDZBQOSA-N 1 0 339.464 4.094 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000340443856 1021038827 /nfs/dbraw/zinc/03/88/27/1021038827.db2.gz JCLZCPHFJXAKEX-LJQANCHMSA-N 1 0 327.399 4.394 20 30 EIEDRO Cc1cc2ncc([C@@H](C)[NH2+][C@H](CCCC#N)c3ccccc3)c(C)n2n1 ZINC000340444775 1021039972 /nfs/dbraw/zinc/03/99/72/1021039972.db2.gz JKSPBOMTOKUSLO-OXQOHEQNSA-N 1 0 347.466 4.432 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000547975776 1021044527 /nfs/dbraw/zinc/04/45/27/1021044527.db2.gz NSPLJQBSKSGFNN-LJQANCHMSA-N 1 0 328.500 4.069 20 30 EIEDRO CC1(c2cccc(Br)c2)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000579978346 1021068716 /nfs/dbraw/zinc/06/87/16/1021068716.db2.gz WTFWFNUXCXAUCS-YOEHRIQHSA-N 1 0 347.300 4.495 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c(F)c1 ZINC000609195089 1021090707 /nfs/dbraw/zinc/09/07/07/1021090707.db2.gz YUEGZDNPAWPUNG-UHFFFAOYSA-N 1 0 330.353 4.355 20 30 EIEDRO C[C@@]1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO[C@@H]1C1CC1 ZINC000468045134 1021158308 /nfs/dbraw/zinc/15/83/08/1021158308.db2.gz QEISPBZWPQOALT-QSRFUDQGSA-N 1 0 338.495 4.185 20 30 EIEDRO C=C(C)CC[NH2+][C@@H]1CCN(C)[C@H](c2ccc(Br)cc2)C1 ZINC000639225926 1021237878 /nfs/dbraw/zinc/23/78/78/1021237878.db2.gz BAYWGEDTVLEOEV-SJORKVTESA-N 1 0 337.305 4.140 20 30 EIEDRO CC[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1 ZINC000579195864 1021258169 /nfs/dbraw/zinc/25/81/69/1021258169.db2.gz FXRSFSVPSQQQCB-SFHVURJKSA-N 1 0 330.378 4.443 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc2ccccc21 ZINC000610343413 1021339522 /nfs/dbraw/zinc/33/95/22/1021339522.db2.gz FZFJGHBKCJVIER-HZPDHXFCSA-N 1 0 343.430 4.389 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1cccc(C#N)c1 ZINC000610344942 1021340831 /nfs/dbraw/zinc/34/08/31/1021340831.db2.gz OEECIULHTSZVCD-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610345874 1021344611 /nfs/dbraw/zinc/34/46/11/1021344611.db2.gz BCVQXTWKISGXIC-QZTJIDSGSA-N 1 0 349.478 4.035 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610346454 1021356943 /nfs/dbraw/zinc/35/69/43/1021356943.db2.gz VATNUAQOEAWJTG-UONOGXRCSA-N 1 0 341.842 4.198 20 30 EIEDRO N#Cc1cc(Cl)ccc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000511383613 1021423459 /nfs/dbraw/zinc/42/34/59/1021423459.db2.gz YOVNZVYYKNUUJQ-UHFFFAOYSA-N 1 0 339.870 4.331 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1Cl ZINC000092071445 1021468147 /nfs/dbraw/zinc/46/81/47/1021468147.db2.gz AKFYQXHXRCXDKQ-OAHLLOKOSA-N 1 0 331.847 4.008 20 30 EIEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000471526028 1021536887 /nfs/dbraw/zinc/53/68/87/1021536887.db2.gz BWGATZQTRKSLEU-INIZCTEOSA-N 1 0 333.501 4.239 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c(F)c1 ZINC000610370721 1021550588 /nfs/dbraw/zinc/55/05/88/1021550588.db2.gz LYHLUVWQYSBUTG-MRXNPFEDSA-N 1 0 326.440 4.312 20 30 EIEDRO Cc1ccc(C[C@H]([NH2+]Cc2cc(C#N)cs2)c2ccccn2)cc1 ZINC000177702309 1021554866 /nfs/dbraw/zinc/55/48/66/1021554866.db2.gz XTHURHRUVNNRCD-FQEVSTJZSA-N 1 0 333.460 4.397 20 30 EIEDRO Cc1nc2ccc(Br)cn2c1Nc1ccccc1C#N ZINC001210738883 1021585222 /nfs/dbraw/zinc/58/52/22/1021585222.db2.gz CNEWUQLDWUMDPO-UHFFFAOYSA-N 1 0 327.185 4.021 20 30 EIEDRO C[C@@H]1CC(=O)C=C(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)C1 ZINC001210776044 1021665222 /nfs/dbraw/zinc/66/52/22/1021665222.db2.gz LCUBKRMZKOJDIF-KKSFZXQISA-N 1 0 338.495 4.325 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000581035111 1021824605 /nfs/dbraw/zinc/82/46/05/1021824605.db2.gz JESJVQQRVIVWLV-CQSZACIVSA-N 1 0 347.393 4.140 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177743822 1021876777 /nfs/dbraw/zinc/87/67/77/1021876777.db2.gz DGCXZWCTGNKNPP-VXKWHMMOSA-N 1 0 346.405 4.110 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ccc(Cl)cc3)C1)CC2 ZINC000582055531 1021904002 /nfs/dbraw/zinc/90/40/02/1021904002.db2.gz REUPBPPCZMGMGE-XLIONFOSSA-N 1 0 337.854 4.067 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(OC(F)F)cc1OC(F)F ZINC000414161590 1022001190 /nfs/dbraw/zinc/00/11/90/1022001190.db2.gz FSFPLZCCSMTGOL-JTQLQIEISA-N 1 0 348.340 4.480 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCSCc2ccccc2)cc1 ZINC000728712983 1022009715 /nfs/dbraw/zinc/00/97/15/1022009715.db2.gz HHDUMOOQVIYUFM-INIZCTEOSA-N 1 0 326.465 4.000 20 30 EIEDRO COc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000548096882 1022023811 /nfs/dbraw/zinc/02/38/11/1022023811.db2.gz RTXHMNDNJXFZND-HOTGVXAUSA-N 1 0 336.435 4.129 20 30 EIEDRO C=CC[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000187873983 1022334719 /nfs/dbraw/zinc/33/47/19/1022334719.db2.gz IQYBAFYBHILMCT-HXUWFJFHSA-N 1 0 328.500 4.119 20 30 EIEDRO C=C(CC)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941725 1022348168 /nfs/dbraw/zinc/34/81/68/1022348168.db2.gz CZRANWXDEUNYHP-RKDXNWHRSA-N 1 0 337.254 4.055 20 30 EIEDRO N#Cc1ccc(CN2CC[C@H]2c2ccccc2)c(Br)c1 ZINC000481041576 1022389385 /nfs/dbraw/zinc/38/93/85/1022389385.db2.gz VMUNKPIUXCVETJ-KRWDZBQOSA-N 1 0 327.225 4.268 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000414294779 1022426886 /nfs/dbraw/zinc/42/68/86/1022426886.db2.gz DUXWWYVHWAGIPP-QFBILLFUSA-N 1 0 334.467 4.184 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccsc1 ZINC000341398397 1022464280 /nfs/dbraw/zinc/46/42/80/1022464280.db2.gz PDISMHBGZTULMY-QGZVFWFLSA-N 1 0 344.440 4.023 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000414308272 1022475373 /nfs/dbraw/zinc/47/53/73/1022475373.db2.gz SPESXNYDNIRCGU-CTWPCTMYSA-N 1 0 325.456 4.181 20 30 EIEDRO C=CCCCC[NH2+][C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000471617581 1022478694 /nfs/dbraw/zinc/47/86/94/1022478694.db2.gz GRLMWFCFWYBGKW-OALUTQOASA-N 1 0 335.513 4.026 20 30 EIEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000511507008 1022484931 /nfs/dbraw/zinc/48/49/31/1022484931.db2.gz OXMKRORLEINQJU-UHFFFAOYSA-N 1 0 348.425 4.152 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000472939470 1022499496 /nfs/dbraw/zinc/49/94/96/1022499496.db2.gz MLKKBRFJBMTMQK-IRLDBZIGSA-N 1 0 337.463 4.122 20 30 EIEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)c1 ZINC000378240756 1022557258 /nfs/dbraw/zinc/55/72/58/1022557258.db2.gz BPXCUGDXMBLLIA-MRXNPFEDSA-N 1 0 335.382 4.218 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000180360382 1022570023 /nfs/dbraw/zinc/57/00/23/1022570023.db2.gz ZGJBTWJMWHKINB-CQSZACIVSA-N 1 0 341.436 4.050 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1F)c1ccc(OCC#N)cc1 ZINC000181411540 1022653826 /nfs/dbraw/zinc/65/38/26/1022653826.db2.gz WEFCTUYMUGNFPR-OAHLLOKOSA-N 1 0 344.455 4.312 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000186691882 1022720261 /nfs/dbraw/zinc/72/02/61/1022720261.db2.gz SKGYHFMYCHSDIJ-IAQYHMDHSA-N 1 0 336.888 4.360 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180903928 1022857578 /nfs/dbraw/zinc/85/75/78/1022857578.db2.gz BGOMGWPATGGHGR-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO CC(C)COC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177039868 1022864364 /nfs/dbraw/zinc/86/43/64/1022864364.db2.gz VNOKMUIIKOARBB-UHFFFAOYSA-N 1 0 339.401 4.194 20 30 EIEDRO CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1nc(C#N)cs1 ZINC000581280767 1022958920 /nfs/dbraw/zinc/95/89/20/1022958920.db2.gz YGAGAZMCSCGKMJ-GFCCVEGCSA-N 1 0 340.279 4.432 20 30 EIEDRO CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]Cc1nc(C#N)cs1 ZINC000581280772 1022960209 /nfs/dbraw/zinc/96/02/09/1022960209.db2.gz YGAGAZMCSCGKMJ-LBPRGKRZSA-N 1 0 340.279 4.432 20 30 EIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)CCCCCC#N)CC1 ZINC000588150940 1023012062 /nfs/dbraw/zinc/01/20/62/1023012062.db2.gz NCYRVEOMCGAPKF-UHFFFAOYSA-N 1 0 341.499 4.009 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C(C)(C)O1 ZINC000584583744 1023060285 /nfs/dbraw/zinc/06/02/85/1023060285.db2.gz ZCANOTOTURTKOR-CQSZACIVSA-N 1 0 326.362 4.013 20 30 EIEDRO C[N@H+](CCCCC(C)(C)C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388156280 1023081804 /nfs/dbraw/zinc/08/18/04/1023081804.db2.gz HNOIRCVQDXMPRD-HXUWFJFHSA-N 1 0 327.516 4.303 20 30 EIEDRO N#Cc1cc2ccccc2nc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311363334 1023127074 /nfs/dbraw/zinc/12/70/74/1023127074.db2.gz IHXVWWQYUQOVGC-SFHVURJKSA-N 1 0 342.446 4.040 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186434134 1023128453 /nfs/dbraw/zinc/12/84/53/1023128453.db2.gz IEFSPKXMDSRHGJ-RDTXWAMCSA-N 1 0 348.368 4.413 20 30 EIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000053235433 1023198593 /nfs/dbraw/zinc/19/85/93/1023198593.db2.gz AVGBDKWVVDHBGJ-LBPRGKRZSA-N 1 0 347.871 4.295 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)s1 ZINC000414524104 1023247560 /nfs/dbraw/zinc/24/75/60/1023247560.db2.gz HQJPNLAEJFHHMX-IBGZPJMESA-N 1 0 340.492 4.393 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1nc2ccccc2n1C ZINC000417362384 1023286656 /nfs/dbraw/zinc/28/66/56/1023286656.db2.gz JSQDKIMNWWOORX-KDOFPFPSSA-N 1 0 330.435 4.173 20 30 EIEDRO COC(=O)c1csc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417361155 1023287222 /nfs/dbraw/zinc/28/72/22/1023287222.db2.gz IPJLQOQETUFAHV-PXAZEXFGSA-N 1 0 340.448 4.135 20 30 EIEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417366893 1023293266 /nfs/dbraw/zinc/29/32/66/1023293266.db2.gz NZIOTEXNMQUBLX-SPLOXXLWSA-N 1 0 333.435 4.245 20 30 EIEDRO Cc1ccc(-c2nn(-c3ccccc3)cc2CNCC2(C#N)CC2)cc1 ZINC000584757102 1023293293 /nfs/dbraw/zinc/29/32/93/1023293293.db2.gz PVNNCBVDBXURJW-UHFFFAOYSA-N 1 0 342.446 4.241 20 30 EIEDRO C#CCC1([NH2+]Cc2ncc(-c3ccccc3Br)o2)CCC1 ZINC000933299250 1023333865 /nfs/dbraw/zinc/33/38/65/1023333865.db2.gz RQTTUJBHEUIGIN-UHFFFAOYSA-N 1 0 345.240 4.140 20 30 EIEDRO C#CCC1([NH2+]CCC(=O)Nc2ccccc2-c2ccccc2)CCC1 ZINC000933300684 1023345054 /nfs/dbraw/zinc/34/50/54/1023345054.db2.gz JNSIASAIERZJLI-UHFFFAOYSA-N 1 0 332.447 4.218 20 30 EIEDRO C=CCCN(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000276380668 1023405582 /nfs/dbraw/zinc/40/55/82/1023405582.db2.gz YUVHHGMPEODQFP-UHFFFAOYSA-N 1 0 329.488 4.491 20 30 EIEDRO C(#Cc1ccccc1)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000310966911 1023492774 /nfs/dbraw/zinc/49/27/74/1023492774.db2.gz QSUGDBCNDSKGIF-UHFFFAOYSA-N 1 0 327.427 4.407 20 30 EIEDRO N#CCCCC[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000892930371 1023510947 /nfs/dbraw/zinc/51/09/47/1023510947.db2.gz VCXXYOVERCWFMR-UHFFFAOYSA-N 1 0 340.377 4.063 20 30 EIEDRO C=C(C)CN(C)C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000497686032 1023519750 /nfs/dbraw/zinc/51/97/50/1023519750.db2.gz IDCZDYYNQLLSMR-KRWDZBQOSA-N 1 0 331.504 4.114 20 30 EIEDRO CSc1ccc(C[NH2+][C@@H](C)c2ccnn2C2CCC2)cc1C#N ZINC000926867286 1023525515 /nfs/dbraw/zinc/52/55/15/1023525515.db2.gz BUTGCNPJEKPCKM-ZDUSSCGKSA-N 1 0 326.469 4.052 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)cc1Cl ZINC000656790735 1023532221 /nfs/dbraw/zinc/53/22/21/1023532221.db2.gz MFFUTGJMVOHJKC-GOSISDBHSA-N 1 0 328.843 4.264 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C)C[C@H]1C ZINC000077318768 1023551041 /nfs/dbraw/zinc/55/10/41/1023551041.db2.gz VNZFJLKGHXTCTR-OAGGEKHMSA-N 1 0 345.512 4.140 20 30 EIEDRO CCN(CC)c1ncc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418140823 1023562514 /nfs/dbraw/zinc/56/25/14/1023562514.db2.gz FYAIPUVKMLORHJ-SFHVURJKSA-N 1 0 340.496 4.028 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)Oc2ccc(C)cc2)cc1OC ZINC000462734617 1023613050 /nfs/dbraw/zinc/61/30/50/1023613050.db2.gz JNLDAAYSKUNEKZ-QGZVFWFLSA-N 1 0 341.451 4.126 20 30 EIEDRO CS[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000583841416 1023624619 /nfs/dbraw/zinc/62/46/19/1023624619.db2.gz TUQKVQSNBWWDCQ-AWEZNQCLSA-N 1 0 330.419 4.444 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000220354382 1023679808 /nfs/dbraw/zinc/67/98/08/1023679808.db2.gz FBMDSDFCIYEMHI-KBPBESRZSA-N 1 0 342.405 4.169 20 30 EIEDRO CCOc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cc(Cl)c1OC ZINC000127291829 1023687815 /nfs/dbraw/zinc/68/78/15/1023687815.db2.gz HJKAFKITRKFZHZ-UHFFFAOYSA-N 1 0 344.842 4.251 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000759842153 1023703430 /nfs/dbraw/zinc/70/34/30/1023703430.db2.gz CHQTVEQYZLCLEL-BFUOFWGJSA-N 1 0 346.833 4.467 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000415584450 1023709454 /nfs/dbraw/zinc/70/94/54/1023709454.db2.gz SMBFVHXWGCXZSC-NVXWUHKLSA-N 1 0 329.488 4.130 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000278836188 1023749775 /nfs/dbraw/zinc/74/97/75/1023749775.db2.gz QNQBEXGRGXKQCX-HZCBDIJESA-N 1 0 348.490 4.122 20 30 EIEDRO Cc1cc(C)c(C#N)c(NCc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000015117596 1023754805 /nfs/dbraw/zinc/75/48/05/1023754805.db2.gz ZXMASMVIJQEONY-UHFFFAOYSA-N 1 0 334.467 4.168 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178176325 1023779963 /nfs/dbraw/zinc/77/99/63/1023779963.db2.gz MOFNZWNQVOLWKN-GJZGRUSLSA-N 1 0 348.450 4.254 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000187438766 1023785933 /nfs/dbraw/zinc/78/59/33/1023785933.db2.gz NNDIBVMJLDDOFX-QRWLVFNGSA-N 1 0 340.854 4.469 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000187438748 1023786399 /nfs/dbraw/zinc/78/63/99/1023786399.db2.gz NNDIBVMJLDDOFX-FOIQADDNSA-N 1 0 340.854 4.469 20 30 EIEDRO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000341485410 1023808868 /nfs/dbraw/zinc/80/88/68/1023808868.db2.gz PDORTXAZMDCBOP-KRWDZBQOSA-N 1 0 336.435 4.152 20 30 EIEDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000341494896 1023810310 /nfs/dbraw/zinc/81/03/10/1023810310.db2.gz YNIBXHPATLEZOC-UHOSZYNNSA-N 1 0 342.483 4.388 20 30 EIEDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000341494897 1023810550 /nfs/dbraw/zinc/81/05/50/1023810550.db2.gz YNIBXHPATLEZOC-WDSOQIARSA-N 1 0 342.483 4.388 20 30 EIEDRO CCN(Cc1ccc(C#N)s1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000511667434 1023825832 /nfs/dbraw/zinc/82/58/32/1023825832.db2.gz OIUBGCLQOQPLDG-AEFFLSMTSA-N 1 0 339.508 4.277 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC(Nc2nc(C)cs2)CC1 ZINC000473066501 1023867849 /nfs/dbraw/zinc/86/78/49/1023867849.db2.gz UFYRUKACRQXNKU-UHFFFAOYSA-N 1 0 343.496 4.093 20 30 EIEDRO C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000328863917 1023893306 /nfs/dbraw/zinc/89/33/06/1023893306.db2.gz VZXISZVDWCBLTB-QAPCUYQASA-N 1 0 343.471 4.111 20 30 EIEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]CCCSCC#N)cc2)cs1 ZINC000341591825 1023899547 /nfs/dbraw/zinc/89/95/47/1023899547.db2.gz GMGWOHBZCGHRSM-CYBMUJFWSA-N 1 0 331.510 4.416 20 30 EIEDRO C#CCCC[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000276729770 1023913840 /nfs/dbraw/zinc/91/38/40/1023913840.db2.gz DCZCDMUZFGTFNX-UHFFFAOYSA-N 1 0 340.492 4.412 20 30 EIEDRO O=C1C=COC2(CC[NH+](Cc3ccc(Cl)c4ccccc34)CC2)C1 ZINC000933645490 1023936567 /nfs/dbraw/zinc/93/65/67/1023936567.db2.gz RFVOIQPTGKRZTB-UHFFFAOYSA-N 1 0 341.838 4.331 20 30 EIEDRO C=CC[C@@H]1CC[C@H](Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1 ZINC000651764042 1023996305 /nfs/dbraw/zinc/99/63/05/1023996305.db2.gz ALKQQDOMTHLYPJ-SJORKVTESA-N 1 0 329.488 4.042 20 30 EIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000430745260 1024003960 /nfs/dbraw/zinc/00/39/60/1024003960.db2.gz WLAVAVILNKKOEO-WBVHZDCISA-N 1 0 346.446 4.118 20 30 EIEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC2(CC#N)CC2)cc1 ZINC000430764476 1024020533 /nfs/dbraw/zinc/02/05/33/1024020533.db2.gz SELOFTRPTGUOKI-HXUWFJFHSA-N 1 0 338.426 4.402 20 30 EIEDRO CO[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1Cl ZINC000124994473 1024043761 /nfs/dbraw/zinc/04/37/61/1024043761.db2.gz DHGQGGNGJBYMON-KUHUBIRLSA-N 1 0 344.842 4.108 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000651672811 1024148031 /nfs/dbraw/zinc/14/80/31/1024148031.db2.gz LUXUKWXGDFWXCY-FHLIZLRMSA-N 1 0 329.875 4.497 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc(OC)c1O ZINC000093116540 1024163905 /nfs/dbraw/zinc/16/39/05/1024163905.db2.gz USQDMVSGBBZPPD-LJQANCHMSA-N 1 0 341.426 4.436 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC000651695646 1024216492 /nfs/dbraw/zinc/21/64/92/1024216492.db2.gz SCZUZPRSDBXQEN-OXJNMPFZSA-N 1 0 335.451 4.168 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2CCC(C)C)CC1 ZINC000592907171 1024224523 /nfs/dbraw/zinc/22/45/23/1024224523.db2.gz WKWMMJWJNXLFTO-UHFFFAOYSA-N 1 0 329.488 4.047 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(COc2ccc(F)cc2)no1 ZINC000661120049 1024243465 /nfs/dbraw/zinc/24/34/65/1024243465.db2.gz ZFXPJTUTHQMCPA-WMLDXEAASA-N 1 0 345.418 4.012 20 30 EIEDRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181762597 1024254620 /nfs/dbraw/zinc/25/46/20/1024254620.db2.gz BOGVICOLLYVZKM-MSOLQXFVSA-N 1 0 333.479 4.434 20 30 EIEDRO C=CCCCC[NH2+][C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000471889240 1024300759 /nfs/dbraw/zinc/30/07/59/1024300759.db2.gz WHNWBWNRYIENIW-FQEVSTJZSA-N 1 0 338.451 4.321 20 30 EIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@H](O)CC2(C#N)CCC2)c1C ZINC001167493542 1024340728 /nfs/dbraw/zinc/34/07/28/1024340728.db2.gz ZNOLYDNWXIWREQ-QUCCMNQESA-N 1 0 326.484 4.275 20 30 EIEDRO CCSc1cccc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)c1 ZINC000473139442 1024384687 /nfs/dbraw/zinc/38/46/87/1024384687.db2.gz AQUIPRCNLIKUOI-UHFFFAOYSA-N 1 0 340.492 4.319 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1Br ZINC000341710621 1024385469 /nfs/dbraw/zinc/38/54/69/1024385469.db2.gz NETIDYBLUMEFEK-SFHVURJKSA-N 1 0 341.252 4.488 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1OCCCC#N ZINC000341720102 1024462577 /nfs/dbraw/zinc/46/25/77/1024462577.db2.gz YFVXUKJXZDEDNW-UHFFFAOYSA-N 1 0 338.398 4.045 20 30 EIEDRO C=CCC1([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)CCCC1 ZINC000661849411 1024591323 /nfs/dbraw/zinc/59/13/23/1024591323.db2.gz UPILCOFNFPBFKP-UHFFFAOYSA-N 1 0 338.451 4.188 20 30 EIEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341755759 1024607359 /nfs/dbraw/zinc/60/73/59/1024607359.db2.gz ADTNAJAZGUJDHZ-JLTOFOAXSA-N 1 0 336.435 4.304 20 30 EIEDRO CCN(Cc1ccc(OCc2ccccc2)c(OC)c1)C[C@@H](C)C#N ZINC000091983796 1024708208 /nfs/dbraw/zinc/70/82/08/1024708208.db2.gz GPRDUCTVZSKQJQ-KRWDZBQOSA-N 1 0 338.451 4.256 20 30 EIEDRO CC[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000343885859 1024796909 /nfs/dbraw/zinc/79/69/09/1024796909.db2.gz PTMKPNKOJPYEDL-QGZVFWFLSA-N 1 0 337.467 4.250 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2CCC(C#N)CC2)cc1OC ZINC000598980280 1024847173 /nfs/dbraw/zinc/84/71/73/1024847173.db2.gz RBDMCPGEIDYOAQ-UHFFFAOYSA-N 1 0 348.874 4.333 20 30 EIEDRO COC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000341892188 1024948596 /nfs/dbraw/zinc/94/85/96/1024948596.db2.gz WGQQNMWVLCPQAY-PMACEKPBSA-N 1 0 342.389 4.191 20 30 EIEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000341892968 1024960044 /nfs/dbraw/zinc/96/00/44/1024960044.db2.gz XIJUGJHZXSWJKH-CRAIPNDOSA-N 1 0 349.906 4.025 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000341930379 1024998758 /nfs/dbraw/zinc/99/87/58/1024998758.db2.gz LQPZIPWSMGXBKA-HXUWFJFHSA-N 1 0 333.435 4.184 20 30 EIEDRO C=CCC[C@H]([NH2+]CCOc1ccc(C#N)cc1OC)c1ccccc1 ZINC000341937858 1025002465 /nfs/dbraw/zinc/00/24/65/1025002465.db2.gz CTFPLVWRGJAXGE-IBGZPJMESA-N 1 0 336.435 4.243 20 30 EIEDRO C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1cccc(C#N)c1 ZINC000610830490 1025051466 /nfs/dbraw/zinc/05/14/66/1025051466.db2.gz WXRHYZMMRMANHR-MFPRGYPFSA-N 1 0 345.446 4.042 20 30 EIEDRO CC(C)(C)[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301634032 1025052404 /nfs/dbraw/zinc/05/24/04/1025052404.db2.gz VMYUSZQBAUJTGA-UHFFFAOYSA-N 1 0 325.378 4.252 20 30 EIEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000610859513 1025072893 /nfs/dbraw/zinc/07/28/93/1025072893.db2.gz DVCLUKYUTZATHJ-OAQYLSRUSA-N 1 0 347.506 4.194 20 30 EIEDRO COc1ccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)cc1C#N ZINC000610992527 1025236573 /nfs/dbraw/zinc/23/65/73/1025236573.db2.gz NSJQRUZBGGPQIH-UHFFFAOYSA-N 1 0 342.389 4.225 20 30 EIEDRO N#Cc1csc(C[NH2+]CCOCc2ccc(Cl)cc2Cl)c1 ZINC000538488164 1025436263 /nfs/dbraw/zinc/43/62/63/1025436263.db2.gz RYFMXVIYHJHHHK-UHFFFAOYSA-N 1 0 341.263 4.233 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(CCOCc3ccccc3)CC2)c(F)c1 ZINC000472060410 1025569155 /nfs/dbraw/zinc/56/91/55/1025569155.db2.gz UCBPZSDFEFSCFQ-UHFFFAOYSA-N 1 0 338.426 4.174 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000892078273 1025637213 /nfs/dbraw/zinc/63/72/13/1025637213.db2.gz ISRMBXSTZSDZCH-UHFFFAOYSA-N 1 0 333.435 4.023 20 30 EIEDRO N#Cc1ccc(NC2CC[NH+](C3CCCC3)CC2)c(Br)c1 ZINC000301862757 1025690589 /nfs/dbraw/zinc/69/05/89/1025690589.db2.gz LOKYGJQGFURGBS-UHFFFAOYSA-N 1 0 348.288 4.140 20 30 EIEDRO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)CC(C)(C)CCC#N ZINC000506775442 1025706748 /nfs/dbraw/zinc/70/67/48/1025706748.db2.gz JIGIQJZZNNCDKT-UHFFFAOYSA-N 1 0 342.270 4.194 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512014827 1025717930 /nfs/dbraw/zinc/71/79/30/1025717930.db2.gz MWSIOOJLDLYCFO-LBPRGKRZSA-N 1 0 343.334 4.120 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719658 1025803017 /nfs/dbraw/zinc/80/30/17/1025803017.db2.gz ICIYTZZVTHWMDJ-HLIPFELVSA-N 1 0 345.918 4.491 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)ccc1C#N ZINC000569629658 1025806396 /nfs/dbraw/zinc/80/63/96/1025806396.db2.gz UFXVPSSVVYCUNR-CYBMUJFWSA-N 1 0 346.377 4.328 20 30 EIEDRO Cc1cc(C(F)(F)F)c(C#N)c(SCC[C@@H]2CCCC[N@H+]2C)n1 ZINC000585731396 1025807816 /nfs/dbraw/zinc/80/78/16/1025807816.db2.gz FGHHHQWEFAAGBO-LBPRGKRZSA-N 1 0 343.418 4.247 20 30 EIEDRO CC(C)[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(C(C)(C)C)cc1 ZINC000585764896 1025826689 /nfs/dbraw/zinc/82/66/89/1025826689.db2.gz XXWZLFRYUIWRND-HXUWFJFHSA-N 1 0 327.516 4.259 20 30 EIEDRO CC(C)(C#N)CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000536471159 1025851522 /nfs/dbraw/zinc/85/15/22/1025851522.db2.gz HVHSWBLUBUXUAI-UHFFFAOYSA-N 1 0 347.506 4.333 20 30 EIEDRO Cc1cc(-c2noc([C@@H]3CCC[NH2+][C@@H]3c3ccccc3)n2)ccc1C#N ZINC001211849632 1025896379 /nfs/dbraw/zinc/89/63/79/1025896379.db2.gz UAFHFZBPGKKYSN-RTBURBONSA-N 1 0 344.418 4.125 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000550063845 1025962641 /nfs/dbraw/zinc/96/26/41/1025962641.db2.gz SXCZZUKWEJNTDY-UHFFFAOYSA-N 1 0 328.500 4.137 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000431338511 1026022028 /nfs/dbraw/zinc/02/20/28/1026022028.db2.gz TZCHLMQGBISTHM-OAQYLSRUSA-N 1 0 340.511 4.019 20 30 EIEDRO N#CCSCCC[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000511063446 1026063016 /nfs/dbraw/zinc/06/30/16/1026063016.db2.gz HPDPSWXLINRUAK-UHFFFAOYSA-N 1 0 326.868 4.338 20 30 EIEDRO C=CC1CC[NH+](Cc2nnc(-c3ccc(OCCCC)cc3)o2)CC1 ZINC000111258509 1026118637 /nfs/dbraw/zinc/11/86/37/1026118637.db2.gz YABDYYOTJNRZOE-UHFFFAOYSA-N 1 0 341.455 4.314 20 30 EIEDRO CC(C)([NH2+]CCOc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000551358272 1026162464 /nfs/dbraw/zinc/16/24/64/1026162464.db2.gz BSQLZFAZTOZWID-UHFFFAOYSA-N 1 0 348.368 4.481 20 30 EIEDRO C=CCC(CC=C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000467820295 1026187339 /nfs/dbraw/zinc/18/73/39/1026187339.db2.gz XJQUPHQWSZDTTM-SFHVURJKSA-N 1 0 340.511 4.446 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@@H](c3ccc(F)cc3)C3CCCC3)n2c1 ZINC000551529958 1026207630 /nfs/dbraw/zinc/20/76/30/1026207630.db2.gz MANGPEFRHYUNNK-OAQYLSRUSA-N 1 0 348.425 4.366 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000120697610 1026213728 /nfs/dbraw/zinc/21/37/28/1026213728.db2.gz LCIMCRXLUYNGPN-NFBKMPQASA-N 1 0 349.474 4.346 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(OC(F)(F)F)c1 ZINC000090117699 1026242737 /nfs/dbraw/zinc/24/27/37/1026242737.db2.gz OOAUIEOPYUMFFB-NSHDSACASA-N 1 0 338.304 4.447 20 30 EIEDRO C=CCCCCC[N@H+]1CCC[C@@]2(CCCN(C(=O)NC(C)C)C2)C1 ZINC001279273488 1026255403 /nfs/dbraw/zinc/25/54/03/1026255403.db2.gz UMQZXCXAEAIBHT-HXUWFJFHSA-N 1 0 335.536 4.029 20 30 EIEDRO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000150876514 1026320143 /nfs/dbraw/zinc/32/01/43/1026320143.db2.gz IKHIFRLRUVHFPI-UHFFFAOYSA-N 1 0 328.378 4.322 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)nc1 ZINC000934350637 1026339326 /nfs/dbraw/zinc/33/93/26/1026339326.db2.gz WOAFGBRMSAIIHQ-FQEVSTJZSA-N 1 0 335.451 4.228 20 30 EIEDRO COCc1csc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000657385394 1026406871 /nfs/dbraw/zinc/40/68/71/1026406871.db2.gz VMUMELJQWDBSOH-UHFFFAOYSA-N 1 0 339.382 4.055 20 30 EIEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000512198492 1026416702 /nfs/dbraw/zinc/41/67/02/1026416702.db2.gz SYDIRWPCKZZTJS-GCJKJVERSA-N 1 0 345.490 4.284 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1Cl ZINC000608064166 1026426250 /nfs/dbraw/zinc/42/62/50/1026426250.db2.gz XQEAPKQRKBCNBC-OLMNPRSZSA-N 1 0 335.875 4.198 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](CCSc3ccccc3)CC2)c1 ZINC000344615642 1026496492 /nfs/dbraw/zinc/49/64/92/1026496492.db2.gz ZNPWJVBWQUIEPY-UHFFFAOYSA-N 1 0 338.476 4.194 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)C2CCCCC2)ccc1Cl ZINC000096994062 1026623752 /nfs/dbraw/zinc/62/37/52/1026623752.db2.gz TWLFDQXEZMZGLE-UHFFFAOYSA-N 1 0 347.890 4.160 20 30 EIEDRO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1F ZINC000512313367 1026684203 /nfs/dbraw/zinc/68/42/03/1026684203.db2.gz IPYIMLBUPBYWHI-YQQAZPJKSA-N 1 0 329.463 4.001 20 30 EIEDRO CN(Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1OC(F)F ZINC000507207052 1026693933 /nfs/dbraw/zinc/69/39/33/1026693933.db2.gz BCPUHKIAZPNELK-UHFFFAOYSA-N 1 0 336.769 4.445 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000277655471 1026728165 /nfs/dbraw/zinc/72/81/65/1026728165.db2.gz IORDIUHESASCAA-RBUKOAKNSA-N 1 0 332.463 4.434 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)ccc1OC ZINC000237185255 1026776936 /nfs/dbraw/zinc/77/69/36/1026776936.db2.gz ZSRKTQRHHLVCRR-GHTZIAJQSA-N 1 0 347.499 4.191 20 30 EIEDRO C=CCC[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000427230408 1026785953 /nfs/dbraw/zinc/78/59/53/1026785953.db2.gz FGQWXLKJEKDFPL-PMACEKPBSA-N 1 0 328.500 4.069 20 30 EIEDRO C=CCC[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000427230411 1026786224 /nfs/dbraw/zinc/78/62/24/1026786224.db2.gz FGQWXLKJEKDFPL-WOJBJXKFSA-N 1 0 328.500 4.069 20 30 EIEDRO N#Cc1ccc(C(F)(F)F)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000127868929 1026802645 /nfs/dbraw/zinc/80/26/45/1026802645.db2.gz HICJOZGVGQHLQP-PBHICJAKSA-N 1 0 349.400 4.030 20 30 EIEDRO C[N@H+](CCc1ccc(Br)cc1)Cc1ccc(C#N)c(F)c1 ZINC001307461831 1026819088 /nfs/dbraw/zinc/81/90/88/1026819088.db2.gz GYODWMWFDZWBAJ-UHFFFAOYSA-N 1 0 347.231 4.134 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCc2ccc(O)cc2)CC1 ZINC000507601009 1026849402 /nfs/dbraw/zinc/84/94/02/1026849402.db2.gz NTCSLKTVOUNCAW-UHFFFAOYSA-N 1 0 334.463 4.319 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507611098 1026854432 /nfs/dbraw/zinc/85/44/32/1026854432.db2.gz NMYLKCJGBYXNRT-ROUUACIJSA-N 1 0 342.462 4.124 20 30 EIEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCC(C)CC1 ZINC000507629990 1026858853 /nfs/dbraw/zinc/85/88/53/1026858853.db2.gz MYUSDZLOZPNCLZ-JSRJAPPDSA-N 1 0 339.527 4.101 20 30 EIEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCCC[C@H]1C ZINC000507636268 1026860156 /nfs/dbraw/zinc/86/01/56/1026860156.db2.gz MTOBMZGFXFNKPA-ONZKCSKKSA-N 1 0 339.527 4.243 20 30 EIEDRO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507635262 1026860254 /nfs/dbraw/zinc/86/02/54/1026860254.db2.gz IZWFNIYEHRCDQO-RVEPMOMFSA-N 1 0 339.527 4.243 20 30 EIEDRO CC1(C)[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000507649516 1026861836 /nfs/dbraw/zinc/86/18/36/1026861836.db2.gz LXJPXCPKRXJGQL-HHXSYIMZSA-N 1 0 338.495 4.184 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000507658693 1026867869 /nfs/dbraw/zinc/86/78/69/1026867869.db2.gz IDJOVGKIHVTITG-UHFFFAOYSA-N 1 0 326.390 4.459 20 30 EIEDRO CC[N@H+](CC(=O)N[C@@H](C)CCCC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000507684802 1026873904 /nfs/dbraw/zinc/87/39/04/1026873904.db2.gz AIYFOHQQFTZDSM-ROUUACIJSA-N 1 0 343.515 4.272 20 30 EIEDRO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1OC ZINC000507724139 1026886033 /nfs/dbraw/zinc/88/60/33/1026886033.db2.gz JJKNMHRIGKYYIC-UHFFFAOYSA-N 1 0 338.451 4.234 20 30 EIEDRO Cc1ccc(C2(C[NH2+]Cc3nc(C#N)cs3)CCCC2)c(C)c1 ZINC000550308288 1026926820 /nfs/dbraw/zinc/92/68/20/1026926820.db2.gz TWONPSLMCNZJMD-UHFFFAOYSA-N 1 0 325.481 4.233 20 30 EIEDRO C=CCCCC[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000519624893 1026933203 /nfs/dbraw/zinc/93/32/03/1026933203.db2.gz JPQSJWJVZCYUDQ-UHFFFAOYSA-N 1 0 341.455 4.281 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000277787325 1026940099 /nfs/dbraw/zinc/94/00/99/1026940099.db2.gz SGAKZXGLOPRWNL-UHFFFAOYSA-N 1 0 325.456 4.122 20 30 EIEDRO N#CCC1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000519739080 1026972289 /nfs/dbraw/zinc/97/22/89/1026972289.db2.gz IXCAUBHLBBVTHF-UHFFFAOYSA-N 1 0 348.372 4.221 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C[NH2+]C)CC1 ZINC000415571636 1026991501 /nfs/dbraw/zinc/99/15/01/1026991501.db2.gz AIAHDIRMAHGFDN-UHFFFAOYSA-N 1 0 329.488 4.002 20 30 EIEDRO N#CCSCCC[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000074981874 1027030268 /nfs/dbraw/zinc/03/02/68/1027030268.db2.gz XRSRTAMZFBYPTP-ZDUSSCGKSA-N 1 0 326.868 4.133 20 30 EIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075586168 1027052462 /nfs/dbraw/zinc/05/24/62/1027052462.db2.gz OBYHEPXCOBKAAX-IBGZPJMESA-N 1 0 344.418 4.254 20 30 EIEDRO CC[N@H+](Cc1cccc(Br)c1)Cc1cccc(C#N)c1 ZINC000519918033 1027053550 /nfs/dbraw/zinc/05/35/50/1027053550.db2.gz XGLHNBBJZZPGSL-UHFFFAOYSA-N 1 0 329.241 4.343 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[NH+]3CCC4(CCCCC4)CC3)o2)c1 ZINC000075684301 1027056170 /nfs/dbraw/zinc/05/61/70/1027056170.db2.gz FKJQGZQQXFLFRF-UHFFFAOYSA-N 1 0 336.439 4.155 20 30 EIEDRO C=CCC[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000657583218 1027178392 /nfs/dbraw/zinc/17/83/92/1027178392.db2.gz GXTRIEHYFRPHPT-SNVBAGLBSA-N 1 0 334.769 4.242 20 30 EIEDRO N#Cc1cccc(-c2noc([C@H]3CCC[C@@H](c4ccccc4)N3)n2)c1 ZINC001211886043 1027223464 /nfs/dbraw/zinc/22/34/64/1027223464.db2.gz WJVZWQRMNFRPGE-ZWKOTPCHSA-N 1 0 330.391 4.164 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000520183029 1027295813 /nfs/dbraw/zinc/29/58/13/1027295813.db2.gz CEOPOKWFJYCTFW-UHFFFAOYSA-N 1 0 329.241 4.343 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(OCC(C)C)c(OCC)c2)CCOCC1 ZINC000657633207 1027347039 /nfs/dbraw/zinc/34/70/39/1027347039.db2.gz RSWBOVHAQMGMQK-UHFFFAOYSA-N 1 0 347.499 4.335 20 30 EIEDRO CCOc1ccc(-c2nc(C[NH+]3CCC(CCC#N)CC3)co2)cc1 ZINC000520224548 1027351759 /nfs/dbraw/zinc/35/17/59/1027351759.db2.gz LCMFBXWHJJWXCQ-UHFFFAOYSA-N 1 0 339.439 4.256 20 30 EIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3cccc(C#N)n3)cc2)C1 ZINC000609891486 1027494968 /nfs/dbraw/zinc/49/49/68/1027494968.db2.gz RQRWYHFRLRBWAA-IAGOWNOFSA-N 1 0 334.467 4.043 20 30 EIEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000441377789 1027504003 /nfs/dbraw/zinc/50/40/03/1027504003.db2.gz GORGSQZAOZPTLZ-UHFFFAOYSA-N 1 0 328.456 4.061 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](COC)c2cccc(Cl)c2)c1 ZINC000520417799 1027529895 /nfs/dbraw/zinc/52/98/95/1027529895.db2.gz HGJWYXLXCCWUSH-LJQANCHMSA-N 1 0 331.843 4.382 20 30 EIEDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)cc1OC ZINC000329149762 1027609508 /nfs/dbraw/zinc/60/95/08/1027609508.db2.gz QXHSCDOOVBIOTM-HUUCEWRRSA-N 1 0 346.471 4.192 20 30 EIEDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)cc1OC ZINC000329149760 1027609807 /nfs/dbraw/zinc/60/98/07/1027609807.db2.gz QXHSCDOOVBIOTM-GJZGRUSLSA-N 1 0 346.471 4.192 20 30 EIEDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c(OC)c1 ZINC000329147749 1027610876 /nfs/dbraw/zinc/61/08/76/1027610876.db2.gz PDYAQLLYHIWLGQ-HUUCEWRRSA-N 1 0 346.471 4.192 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000329195793 1027641644 /nfs/dbraw/zinc/64/16/44/1027641644.db2.gz UKPGFCAUEIRTEK-ZJSJBZJDSA-N 1 0 339.483 4.183 20 30 EIEDRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC2CCC2)C1)C1CCCC1 ZINC000329371609 1027755451 /nfs/dbraw/zinc/75/54/51/1027755451.db2.gz JAMUEWGKJFBQQX-INIZCTEOSA-N 1 0 330.476 4.167 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000582957000 1027765449 /nfs/dbraw/zinc/76/54/49/1027765449.db2.gz KZMJJVFKTHRJIJ-JOCHJYFZSA-N 1 0 333.479 4.177 20 30 EIEDRO C=CCCC[C@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000091510373 1027770359 /nfs/dbraw/zinc/77/03/59/1027770359.db2.gz SNPNPEBYUHSSGY-HNNXBMFYSA-N 1 0 326.444 4.056 20 30 EIEDRO C=C(C)[C@H]([NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C)c1ccc(F)c(F)c1 ZINC000474932083 1027799459 /nfs/dbraw/zinc/79/94/59/1027799459.db2.gz SOFZBHWOXCLLHJ-BZDUDZIASA-N 1 0 337.410 4.149 20 30 EIEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC(=O)NCCC2=CCCCC2)C1 ZINC000328760339 1027804811 /nfs/dbraw/zinc/80/48/11/1027804811.db2.gz XDJODHAXBZHIDA-GTAWCEEGSA-N 1 0 348.531 4.095 20 30 EIEDRO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000328766034 1027805618 /nfs/dbraw/zinc/80/56/18/1027805618.db2.gz HAISQNJETHUVLN-OAHLLOKOSA-N 1 0 343.471 4.315 20 30 EIEDRO CC(C)C[NH+]1CCC(NC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328728633 1027809021 /nfs/dbraw/zinc/80/90/21/1027809021.db2.gz DYDUWQFQKDZBNB-UHFFFAOYSA-N 1 0 333.476 4.147 20 30 EIEDRO CC(=O)c1c(C)[nH]c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1C(C)C ZINC000330392322 1027851125 /nfs/dbraw/zinc/85/11/25/1027851125.db2.gz IYFLIHNRPRTAGC-UHFFFAOYSA-N 1 0 347.503 4.074 20 30 EIEDRO C=C(C)C[C@H](C)c1nc([C@@H]2CN(Cc3ccccc3)C[C@@H](C)O2)no1 ZINC000665011216 1027899223 /nfs/dbraw/zinc/89/92/23/1027899223.db2.gz PAMJCVRBVYDGNW-JZXOWHBKSA-N 1 0 341.455 4.101 20 30 EIEDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444686007 1027944674 /nfs/dbraw/zinc/94/46/74/1027944674.db2.gz QPNVQOGLEXWLET-VXKWHMMOSA-N 1 0 348.490 4.027 20 30 EIEDRO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCCC[C@@H]1C ZINC000444668379 1027950705 /nfs/dbraw/zinc/95/07/05/1027950705.db2.gz CDSZCWMINDDFHB-SUMWQHHRSA-N 1 0 333.863 4.051 20 30 EIEDRO C=CC[C@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)c1ccccc1 ZINC000188563726 1027983860 /nfs/dbraw/zinc/98/38/60/1027983860.db2.gz WZGUQYHQMHRNAZ-NRFANRHFSA-N 1 0 336.479 4.114 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC000523440881 1028117429 /nfs/dbraw/zinc/11/74/29/1028117429.db2.gz ZOYDLSUTOFJLKR-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO C=CCC[C@@H](C(=O)NC1CC[NH+](CCCC)CC1)c1ccccc1 ZINC000189385003 1028135068 /nfs/dbraw/zinc/13/50/68/1028135068.db2.gz HBEHMKPDBRQITK-HXUWFJFHSA-N 1 0 328.500 4.117 20 30 EIEDRO O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000329846028 1028138649 /nfs/dbraw/zinc/13/86/49/1028138649.db2.gz QOLIONIBJUIXBG-LSDHHAIUSA-N 1 0 349.500 4.131 20 30 EIEDRO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c2n[nH]cc21 ZINC000330148854 1028214399 /nfs/dbraw/zinc/21/43/99/1028214399.db2.gz JSFOZYQUEPQSBT-AWEZNQCLSA-N 1 0 326.444 4.114 20 30 EIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440623478 1028216349 /nfs/dbraw/zinc/21/63/49/1028216349.db2.gz LBTHPRINZGXJDE-LJQANCHMSA-N 1 0 338.451 4.452 20 30 EIEDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440614789 1028217272 /nfs/dbraw/zinc/21/72/72/1028217272.db2.gz GNXVMZWTIFACAD-MRXNPFEDSA-N 1 0 338.451 4.342 20 30 EIEDRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)c(Cl)c1 ZINC000330253437 1028236929 /nfs/dbraw/zinc/23/69/29/1028236929.db2.gz IWJFXQAITCMOHF-NUTKFTJISA-N 1 0 336.863 4.090 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)C(C)C)c1 ZINC000657742419 1028255222 /nfs/dbraw/zinc/25/52/22/1028255222.db2.gz RCLOJAMXBXSXKN-LEWJYISDSA-N 1 0 325.452 4.099 20 30 EIEDRO COc1cccc2sc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)nc21 ZINC000330290670 1028270470 /nfs/dbraw/zinc/27/04/70/1028270470.db2.gz GAOTTYSDDGPIDA-GFCCVEGCSA-N 1 0 333.457 4.157 20 30 EIEDRO C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC12CCC2 ZINC000354925624 1028315584 /nfs/dbraw/zinc/31/55/84/1028315584.db2.gz ZGUSURHVZQWJCO-GOSISDBHSA-N 1 0 348.494 4.476 20 30 EIEDRO CC(C)Oc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cn1 ZINC000330308918 1028362684 /nfs/dbraw/zinc/36/26/84/1028362684.db2.gz TVTGRJLWRIABBQ-GOSISDBHSA-N 1 0 345.487 4.122 20 30 EIEDRO CC(C)Oc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cn1 ZINC000330308919 1028364440 /nfs/dbraw/zinc/36/44/40/1028364440.db2.gz TVTGRJLWRIABBQ-SFHVURJKSA-N 1 0 345.487 4.122 20 30 EIEDRO CCN(CCC#N)C(=O)CN(Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000346325982 1028370643 /nfs/dbraw/zinc/37/06/43/1028370643.db2.gz BSXKIJRLZFTTKO-LJQANCHMSA-N 1 0 349.478 4.012 20 30 EIEDRO C=CC[C@@H]1N(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CCCC1(C)C ZINC000445266401 1028432299 /nfs/dbraw/zinc/43/22/99/1028432299.db2.gz PHDBVKXYXWCKNQ-KRWDZBQOSA-N 1 0 335.536 4.026 20 30 EIEDRO CC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cc(F)ccc1F ZINC000346551618 1028512465 /nfs/dbraw/zinc/51/24/65/1028512465.db2.gz KDTOZPPDJYSSJB-LBPRGKRZSA-N 1 0 347.274 4.220 20 30 EIEDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCCC3(C#N)CCOCC3)C2)cc1 ZINC000281432635 1028605714 /nfs/dbraw/zinc/60/57/14/1028605714.db2.gz SORAQYZKNHCADL-ICSRJNTNSA-N 1 0 326.484 4.273 20 30 EIEDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCC3(C#N)CCOCC3)C2)cc1 ZINC000281432636 1028606445 /nfs/dbraw/zinc/60/64/45/1028606445.db2.gz SORAQYZKNHCADL-QUCCMNQESA-N 1 0 326.484 4.273 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000281442424 1028619662 /nfs/dbraw/zinc/61/96/62/1028619662.db2.gz SHACFBOBFWTFSX-SFHVURJKSA-N 1 0 326.440 4.114 20 30 EIEDRO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)c1nc2ccccc2[nH]1 ZINC000330350266 1028641740 /nfs/dbraw/zinc/64/17/40/1028641740.db2.gz KWEWSUDERGENPU-KSSFIOAISA-N 1 0 340.471 4.378 20 30 EIEDRO Cc1cc(C[C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)n(-c2ccccc2)n1 ZINC000443982503 1028692437 /nfs/dbraw/zinc/69/24/37/1028692437.db2.gz CSPZBALQHIIOSM-KRWDZBQOSA-N 1 0 344.462 4.082 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000278253692 1028730351 /nfs/dbraw/zinc/73/03/51/1028730351.db2.gz MWKKTQASQCZSFO-INIZCTEOSA-N 1 0 349.356 4.135 20 30 EIEDRO COc1cc(CNc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1C#N ZINC000440810282 1028745312 /nfs/dbraw/zinc/74/53/12/1028745312.db2.gz VJRRVZBIRKEDQD-UHFFFAOYSA-N 1 0 349.478 4.411 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000278264450 1028760788 /nfs/dbraw/zinc/76/07/88/1028760788.db2.gz OGKHRKFHFWOTLV-NRFANRHFSA-N 1 0 347.462 4.316 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)ccc1C#N ZINC000281663144 1028828049 /nfs/dbraw/zinc/82/80/49/1028828049.db2.gz KYSBBVPRRCBUIK-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000346956232 1028829681 /nfs/dbraw/zinc/82/96/81/1028829681.db2.gz DXQJMMLZCCNRCO-GOSISDBHSA-N 1 0 337.423 4.097 20 30 EIEDRO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000728569733 1028866773 /nfs/dbraw/zinc/86/67/73/1028866773.db2.gz KUCIVRLGIFPYSG-GHTZIAJQSA-N 1 0 338.426 4.297 20 30 EIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1C#N ZINC000439694821 1028965685 /nfs/dbraw/zinc/96/56/85/1028965685.db2.gz XAJIYGDEXVULGD-SFHVURJKSA-N 1 0 337.442 4.046 20 30 EIEDRO C=CCC[C@@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1)c1ccccc1 ZINC000246165232 1029000724 /nfs/dbraw/zinc/00/07/24/1029000724.db2.gz GUNCACLFVRUBKI-AZUAARDMSA-N 1 0 343.515 4.067 20 30 EIEDRO C=CCc1cc(C[NH2+]CC(C)(C)c2cccc(F)c2)cc(OC)c1O ZINC000522841014 1029001104 /nfs/dbraw/zinc/00/11/04/1029001104.db2.gz HKHWSOXHZUNNMI-UHFFFAOYSA-N 1 0 343.442 4.336 20 30 EIEDRO N#CC1(C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000583736789 1029103056 /nfs/dbraw/zinc/10/30/56/1029103056.db2.gz PLEBJWARXHXCAH-UHFFFAOYSA-N 1 0 326.390 4.012 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000444254833 1029117215 /nfs/dbraw/zinc/11/72/15/1029117215.db2.gz VKJHBTBTZWMSKK-GOSISDBHSA-N 1 0 337.423 4.097 20 30 EIEDRO CC[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000101544934 1029209945 /nfs/dbraw/zinc/20/99/45/1029209945.db2.gz DDDHLVUHBXBAMS-KRWDZBQOSA-N 1 0 330.435 4.327 20 30 EIEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc3ccccc3c2)CC1 ZINC000524811920 1029237500 /nfs/dbraw/zinc/23/75/00/1029237500.db2.gz TULJCAQFFFBLTF-UHFFFAOYSA-N 1 0 341.458 4.424 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000186209316 1029369506 /nfs/dbraw/zinc/36/95/06/1029369506.db2.gz JROQYZKIZGDHIT-CQSZACIVSA-N 1 0 342.389 4.441 20 30 EIEDRO Cc1ccnc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c1C#N ZINC000343502349 1029387804 /nfs/dbraw/zinc/38/78/04/1029387804.db2.gz CSAHITKNUVEKAL-KRWDZBQOSA-N 1 0 334.467 4.248 20 30 EIEDRO Cc1cccnc1C(C)(C)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000583963985 1029438315 /nfs/dbraw/zinc/43/83/15/1029438315.db2.gz MFDMFCOETFTANB-UHFFFAOYSA-N 1 0 347.384 4.348 20 30 EIEDRO CC[NH+](CC)CCC[C@@H](C)Nc1cccc(Br)c1C#N ZINC000168454644 1029454787 /nfs/dbraw/zinc/45/47/87/1029454787.db2.gz FPFAOCOKTYTLNW-CYBMUJFWSA-N 1 0 338.293 4.243 20 30 EIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C12CCCCC2 ZINC000525127884 1029466062 /nfs/dbraw/zinc/46/60/62/1029466062.db2.gz QXBXILBZSWDVNV-OALUTQOASA-N 1 0 330.447 4.257 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000475263679 1029480055 /nfs/dbraw/zinc/48/00/55/1029480055.db2.gz CROKFNZTFQKVBQ-TZMCWYRMSA-N 1 0 329.362 4.033 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000475263677 1029480319 /nfs/dbraw/zinc/48/03/19/1029480319.db2.gz CROKFNZTFQKVBQ-OCCSQVGLSA-N 1 0 329.362 4.033 20 30 EIEDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)cnn1-c1ccc(F)cc1 ZINC000186321646 1029557140 /nfs/dbraw/zinc/55/71/40/1029557140.db2.gz LEVYCLMFTJFYAG-HNNXBMFYSA-N 1 0 348.425 4.351 20 30 EIEDRO CCC(CC)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000446754649 1029559700 /nfs/dbraw/zinc/55/97/00/1029559700.db2.gz XUOFIZCWAWSAOZ-AEFFLSMTSA-N 1 0 344.499 4.434 20 30 EIEDRO C=CCC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000525329091 1029573814 /nfs/dbraw/zinc/57/38/14/1029573814.db2.gz YYPHOPSOZQCIIL-AWEZNQCLSA-N 1 0 327.209 4.004 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000897267224 1029636431 /nfs/dbraw/zinc/63/64/31/1029636431.db2.gz CGWDVBNRHBHFOC-FQEVSTJZSA-N 1 0 342.483 4.008 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000278652018 1029648442 /nfs/dbraw/zinc/64/84/42/1029648442.db2.gz ICQOMYCJAIWQBL-FKHUDQKESA-N 1 0 326.465 4.098 20 30 EIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000193009192 1029657499 /nfs/dbraw/zinc/65/74/99/1029657499.db2.gz KSAZOUFRYCEAAT-ZIAGYGMSSA-N 1 0 328.387 4.148 20 30 EIEDRO C[N@H+](CCCOCc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000384286677 1029769770 /nfs/dbraw/zinc/76/97/70/1029769770.db2.gz OWSHCDVHUOFMIZ-UHFFFAOYSA-N 1 0 328.843 4.250 20 30 EIEDRO C=C(C)[C@H](NCC(=O)Nc1cccc(C)c1C)c1ccc(F)c(F)c1 ZINC000187787172 1029794960 /nfs/dbraw/zinc/79/49/60/1029794960.db2.gz WMFBRZUTDFAIBP-FQEVSTJZSA-N 1 0 344.405 4.427 20 30 EIEDRO Cc1ccccc1[C@@H]([NH2+]C1CCN(CC#N)CC1)C1CCC(C)CC1 ZINC000611863787 1029872244 /nfs/dbraw/zinc/87/22/44/1029872244.db2.gz GQYAKHQDVVGGIP-FQVRHNBASA-N 1 0 339.527 4.440 20 30 EIEDRO Cc1ccccc1[C@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000611864422 1029876254 /nfs/dbraw/zinc/87/62/54/1029876254.db2.gz WGRVOYAMHTZXFG-SFGWALBWSA-N 1 0 339.527 4.440 20 30 EIEDRO N#CCCC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000343795247 1029880870 /nfs/dbraw/zinc/88/08/70/1029880870.db2.gz MKQNVNUZUKJLDL-OAHLLOKOSA-N 1 0 332.245 4.201 20 30 EIEDRO Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)C2CCCCC2)c(C#N)c1C ZINC000447400496 1030060787 /nfs/dbraw/zinc/06/07/87/1030060787.db2.gz PDFJFPMMFLVSRJ-ZDUSSCGKSA-N 1 0 333.501 4.076 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000447530249 1030125365 /nfs/dbraw/zinc/12/53/65/1030125365.db2.gz NVVVYXBZYVSNCG-HNAYVOBHSA-N 1 0 338.451 4.247 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000447545282 1030150329 /nfs/dbraw/zinc/15/03/29/1030150329.db2.gz QRRNWJKQZDZODO-UWJYYQICSA-N 1 0 337.442 4.265 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000657880414 1030159650 /nfs/dbraw/zinc/15/96/50/1030159650.db2.gz XJZBULWIAXZPDD-WOJBJXKFSA-N 1 0 345.531 4.228 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](C)COc1ccccc1OC)c1ccc(C#N)cc1 ZINC000447585497 1030185295 /nfs/dbraw/zinc/18/52/95/1030185295.db2.gz JKKCVKLQKFTZJQ-APWZRJJASA-N 1 0 338.451 4.323 20 30 EIEDRO CC[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000447589641 1030192022 /nfs/dbraw/zinc/19/20/22/1030192022.db2.gz YSZHWALTQRNUNV-MRXNPFEDSA-N 1 0 325.481 4.177 20 30 EIEDRO [NH2+]=C(NCC1CC(F)(F)C1)Nc1cccc(Oc2ccccc2)c1 ZINC000262696073 1030213071 /nfs/dbraw/zinc/21/30/71/1030213071.db2.gz HYMBEVGJKCRKFO-UHFFFAOYSA-N 1 0 331.366 4.251 20 30 EIEDRO N#CCCC[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000187840828 1030374332 /nfs/dbraw/zinc/37/43/32/1030374332.db2.gz RUPKXIXNLKAKGD-UHFFFAOYSA-N 1 0 326.362 4.100 20 30 EIEDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccc1C(F)(F)F ZINC000527049150 1030439090 /nfs/dbraw/zinc/43/90/90/1030439090.db2.gz UPJHPEBZSBBUAV-SECBINFHSA-N 1 0 347.274 4.273 20 30 EIEDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000448021100 1030487589 /nfs/dbraw/zinc/48/75/89/1030487589.db2.gz GPNFDQGBXVYPCH-FUHYEJFZSA-N 1 0 339.527 4.101 20 30 EIEDRO CN1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000448021101 1030489479 /nfs/dbraw/zinc/48/94/79/1030489479.db2.gz GPNFDQGBXVYPCH-SNCIUUNGSA-N 1 0 339.527 4.101 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000189897861 1030511537 /nfs/dbraw/zinc/51/15/37/1030511537.db2.gz IISSRSYXMKCQTF-TZIWHRDSSA-N 1 0 340.511 4.071 20 30 EIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451457478 1030513251 /nfs/dbraw/zinc/51/32/51/1030513251.db2.gz DHNUEBPAQJBFDK-FQEVSTJZSA-N 1 0 346.434 4.041 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000657915709 1030555476 /nfs/dbraw/zinc/55/54/76/1030555476.db2.gz NJCMJHFXELPPNE-YLJYHZDGSA-N 1 0 326.484 4.034 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000191661376 1030635264 /nfs/dbraw/zinc/63/52/64/1030635264.db2.gz HOJALPBVOLALRR-HXUWFJFHSA-N 1 0 336.435 4.242 20 30 EIEDRO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000451981100 1030807837 /nfs/dbraw/zinc/80/78/37/1030807837.db2.gz DPMGEUWZOSVLSZ-IBGZPJMESA-N 1 0 330.447 4.372 20 30 EIEDRO C=C(Br)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000309846900 1030821101 /nfs/dbraw/zinc/82/11/01/1030821101.db2.gz YNZCGRZWGLLBJT-UHFFFAOYSA-N 1 0 332.241 4.264 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3sccc3Cl)CCOCC2)cc1 ZINC000527809541 1030854521 /nfs/dbraw/zinc/85/45/21/1030854521.db2.gz KWYFMZWQUUIBTI-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc4c(c3)CCCC4)CCOCC2)cc1 ZINC000527810705 1030854946 /nfs/dbraw/zinc/85/49/46/1030854946.db2.gz NPKRYQJOUBTSEP-UHFFFAOYSA-N 1 0 346.474 4.233 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Cl)s3)CCOCC2)cc1 ZINC000527812005 1030856697 /nfs/dbraw/zinc/85/66/97/1030856697.db2.gz OTOWTMCDVWGJNB-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO C[C@]1(C#N)CCC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000612163212 1031073908 /nfs/dbraw/zinc/07/39/08/1031073908.db2.gz PLDBPUNQMDBLPM-QGZVFWFLSA-N 1 0 340.389 4.490 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC(Nc3nccc4ccccc43)CC2)c1 ZINC000528044424 1031076554 /nfs/dbraw/zinc/07/65/54/1031076554.db2.gz HRKNJSMKXSTQGA-UHFFFAOYSA-N 1 0 342.446 4.183 20 30 EIEDRO COc1ccc([C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000528044580 1031079331 /nfs/dbraw/zinc/07/93/31/1031079331.db2.gz XWNGNULLCIOZHH-UNMCSNQZSA-N 1 0 347.462 4.470 20 30 EIEDRO N#Cc1csc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000531356347 1031110566 /nfs/dbraw/zinc/11/05/66/1031110566.db2.gz SEFIIOWNPSEGNK-GOSISDBHSA-N 1 0 345.899 4.200 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@@H](C)C1CCCCC1 ZINC000531368209 1031148723 /nfs/dbraw/zinc/14/87/23/1031148723.db2.gz IIDQGEQCVRCZHA-OAGGEKHMSA-N 1 0 327.472 4.080 20 30 EIEDRO Cc1cc(C)c(NC(=O)CCCN(CC#N)C2CCCC2)c(C)c1 ZINC000137567126 1031168906 /nfs/dbraw/zinc/16/89/06/1031168906.db2.gz HHUIXSQWGNJNRC-UHFFFAOYSA-N 1 0 327.472 4.099 20 30 EIEDRO CN1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)[C@H]1c1cccc(Cl)c1 ZINC000364385003 1031293949 /nfs/dbraw/zinc/29/39/49/1031293949.db2.gz OHCFRAMCHVQHMZ-RDTXWAMCSA-N 1 0 345.899 4.056 20 30 EIEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000548910687 1031311721 /nfs/dbraw/zinc/31/17/21/1031311721.db2.gz PBWNIVPQXOSWLS-SFHVURJKSA-N 1 0 330.428 4.075 20 30 EIEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC2(CCCC2)O1 ZINC000548910686 1031312435 /nfs/dbraw/zinc/31/24/35/1031312435.db2.gz PBWNIVPQXOSWLS-GOSISDBHSA-N 1 0 330.428 4.075 20 30 EIEDRO C[C@H](CN1CCO[C@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039438 1031377659 /nfs/dbraw/zinc/37/76/59/1031377659.db2.gz CEHAVMZCZDDQLD-VLIAUNLRSA-N 1 0 342.389 4.013 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000531563140 1031380015 /nfs/dbraw/zinc/38/00/15/1031380015.db2.gz VRHIQUJYEIHBSG-BJLQDIEVSA-N 1 0 341.499 4.107 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000531563156 1031380346 /nfs/dbraw/zinc/38/03/46/1031380346.db2.gz VRHIQUJYEIHBSG-WSTZPKSXSA-N 1 0 341.499 4.107 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000897461116 1031390427 /nfs/dbraw/zinc/39/04/27/1031390427.db2.gz LLHSVAWDYKCWNE-HNNXBMFYSA-N 1 0 335.407 4.043 20 30 EIEDRO CC(C)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000449062782 1031392709 /nfs/dbraw/zinc/39/27/09/1031392709.db2.gz MTZSCZKKPIWYLO-NQKNOSNGSA-N 1 0 328.456 4.217 20 30 EIEDRO N#Cc1c(F)ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1Cl ZINC000364764069 1031397481 /nfs/dbraw/zinc/39/74/81/1031397481.db2.gz JYPKURSQIAQDBK-KXBFYZLASA-N 1 0 344.817 4.218 20 30 EIEDRO CC[NH+](CC)CCOc1ccccc1NC1CCC(C)(C#N)CC1 ZINC000449045453 1031399479 /nfs/dbraw/zinc/39/94/79/1031399479.db2.gz GGLDSEGJIKLYND-UHFFFAOYSA-N 1 0 329.488 4.292 20 30 EIEDRO COc1ccccc1-c1noc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)n1 ZINC000364790816 1031409740 /nfs/dbraw/zinc/40/97/40/1031409740.db2.gz NRPNOMPCMCIGIO-KBPBESRZSA-N 1 0 348.406 4.029 20 30 EIEDRO C[C@H]1C[NH+](Cc2cccc(NC3CCC(C)(C#N)CC3)c2)C[C@H](C)O1 ZINC000449056550 1031411049 /nfs/dbraw/zinc/41/10/49/1031411049.db2.gz QIFIXJVIEQQDNH-OFNGQUKOSA-N 1 0 341.499 4.180 20 30 EIEDRO CC1(C#N)CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000449068307 1031420743 /nfs/dbraw/zinc/42/07/43/1031420743.db2.gz RWEYRFNRAIIJRS-UHFFFAOYSA-N 1 0 345.918 4.366 20 30 EIEDRO C=CCC1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCC1 ZINC000449072890 1031426425 /nfs/dbraw/zinc/42/64/25/1031426425.db2.gz QOKPWUCSBZEPFX-INIZCTEOSA-N 1 0 332.513 4.138 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000449076060 1031429635 /nfs/dbraw/zinc/42/96/35/1031429635.db2.gz GNQWKWCIVVPMFA-MRXNPFEDSA-N 1 0 332.463 4.155 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)cnn1-c1ccc(F)cc1 ZINC000449099528 1031440379 /nfs/dbraw/zinc/44/03/79/1031440379.db2.gz NYSZPZRTRMMMLV-FNMUINPESA-N 1 0 340.446 4.443 20 30 EIEDRO C=CCSCC[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449131051 1031467782 /nfs/dbraw/zinc/46/77/82/1031467782.db2.gz JVJADUHBZAHCNQ-UHFFFAOYSA-N 1 0 326.437 4.097 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000449178593 1031496556 /nfs/dbraw/zinc/49/65/56/1031496556.db2.gz XQDNLSZJPZFRQO-XNVJVGRKSA-N 1 0 325.239 4.489 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000449178585 1031497852 /nfs/dbraw/zinc/49/78/52/1031497852.db2.gz XQDNLSZJPZFRQO-QCIACWGRSA-N 1 0 325.239 4.489 20 30 EIEDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)C2 ZINC000612419689 1031501423 /nfs/dbraw/zinc/50/14/23/1031501423.db2.gz HLUGKBYNWOIZEQ-UGKGYDQZSA-N 1 0 332.447 4.091 20 30 EIEDRO C[C@@H](Cc1ccccc1Br)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449182885 1031522805 /nfs/dbraw/zinc/52/28/05/1031522805.db2.gz DGAFAFXBSUIBNA-KTAKPFMOSA-N 1 0 335.289 4.442 20 30 EIEDRO CCOc1cccc(C[NH2+]CC(C)(C)CCC#N)c1OC(F)F ZINC000152543002 1031558932 /nfs/dbraw/zinc/55/89/32/1031558932.db2.gz BQLHMWRMTJFSFK-UHFFFAOYSA-N 1 0 326.387 4.106 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2nc3ccccc3n2C(F)F)CC1 ZINC000449227567 1031559224 /nfs/dbraw/zinc/55/92/24/1031559224.db2.gz VJCCBGAPETXJIY-UHFFFAOYSA-N 1 0 332.398 4.036 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000449253418 1031570227 /nfs/dbraw/zinc/57/02/27/1031570227.db2.gz TWLPQHAZKDCTOV-JDCHQWLXSA-N 1 0 336.838 4.371 20 30 EIEDRO COc1cc(Br)ccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449256697 1031572456 /nfs/dbraw/zinc/57/24/56/1031572456.db2.gz FMLPHFJPTXTZJR-UHFFFAOYSA-N 1 0 337.261 4.020 20 30 EIEDRO CC[C@H](CC#N)[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449241663 1031579094 /nfs/dbraw/zinc/57/90/94/1031579094.db2.gz BVONXDFWUZVBQL-YXMLORGKSA-N 1 0 325.225 4.116 20 30 EIEDRO CC1CCN([C@H](C[NH2+]Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000236662805 1031623645 /nfs/dbraw/zinc/62/36/45/1031623645.db2.gz YIZPBRXACDEWMK-LJQANCHMSA-N 1 0 339.508 4.183 20 30 EIEDRO CC1CCN([C@H](C[NH2+]Cc2cc(C#N)cs2)c2ccccc2)CC1 ZINC000236662708 1031625831 /nfs/dbraw/zinc/62/58/31/1031625831.db2.gz FYKXXSGKPCDOSD-HXUWFJFHSA-N 1 0 339.508 4.183 20 30 EIEDRO COc1cccc(OC(F)(F)F)c1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449318077 1031632027 /nfs/dbraw/zinc/63/20/27/1031632027.db2.gz CPEQZJJEAIFCKL-UHFFFAOYSA-N 1 0 342.361 4.156 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000449322565 1031634645 /nfs/dbraw/zinc/63/46/45/1031634645.db2.gz XVCKCFUJTGDDJZ-HUUCEWRRSA-N 1 0 334.426 4.044 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(-c2cncnc2)cc1 ZINC000365397669 1031651502 /nfs/dbraw/zinc/65/15/02/1031651502.db2.gz ZTSIJTZPHIZAKO-AWEZNQCLSA-N 1 0 332.382 4.005 20 30 EIEDRO CC[N@H+](CCCC(C)(C)C#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472441481 1031656425 /nfs/dbraw/zinc/65/64/25/1031656425.db2.gz YATGGJRRKJELMD-AZUAARDMSA-N 1 0 327.516 4.474 20 30 EIEDRO CC(C)(C)OC(=O)CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449358125 1031678784 /nfs/dbraw/zinc/67/87/84/1031678784.db2.gz DXJYGXIXGBFAJL-CEXWTWQISA-N 1 0 342.483 4.001 20 30 EIEDRO C=CCC[C@H](C)[NH2+]Cc1c(Br)cncc1Br ZINC000449392406 1031681854 /nfs/dbraw/zinc/68/18/54/1031681854.db2.gz IOVOWIUPCVBFLF-VIFPVBQESA-N 1 0 348.082 4.051 20 30 EIEDRO CC(C)([NH2+]CCOc1ccccc1C#N)c1nc2ccccc2s1 ZINC000528613374 1031694436 /nfs/dbraw/zinc/69/44/36/1031694436.db2.gz OPSXXQRIVXPJFF-UHFFFAOYSA-N 1 0 337.448 4.072 20 30 EIEDRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1cccc(C#N)c1 ZINC000531848490 1031703317 /nfs/dbraw/zinc/70/33/17/1031703317.db2.gz MDZVQEMDRPRQGU-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000449445686 1031739877 /nfs/dbraw/zinc/73/98/77/1031739877.db2.gz KXNMBCNQFAWXIH-IRXDYDNUSA-N 1 0 325.481 4.100 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000449478110 1031774204 /nfs/dbraw/zinc/77/42/04/1031774204.db2.gz JVFKGYBBPNTORC-AWEZNQCLSA-N 1 0 338.373 4.016 20 30 EIEDRO C[C@@H]([NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000453296452 1031814555 /nfs/dbraw/zinc/81/45/55/1031814555.db2.gz YSSUXCULQKNOAA-ACJLOTCBSA-N 1 0 348.368 4.351 20 30 EIEDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000453298949 1031817143 /nfs/dbraw/zinc/81/71/43/1031817143.db2.gz YTXATMYJCBCSSU-GJYPPUQNSA-N 1 0 342.487 4.293 20 30 EIEDRO COc1ncc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1Cl ZINC000453300586 1031818293 /nfs/dbraw/zinc/81/82/93/1031818293.db2.gz WIGUGVLYWWHOAI-GOSISDBHSA-N 1 0 341.842 4.173 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(-c3ccccn3)c2)cc1 ZINC000130245817 1031830132 /nfs/dbraw/zinc/83/01/32/1031830132.db2.gz PVPUPHRJWMWFQC-KRWDZBQOSA-N 1 0 343.430 4.329 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449548459 1031837764 /nfs/dbraw/zinc/83/77/64/1031837764.db2.gz NNNDUSOYVDDVCP-JRPNMDOOSA-N 1 0 337.236 4.247 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000449548231 1031837777 /nfs/dbraw/zinc/83/77/77/1031837777.db2.gz LTWQDKMQVUHWOQ-BNICSPFPSA-N 1 0 336.273 4.018 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc(F)c3Cl)CCOCC2)cc1 ZINC000528782228 1031852093 /nfs/dbraw/zinc/85/20/93/1031852093.db2.gz JMCPNNXFNRXLQK-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000453349996 1031878050 /nfs/dbraw/zinc/87/80/50/1031878050.db2.gz JTAQXSPXZLHYRU-HZPDHXFCSA-N 1 0 328.481 4.104 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000453355531 1031883732 /nfs/dbraw/zinc/88/37/32/1031883732.db2.gz LQGZCDHUQCJUMM-DFBGVHRSSA-N 1 0 331.403 4.335 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(F)c1 ZINC000531971011 1031910604 /nfs/dbraw/zinc/91/06/04/1031910604.db2.gz IFGRDZYXZAESIO-KBXCAEBGSA-N 1 0 341.405 4.156 20 30 EIEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000053279350 1032024760 /nfs/dbraw/zinc/02/47/60/1032024760.db2.gz FXCBXMVALCTSRX-KRWDZBQOSA-N 1 0 339.464 4.094 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c(F)c1 ZINC000453609431 1032043925 /nfs/dbraw/zinc/04/39/25/1032043925.db2.gz FTRKSNJJEWJYGC-HXUWFJFHSA-N 1 0 338.426 4.081 20 30 EIEDRO Cc1c2ccccc2oc1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000573671288 1033412805 /nfs/dbraw/zinc/41/28/05/1033412805.db2.gz XOMCZAYOXQZMQU-UHFFFAOYSA-N 1 0 345.446 4.372 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611127 1033492372 /nfs/dbraw/zinc/49/23/72/1033492372.db2.gz HZPNTGKKPIJCDJ-QFBILLFUSA-N 1 0 337.442 4.013 20 30 EIEDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)cc1 ZINC000614162974 1033541286 /nfs/dbraw/zinc/54/12/86/1033541286.db2.gz LNYYVPSJHDDHFR-IBGZPJMESA-N 1 0 334.463 4.486 20 30 EIEDRO C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000614168840 1033554895 /nfs/dbraw/zinc/55/48/95/1033554895.db2.gz XLAPPNNNVDASPX-DYESRHJHSA-N 1 0 334.463 4.450 20 30 EIEDRO CC1CCC(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000512628770 1033563325 /nfs/dbraw/zinc/56/33/25/1033563325.db2.gz NXPAELJEQZQKOW-UHFFFAOYSA-N 1 0 339.483 4.035 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(C#N)cc1F ZINC000512649981 1033608320 /nfs/dbraw/zinc/60/83/20/1033608320.db2.gz WBSNCVHDXHLEGD-IWMITWMQSA-N 1 0 338.426 4.486 20 30 EIEDRO CCc1ccc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1 ZINC000433013566 1033655243 /nfs/dbraw/zinc/65/52/43/1033655243.db2.gz XYWYTESOWKDGMX-HXUWFJFHSA-N 1 0 335.451 4.212 20 30 EIEDRO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433013931 1033655387 /nfs/dbraw/zinc/65/53/87/1033655387.db2.gz QCWIXZALIIIILB-IBGZPJMESA-N 1 0 335.451 4.267 20 30 EIEDRO COC(=O)c1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)s1 ZINC000433015093 1033655933 /nfs/dbraw/zinc/65/59/33/1033655933.db2.gz VHYQFXZQMHXWPN-KRWDZBQOSA-N 1 0 342.464 4.368 20 30 EIEDRO CCc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)N(C)C)cc1 ZINC000512666931 1033667703 /nfs/dbraw/zinc/66/77/03/1033667703.db2.gz MUJYWIZUCHQZIL-VFNWGFHPSA-N 1 0 339.458 4.213 20 30 EIEDRO CC1CCC(N(C)C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000433023060 1033680693 /nfs/dbraw/zinc/68/06/93/1033680693.db2.gz ZCNMWMNGJNTGKG-UUKMXZOPSA-N 1 0 341.499 4.048 20 30 EIEDRO CCOC(=O)c1ccc(-c2ccc(CN(CCC#N)C(C)C)o2)cc1 ZINC000614231862 1033856496 /nfs/dbraw/zinc/85/64/96/1033856496.db2.gz KXLAIYOYCCPUIU-UHFFFAOYSA-N 1 0 340.423 4.247 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614236019 1033870744 /nfs/dbraw/zinc/87/07/44/1033870744.db2.gz WKOMKQBFUTXQNU-HKUYNNGSSA-N 1 0 344.462 4.381 20 30 EIEDRO C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCCC#N ZINC000178769549 1033953791 /nfs/dbraw/zinc/95/37/91/1033953791.db2.gz QSRDPHSXWRPHGY-SJORKVTESA-N 1 0 337.508 4.228 20 30 EIEDRO C=C(CC)C[NH2+][C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000419268616 1033994885 /nfs/dbraw/zinc/99/48/85/1033994885.db2.gz AESJTFAXITVXPG-HXUWFJFHSA-N 1 0 338.451 4.321 20 30 EIEDRO C=C(C)COc1cc(CNCC[N@H+]2CCCC[C@@H]2CC)ccc1OC ZINC000500899201 1034001079 /nfs/dbraw/zinc/00/10/79/1034001079.db2.gz ZHTDKMKLKRAHLJ-IBGZPJMESA-N 1 0 346.515 4.004 20 30 EIEDRO CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000433304941 1034200265 /nfs/dbraw/zinc/20/02/65/1034200265.db2.gz OPQDQDCOAWEQOD-LAUBAEHRSA-N 1 0 349.478 4.161 20 30 EIEDRO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419334065 1034324183 /nfs/dbraw/zinc/32/41/83/1034324183.db2.gz UYWJHSQQBDSWNB-IAGOWNOFSA-N 1 0 338.455 4.255 20 30 EIEDRO CC(C)(CC#N)CN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000419350042 1034395881 /nfs/dbraw/zinc/39/58/81/1034395881.db2.gz NKAMRJWZEHGGBX-SFHVURJKSA-N 1 0 339.414 4.035 20 30 EIEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)c1 ZINC000614396019 1034533962 /nfs/dbraw/zinc/53/39/62/1034533962.db2.gz OTZNFFRPVLHHJP-HXUWFJFHSA-N 1 0 336.435 4.221 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000614402138 1034546546 /nfs/dbraw/zinc/54/65/46/1034546546.db2.gz LXBVTDMOHKEHQF-UHFFFAOYSA-N 1 0 326.484 4.428 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C ZINC000614407347 1034558949 /nfs/dbraw/zinc/55/89/49/1034558949.db2.gz NFUPJCFCKOKHLM-AUUYWEPGSA-N 1 0 328.843 4.386 20 30 EIEDRO CC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)N(CC)CCC#N)C(C)C)cc1 ZINC001167936819 1034749936 /nfs/dbraw/zinc/74/99/36/1034749936.db2.gz NENHFPFBTIECQU-DYESRHJHSA-N 1 0 343.515 4.249 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(CCc3ccccc3)CC2)cc1 ZINC000729266780 1034768327 /nfs/dbraw/zinc/76/83/27/1034768327.db2.gz CUBSICKKHVSWIT-UHFFFAOYSA-N 1 0 334.463 4.434 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)o1 ZINC000513419783 1034925262 /nfs/dbraw/zinc/92/52/62/1034925262.db2.gz JOZRPCBDQCAEPJ-UHFFFAOYSA-N 1 0 338.407 4.215 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc2n[nH]cc2c1 ZINC000513419448 1034925812 /nfs/dbraw/zinc/92/58/12/1034925812.db2.gz HSWNODFIHLEFLV-ZDUSSCGKSA-N 1 0 343.352 4.284 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000182509723 1034961513 /nfs/dbraw/zinc/96/15/13/1034961513.db2.gz IPNDWQDOFRLOCN-NSHDSACASA-N 1 0 338.304 4.447 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCOc2cccc(Cl)c2)cc1OC ZINC000513599347 1035054903 /nfs/dbraw/zinc/05/49/03/1035054903.db2.gz HHTOHQYUPFKCPU-UHFFFAOYSA-N 1 0 347.842 4.082 20 30 EIEDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1OC ZINC000513647616 1035086398 /nfs/dbraw/zinc/08/63/98/1035086398.db2.gz KWVFIBKIIBGBBX-GOEBONIOSA-N 1 0 338.451 4.166 20 30 EIEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000513684063 1035103014 /nfs/dbraw/zinc/10/30/14/1035103014.db2.gz OOAMORMFDWLALX-MRXNPFEDSA-N 1 0 337.442 4.059 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2CC(C)C)c1C ZINC000501098059 1035376599 /nfs/dbraw/zinc/37/65/99/1035376599.db2.gz CIRQFYOGZVITRR-LJQANCHMSA-N 1 0 341.499 4.061 20 30 EIEDRO Cc1cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c(C)s1 ZINC000594985510 1035516311 /nfs/dbraw/zinc/51/63/11/1035516311.db2.gz YGIGZTYEYCEIHP-UHFFFAOYSA-N 1 0 326.465 4.032 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cncc(Br)c1)c1cccc(C#N)c1 ZINC000595025724 1035555130 /nfs/dbraw/zinc/55/51/30/1035555130.db2.gz LYKBCBOVXGDTAI-NEPJUHHUSA-N 1 0 330.229 4.128 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Br)c(Cl)c1 ZINC000595043037 1035565998 /nfs/dbraw/zinc/56/59/98/1035565998.db2.gz FCTVGYLXZSLAMN-JBLDHEPKSA-N 1 0 327.653 4.445 20 30 EIEDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000595086320 1035591859 /nfs/dbraw/zinc/59/18/59/1035591859.db2.gz MOFOWDFALXMYTN-BVSLBCMMSA-N 1 0 348.494 4.060 20 30 EIEDRO COCc1csc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000595077640 1035593833 /nfs/dbraw/zinc/59/38/33/1035593833.db2.gz PAQXIRJIUKNBIK-UHFFFAOYSA-N 1 0 340.492 4.388 20 30 EIEDRO C[C@H](Cc1ccccc1)[NH+]1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000595089949 1035598142 /nfs/dbraw/zinc/59/81/42/1035598142.db2.gz AMARFKSEVSMYQY-LJQANCHMSA-N 1 0 339.527 4.146 20 30 EIEDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1(C#N)CCCCC1 ZINC000595090613 1035600090 /nfs/dbraw/zinc/60/00/90/1035600090.db2.gz JBDIESUHUPQABL-KRWDZBQOSA-N 1 0 330.472 4.089 20 30 EIEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000595433933 1035679136 /nfs/dbraw/zinc/67/91/36/1035679136.db2.gz XBKSQHVCFUREON-LEWJYISDSA-N 1 0 338.426 4.092 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)c(C(F)(F)F)c1 ZINC000595487105 1035682366 /nfs/dbraw/zinc/68/23/66/1035682366.db2.gz DTLASWDNLCRYMV-INIZCTEOSA-N 1 0 345.368 4.352 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H]2CCCC23CCCCC3)c(C#N)c1C ZINC000595603223 1035744254 /nfs/dbraw/zinc/74/42/54/1035744254.db2.gz GUPUJCIHPBUTMW-PBHICJAKSA-N 1 0 343.471 4.188 20 30 EIEDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000595643308 1035756528 /nfs/dbraw/zinc/75/65/28/1035756528.db2.gz XHNUYQZSCTVXGO-LSDHHAIUSA-N 1 0 347.528 4.291 20 30 EIEDRO CC1(C)CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC(C)(C)C1 ZINC000595749263 1035781750 /nfs/dbraw/zinc/78/17/50/1035781750.db2.gz JJWSXFIVDRZGLK-UHFFFAOYSA-N 1 0 338.455 4.256 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)ccn1 ZINC000586773998 1035834041 /nfs/dbraw/zinc/83/40/41/1035834041.db2.gz UHQQCMCUNUOJTG-IBGZPJMESA-N 1 0 327.378 4.015 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)ccn1 ZINC000586776720 1035834803 /nfs/dbraw/zinc/83/48/03/1035834803.db2.gz QQNLCIIHWYACBL-KRWDZBQOSA-N 1 0 347.340 4.093 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(C)c1OC ZINC000586793885 1035849773 /nfs/dbraw/zinc/84/97/73/1035849773.db2.gz NOCHEKHLTLWVGJ-AUUYWEPGSA-N 1 0 336.435 4.222 20 30 EIEDRO CCCN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)cc1 ZINC000586794583 1035850361 /nfs/dbraw/zinc/85/03/61/1035850361.db2.gz SMQSCDPOXWWXFB-ATZDWAIDSA-N 1 0 333.907 4.395 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760647570 1035861808 /nfs/dbraw/zinc/86/18/08/1035861808.db2.gz CIOFGMUTRJFYBH-UHFFFAOYSA-N 1 0 337.463 4.171 20 30 EIEDRO [NH3+]CCc1ccccc1NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001168409157 1035881459 /nfs/dbraw/zinc/88/14/59/1035881459.db2.gz COSZYZASFGSGHK-UHFFFAOYSA-N 1 0 340.426 4.365 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000593183638 1035891648 /nfs/dbraw/zinc/89/16/48/1035891648.db2.gz FEBNXUNKOSMVTN-INIZCTEOSA-N 1 0 337.442 4.013 20 30 EIEDRO C=CCSc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000485469435 1035917444 /nfs/dbraw/zinc/91/74/44/1035917444.db2.gz VYYNVWSEEGKCLQ-KRWDZBQOSA-N 1 0 346.540 4.063 20 30 EIEDRO CC(C)Oc1ccc(CC#N)cc1-c1ccc(F)c(C[NH+](C)C)c1 ZINC000596646328 1035958496 /nfs/dbraw/zinc/95/84/96/1035958496.db2.gz JOPLSZGJJMVMHN-UHFFFAOYSA-N 1 0 326.415 4.408 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3cc(N)ccc32)CC1 ZINC000596649631 1035961088 /nfs/dbraw/zinc/96/10/88/1035961088.db2.gz DGNPBPPQRWBCFU-IRQNMHNUSA-N 1 0 331.463 4.250 20 30 EIEDRO C=CCc1cc(C[NH+]2CCC(OC3CCCC3)CC2)c(O)c(OC)c1 ZINC000164242886 1036002512 /nfs/dbraw/zinc/00/25/12/1036002512.db2.gz QNWQDYPIQLREFE-UHFFFAOYSA-N 1 0 345.483 4.053 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC000571254120 1036010129 /nfs/dbraw/zinc/01/01/29/1036010129.db2.gz XSZQTCQVVFMHQO-FQEVSTJZSA-N 1 0 333.435 4.114 20 30 EIEDRO C[NH+](C)Cc1ccc(NCc2cccc(OCCCC#N)c2)c(F)c1 ZINC000414493238 1036010724 /nfs/dbraw/zinc/01/07/24/1036010724.db2.gz XPTGFCNKDUHDQA-UHFFFAOYSA-N 1 0 341.430 4.182 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cnccc2C(C)(C)C)cc1OC ZINC000414493960 1036016834 /nfs/dbraw/zinc/01/68/34/1036016834.db2.gz CYXFOWQAVAAEKG-UHFFFAOYSA-N 1 0 340.467 4.242 20 30 EIEDRO O[C@@H](C[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1)c1cccs1 ZINC000156559032 1036037197 /nfs/dbraw/zinc/03/71/97/1036037197.db2.gz FSATWHNUMKJGQU-ROUUACIJSA-N 1 0 345.895 4.341 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000571392293 1036040030 /nfs/dbraw/zinc/04/00/30/1036040030.db2.gz STLHPNWFIOVJGF-UHFFFAOYSA-N 1 0 330.353 4.398 20 30 EIEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)c1 ZINC000571450639 1036047785 /nfs/dbraw/zinc/04/77/85/1036047785.db2.gz DGEABSFJTLZSNA-NRFANRHFSA-N 1 0 342.446 4.177 20 30 EIEDRO N#CC1(c2ccc(C[NH+]3CCC4(CC3)OCc3ccccc34)cc2)CC1 ZINC000597023054 1036074971 /nfs/dbraw/zinc/07/49/71/1036074971.db2.gz YWUYPODWFQUDDA-UHFFFAOYSA-N 1 0 344.458 4.263 20 30 EIEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CCCC2)CC1 ZINC000571603046 1036090971 /nfs/dbraw/zinc/09/09/71/1036090971.db2.gz SWKQYTBTDOYIJY-CQSZACIVSA-N 1 0 345.874 4.195 20 30 EIEDRO CCCCCOc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1OC ZINC000597172461 1036124075 /nfs/dbraw/zinc/12/40/75/1036124075.db2.gz ADUUTNAHQDYCQP-KRWDZBQOSA-N 1 0 330.472 4.390 20 30 EIEDRO N#CC1(CNCc2ccc(Oc3ccc(F)cc3)nc2)CCCC1 ZINC000597159311 1036138569 /nfs/dbraw/zinc/13/85/69/1036138569.db2.gz XVHSUXXBMQPGHX-UHFFFAOYSA-N 1 0 325.387 4.187 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1OCCC(C)C ZINC000597173628 1036141943 /nfs/dbraw/zinc/14/19/43/1036141943.db2.gz LIULVEDIOJTUKW-KRWDZBQOSA-N 1 0 330.472 4.246 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)C1 ZINC000597174671 1036144327 /nfs/dbraw/zinc/14/43/27/1036144327.db2.gz SSLULLASIGUNJR-GFCCVEGCSA-N 1 0 337.250 4.395 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000597224369 1036168972 /nfs/dbraw/zinc/16/89/72/1036168972.db2.gz HESLHERGAYBKTG-CTNGQTDRSA-N 1 0 342.483 4.150 20 30 EIEDRO CC1CC[NH+](CCc2cccc(NC(=O)CCCCCC#N)c2)CC1 ZINC000588162768 1036231308 /nfs/dbraw/zinc/23/13/08/1036231308.db2.gz CIOYEGHMRSLSDH-UHFFFAOYSA-N 1 0 341.499 4.374 20 30 EIEDRO CC[NH+](CC)CCCC1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597494699 1036261098 /nfs/dbraw/zinc/26/10/98/1036261098.db2.gz QVQZFKIRRODNHW-UHFFFAOYSA-N 1 0 347.547 4.211 20 30 EIEDRO CC(C)(C)OCc1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000421326941 1036277097 /nfs/dbraw/zinc/27/70/97/1036277097.db2.gz PBSQQTRWFTZMMF-UHFFFAOYSA-N 1 0 326.415 4.302 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)cc1F ZINC000421329975 1036279933 /nfs/dbraw/zinc/27/99/33/1036279933.db2.gz WQUQUAMFIRNOAY-UHFFFAOYSA-N 1 0 339.414 4.094 20 30 EIEDRO CC(C)(C)CC(C)(C)[NH+]1CCC(NCc2ccc(C#N)s2)CC1 ZINC000421351288 1036295304 /nfs/dbraw/zinc/29/53/04/1036295304.db2.gz NTBPAIQIWVBRAC-UHFFFAOYSA-N 1 0 333.545 4.389 20 30 EIEDRO CC[NH+](CC)CCOc1ccccc1NCc1ccc(C#N)c(F)c1 ZINC000421333050 1036299535 /nfs/dbraw/zinc/29/95/35/1036299535.db2.gz GSKFZFDTTLKDDO-UHFFFAOYSA-N 1 0 341.430 4.030 20 30 EIEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000421362545 1036308187 /nfs/dbraw/zinc/30/81/87/1036308187.db2.gz JIXSQLVGAMTJSP-TZIWHRDSSA-N 1 0 338.426 4.263 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(c3c(F)cccc3F)CC2)cc1 ZINC000485856612 1036328740 /nfs/dbraw/zinc/32/87/40/1036328740.db2.gz QKRMZABFXXSFSO-UHFFFAOYSA-N 1 0 326.390 4.410 20 30 EIEDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555263 1036342221 /nfs/dbraw/zinc/34/22/21/1036342221.db2.gz WATFJFOIEGYJSR-OAHLLOKOSA-N 1 0 333.391 4.317 20 30 EIEDRO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000906628115 1036362296 /nfs/dbraw/zinc/36/22/96/1036362296.db2.gz MJALTCQKTFTOFT-JKSUJKDBSA-N 1 0 345.512 4.141 20 30 EIEDRO C[C@H](CCC#N)C[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000602457372 1036453308 /nfs/dbraw/zinc/45/33/08/1036453308.db2.gz AOIGVNSRTCENKK-LJQANCHMSA-N 1 0 336.479 4.400 20 30 EIEDRO C[C@@H](CCC#N)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000602455529 1036454724 /nfs/dbraw/zinc/45/47/24/1036454724.db2.gz SVRJFSJGYTYDAI-INIZCTEOSA-N 1 0 342.462 4.030 20 30 EIEDRO CC[C@@H]1C[N@H+](C[C@H](C)CCC#N)[C@@H](CC)CN1C[C@@H](C)CCC#N ZINC000602494923 1036469359 /nfs/dbraw/zinc/46/93/59/1036469359.db2.gz RAJYMQGHMIIKKY-JVSBHGNQSA-N 1 0 332.536 4.041 20 30 EIEDRO N#CC1CCC([NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000602515564 1036474474 /nfs/dbraw/zinc/47/44/74/1036474474.db2.gz PSVCIHWVPOYLGR-UHFFFAOYSA-N 1 0 333.435 4.111 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000602506919 1036484160 /nfs/dbraw/zinc/48/41/60/1036484160.db2.gz YGXLKTBOYVVPST-LBPRGKRZSA-N 1 0 327.255 4.182 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000602512495 1036486499 /nfs/dbraw/zinc/48/64/99/1036486499.db2.gz BRBBDRXCHQSTHO-QGZVFWFLSA-N 1 0 344.474 4.326 20 30 EIEDRO N#Cc1ccc(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c(F)c1 ZINC000602540235 1036489408 /nfs/dbraw/zinc/48/94/08/1036489408.db2.gz YAWIOGQOJVJFGR-DENIHFKCSA-N 1 0 349.453 4.155 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000414531537 1036489335 /nfs/dbraw/zinc/48/93/35/1036489335.db2.gz GJQFZYIZERWUQX-SJLPKXTDSA-N 1 0 328.481 4.272 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000602531364 1036492712 /nfs/dbraw/zinc/49/27/12/1036492712.db2.gz HNNSNWBXDZNDKP-CYBMUJFWSA-N 1 0 341.282 4.224 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000602532114 1036492934 /nfs/dbraw/zinc/49/29/34/1036492934.db2.gz KGGVUMZHEWYHLJ-QGZVFWFLSA-N 1 0 332.451 4.114 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 ZINC000602525483 1036494450 /nfs/dbraw/zinc/49/44/50/1036494450.db2.gz BRKLNPHKDZAGDX-KRWDZBQOSA-N 1 0 333.357 4.459 20 30 EIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000602533388 1036495640 /nfs/dbraw/zinc/49/56/40/1036495640.db2.gz XOBXVTNUGWIDPT-OAQYLSRUSA-N 1 0 349.478 4.023 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000602534444 1036496709 /nfs/dbraw/zinc/49/67/09/1036496709.db2.gz UMRVYYGADAPAPL-CQSZACIVSA-N 1 0 345.874 4.052 20 30 EIEDRO N#CC1CCC([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000602565937 1036497565 /nfs/dbraw/zinc/49/75/65/1036497565.db2.gz BLOSOUVVORALRK-ITXXBFQVSA-N 1 0 325.843 4.496 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000602589190 1036502159 /nfs/dbraw/zinc/50/21/59/1036502159.db2.gz DVDDAYXZZWLXNC-FDDYUBGGSA-N 1 0 347.453 4.161 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000602623587 1036520978 /nfs/dbraw/zinc/52/09/78/1036520978.db2.gz LNRYKOWNWKDODY-ZBFHGGJFSA-N 1 0 340.389 4.021 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000602623586 1036523455 /nfs/dbraw/zinc/52/34/55/1036523455.db2.gz LNRYKOWNWKDODY-HOCLYGCPSA-N 1 0 340.389 4.021 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000060832394 1036528462 /nfs/dbraw/zinc/52/84/62/1036528462.db2.gz LHLNCLWLUGIELK-QFIPXVFZSA-N 1 0 336.479 4.178 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000602643818 1036536028 /nfs/dbraw/zinc/53/60/28/1036536028.db2.gz LIYLLYAWDZJART-JSGCOSHPSA-N 1 0 326.271 4.102 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](C)CC(F)(F)F)ccc1OC ZINC000414534042 1036540504 /nfs/dbraw/zinc/54/05/04/1036540504.db2.gz VZUBSKIKKALESY-CYBMUJFWSA-N 1 0 331.378 4.328 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000602630088 1036543754 /nfs/dbraw/zinc/54/37/54/1036543754.db2.gz TVYLTABMFUJPMM-RLLQIKCJSA-N 1 0 326.484 4.086 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)n1 ZINC000602651137 1036544269 /nfs/dbraw/zinc/54/42/69/1036544269.db2.gz PNJRSMAQONNECY-IBGZPJMESA-N 1 0 327.378 4.015 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000602672129 1036547392 /nfs/dbraw/zinc/54/73/92/1036547392.db2.gz OBBFSLSBJVVFIE-ACJLOTCBSA-N 1 0 334.410 4.031 20 30 EIEDRO COc1ccc(C[N@H+](CCc2ccccn2)C[C@@H](C)CCC#N)cc1 ZINC000602637593 1036549736 /nfs/dbraw/zinc/54/97/36/1036549736.db2.gz GOIOZUVSKKMDHM-SFHVURJKSA-N 1 0 337.467 4.075 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000502712825 1036552727 /nfs/dbraw/zinc/55/27/27/1036552727.db2.gz RJZZDTUZZRRMKS-MRXNPFEDSA-N 1 0 325.456 4.414 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000602675899 1036553923 /nfs/dbraw/zinc/55/39/23/1036553923.db2.gz WQOKNTBKUOWINZ-MISYRCLQSA-N 1 0 326.484 4.259 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000602692690 1036564745 /nfs/dbraw/zinc/56/47/45/1036564745.db2.gz XJCROHWTVPUGDZ-MRXNPFEDSA-N 1 0 346.902 4.351 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000602699973 1036578383 /nfs/dbraw/zinc/57/83/83/1036578383.db2.gz PTHIXTXXZSRFLS-YOEHRIQHSA-N 1 0 346.446 4.116 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000602711698 1036580742 /nfs/dbraw/zinc/58/07/42/1036580742.db2.gz JIGGNIODPMVBKK-ZTFGCOKTSA-N 1 0 328.456 4.086 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H]1CSCc2ccc(Br)cc21 ZINC000602712449 1036586679 /nfs/dbraw/zinc/58/66/79/1036586679.db2.gz WRABKHWCBFACSB-ABAIWWIYSA-N 1 0 339.302 4.266 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000602728943 1036595979 /nfs/dbraw/zinc/59/59/79/1036595979.db2.gz FBXXJSMUEWSQIH-KBXCAEBGSA-N 1 0 332.875 4.406 20 30 EIEDRO N#CCC1(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000602798553 1036626098 /nfs/dbraw/zinc/62/60/98/1036626098.db2.gz QMRNHMYNAJAYHH-LLVKDONJSA-N 1 0 329.391 4.035 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)c(Cl)c1 ZINC000602883572 1036657218 /nfs/dbraw/zinc/65/72/18/1036657218.db2.gz OMTRWAPQSVMBSL-QGZVFWFLSA-N 1 0 348.837 4.144 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602889956 1036662368 /nfs/dbraw/zinc/66/23/68/1036662368.db2.gz XNXZZIBVLNLHNY-HNAYVOBHSA-N 1 0 328.419 4.052 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000598590794 1036708538 /nfs/dbraw/zinc/70/85/38/1036708538.db2.gz PJRAJLGOWDWEIW-FQEVSTJZSA-N 1 0 340.442 4.129 20 30 EIEDRO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586619 1036708624 /nfs/dbraw/zinc/70/86/24/1036708624.db2.gz JESUHADQQXTBIC-WCQYABFASA-N 1 0 329.271 4.287 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598587737 1036710079 /nfs/dbraw/zinc/71/00/79/1036710079.db2.gz UTWDWXCHKQPMGU-DGCLKSJQSA-N 1 0 329.271 4.287 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(c1ccccc1)c1ccccc1 ZINC000598612948 1036712470 /nfs/dbraw/zinc/71/24/70/1036712470.db2.gz SSLIRTQOZPPKPM-YLJYHZDGSA-N 1 0 336.479 4.097 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000598622864 1036718461 /nfs/dbraw/zinc/71/84/61/1036718461.db2.gz SKDTYYHRKBQYEE-RTBURBONSA-N 1 0 326.484 4.295 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@](C)(Cc1ccccc1)c1ccccc1 ZINC000598621766 1036718513 /nfs/dbraw/zinc/71/85/13/1036718513.db2.gz LWLFGJHZJYUECQ-RBBKRZOGSA-N 1 0 336.479 4.035 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000593587793 1036725674 /nfs/dbraw/zinc/72/56/74/1036725674.db2.gz YEBKNQNAMNRKEX-HOTGVXAUSA-N 1 0 330.472 4.357 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CN[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000589341704 1036738241 /nfs/dbraw/zinc/73/82/41/1036738241.db2.gz HMPWBZGYAJCWGA-IIBYNOLFSA-N 1 0 333.479 4.265 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C1 ZINC000589344102 1036742005 /nfs/dbraw/zinc/74/20/05/1036742005.db2.gz YELZHSAWOSIIKJ-OCCSQVGLSA-N 1 0 346.272 4.145 20 30 EIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000589314604 1036745987 /nfs/dbraw/zinc/74/59/87/1036745987.db2.gz FRIOKEJECZVHPT-INIZCTEOSA-N 1 0 340.389 4.262 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1(c2cccc(Cl)c2)CCCC1 ZINC000598701783 1036750663 /nfs/dbraw/zinc/75/06/63/1036750663.db2.gz YVDUMTXRLPEXFA-KRWDZBQOSA-N 1 0 334.891 4.042 20 30 EIEDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000502867341 1036751356 /nfs/dbraw/zinc/75/13/56/1036751356.db2.gz MAHSXTYTAFNLDJ-BZUAXINKSA-N 1 0 345.512 4.045 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000598724094 1036759411 /nfs/dbraw/zinc/75/94/11/1036759411.db2.gz MDPSQRAZEHQPSL-PZJWPPBQSA-N 1 0 334.463 4.231 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000598724092 1036760549 /nfs/dbraw/zinc/76/05/49/1036760549.db2.gz MDPSQRAZEHQPSL-CTNGQTDRSA-N 1 0 334.463 4.231 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000598728917 1036765984 /nfs/dbraw/zinc/76/59/84/1036765984.db2.gz XGBAKBWKIZDXJA-SZMVWBNQSA-N 1 0 334.891 4.257 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000170686271 1036775713 /nfs/dbraw/zinc/77/57/13/1036775713.db2.gz BVBVSYYCONTYGM-CYBMUJFWSA-N 1 0 334.341 4.459 20 30 EIEDRO C=CCCCCC[NH+]1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000486696791 1036818576 /nfs/dbraw/zinc/81/85/76/1036818576.db2.gz DBSNBFHZOGUOEY-UHFFFAOYSA-N 1 0 333.472 4.293 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(C(F)(F)F)c1 ZINC000589516147 1036821237 /nfs/dbraw/zinc/82/12/37/1036821237.db2.gz HYOOQOYPDGNUSL-CGTJXYLNSA-N 1 0 328.337 4.005 20 30 EIEDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C#N)s1 ZINC000421887292 1036833989 /nfs/dbraw/zinc/83/39/89/1036833989.db2.gz SPQNYLSKQKXRPE-LBPRGKRZSA-N 1 0 347.465 4.188 20 30 EIEDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)nc1 ZINC000598991537 1036835676 /nfs/dbraw/zinc/83/56/76/1036835676.db2.gz ODKMULBQLCBXFF-UHFFFAOYSA-N 1 0 347.384 4.348 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cscc3Cl)CCOCC2)cc1 ZINC000599002281 1036842429 /nfs/dbraw/zinc/84/24/29/1036842429.db2.gz HFRQBAWECZRHQP-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO C[C@@H](CCc1ccccc1)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599002287 1036843138 /nfs/dbraw/zinc/84/31/38/1036843138.db2.gz IURIUXBYXKBKSV-IBGZPJMESA-N 1 0 348.490 4.422 20 30 EIEDRO Cc1ccc(C(C)(C)C[NH2+]Cc2cccc(OCCCC#N)c2)nc1 ZINC000598991812 1036846495 /nfs/dbraw/zinc/84/64/95/1036846495.db2.gz SMRLJVHQGKTDQX-UHFFFAOYSA-N 1 0 337.467 4.140 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(C#N)s3)cc2)C1 ZINC000486754270 1036847560 /nfs/dbraw/zinc/84/75/60/1036847560.db2.gz LTXKEBMDVXJQMJ-AWEZNQCLSA-N 1 0 339.464 4.104 20 30 EIEDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(C#N)s3)cc2)CC1 ZINC000486789053 1036854680 /nfs/dbraw/zinc/85/46/80/1036854680.db2.gz RXFIJJJGBGANBS-UHFFFAOYSA-N 1 0 339.464 4.104 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2cccc(OC)c2)cc1Cl ZINC000589641526 1036857239 /nfs/dbraw/zinc/85/72/39/1036857239.db2.gz NJFXXXOMZOKUFQ-UHFFFAOYSA-N 1 0 331.843 4.246 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CSc3ccc(Br)cc32)cc1 ZINC000486809098 1036860292 /nfs/dbraw/zinc/86/02/92/1036860292.db2.gz DKLCXHFNGKELDE-OAHLLOKOSA-N 1 0 345.265 4.257 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CSc3ccc(Br)cc32)c1 ZINC000486810748 1036861518 /nfs/dbraw/zinc/86/15/18/1036861518.db2.gz JLYFIGUWAZQRBU-HNNXBMFYSA-N 1 0 345.265 4.257 20 30 EIEDRO CC[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000503003500 1036869104 /nfs/dbraw/zinc/86/91/04/1036869104.db2.gz GLAJPQYZEUWJAI-LJQANCHMSA-N 1 0 333.479 4.310 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000503028779 1036878216 /nfs/dbraw/zinc/87/82/16/1036878216.db2.gz YGCSKGGRRHHEFH-MJGOQNOKSA-N 1 0 329.365 4.450 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@H]3C[C@@H]3c3ccccc3)C2)c(F)c1 ZINC000503042765 1036884268 /nfs/dbraw/zinc/88/42/68/1036884268.db2.gz IPQZMOJUZHWNLM-HSALFYBXSA-N 1 0 349.453 4.059 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc21 ZINC000593690023 1036894250 /nfs/dbraw/zinc/89/42/50/1036894250.db2.gz KUZNLYOFRYMMJP-UXHICEINSA-N 1 0 348.446 4.218 20 30 EIEDRO CC[C@H](C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593692337 1036895428 /nfs/dbraw/zinc/89/54/28/1036895428.db2.gz BWZIVJOGHNHQMA-OAQYLSRUSA-N 1 0 347.506 4.306 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc21 ZINC000593691189 1036896395 /nfs/dbraw/zinc/89/63/95/1036896395.db2.gz PFFWFXGBHUFDLA-WOJBJXKFSA-N 1 0 348.446 4.218 20 30 EIEDRO CC1=C[C@H](C)C[C@@H](C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593693146 1036898771 /nfs/dbraw/zinc/89/87/71/1036898771.db2.gz QTNRVRIVLDOKSX-LAUBAEHRSA-N 1 0 337.511 4.105 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCCC[C@@H]3C3CC3)CC2)c1 ZINC000593701946 1036905770 /nfs/dbraw/zinc/90/57/70/1036905770.db2.gz ILGQFVBAYCXVJD-FGZHOGPDSA-N 1 0 337.511 4.081 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)ccc1OC(F)F ZINC000599261961 1036931643 /nfs/dbraw/zinc/93/16/43/1036931643.db2.gz ZASUJBANOXORTO-UHFFFAOYSA-N 1 0 346.377 4.109 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1OCCc2sccc21 ZINC000590024815 1036932875 /nfs/dbraw/zinc/93/28/75/1036932875.db2.gz OBZIDRHZHSHKOV-LIRRHRJNSA-N 1 0 340.492 4.341 20 30 EIEDRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593723809 1036948205 /nfs/dbraw/zinc/94/82/05/1036948205.db2.gz ZSJDXAMDZOHIQC-TZIWHRDSSA-N 1 0 325.500 4.081 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)c2ccccc21 ZINC000599361295 1036975938 /nfs/dbraw/zinc/97/59/38/1036975938.db2.gz UOJUKHOYUTVPDJ-KBPBESRZSA-N 1 0 328.843 4.199 20 30 EIEDRO Cc1ccccc1C([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccccc1C ZINC000599363088 1036979351 /nfs/dbraw/zinc/97/93/51/1036979351.db2.gz AIMHKOIQPBJBOI-SFHVURJKSA-N 1 0 334.463 4.037 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487167075 1037025600 /nfs/dbraw/zinc/02/56/00/1037025600.db2.gz QDRNUFDOUGFBIT-UHFFFAOYSA-N 1 0 329.322 4.033 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cscc2C)cc1OCCCC#N ZINC000487193406 1037039270 /nfs/dbraw/zinc/03/92/70/1037039270.db2.gz ZIVZOXHRQYXBEP-UHFFFAOYSA-N 1 0 330.453 4.038 20 30 EIEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526778 1037057627 /nfs/dbraw/zinc/05/76/27/1037057627.db2.gz RSMQWEJWKIYECA-SWLSCSKDSA-N 1 0 339.302 4.308 20 30 EIEDRO C[C@H]([NH2+]CCCSCC#N)c1cc(F)c(Br)cc1F ZINC000599542524 1037066545 /nfs/dbraw/zinc/06/65/45/1037066545.db2.gz UWZFKVFUAIHNBJ-VIFPVBQESA-N 1 0 349.244 4.025 20 30 EIEDRO Cc1cccc([C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)C(C)C)c1 ZINC000599625999 1037112750 /nfs/dbraw/zinc/11/27/50/1037112750.db2.gz CAHHLRWYFFKOLJ-SFHVURJKSA-N 1 0 341.480 4.244 20 30 EIEDRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](C#N)CCC#N ZINC000599651374 1037118780 /nfs/dbraw/zinc/11/87/80/1037118780.db2.gz GIRCYGBTMXRNIU-YCPHGPKFSA-N 1 0 346.272 4.070 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)CC1 ZINC000590644455 1037129737 /nfs/dbraw/zinc/12/97/37/1037129737.db2.gz MPVKAHTVYHXTTK-GSVIPDFHSA-N 1 0 346.478 4.063 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1C#N ZINC000599685199 1037132440 /nfs/dbraw/zinc/13/24/40/1037132440.db2.gz YHYZLLJNTUNBBG-SFHVURJKSA-N 1 0 349.261 4.387 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c(-c2cc3ccccc3o2)n1 ZINC000590656416 1037133924 /nfs/dbraw/zinc/13/39/24/1037133924.db2.gz BEFZDKZCRJPRPO-YOEHRIQHSA-N 1 0 334.423 4.005 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000590653792 1037134379 /nfs/dbraw/zinc/13/43/79/1037134379.db2.gz UXDNIGFMFDVSSH-JKSUJKDBSA-N 1 0 328.337 4.240 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2CCC(OC(F)F)CC2)c(C(F)(F)F)c1 ZINC000590662513 1037135376 /nfs/dbraw/zinc/13/53/76/1037135376.db2.gz ZBSHLKFZTRWTNB-UHFFFAOYSA-N 1 0 348.315 4.217 20 30 EIEDRO CC1CCN([C@H](C[NH2+]Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000057597202 1037136285 /nfs/dbraw/zinc/13/62/85/1037136285.db2.gz WZWZPLOCZMOWOA-LJQANCHMSA-N 1 0 339.508 4.183 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000590779259 1037162593 /nfs/dbraw/zinc/16/25/93/1037162593.db2.gz KDUHQHYPRNMGGL-INIZCTEOSA-N 1 0 331.341 4.139 20 30 EIEDRO CC1(C#N)CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000272530341 1037210366 /nfs/dbraw/zinc/21/03/66/1037210366.db2.gz MXCPQUZSAOWZOG-UHFFFAOYSA-N 1 0 345.446 4.263 20 30 EIEDRO CCOc1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc(Cl)c1O ZINC000590962110 1037214470 /nfs/dbraw/zinc/21/44/70/1037214470.db2.gz AUKGBECDGVMJQN-KRWDZBQOSA-N 1 0 342.826 4.093 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000591023401 1037274595 /nfs/dbraw/zinc/27/45/95/1037274595.db2.gz HYUNSINVHVJHSX-FQEVSTJZSA-N 1 0 333.435 4.018 20 30 EIEDRO C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000591066740 1037282890 /nfs/dbraw/zinc/28/28/90/1037282890.db2.gz KCXJTVJHRWNCAW-KRWDZBQOSA-N 1 0 347.462 4.035 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CC2CCCCC2)C(C)(C)C)CC1 ZINC000604652982 1037467249 /nfs/dbraw/zinc/46/72/49/1037467249.db2.gz USPASAVNLSIVQI-IBGZPJMESA-N 1 0 349.563 4.321 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000488318463 1037505846 /nfs/dbraw/zinc/50/58/46/1037505846.db2.gz JXAQSWOBXSMZND-IFXJQAMLSA-N 1 0 328.843 4.386 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000604772723 1037510736 /nfs/dbraw/zinc/51/07/36/1037510736.db2.gz SCBNPRBLQYRQLF-IBGZPJMESA-N 1 0 340.442 4.149 20 30 EIEDRO CC(C)[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CS1 ZINC000488429522 1037590020 /nfs/dbraw/zinc/59/00/20/1037590020.db2.gz ISKWFVVPPZNZCH-PAQOUXTFSA-N 1 0 344.524 4.368 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503370027 1037713084 /nfs/dbraw/zinc/71/30/84/1037713084.db2.gz DKMBTQFPJVUCEO-YJYMSZOUSA-N 1 0 326.827 4.245 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503370025 1037713700 /nfs/dbraw/zinc/71/37/00/1037713700.db2.gz DKMBTQFPJVUCEO-DJJJIMSYSA-N 1 0 326.827 4.245 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503375639 1037728530 /nfs/dbraw/zinc/72/85/30/1037728530.db2.gz JAVOVQVUIXMFIW-BFUOFWGJSA-N 1 0 326.827 4.245 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(N3CC[N@@H+](C4CCC4)C[C@H](C)C3)c2c1 ZINC000488757282 1037739376 /nfs/dbraw/zinc/73/93/76/1037739376.db2.gz YAKHDTLBMHBNLH-INIZCTEOSA-N 1 0 348.494 4.034 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H](C)c1cccs1)C(C)C ZINC000503410121 1037741339 /nfs/dbraw/zinc/74/13/39/1037741339.db2.gz WGUXCBILOKYFIJ-DLBZAZTESA-N 1 0 349.544 4.149 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000592165706 1037748851 /nfs/dbraw/zinc/74/88/51/1037748851.db2.gz DVWVJANKHQMGNY-WOJBJXKFSA-N 1 0 328.500 4.165 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cn2)c2cccc(Br)c21 ZINC000783300221 1037791972 /nfs/dbraw/zinc/79/19/72/1037791972.db2.gz KRLCASLUWFJLJE-BZNIZROVSA-N 1 0 342.240 4.054 20 30 EIEDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000592381060 1037792428 /nfs/dbraw/zinc/79/24/28/1037792428.db2.gz ZYVKFEVDONEMSM-QRWLVFNGSA-N 1 0 338.476 4.121 20 30 EIEDRO Cc1ccc(-c2ncc(C[NH2+]Cc3ccc(OCC#N)cc3)s2)cc1 ZINC000172037416 1037835267 /nfs/dbraw/zinc/83/52/67/1037835267.db2.gz HTBYDVHYZPCGJF-UHFFFAOYSA-N 1 0 349.459 4.311 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ccc(OC)cc2)C2CC2)cc1 ZINC000172112705 1037856715 /nfs/dbraw/zinc/85/67/15/1037856715.db2.gz BUTBFCZCDMKXRF-QFIPXVFZSA-N 1 0 335.447 4.338 20 30 EIEDRO C=CCCC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000605738766 1037859254 /nfs/dbraw/zinc/85/92/54/1037859254.db2.gz PTYPCGKOBSCPCB-HXUWFJFHSA-N 1 0 342.508 4.160 20 30 EIEDRO CCC1(CC)CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000190412916 1037880536 /nfs/dbraw/zinc/88/05/36/1037880536.db2.gz XDOODKUDGOKBCH-UHFFFAOYSA-N 1 0 338.455 4.401 20 30 EIEDRO C[C@H]1CCC[N@@H+]1Cc1cccc(-c2cccc(C[C@H](C#N)CO)c2)c1 ZINC000592984973 1037896813 /nfs/dbraw/zinc/89/68/13/1037896813.db2.gz DFQNAXWKHLCIRZ-FXAWDEMLSA-N 1 0 334.463 4.012 20 30 EIEDRO Cc1ccccc1C1([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000592372525 1037905006 /nfs/dbraw/zinc/90/50/06/1037905006.db2.gz GOORTENEFAHKQR-UHFFFAOYSA-N 1 0 331.463 4.114 20 30 EIEDRO C=C(C)[C@H](N[C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(F)c(F)c1 ZINC000423051476 1037938081 /nfs/dbraw/zinc/93/80/81/1037938081.db2.gz NLWDOECAGIAEGD-DJJJIMSYSA-N 1 0 331.410 4.095 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000592404840 1037976727 /nfs/dbraw/zinc/97/67/27/1037976727.db2.gz YEBDDKFMFHPMLJ-KSZLIROESA-N 1 0 328.456 4.109 20 30 EIEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075740857 1038067329 /nfs/dbraw/zinc/06/73/29/1038067329.db2.gz KCDSMVWGJPYBDY-FQEVSTJZSA-N 1 0 346.434 4.437 20 30 EIEDRO C=C[C@H]1CCCCN1Cc1ccc(OC)c(OC)c1Br ZINC000489462617 1038074332 /nfs/dbraw/zinc/07/43/32/1038074332.db2.gz KZSDGSNAUUWXFG-ZDUSSCGKSA-N 1 0 340.261 4.007 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)nc1 ZINC000593985971 1038098784 /nfs/dbraw/zinc/09/87/84/1038098784.db2.gz RFILBOVAXWHJQW-QGZVFWFLSA-N 1 0 331.341 4.213 20 30 EIEDRO N#C[C@H]1CCC[C@@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000593677554 1038122065 /nfs/dbraw/zinc/12/20/65/1038122065.db2.gz ASMGHXLYJGVFHY-FUHWJXTLSA-N 1 0 329.513 4.369 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)c1 ZINC000489564938 1038136868 /nfs/dbraw/zinc/13/68/68/1038136868.db2.gz SOMJTBVFZKVNOV-OAQYLSRUSA-N 1 0 332.447 4.441 20 30 EIEDRO C=CCC[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1ccccc1 ZINC000489610355 1038167206 /nfs/dbraw/zinc/16/72/06/1038167206.db2.gz UDHNREGBYCBEKQ-RTBURBONSA-N 1 0 342.508 4.217 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000063299759 1038198643 /nfs/dbraw/zinc/19/86/43/1038198643.db2.gz FECQZSLFALZQEZ-UHFFFAOYSA-N 1 0 328.362 4.348 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccccc3Br)CCC2)cc1 ZINC000594032019 1038228514 /nfs/dbraw/zinc/22/85/14/1038228514.db2.gz AEJHKLUFKPCKIV-UHFFFAOYSA-N 1 0 341.252 4.490 20 30 EIEDRO CC(C)(C)Oc1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594033373 1038235744 /nfs/dbraw/zinc/23/57/44/1038235744.db2.gz OEFSJZQQAVWHBA-UHFFFAOYSA-N 1 0 335.451 4.300 20 30 EIEDRO CCc1cccc(C)c1NC(=O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032558 1038236814 /nfs/dbraw/zinc/23/68/14/1038236814.db2.gz IXVCXGAUBCLOFF-UHFFFAOYSA-N 1 0 347.462 4.037 20 30 EIEDRO COc1cncc(/C=C/CC[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594034971 1038255051 /nfs/dbraw/zinc/25/50/51/1038255051.db2.gz HNTFSYAEJWLFPS-GORDUTHDSA-N 1 0 333.435 4.034 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc(C#N)cc1F ZINC000489905203 1038261672 /nfs/dbraw/zinc/26/16/72/1038261672.db2.gz HFLDNTKJIQVLNG-GCKMJXCFSA-N 1 0 337.442 4.011 20 30 EIEDRO C=CCCCCC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000606902646 1038299471 /nfs/dbraw/zinc/29/94/71/1038299471.db2.gz GFYUYKGRMKMPCN-UHFFFAOYSA-N 1 0 326.843 4.486 20 30 EIEDRO Cc1cc(Oc2ccccc2)ccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594432659 1038334243 /nfs/dbraw/zinc/33/42/43/1038334243.db2.gz AIRJYBSMBCBGFO-SFHVURJKSA-N 1 0 337.423 4.137 20 30 EIEDRO C[C@H](O)C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594498987 1038346313 /nfs/dbraw/zinc/34/63/13/1038346313.db2.gz XNIVNOPMJQGXQL-PXNSSMCTSA-N 1 0 336.479 4.132 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCCc2nc3ccccc3[nH]2)cc1 ZINC000594496697 1038346638 /nfs/dbraw/zinc/34/66/38/1038346638.db2.gz RSZHSQCDSBJACK-UHFFFAOYSA-N 1 0 332.451 4.086 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000594510867 1038356768 /nfs/dbraw/zinc/35/67/68/1038356768.db2.gz MEZUCILCZNIXFE-NHCUHLMSSA-N 1 0 334.463 4.498 20 30 EIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCO2 ZINC000594515240 1038358450 /nfs/dbraw/zinc/35/84/50/1038358450.db2.gz LSRURWRZVYYXMA-HNNXBMFYSA-N 1 0 334.419 4.059 20 30 EIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(-n2ccnc2)cc1 ZINC000594512862 1038358480 /nfs/dbraw/zinc/35/84/80/1038358480.db2.gz FEDHFGAPGVQYQN-QGZVFWFLSA-N 1 0 342.446 4.474 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594520849 1038360850 /nfs/dbraw/zinc/36/08/50/1038360850.db2.gz QDJSNZJVHQSRME-UHFFFAOYSA-N 1 0 345.446 4.410 20 30 EIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc([S@@](C)=O)cc1 ZINC000594519571 1038361519 /nfs/dbraw/zinc/36/15/19/1038361519.db2.gz WDMCLBBQDQDODM-IZHWHUGBSA-N 1 0 338.476 4.026 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594519624 1038361724 /nfs/dbraw/zinc/36/17/24/1038361724.db2.gz RTBNFDRZMKWMPP-JCGIZDLHSA-N 1 0 342.483 4.040 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000063482778 1038386956 /nfs/dbraw/zinc/38/69/56/1038386956.db2.gz PUHHDUASQOUMIA-UHFFFAOYSA-N 1 0 347.871 4.124 20 30 EIEDRO C#CCCCCCC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001168405089 1038388998 /nfs/dbraw/zinc/38/89/98/1038388998.db2.gz WTYJBYIJZCQKOH-GBESFXJTSA-N 1 0 348.531 4.195 20 30 EIEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@H]2C)c1=S ZINC000173529478 1038392789 /nfs/dbraw/zinc/39/27/89/1038392789.db2.gz GSIKEHYIGMXTTI-OAHLLOKOSA-N 1 0 328.485 4.017 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000594915276 1038427253 /nfs/dbraw/zinc/42/72/53/1038427253.db2.gz RNZNBJFCHUWSRG-UHFFFAOYSA-N 1 0 346.352 4.430 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594917728 1038427468 /nfs/dbraw/zinc/42/74/68/1038427468.db2.gz MRPUAILVYABCCP-QGZVFWFLSA-N 1 0 334.463 4.361 20 30 EIEDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)N2CCCC2)o1 ZINC000594925450 1038428897 /nfs/dbraw/zinc/42/88/97/1038428897.db2.gz LRMUPYVHFPBZOR-FQEVSTJZSA-N 1 0 349.478 4.070 20 30 EIEDRO COc1cc(Cl)ccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594927089 1038428913 /nfs/dbraw/zinc/42/89/13/1038428913.db2.gz UJYKQVYGYPCFPT-UHFFFAOYSA-N 1 0 326.827 4.194 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3c[nH]c4ccc(F)cc34)cc2)CC1 ZINC000594924862 1038430486 /nfs/dbraw/zinc/43/04/86/1038430486.db2.gz OEJFONVKMKSNRR-UHFFFAOYSA-N 1 0 333.410 4.194 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594926982 1038430786 /nfs/dbraw/zinc/43/07/86/1038430786.db2.gz STMHRWBDQMXJJY-GOSISDBHSA-N 1 0 347.506 4.461 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)COCc1ccccc1 ZINC000594921934 1038431458 /nfs/dbraw/zinc/43/14/58/1038431458.db2.gz FEWWUMDXBHWHPW-SFHVURJKSA-N 1 0 334.463 4.184 20 30 EIEDRO CC[C@H](C)c1ccc([C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C(C)C)cc1 ZINC000424062631 1038484660 /nfs/dbraw/zinc/48/46/60/1038484660.db2.gz HIHYFORQMHFYDV-IPELMVKDSA-N 1 0 329.488 4.035 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cccc(C4CC4)c3)CCOCC2)c1 ZINC000594979258 1038484401 /nfs/dbraw/zinc/48/44/01/1038484401.db2.gz HFDRNQVUKCFRJC-UHFFFAOYSA-N 1 0 332.447 4.231 20 30 EIEDRO C=CCc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc(OC)c1O ZINC000594970014 1038485198 /nfs/dbraw/zinc/48/51/98/1038485198.db2.gz RTGHTTZZHUSEAQ-UHFFFAOYSA-N 1 0 336.435 4.026 20 30 EIEDRO C[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000594945310 1038519387 /nfs/dbraw/zinc/51/93/87/1038519387.db2.gz YOKRYUWUFUTPPU-INIZCTEOSA-N 1 0 342.446 4.219 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000424179510 1038674083 /nfs/dbraw/zinc/67/40/83/1038674083.db2.gz YOPIBWPQKQIUDE-GUYCJALGSA-N 1 0 344.436 4.004 20 30 EIEDRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424193987 1038729811 /nfs/dbraw/zinc/72/98/11/1038729811.db2.gz LBTKVPUALLXDFC-PKOBYXMFSA-N 1 0 336.483 4.011 20 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/nfs/dbraw/zinc/85/61/48/1038856148.db2.gz CYHLNQWBKWPROV-KRWDZBQOSA-N 1 0 345.446 4.044 20 30 EIEDRO N#C[C@H]1CCC[C@@H]1[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000462068893 1038890197 /nfs/dbraw/zinc/89/01/97/1038890197.db2.gz XFXVBUMCGGPUFD-UTKZUKDTSA-N 1 0 340.417 4.400 20 30 EIEDRO COc1ccccc1CC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000608833288 1038914264 /nfs/dbraw/zinc/91/42/64/1038914264.db2.gz JQQJTHGHRXTEJC-UHFFFAOYSA-N 1 0 338.426 4.161 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000539296230 1038942048 /nfs/dbraw/zinc/94/20/48/1038942048.db2.gz ZVLIRIOTONZAAL-GOEBONIOSA-N 1 0 330.497 4.262 20 30 EIEDRO N#Cc1cc2c(nc1NC[C@H](c1ccccc1)[NH+]1CCCC1)CCCC2 ZINC000505074449 1038964564 /nfs/dbraw/zinc/96/45/64/1038964564.db2.gz SQPKHOKVTSNLGK-OAQYLSRUSA-N 1 0 346.478 4.081 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)NCC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000539333176 1038980390 /nfs/dbraw/zinc/98/03/90/1038980390.db2.gz WPAKMJXYHWXTPB-INIZCTEOSA-N 1 0 342.405 4.075 20 30 EIEDRO COc1ccc([C@@H](C)CC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000174507494 1038980644 /nfs/dbraw/zinc/98/06/44/1038980644.db2.gz MESONMKJMDHJMV-DLBZAZTESA-N 1 0 338.451 4.269 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000539333583 1038980683 /nfs/dbraw/zinc/98/06/83/1038980683.db2.gz HQJUUZMCENNALF-WIYYLYMNSA-N 1 0 339.866 4.449 20 30 EIEDRO C[C@H](NCc1ccc(C#N)cc1OC(F)F)c1cccc(F)c1F ZINC000539329006 1038991547 /nfs/dbraw/zinc/99/15/47/1038991547.db2.gz XEFDTMHMHJISPW-JTQLQIEISA-N 1 0 338.304 4.289 20 30 EIEDRO COc1cc(CCC2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc(OC)c1 ZINC000555300475 1039037362 /nfs/dbraw/zinc/03/73/62/1039037362.db2.gz KKKDHQOWWNBMLL-OALUTQOASA-N 1 0 342.483 4.041 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(c2cccc(OC)c2)C1)c1ccco1 ZINC000552044571 1039062677 /nfs/dbraw/zinc/06/26/77/1039062677.db2.gz GTWNALNMLBBQQL-APWZRJJASA-N 1 0 326.440 4.164 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000552057178 1039074645 /nfs/dbraw/zinc/07/46/45/1039074645.db2.gz IXVPVMWNZGEYIO-BAGYTPMASA-N 1 0 337.438 4.118 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000552057179 1039076207 /nfs/dbraw/zinc/07/62/07/1039076207.db2.gz IXVPVMWNZGEYIO-CEMLEFRQSA-N 1 0 337.438 4.118 20 30 EIEDRO C=CCCSc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 ZINC000128535226 1039195981 /nfs/dbraw/zinc/19/59/81/1039195981.db2.gz UUWICSCVCZSFKP-LBPRGKRZSA-N 1 0 336.892 4.212 20 30 EIEDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665562 1039266354 /nfs/dbraw/zinc/26/63/54/1039266354.db2.gz YTIYFCAVHLNUES-BEFAXECRSA-N 1 0 339.414 4.177 20 30 EIEDRO C=CC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000111257995 1039308769 /nfs/dbraw/zinc/30/87/69/1039308769.db2.gz YOCKODXYLJXPNP-UHFFFAOYSA-N 1 0 338.238 4.441 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)ncc1Br ZINC000600167795 1039340220 /nfs/dbraw/zinc/34/02/20/1039340220.db2.gz YGOGTUNHMNNYND-ZDUSSCGKSA-N 1 0 344.256 4.217 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000600214135 1039377579 /nfs/dbraw/zinc/37/75/79/1039377579.db2.gz KVZIMSGPSWUSCR-IBGZPJMESA-N 1 0 336.435 4.064 20 30 EIEDRO Cc1ccc([C@H](C)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000600208923 1039385636 /nfs/dbraw/zinc/38/56/36/1039385636.db2.gz RRSXOZJVCBXPLM-GOSISDBHSA-N 1 0 334.463 4.266 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000481429352 1039413140 /nfs/dbraw/zinc/41/31/40/1039413140.db2.gz WMLLPFMBMKQDSO-KPZWWZAWSA-N 1 0 332.806 4.217 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000481429355 1039413564 /nfs/dbraw/zinc/41/35/64/1039413564.db2.gz WMLLPFMBMKQDSO-XIKOKIGWSA-N 1 0 332.806 4.217 20 30 EIEDRO N#Cc1ccccc1OCC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000059931270 1039462620 /nfs/dbraw/zinc/46/26/20/1039462620.db2.gz KWCJEAPIHLJMJA-UHFFFAOYSA-N 1 0 332.403 4.232 20 30 EIEDRO CCN(CC)c1ncc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594520917 1039526660 /nfs/dbraw/zinc/52/66/60/1039526660.db2.gz RKOXYJZWBLESRZ-UHFFFAOYSA-N 1 0 340.496 4.030 20 30 EIEDRO C=CCCOCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000534510083 1039530760 /nfs/dbraw/zinc/53/07/60/1039530760.db2.gz FFRGXZKEJXHBCZ-UHFFFAOYSA-N 1 0 332.425 4.006 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC(OC(C)(C)C)CC2)ccc1OC ZINC000092454419 1039545606 /nfs/dbraw/zinc/54/56/06/1039545606.db2.gz BGUGLBBIGBWOJK-UHFFFAOYSA-N 1 0 347.499 4.430 20 30 EIEDRO C=C[C@H](CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000534605575 1039596318 /nfs/dbraw/zinc/59/63/18/1039596318.db2.gz UYFZRFWDRIKZAF-KNQAVFIVSA-N 1 0 348.490 4.300 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)C1 ZINC000534622618 1039616927 /nfs/dbraw/zinc/61/69/27/1039616927.db2.gz WNGKNLOLUGUQEC-QGZVFWFLSA-N 1 0 347.462 4.237 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000122282525 1039640580 /nfs/dbraw/zinc/64/05/80/1039640580.db2.gz UYOVBFOVWJQGEP-UHFFFAOYSA-N 1 0 326.484 4.217 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1F ZINC000550856493 1039644377 /nfs/dbraw/zinc/64/43/77/1039644377.db2.gz JVJIIUTZVQSUFD-NSHDSACASA-N 1 0 337.320 4.004 20 30 EIEDRO N#CCCn1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000093441839 1039702090 /nfs/dbraw/zinc/70/20/90/1039702090.db2.gz OLUWSPJIPINSPP-RTBURBONSA-N 1 0 334.467 4.086 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H](CCO)c1ccccc1 ZINC000481670229 1039708287 /nfs/dbraw/zinc/70/82/87/1039708287.db2.gz WLUDHKYSVBEXQN-RBBKRZOGSA-N 1 0 334.463 4.082 20 30 EIEDRO C=C[C@@H](CC(=O)NCC1CC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC000534721407 1039750106 /nfs/dbraw/zinc/75/01/06/1039750106.db2.gz LKTXZKPVZZCJFU-FQEVSTJZSA-N 1 0 342.527 4.221 20 30 EIEDRO COc1cccc(NC2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442670929 1039809794 /nfs/dbraw/zinc/80/97/94/1039809794.db2.gz FPZDUAWIXZOKIJ-INIZCTEOSA-N 1 0 335.451 4.204 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C2CCC(CCC)CC2)CC1 ZINC000478613775 1039839013 /nfs/dbraw/zinc/83/90/13/1039839013.db2.gz FGFWJQSYEXBMEP-UHFFFAOYSA-N 1 0 335.536 4.027 20 30 EIEDRO N#Cc1c(F)cccc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534979444 1039873800 /nfs/dbraw/zinc/87/38/00/1039873800.db2.gz CRQFVDPEYQFPQK-UHFFFAOYSA-N 1 0 349.453 4.190 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000442692089 1039880272 /nfs/dbraw/zinc/88/02/72/1039880272.db2.gz MXXKDAWUQOQFHJ-ICSRJNTNSA-N 1 0 325.500 4.207 20 30 EIEDRO CC(C)C[N@H+](CCCC1(C#N)CCOCC1)CCc1ccccc1 ZINC000282084320 1039918279 /nfs/dbraw/zinc/91/82/79/1039918279.db2.gz UTYQGQDCAXEXQP-UHFFFAOYSA-N 1 0 328.500 4.288 20 30 EIEDRO C=CCC[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000435096724 1040067150 /nfs/dbraw/zinc/06/71/50/1040067150.db2.gz XUPISNXGHRKSGW-RAFMOHDBSA-N 1 0 341.499 4.008 20 30 EIEDRO C=CCN1CCC([NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000482253147 1040114326 /nfs/dbraw/zinc/11/43/26/1040114326.db2.gz DTUJUYVTIODFSG-UHFFFAOYSA-N 1 0 327.299 4.166 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000514785582 1040230032 /nfs/dbraw/zinc/23/00/32/1040230032.db2.gz QMMFNPWHPSEENS-SFHVURJKSA-N 1 0 333.907 4.396 20 30 EIEDRO N#CCCC[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000479272930 1040243201 /nfs/dbraw/zinc/24/32/01/1040243201.db2.gz ACUUNVWMSGKVGV-KRWDZBQOSA-N 1 0 329.241 4.432 20 30 EIEDRO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000425368998 1040355372 /nfs/dbraw/zinc/35/53/72/1040355372.db2.gz YVGLPXFMWBGUSL-MRXNPFEDSA-N 1 0 336.435 4.325 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](CC)CSc2ccc(Cl)cc2)CC1 ZINC000482638344 1040402410 /nfs/dbraw/zinc/40/24/10/1040402410.db2.gz ZMUWLENNXNMEQD-INIZCTEOSA-N 1 0 338.948 4.451 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000482653107 1040416035 /nfs/dbraw/zinc/41/60/35/1040416035.db2.gz WQSWSCGREKXTPT-MRXNPFEDSA-N 1 0 342.483 4.441 20 30 EIEDRO C[C@H]1CCC[C@@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000539495178 1040471684 /nfs/dbraw/zinc/47/16/84/1040471684.db2.gz GZHVHLBAZIMTKD-OALUTQOASA-N 1 0 339.527 4.329 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)Cc2ccccc2C(F)(F)F)ccc1C#N ZINC000515097891 1040481598 /nfs/dbraw/zinc/48/15/98/1040481598.db2.gz XJRFBBFOMZQBRO-ZDUSSCGKSA-N 1 0 348.368 4.306 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)Cc2ccccc2C(F)(F)F)ccc1C#N ZINC000515097889 1040482414 /nfs/dbraw/zinc/48/24/14/1040482414.db2.gz XJRFBBFOMZQBRO-CYBMUJFWSA-N 1 0 348.368 4.306 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000539495808 1040486425 /nfs/dbraw/zinc/48/64/25/1040486425.db2.gz FKVQNAMACWTWFW-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551712141 1040531492 /nfs/dbraw/zinc/53/14/92/1040531492.db2.gz DTTUBKNNQOVGGA-UHFFFAOYSA-N 1 0 348.446 4.292 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000435750914 1040585444 /nfs/dbraw/zinc/58/54/44/1040585444.db2.gz OTIBSVNJSGKTLT-BZNIZROVSA-N 1 0 330.255 4.073 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCCC(C)C)c1 ZINC000435735491 1040591169 /nfs/dbraw/zinc/59/11/69/1040591169.db2.gz NJVBBERCPQBZCO-RXVVDRJESA-N 1 0 347.499 4.191 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000435735430 1040591229 /nfs/dbraw/zinc/59/12/29/1040591229.db2.gz MUFDULDASHKJGH-SWLSCSKDSA-N 1 0 331.790 4.012 20 30 EIEDRO C=CCC[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000553864839 1040594699 /nfs/dbraw/zinc/59/46/99/1040594699.db2.gz ALZQDTIUHRFQQV-RXVVDRJESA-N 1 0 340.511 4.069 20 30 EIEDRO C=CCC[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000435763256 1040601304 /nfs/dbraw/zinc/60/13/04/1040601304.db2.gz QIUJWBFPPFEPBD-WOJBJXKFSA-N 1 0 343.515 4.210 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000539606434 1040603146 /nfs/dbraw/zinc/60/31/46/1040603146.db2.gz GUSVLMQSLLWXQE-GJZGRUSLSA-N 1 0 326.415 4.235 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539607276 1040604211 /nfs/dbraw/zinc/60/42/11/1040604211.db2.gz INWJFMRATPBVPX-OXQOHEQNSA-N 1 0 337.442 4.013 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)cc1OC ZINC000435790269 1040621183 /nfs/dbraw/zinc/62/11/83/1040621183.db2.gz LDYJSHGAJNDHPZ-QAQDUYKDSA-N 1 0 341.426 4.435 20 30 EIEDRO Fc1cc(F)cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000539704015 1040712949 /nfs/dbraw/zinc/71/29/49/1040712949.db2.gz CSRAHOVPXHSHPI-UHFFFAOYSA-N 1 0 325.280 4.125 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1Cl ZINC000537725739 1040776218 /nfs/dbraw/zinc/77/62/18/1040776218.db2.gz YVHHLLTZVFLSLN-CRAIPNDOSA-N 1 0 345.874 4.184 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1Cl ZINC000539819070 1040814718 /nfs/dbraw/zinc/81/47/18/1040814718.db2.gz KEVQREGJYMCIRN-LJQANCHMSA-N 1 0 335.875 4.297 20 30 EIEDRO C=CCOc1cccc(C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)c1 ZINC000483329591 1040824573 /nfs/dbraw/zinc/82/45/73/1040824573.db2.gz FSQHUZNZSVDLCB-UHFFFAOYSA-N 1 0 339.435 4.130 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(OC)cc2)cc1 ZINC000537868731 1040861598 /nfs/dbraw/zinc/86/15/98/1040861598.db2.gz NOBMDSRPMAIMPU-HRAATJIYSA-N 1 0 341.451 4.126 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000160968963 1040891391 /nfs/dbraw/zinc/89/13/91/1040891391.db2.gz GZFQSDZLPHRJTN-SFHVURJKSA-N 1 0 325.481 4.265 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](OC)c1cccc(Cl)c1 ZINC000462756891 1040905027 /nfs/dbraw/zinc/90/50/27/1040905027.db2.gz RGKMTLKYRUCKSZ-LJQANCHMSA-N 1 0 331.843 4.382 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000537957678 1040926899 /nfs/dbraw/zinc/92/68/99/1040926899.db2.gz QJWKNRARDRVGKV-SOUVJXGZSA-N 1 0 329.406 4.047 20 30 EIEDRO Cc1nsc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000515657511 1040931425 /nfs/dbraw/zinc/93/14/25/1040931425.db2.gz WMIJFKDRYHNALF-PBHICJAKSA-N 1 0 340.496 4.036 20 30 EIEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539972962 1040952668 /nfs/dbraw/zinc/95/26/68/1040952668.db2.gz CBOPXRUTQRORGF-STQMWFEESA-N 1 0 348.899 4.410 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)ccc1OC ZINC000480123524 1040978203 /nfs/dbraw/zinc/97/82/03/1040978203.db2.gz KVSLJZKWIBTMBE-YLJYHZDGSA-N 1 0 347.499 4.333 20 30 EIEDRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]CC(C)(C)CCC#N ZINC000538003473 1040980952 /nfs/dbraw/zinc/98/09/52/1040980952.db2.gz XDKPCAYJZLNNPD-LBPRGKRZSA-N 1 0 341.268 4.439 20 30 EIEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]CC(C)(C)CCC#N ZINC000538003471 1040983611 /nfs/dbraw/zinc/98/36/11/1040983611.db2.gz XDKPCAYJZLNNPD-GFCCVEGCSA-N 1 0 341.268 4.439 20 30 EIEDRO Oc1cccc2c1CCC[C@@H]2[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000462814762 1040986768 /nfs/dbraw/zinc/98/67/68/1040986768.db2.gz PWDURAWMGKHSQD-SFHVURJKSA-N 1 0 345.364 4.430 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000436283214 1041026829 /nfs/dbraw/zinc/02/68/29/1041026829.db2.gz LDOQJVZKBBYMFQ-ZVZYQTTQSA-N 1 0 339.426 4.180 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000436282249 1041027533 /nfs/dbraw/zinc/02/75/33/1041027533.db2.gz HDTFWHOEFBKDEO-JQFCIGGWSA-N 1 0 336.273 4.007 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000436289491 1041052292 /nfs/dbraw/zinc/05/22/92/1041052292.db2.gz XMQJFEIAEYPMTE-INWMFGNUSA-N 1 0 329.362 4.217 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000436289295 1041054338 /nfs/dbraw/zinc/05/43/38/1041054338.db2.gz MMHFVHLQCAMAJZ-AHIWAGSCSA-N 1 0 328.283 4.495 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000436293213 1041058828 /nfs/dbraw/zinc/05/88/28/1041058828.db2.gz DEGMROANPFBMOZ-QRTARXTBSA-N 1 0 343.389 4.260 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000436301953 1041070847 /nfs/dbraw/zinc/07/08/47/1041070847.db2.gz PUCZWOJQESHVJO-SYNHAJSKSA-N 1 0 333.472 4.116 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1C(F)(F)F ZINC000436306210 1041074784 /nfs/dbraw/zinc/07/47/84/1041074784.db2.gz HMMAOLYBDCXXSR-LXZKKBNFSA-N 1 0 327.390 4.207 20 30 EIEDRO C[N@H+](CCC(=O)N[C@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000554398375 1041082636 /nfs/dbraw/zinc/08/26/36/1041082636.db2.gz FKXDRUXJKMHCLH-HXUWFJFHSA-N 1 0 341.499 4.192 20 30 EIEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC000538148582 1041115403 /nfs/dbraw/zinc/11/54/03/1041115403.db2.gz WJDCHMRVZJRZBL-HNNXBMFYSA-N 1 0 326.415 4.159 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2)cc1 ZINC000484084983 1041118912 /nfs/dbraw/zinc/11/89/12/1041118912.db2.gz TVUSEXLVGSWUBA-QGZVFWFLSA-N 1 0 325.477 4.127 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000538222957 1041180548 /nfs/dbraw/zinc/18/05/48/1041180548.db2.gz FINXADSVZRBZPG-GHTZIAJQSA-N 1 0 339.866 4.449 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc2c(c1)COC2 ZINC000540171416 1041217321 /nfs/dbraw/zinc/21/73/21/1041217321.db2.gz VOWHMMWMYCQLPQ-OAHLLOKOSA-N 1 0 338.476 4.172 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccsc3Cl)C2)c(F)c1 ZINC000480343067 1041234413 /nfs/dbraw/zinc/23/44/13/1041234413.db2.gz KMOTUJHELNBJMQ-AWEZNQCLSA-N 1 0 349.862 4.171 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000538280713 1041237336 /nfs/dbraw/zinc/23/73/36/1041237336.db2.gz YGIDIJBFSDANOD-GFCCVEGCSA-N 1 0 345.805 4.030 20 30 EIEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000538380388 1041289476 /nfs/dbraw/zinc/28/94/76/1041289476.db2.gz SZWAOSJVOUREIY-LBPRGKRZSA-N 1 0 349.297 4.493 20 30 EIEDRO C[C@H]([NH2+]Cc1ccnc(OCc2ccccc2)c1)c1cccc(C#N)c1 ZINC000538398729 1041297074 /nfs/dbraw/zinc/29/70/74/1041297074.db2.gz UKSQVHRQNCXPAI-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1)CC1CCCCC1 ZINC000484540353 1041319770 /nfs/dbraw/zinc/31/97/70/1041319770.db2.gz GIRBHSQJRCEIEK-UHFFFAOYSA-N 1 0 330.472 4.092 20 30 EIEDRO CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(Cl)cc1C#N ZINC000480495087 1041334487 /nfs/dbraw/zinc/33/44/87/1041334487.db2.gz AVGXWESNZQCMFN-UHFFFAOYSA-N 1 0 336.769 4.445 20 30 EIEDRO CCN(Cc1ccc(OC)c(OC)c1)Cc1ccc(Cl)cc1C#N ZINC000480523164 1041355759 /nfs/dbraw/zinc/35/57/59/1041355759.db2.gz OIAKHNZKMLGUER-UHFFFAOYSA-N 1 0 344.842 4.251 20 30 EIEDRO C[C@H]([NH2+]Cc1csc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000538508533 1041396692 /nfs/dbraw/zinc/39/66/92/1041396692.db2.gz RJHFLOCZVCEIPS-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]CC2(C#N)CC2)cc1 ZINC000484628219 1041378135 /nfs/dbraw/zinc/37/81/35/1041378135.db2.gz MKKPRUOBGQMUSH-MOPGFXCFSA-N 1 0 328.456 4.059 20 30 EIEDRO C=CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)CC1CCCCC1 ZINC000484629753 1041378272 /nfs/dbraw/zinc/37/82/72/1041378272.db2.gz LPBZZGHOBRBQJJ-UHFFFAOYSA-N 1 0 329.419 4.444 20 30 EIEDRO C=CC[N@H+](CCC(=O)N1CCc2sccc2C1)CC1CCCCC1 ZINC000484630712 1041378489 /nfs/dbraw/zinc/37/84/89/1041378489.db2.gz PXXVCODNMIZMOU-UHFFFAOYSA-N 1 0 346.540 4.091 20 30 EIEDRO C=CC[N@@H+](CCOC)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000484665003 1041394285 /nfs/dbraw/zinc/39/42/85/1041394285.db2.gz RINMOSPLRDMPOW-KRWDZBQOSA-N 1 0 338.451 4.134 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000538507299 1041394251 /nfs/dbraw/zinc/39/42/51/1041394251.db2.gz UTOPPFCBVHEJPQ-JQFCIGGWSA-N 1 0 327.390 4.116 20 30 EIEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(C#N)c(F)c1 ZINC000538507538 1041396717 /nfs/dbraw/zinc/39/67/17/1041396717.db2.gz MIYAGBXQUMQEAU-INIZCTEOSA-N 1 0 338.426 4.096 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)c1ccc(C#N)c(F)c1 ZINC000538511199 1041398243 /nfs/dbraw/zinc/39/82/43/1041398243.db2.gz QZGKCAQFUONZEI-UONOGXRCSA-N 1 0 340.398 4.098 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3cccc(Cl)c3)CCCC2)n1 ZINC000516119770 1041408108 /nfs/dbraw/zinc/40/81/08/1041408108.db2.gz UJMYTTZTDOKHLN-UHFFFAOYSA-N 1 0 331.872 4.270 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cc1OC ZINC000540390805 1041424127 /nfs/dbraw/zinc/42/41/27/1041424127.db2.gz UTRXFWRIFXTJDA-OAHLLOKOSA-N 1 0 343.854 4.368 20 30 EIEDRO Clc1ccccc1C#CC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000540396678 1041440690 /nfs/dbraw/zinc/44/06/90/1041440690.db2.gz FRRMXNCSVLXNCD-AZUAARDMSA-N 1 0 325.839 4.059 20 30 EIEDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCc1cccc(C#N)c1 ZINC000516171762 1041440776 /nfs/dbraw/zinc/44/07/76/1041440776.db2.gz TZPSCAUOEQYDPF-PTNGSMBKSA-N 1 0 342.389 4.395 20 30 EIEDRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCc1cccc(C#N)c1 ZINC000516171763 1041441300 /nfs/dbraw/zinc/44/13/00/1041441300.db2.gz TZPSCAUOEQYDPF-RVDMUPIBSA-N 1 0 342.389 4.395 20 30 EIEDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1C ZINC000463237231 1041445067 /nfs/dbraw/zinc/44/50/67/1041445067.db2.gz LIRXBWNZEKSVBC-LQWHRVPQSA-N 1 0 339.527 4.185 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000463243228 1041449452 /nfs/dbraw/zinc/44/94/52/1041449452.db2.gz BBENRCKLALYUBM-LSTHTHJFSA-N 1 0 333.435 4.038 20 30 EIEDRO COC1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCCC1 ZINC000480667705 1041460289 /nfs/dbraw/zinc/46/02/89/1041460289.db2.gz SBZYHSYPSVHTHR-UHFFFAOYSA-N 1 0 326.484 4.329 20 30 EIEDRO C[C@H]([NH2+]Cc1ncccc1O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000554860797 1041460622 /nfs/dbraw/zinc/46/06/22/1041460622.db2.gz GFNOMNNKEMDYSN-HNNXBMFYSA-N 1 0 329.403 4.177 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1OCCC(C)C ZINC000463280187 1041469601 /nfs/dbraw/zinc/46/96/01/1041469601.db2.gz BYDKPNFXTXDVQS-AEFFLSMTSA-N 1 0 330.472 4.292 20 30 EIEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1 ZINC000463280245 1041469784 /nfs/dbraw/zinc/46/97/84/1041469784.db2.gz CRXFTBLMUOQBNX-CZUORRHYSA-N 1 0 335.289 4.399 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000463283793 1041472829 /nfs/dbraw/zinc/47/28/29/1041472829.db2.gz QGDNFQZHSBAYFB-LEWJYISDSA-N 1 0 334.463 4.480 20 30 EIEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc(Br)c1 ZINC000463300607 1041483057 /nfs/dbraw/zinc/48/30/57/1041483057.db2.gz KGFOOFVPKDZXEL-XJKSGUPXSA-N 1 0 335.289 4.399 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000463301265 1041485137 /nfs/dbraw/zinc/48/51/37/1041485137.db2.gz OWJHRKCHWBELBD-RKVPGOIHSA-N 1 0 349.881 4.288 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000538734358 1041503272 /nfs/dbraw/zinc/50/32/72/1041503272.db2.gz STUVGKPNIODOCS-MRXNPFEDSA-N 1 0 333.907 4.349 20 30 EIEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000538751761 1041529208 /nfs/dbraw/zinc/52/92/08/1041529208.db2.gz LYHDWGVWTNYDIM-FQEVSTJZSA-N 1 0 337.463 4.290 20 30 EIEDRO CC(C)CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000325692027 1041533368 /nfs/dbraw/zinc/53/33/68/1041533368.db2.gz NRJLHOYMDPVFIO-UHFFFAOYSA-N 1 0 327.472 4.178 20 30 EIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]2CCO[C@H]21 ZINC000540609728 1041562650 /nfs/dbraw/zinc/56/26/50/1041562650.db2.gz YOONVFHDSXSXJP-PWRODBHTSA-N 1 0 332.447 4.128 20 30 EIEDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000538957150 1041590307 /nfs/dbraw/zinc/59/03/07/1041590307.db2.gz OXGMZCUZKRQOQO-KBPBESRZSA-N 1 0 345.512 4.090 20 30 EIEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CCC(C)(C)C#N)cc1OC ZINC000540663777 1041593073 /nfs/dbraw/zinc/59/30/73/1041593073.db2.gz CLUXLFVVAYAKJG-SFHVURJKSA-N 1 0 344.499 4.431 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)c(F)c1 ZINC000540707836 1041607446 /nfs/dbraw/zinc/60/74/46/1041607446.db2.gz AQYMNIGWBQOXIC-GUYCJALGSA-N 1 0 343.833 4.280 20 30 EIEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437108576 1041652519 /nfs/dbraw/zinc/65/25/19/1041652519.db2.gz UAXHNWTYQZWZMX-WZOJCFFYSA-N 1 0 327.472 4.058 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000437109865 1041653267 /nfs/dbraw/zinc/65/32/67/1041653267.db2.gz KAGWQUOYDNYZQB-GRERDSQWSA-N 1 0 347.462 4.310 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c(C(F)(F)F)c1 ZINC000516605978 1041664548 /nfs/dbraw/zinc/66/45/48/1041664548.db2.gz ZXQHAXSTSNHXBD-GOSISDBHSA-N 1 0 346.352 4.363 20 30 EIEDRO C=CCC[C@H](CCC)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000540787825 1041671012 /nfs/dbraw/zinc/67/10/12/1041671012.db2.gz NFLJEUJQCOWSFL-KRWDZBQOSA-N 1 0 330.520 4.159 20 30 EIEDRO Cc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1Br ZINC000516690435 1041709795 /nfs/dbraw/zinc/70/97/95/1041709795.db2.gz OEUSUTQLOIRUAD-QGZVFWFLSA-N 1 0 341.252 4.406 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccccc1F ZINC000506022476 1041745283 /nfs/dbraw/zinc/74/52/83/1041745283.db2.gz UREKIZUBKPRYKH-UHFFFAOYSA-N 1 0 327.428 4.466 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000540988839 1041768354 /nfs/dbraw/zinc/76/83/54/1041768354.db2.gz JEIOFSMUNQQSPY-HNNXBMFYSA-N 1 0 333.419 4.292 20 30 EIEDRO C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000516900108 1041806672 /nfs/dbraw/zinc/80/66/72/1041806672.db2.gz XWCXCKAFQJTVES-LAUBAEHRSA-N 1 0 347.462 4.012 20 30 EIEDRO C[C@H](CNc1cccc(Cl)c1C#N)[N@@H+]1CCc2sccc2C1 ZINC000506052291 1041807927 /nfs/dbraw/zinc/80/79/27/1041807927.db2.gz SLRMANFJYZVMKO-GFCCVEGCSA-N 1 0 331.872 4.132 20 30 EIEDRO C[C@H](Cc1ccsc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000541221619 1041857055 /nfs/dbraw/zinc/85/70/55/1041857055.db2.gz UQMMMAYBYNXRHM-OAHLLOKOSA-N 1 0 326.465 4.094 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000541348531 1041899463 /nfs/dbraw/zinc/89/94/63/1041899463.db2.gz QIBVSGZNJZAJIH-RBUKOAKNSA-N 1 0 342.483 4.270 20 30 EIEDRO Cc1cccc(OCC[N@@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000506153492 1041944631 /nfs/dbraw/zinc/94/46/31/1041944631.db2.gz PVJQXYKHLXLWPB-UHFFFAOYSA-N 1 0 338.451 4.188 20 30 EIEDRO CC#CCCCC(=O)Nc1ccc2c(ccn2CC[NH+](CC)CC)c1 ZINC000464444407 1042020124 /nfs/dbraw/zinc/02/01/24/1042020124.db2.gz JMUOSRORMXICSF-UHFFFAOYSA-N 1 0 339.483 4.115 20 30 EIEDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000541613987 1042036868 /nfs/dbraw/zinc/03/68/68/1042036868.db2.gz WGIALBRDMIUPAV-DZGCQCFKSA-N 1 0 344.503 4.054 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCOc2cc(C)cc(C)c2)cc1OC ZINC000517534617 1042069145 /nfs/dbraw/zinc/06/91/45/1042069145.db2.gz XQEHAVDHOAGHEP-UHFFFAOYSA-N 1 0 341.451 4.045 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](COc2ccccc2)c2ccccc2)cc1 ZINC000517559106 1042073050 /nfs/dbraw/zinc/07/30/50/1042073050.db2.gz ROONATLJPNCRQF-QFIPXVFZSA-N 1 0 328.415 4.468 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000464644195 1042095653 /nfs/dbraw/zinc/09/56/53/1042095653.db2.gz QRWOIGWQMCIBDN-SFHVURJKSA-N 1 0 328.500 4.281 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCCSC2)c1 ZINC000517603305 1042098651 /nfs/dbraw/zinc/09/86/51/1042098651.db2.gz ADFWSNGVTCBZMF-IBGZPJMESA-N 1 0 338.476 4.122 20 30 EIEDRO CC[C@]1(C)CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000464771317 1042149720 /nfs/dbraw/zinc/14/97/20/1042149720.db2.gz DDNZJWAAPDJTLZ-OAQYLSRUSA-N 1 0 341.499 4.062 20 30 EIEDRO CCCCCOc1cc(C[NH+]2CCC(CC#N)CC2)ccc1OC ZINC000541921024 1042174590 /nfs/dbraw/zinc/17/45/90/1042174590.db2.gz UJLVRGPQVRFFTJ-UHFFFAOYSA-N 1 0 330.472 4.390 20 30 EIEDRO CN(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1F ZINC000506230494 1042176872 /nfs/dbraw/zinc/17/68/72/1042176872.db2.gz CJEDXKZKVRGEMG-UHFFFAOYSA-N 1 0 338.304 4.228 20 30 EIEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)cc1C#N ZINC000383073382 1042216225 /nfs/dbraw/zinc/21/62/25/1042216225.db2.gz QPXHDFSTEBJVSD-KRWDZBQOSA-N 1 0 339.870 4.170 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)cc1C#N ZINC000266188221 1042298867 /nfs/dbraw/zinc/29/88/67/1042298867.db2.gz IAZJJWAQYPSMKF-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC(c4ccccc4)C3)C2)c(F)c1 ZINC000542177344 1042329289 /nfs/dbraw/zinc/32/92/89/1042329289.db2.gz SXFSRTKPGUMAMW-IOJLRTSASA-N 1 0 349.453 4.202 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC(c4ccccc4)C3)C2)c(F)c1 ZINC000542177342 1042329819 /nfs/dbraw/zinc/32/98/19/1042329819.db2.gz SXFSRTKPGUMAMW-GPJFCIFZSA-N 1 0 349.453 4.202 20 30 EIEDRO C=CCc1cc(C[N@@H+](CC)[C@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000509558491 1042379076 /nfs/dbraw/zinc/37/90/76/1042379076.db2.gz PQOKUPSPVRAYEK-OAHLLOKOSA-N 1 0 341.451 4.418 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C)cc1OC[C@H]1CCOC1)C1CC1 ZINC000438981006 1042450773 /nfs/dbraw/zinc/45/07/73/1042450773.db2.gz TVZLDXFUXYQUJV-FXAWDEMLSA-N 1 0 329.484 4.245 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCCCC(F)(F)C3)CC2)cc1 ZINC000491550650 1042469857 /nfs/dbraw/zinc/46/98/57/1042469857.db2.gz YKNFXSCRTIIINF-QGZVFWFLSA-N 1 0 347.453 4.332 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]C3CC(c4ccccc4)C3)CC2)cc1 ZINC000271885231 1042484245 /nfs/dbraw/zinc/48/42/45/1042484245.db2.gz QQQPFXOUVKXJMY-UHFFFAOYSA-N 1 0 345.490 4.058 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1cccc(OC)c1)N1CCCC1)C1CC1 ZINC000439073612 1042485474 /nfs/dbraw/zinc/48/54/74/1042485474.db2.gz AFTQWOQDRPJZJG-SFTDATJTSA-N 1 0 328.500 4.167 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1ccccc1OC)N1CCCC1)C1CC1 ZINC000439075742 1042487012 /nfs/dbraw/zinc/48/70/12/1042487012.db2.gz HHLSMUNMOVSKNA-PMACEKPBSA-N 1 0 328.500 4.167 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccccc2CO)cc1 ZINC000151811932 1042502463 /nfs/dbraw/zinc/50/24/63/1042502463.db2.gz DWFVOWHZAAOULW-OAHLLOKOSA-N 1 0 331.843 4.161 20 30 EIEDRO CC(C)c1nnc(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000426291941 1042524169 /nfs/dbraw/zinc/52/41/69/1042524169.db2.gz CYNVXFMDVCKBCM-KRWDZBQOSA-N 1 0 340.496 4.133 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)c(F)c1 ZINC000271940099 1042534140 /nfs/dbraw/zinc/53/41/40/1042534140.db2.gz LMBSQKAJGPOOOO-DNVCBOLYSA-N 1 0 340.442 4.150 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H]1OCCc2sccc21 ZINC000426313626 1042549943 /nfs/dbraw/zinc/54/99/43/1042549943.db2.gz NJMYIJDFNHWHOO-VNBZBWLYSA-N 1 0 330.428 4.112 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000518512953 1042556819 /nfs/dbraw/zinc/55/68/19/1042556819.db2.gz HYLVOFFCMDPOES-UHFFFAOYSA-N 1 0 342.270 4.155 20 30 EIEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000518603000 1042590367 /nfs/dbraw/zinc/59/03/67/1042590367.db2.gz AZMJULPWYWGLTJ-OAQYLSRUSA-N 1 0 336.479 4.401 20 30 EIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000518619371 1042594931 /nfs/dbraw/zinc/59/49/31/1042594931.db2.gz RWEYCHRARNTCJM-UHFFFAOYSA-N 1 0 343.421 4.060 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(CCCn3ccnc3)CC2)c(Cl)c1 ZINC000439423653 1042616056 /nfs/dbraw/zinc/61/60/56/1042616056.db2.gz PVXJDHCFPOUNSJ-UHFFFAOYSA-N 1 0 342.874 4.101 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000439466931 1042642010 /nfs/dbraw/zinc/64/20/10/1042642010.db2.gz IFOANBYWEKFGPZ-CQSZACIVSA-N 1 0 342.464 4.018 20 30 EIEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443960155 1042686284 /nfs/dbraw/zinc/68/62/84/1042686284.db2.gz CELNPUSPNCCPCZ-UHFFFAOYSA-N 1 0 344.462 4.083 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(Br)cc2C)ccc1C#N ZINC000443966385 1042702413 /nfs/dbraw/zinc/70/24/13/1042702413.db2.gz XPFWYPIAWNOORT-UHFFFAOYSA-N 1 0 329.241 4.227 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1cc(Br)ccc1F ZINC000174835352 1042715599 /nfs/dbraw/zinc/71/55/99/1042715599.db2.gz WIHCDQPZEUFMFO-UHFFFAOYSA-N 1 0 327.241 4.350 20 30 EIEDRO Cc1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)ccc1C#N ZINC000443992070 1042728014 /nfs/dbraw/zinc/72/80/14/1042728014.db2.gz VYNKOWWTWAKQCY-UHFFFAOYSA-N 1 0 345.446 4.218 20 30 EIEDRO C=CCCCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000175594507 1042767897 /nfs/dbraw/zinc/76/78/97/1042767897.db2.gz ORJIUILBUQFYQW-UHFFFAOYSA-N 1 0 334.891 4.025 20 30 EIEDRO CC(C)C[C@@H](CNC(=O)c1cccc(C#N)c1)[NH2+][C@H](C)c1ccccc1 ZINC000518985753 1042782249 /nfs/dbraw/zinc/78/22/49/1042782249.db2.gz WTIXHXOTRGYQRH-UTKZUKDTSA-N 1 0 349.478 4.054 20 30 EIEDRO CCCC[C@H](C)[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000519035667 1042798484 /nfs/dbraw/zinc/79/84/84/1042798484.db2.gz BGYWEIIXGIGEEJ-KRWDZBQOSA-N 1 0 329.488 4.061 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000310459527 1042838276 /nfs/dbraw/zinc/83/82/76/1042838276.db2.gz PYXZRAPPMUFPLB-OAQYLSRUSA-N 1 0 336.479 4.006 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000322985575 1042838942 /nfs/dbraw/zinc/83/89/42/1042838942.db2.gz XFZPTLQBVRVUMU-BHIYHBOVSA-N 1 0 332.875 4.117 20 30 EIEDRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177852044 1042852552 /nfs/dbraw/zinc/85/25/52/1042852552.db2.gz BQOBZOZFKZJPKZ-HOTGVXAUSA-N 1 0 347.528 4.245 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cnc(C3CC3)s2)cc(OC)c1OC ZINC000134288409 1042887276 /nfs/dbraw/zinc/88/72/76/1042887276.db2.gz VTYNIEXYPOZFJR-UHFFFAOYSA-N 1 0 344.480 4.056 20 30 EIEDRO CCCOc1c(C[NH2+]Cc2ccc(CC#N)cc2)cccc1OCC ZINC000520580818 1042901801 /nfs/dbraw/zinc/90/18/01/1042901801.db2.gz OLTIFZGZTRQURL-UHFFFAOYSA-N 1 0 338.451 4.230 20 30 EIEDRO COc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3ccccc3C)C2)cc1Cl ZINC000262126518 1042998808 /nfs/dbraw/zinc/99/88/08/1042998808.db2.gz KCZCSODOODFDOY-CTYIDZIISA-N 1 0 343.858 4.330 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000487399098 1043045091 /nfs/dbraw/zinc/04/50/91/1043045091.db2.gz QZBADZFDRQVDQD-UTKZUKDTSA-N 1 0 334.463 4.450 20 30 EIEDRO C=C(C)[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000184840998 1043133882 /nfs/dbraw/zinc/13/38/82/1043133882.db2.gz ABGAUIZIKUKUNU-IBGZPJMESA-N 1 0 344.405 4.074 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000076737478 1043142153 /nfs/dbraw/zinc/14/21/53/1043142153.db2.gz LLYVAGPBACAOLS-UHFFFAOYSA-N 1 0 332.469 4.225 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C(C)(C)c1cccs1 ZINC000543506422 1043172170 /nfs/dbraw/zinc/17/21/70/1043172170.db2.gz RRNLKUVGWPWSSM-CQSZACIVSA-N 1 0 348.537 4.238 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000185495488 1043191407 /nfs/dbraw/zinc/19/14/07/1043191407.db2.gz DAFJFGGTGFCSHV-INIZCTEOSA-N 1 0 348.918 4.271 20 30 EIEDRO C=CC[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000427772513 1043194837 /nfs/dbraw/zinc/19/48/37/1043194837.db2.gz VJNAABVSXBYDPI-COPCDDAFSA-N 1 0 348.490 4.126 20 30 EIEDRO Cc1nc(-c2ccc(CC[NH2+][C@H]3CCC[C@@H](C#N)C3)s2)cs1 ZINC000185762463 1043218845 /nfs/dbraw/zinc/21/88/45/1043218845.db2.gz AYMNBYOIDBYRBJ-KGLIPLIRSA-N 1 0 331.510 4.395 20 30 EIEDRO Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H](C#N)C3)s2)cs1 ZINC000185762442 1043218907 /nfs/dbraw/zinc/21/89/07/1043218907.db2.gz AYMNBYOIDBYRBJ-ZIAGYGMSSA-N 1 0 331.510 4.395 20 30 EIEDRO COc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1OC1CCCC1 ZINC000185824514 1043221784 /nfs/dbraw/zinc/22/17/84/1043221784.db2.gz NHCJIUORTBDOTN-RDJZCZTQSA-N 1 0 328.456 4.189 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000185827272 1043222491 /nfs/dbraw/zinc/22/24/91/1043222491.db2.gz JTCPORZEMKFVCT-WMZOPIPTSA-N 1 0 330.435 4.402 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000508081203 1043262250 /nfs/dbraw/zinc/26/22/50/1043262250.db2.gz XFADKWCKWMPYMH-FQEVSTJZSA-N 1 0 340.467 4.080 20 30 EIEDRO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000323087209 1043289167 /nfs/dbraw/zinc/28/91/67/1043289167.db2.gz IMLFKVYHSDWTDY-AWEZNQCLSA-N 1 0 328.843 4.283 20 30 EIEDRO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)CCO2 ZINC000922013035 1043303941 /nfs/dbraw/zinc/30/39/41/1043303941.db2.gz OPKWVKJOZGMMKA-HXUWFJFHSA-N 1 0 336.435 4.187 20 30 EIEDRO C=CCC[C@H](C(=O)NCc1ccccc1C[NH+](C)C)c1ccccc1 ZINC000188890557 1043381266 /nfs/dbraw/zinc/38/12/66/1043381266.db2.gz DLNKRCWZKDZXOF-NRFANRHFSA-N 1 0 336.479 4.114 20 30 EIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1C(F)(F)F ZINC000499604328 1043402370 /nfs/dbraw/zinc/40/23/70/1043402370.db2.gz CXXCRNFJPOCBBU-CQSZACIVSA-N 1 0 340.389 4.457 20 30 EIEDRO N#Cc1cccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c1 ZINC000171146918 1043460926 /nfs/dbraw/zinc/46/09/26/1043460926.db2.gz ZPQYNCMYGSDVNG-UHFFFAOYSA-N 1 0 327.431 4.198 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000494505722 1043505570 /nfs/dbraw/zinc/50/55/70/1043505570.db2.gz PFCNXSCGAHDNQI-MSOLQXFVSA-N 1 0 347.245 4.485 20 30 EIEDRO CC(=NNc1ccc(Cl)nc1)c1ccc(-n2ccnc2C)cc1 ZINC000751530527 1043507871 /nfs/dbraw/zinc/50/78/71/1043507871.db2.gz YLZPJGMXUWCOQA-UHFFFAOYSA-N 1 0 325.803 4.065 20 30 EIEDRO Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CC#Cc2cccc(Cl)c2)cc1 ZINC000494478470 1043510460 /nfs/dbraw/zinc/51/04/60/1043510460.db2.gz VTRZPSUENFYUJN-MOPGFXCFSA-N 1 0 346.257 4.465 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(OC)c(Cl)c2)cc(OC)c1O ZINC000132223490 1043534467 /nfs/dbraw/zinc/53/44/67/1043534467.db2.gz UMIBPZQGFVIDON-UHFFFAOYSA-N 1 0 347.842 4.081 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2CCC(C#N)CC2)c(Cl)c1 ZINC000282331056 1043619610 /nfs/dbraw/zinc/61/96/10/1043619610.db2.gz ODOHMOMJMZVCDZ-QQFBHYJXSA-N 1 0 347.890 4.285 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000171630482 1043633740 /nfs/dbraw/zinc/63/37/40/1043633740.db2.gz WQHLHSIJKZXXEV-FQEVSTJZSA-N 1 0 342.446 4.328 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C#N)c1 ZINC000171659602 1043643718 /nfs/dbraw/zinc/64/37/18/1043643718.db2.gz BSVMPESTTYHFBS-UHFFFAOYSA-N 1 0 330.435 4.013 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](CCO)c1ccccc1 ZINC000521321824 1043709590 /nfs/dbraw/zinc/70/95/90/1043709590.db2.gz JPSCYTYXLVOENT-GOSISDBHSA-N 1 0 348.368 4.133 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000521323336 1043711097 /nfs/dbraw/zinc/71/10/97/1043711097.db2.gz MYDSWEVQOWUYGV-PZJWPPBQSA-N 1 0 328.500 4.007 20 30 EIEDRO C=C(C)CC[NH2+][C@@H]1CCN(C)[C@@H](c2ccc(Br)cc2)C1 ZINC000639225918 1043728810 /nfs/dbraw/zinc/72/88/10/1043728810.db2.gz BAYWGEDTVLEOEV-IAGOWNOFSA-N 1 0 337.305 4.140 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000039307003 1043745864 /nfs/dbraw/zinc/74/58/64/1043745864.db2.gz LGCYMVPYGCZZOI-UHFFFAOYSA-N 1 0 326.827 4.255 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000542487928 1043800554 /nfs/dbraw/zinc/80/05/54/1043800554.db2.gz CVJLAQMSDDBHJM-LBPRGKRZSA-N 1 0 328.909 4.083 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+](CC)CCC ZINC000191462512 1043818957 /nfs/dbraw/zinc/81/89/57/1043818957.db2.gz SIVVSXUYURKELL-UHFFFAOYSA-N 1 0 331.504 4.392 20 30 EIEDRO Cc1nc(COc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)cs1 ZINC000066972006 1043838422 /nfs/dbraw/zinc/83/84/22/1043838422.db2.gz GUKLNXBIUAKNAF-UHFFFAOYSA-N 1 0 349.459 4.192 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2ccc(C(C)C)cc2)CC1 ZINC000521572172 1043840154 /nfs/dbraw/zinc/84/01/54/1043840154.db2.gz PBGQVNROXZVSAH-UHFFFAOYSA-N 1 0 346.540 4.059 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000442823394 1043849425 /nfs/dbraw/zinc/84/94/25/1043849425.db2.gz FGCIGRRYDQMXQV-DOMZBBRYSA-N 1 0 331.872 4.288 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)C1 ZINC000442827950 1043851416 /nfs/dbraw/zinc/85/14/16/1043851416.db2.gz QKYNQNKRCVZSIF-SZVBFZGTSA-N 1 0 325.843 4.301 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1OCC ZINC000442864221 1043866194 /nfs/dbraw/zinc/86/61/94/1043866194.db2.gz FRTRYSUMMQKDGF-GTPINHCMSA-N 1 0 330.472 4.465 20 30 EIEDRO CC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)Oc1ccccc1C(F)(F)F ZINC000442863359 1043867223 /nfs/dbraw/zinc/86/72/23/1043867223.db2.gz CNHAQUJEVWDLGZ-BFHYXJOUSA-N 1 0 326.362 4.145 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)C1 ZINC000442865708 1043869332 /nfs/dbraw/zinc/86/93/32/1043869332.db2.gz GFNGXPPSZGAUQF-ABAIWWIYSA-N 1 0 326.337 4.158 20 30 EIEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)Sc1ccc(Br)cc1 ZINC000442872960 1043871690 /nfs/dbraw/zinc/87/16/90/1043871690.db2.gz OGWWBRIWNFFTGX-DYEKYZERSA-N 1 0 339.302 4.212 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](c2cnn(C)c2)C(C)C)cc1Cl ZINC000922893867 1043890406 /nfs/dbraw/zinc/89/04/06/1043890406.db2.gz JISGMZLSVSFLNR-SFHVURJKSA-N 1 0 333.863 4.125 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000011047456 1043944033 /nfs/dbraw/zinc/94/40/33/1043944033.db2.gz WGHHVHPFHUUAOK-SUMWQHHRSA-N 1 0 341.842 4.280 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCc3sccc3[C@H]2C)c(O)c(OC)c1 ZINC000732526587 1043945848 /nfs/dbraw/zinc/94/58/48/1043945848.db2.gz IUESIIYWUMDGTD-CYBMUJFWSA-N 1 0 329.465 4.310 20 30 EIEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000543139990 1043957389 /nfs/dbraw/zinc/95/73/89/1043957389.db2.gz HFADVWJKUWMFQL-FQEVSTJZSA-N 1 0 336.435 4.107 20 30 EIEDRO C=CCCCCC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000193328747 1044041900 /nfs/dbraw/zinc/04/19/00/1044041900.db2.gz KWWRTTVAMPSAPM-UHFFFAOYSA-N 1 0 326.444 4.057 20 30 EIEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000439124122 1044072206 /nfs/dbraw/zinc/07/22/06/1044072206.db2.gz NIJMINUGBJSHEU-UHFFFAOYSA-N 1 0 347.462 4.495 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000041069340 1044183138 /nfs/dbraw/zinc/18/31/38/1044183138.db2.gz VJEWLEDLJCWZED-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(Br)s1 ZINC000443318373 1044184319 /nfs/dbraw/zinc/18/43/19/1044184319.db2.gz JTGHOVSQKOABHR-LLVKDONJSA-N 1 0 338.245 4.352 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](CC)c2ccccc2OC)cc(OC)c1O ZINC000733323959 1044185989 /nfs/dbraw/zinc/18/59/89/1044185989.db2.gz BCCQUOJJNGVCEW-GOSISDBHSA-N 1 0 341.451 4.379 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC000733324890 1044188580 /nfs/dbraw/zinc/18/85/80/1044188580.db2.gz INOSIZWVHKEZQU-UHFFFAOYSA-N 1 0 335.447 4.310 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCCn2ccc3ccccc32)cc1 ZINC000733323347 1044189928 /nfs/dbraw/zinc/18/99/28/1044189928.db2.gz VKEAEVFWOOJWIQ-UHFFFAOYSA-N 1 0 332.447 4.223 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)CCc2ccc(OC)cc2)cc1 ZINC000733326346 1044194318 /nfs/dbraw/zinc/19/43/18/1044194318.db2.gz XZIKDQFOBWCQHM-GOSISDBHSA-N 1 0 337.463 4.208 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C/C=C/c2ccccc2)ccc1OC ZINC000733330177 1044194955 /nfs/dbraw/zinc/19/49/55/1044194955.db2.gz QWDSBDFCUNGAQI-VQFGERMISA-N 1 0 336.435 4.179 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1Br ZINC000174428895 1044272639 /nfs/dbraw/zinc/27/26/39/1044272639.db2.gz URXXTELIRSQJQQ-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000522147003 1044278284 /nfs/dbraw/zinc/27/82/84/1044278284.db2.gz KJKWLLJRLOALOA-UIBIWLFHSA-N 1 0 334.529 4.066 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000522147001 1044278668 /nfs/dbraw/zinc/27/86/68/1044278668.db2.gz KJKWLLJRLOALOA-MUQADHOPSA-N 1 0 334.529 4.066 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246363819 1044298885 /nfs/dbraw/zinc/29/88/85/1044298885.db2.gz LOBXDCMLUVXNRD-GGPKGHCWSA-N 1 0 325.500 4.206 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000322043552 1044340982 /nfs/dbraw/zinc/34/09/82/1044340982.db2.gz MTLCRSRWLOHLTL-ZTFGCOKTSA-N 1 0 343.471 4.045 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)o2)cc1 ZINC000766144703 1044346457 /nfs/dbraw/zinc/34/64/57/1044346457.db2.gz XAKNVVCHSBJQTJ-RHSMWYFYSA-N 1 0 335.831 4.104 20 30 EIEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000246757551 1044358937 /nfs/dbraw/zinc/35/89/37/1044358937.db2.gz NNERYMQZMGLDMQ-HLIPFELVSA-N 1 0 347.462 4.011 20 30 EIEDRO C=CC[C@@H](CC)NC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000466397952 1044386320 /nfs/dbraw/zinc/38/63/20/1044386320.db2.gz HBXVAWMNTDAONK-LJQANCHMSA-N 1 0 337.552 4.131 20 30 EIEDRO C=CC[C@H](CC)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000466402857 1044395829 /nfs/dbraw/zinc/39/58/29/1044395829.db2.gz AIRAXDBVKFQMMN-MJGOQNOKSA-N 1 0 335.536 4.027 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2cc(C)ccc2OC)cc(OC)c1O ZINC000113315396 1044447653 /nfs/dbraw/zinc/44/76/53/1044447653.db2.gz SXIUJAFZWSNYTB-HNNXBMFYSA-N 1 0 341.451 4.297 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000466425418 1044448233 /nfs/dbraw/zinc/44/82/33/1044448233.db2.gz MWZSSHGNFIQQAD-UHFFFAOYSA-N 1 0 347.374 4.059 20 30 EIEDRO CCc1cccc(CC)c1NC(=[NH2+])NCc1nc(C2CC2)cs1 ZINC000153214702 1044456681 /nfs/dbraw/zinc/45/66/81/1044456681.db2.gz ZFLISJUEQUUMJL-UHFFFAOYSA-N 1 0 328.485 4.072 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734096760 1044473367 /nfs/dbraw/zinc/47/33/67/1044473367.db2.gz RGVXVHPGNXWPQN-BTVXTAIASA-N 1 0 345.446 4.024 20 30 EIEDRO C=C(C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 ZINC000675784546 1044495763 /nfs/dbraw/zinc/49/57/63/1044495763.db2.gz YRDWZMFQXAJRCS-MRXNPFEDSA-N 1 0 335.451 4.335 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000543395000 1044503717 /nfs/dbraw/zinc/50/37/17/1044503717.db2.gz TUGUAEORTHCEDI-VQTJNVASSA-N 1 0 348.475 4.206 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3s2)cc1 ZINC000734163127 1044508735 /nfs/dbraw/zinc/50/87/35/1044508735.db2.gz AXFPBUVHTRACKY-KGLIPLIRSA-N 1 0 337.448 4.438 20 30 EIEDRO C=CC[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000494999214 1044587134 /nfs/dbraw/zinc/58/71/34/1044587134.db2.gz NYORBSFSGOPFTL-SVFBPWRDSA-N 1 0 342.527 4.221 20 30 EIEDRO C=CC[C@H]([NH2+]Cc1ccc(OC)c(OCC(=C)C)c1)c1ccncc1 ZINC000734510426 1044592744 /nfs/dbraw/zinc/59/27/44/1044592744.db2.gz UWWDQHDWHVOQCN-IBGZPJMESA-N 1 0 338.451 4.452 20 30 EIEDRO CCCCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000734510904 1044593973 /nfs/dbraw/zinc/59/39/73/1044593973.db2.gz UYROINMDIUBTBH-YJBOKZPZSA-N 1 0 329.488 4.470 20 30 EIEDRO Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367144876 1044630701 /nfs/dbraw/zinc/63/07/01/1044630701.db2.gz QBJWLXLESAJOLL-INIZCTEOSA-N 1 0 330.435 4.118 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193161079 1044657247 /nfs/dbraw/zinc/65/72/47/1044657247.db2.gz UFWZYPQWOKBILS-OAHLLOKOSA-N 1 0 340.854 4.256 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2cccc(O)c2)ccc1OC ZINC000105461409 1044672342 /nfs/dbraw/zinc/67/23/42/1044672342.db2.gz FUMUVMJKQLGTFQ-OAHLLOKOSA-N 1 0 327.424 4.207 20 30 EIEDRO CCOc1cccc(/C=N\Cc2cccc(C[NH+]3CCCC3)c2)c1O ZINC000914701912 1044678858 /nfs/dbraw/zinc/67/88/58/1044678858.db2.gz RHQPOASXOQKTHS-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccc(Oc2cnccn2)cc1 ZINC000495110054 1044687849 /nfs/dbraw/zinc/68/78/49/1044687849.db2.gz RNMMRVASNPTASI-UHFFFAOYSA-N 1 0 335.407 4.093 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3c(c2)COC3)cc1Cl ZINC000676240079 1044688276 /nfs/dbraw/zinc/68/82/76/1044688276.db2.gz XANIMJPZXMRFEM-UHFFFAOYSA-N 1 0 329.827 4.225 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)ccc1F ZINC000091885635 1044714282 /nfs/dbraw/zinc/71/42/82/1044714282.db2.gz YIMONRVUNSOZEX-UHFFFAOYSA-N 1 0 342.389 4.018 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccccc1OCc1ccncc1 ZINC000495169447 1044744613 /nfs/dbraw/zinc/74/46/13/1044744613.db2.gz XKEXWMZWYANUHJ-UHFFFAOYSA-N 1 0 348.446 4.484 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(COC)cc2)c(O)c1 ZINC000914773473 1044762609 /nfs/dbraw/zinc/76/26/09/1044762609.db2.gz IUMKYWIQEGFYMY-KGENOOAVSA-N 1 0 326.440 4.004 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000495184176 1044762635 /nfs/dbraw/zinc/76/26/35/1044762635.db2.gz NNEDKYMLKJFKCR-UHFFFAOYSA-N 1 0 335.831 4.181 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000474194428 1044776686 /nfs/dbraw/zinc/77/66/86/1044776686.db2.gz ODXLKFWJKUAEQB-RDJZCZTQSA-N 1 0 342.405 4.027 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000735309088 1044787854 /nfs/dbraw/zinc/78/78/54/1044787854.db2.gz FPKKSFBDWUYYRX-AWEZNQCLSA-N 1 0 344.817 4.371 20 30 EIEDRO C[C@H](C[N@H+](C)Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000735309610 1044799234 /nfs/dbraw/zinc/79/92/34/1044799234.db2.gz QCGLNBGPUXQEGV-OAHLLOKOSA-N 1 0 328.843 4.478 20 30 EIEDRO CC[N@H+](CCc1cccs1)Cc1cc(Cl)ccc1OCC#N ZINC000735309464 1044800036 /nfs/dbraw/zinc/80/00/36/1044800036.db2.gz FFWYTCFWNSBHMZ-UHFFFAOYSA-N 1 0 334.872 4.368 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)nc1 ZINC000092854308 1044805720 /nfs/dbraw/zinc/80/57/20/1044805720.db2.gz JJXFRWQASHEIHG-UHFFFAOYSA-N 1 0 341.842 4.086 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)o1 ZINC000093818171 1044856323 /nfs/dbraw/zinc/85/63/23/1044856323.db2.gz GBIQPNKTEQLDPZ-UHFFFAOYSA-N 1 0 329.403 4.378 20 30 EIEDRO C[C@@H]1SCC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1ccccc1 ZINC000735673788 1044857497 /nfs/dbraw/zinc/85/74/97/1044857497.db2.gz HBPOIQSYBYINES-JXFKEZNVSA-N 1 0 338.476 4.268 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000895718526 1044863450 /nfs/dbraw/zinc/86/34/50/1044863450.db2.gz XCLZINZOEWCWGO-PXNSSMCTSA-N 1 0 342.483 4.006 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000922677662 1044883651 /nfs/dbraw/zinc/88/36/51/1044883651.db2.gz PXKFHVYHJFOPTK-HOTGVXAUSA-N 1 0 340.389 4.077 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000543603900 1044901988 /nfs/dbraw/zinc/90/19/88/1044901988.db2.gz XYJYHSJKJMFXBD-HUUCEWRRSA-N 1 0 337.305 4.220 20 30 EIEDRO C=C1CCC(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000922711968 1044902296 /nfs/dbraw/zinc/90/22/96/1044902296.db2.gz UUKHDUFORRYLPI-UHFFFAOYSA-N 1 0 346.902 4.281 20 30 EIEDRO COC[C@H](c1ccc(Cl)cc1)N(C)Cc1cccc(F)c1C#N ZINC000428962588 1044910002 /nfs/dbraw/zinc/91/00/02/1044910002.db2.gz KOSQBMVNCQNENY-GOSISDBHSA-N 1 0 332.806 4.170 20 30 EIEDRO C[C@@]1([NH2+]Cc2cccc(OCCCC#N)c2)CCOc2ccccc21 ZINC000923025702 1044910432 /nfs/dbraw/zinc/91/04/32/1044910432.db2.gz NOVDDACWAYRERG-OAQYLSRUSA-N 1 0 336.435 4.157 20 30 EIEDRO C=CCC1(O)CC[NH+](Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000895834489 1044928748 /nfs/dbraw/zinc/92/87/48/1044928748.db2.gz LZYLLHOEVPUDSO-UHFFFAOYSA-N 1 0 328.481 4.022 20 30 EIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1nc2ccc(Cl)cc2n1C ZINC000282380922 1044963924 /nfs/dbraw/zinc/96/39/24/1044963924.db2.gz QRNAWLMTDLSHAY-IYXRBSQSSA-N 1 0 330.863 4.207 20 30 EIEDRO CCCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1O ZINC000282388311 1044985074 /nfs/dbraw/zinc/98/50/74/1044985074.db2.gz GQMIUXKEOMCSCE-UHFFFAOYSA-N 1 0 330.472 4.095 20 30 EIEDRO CC(C)C[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000542557619 1045122768 /nfs/dbraw/zinc/12/27/68/1045122768.db2.gz RSHXNNPCPCPCLX-HOTGVXAUSA-N 1 0 347.528 4.156 20 30 EIEDRO Cc1cc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)ccc1C#N ZINC000487917262 1045153649 /nfs/dbraw/zinc/15/36/49/1045153649.db2.gz QVHWCDFEJAAZJU-UHFFFAOYSA-N 1 0 334.463 4.296 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-c3ccccc3)c2)CC1 ZINC000495511713 1045169979 /nfs/dbraw/zinc/16/99/79/1045169979.db2.gz DYTGCDBMRIYIKQ-UHFFFAOYSA-N 1 0 335.451 4.126 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccncc1 ZINC000766017715 1045180492 /nfs/dbraw/zinc/18/04/92/1045180492.db2.gz CFTRGMNOAKVBQK-HNAYVOBHSA-N 1 0 337.423 4.006 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)c1ccncc1 ZINC000766017332 1045183562 /nfs/dbraw/zinc/18/35/62/1045183562.db2.gz ABJQTJHIXMESHP-DYESRHJHSA-N 1 0 332.451 4.294 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cc(F)ccc1F ZINC000915224920 1045197239 /nfs/dbraw/zinc/19/72/39/1045197239.db2.gz YRLWLBSPWVUGPW-AWEZNQCLSA-N 1 0 329.394 4.165 20 30 EIEDRO N#Cc1ccc(CNCc2ccc(F)c(C(F)(F)F)c2)c(F)c1 ZINC000162030597 1045203830 /nfs/dbraw/zinc/20/38/30/1045203830.db2.gz YTLFBDMPUQLKSA-UHFFFAOYSA-N 1 0 326.268 4.145 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2nccc3ccccc32)cc(OC)c1OC ZINC000740898319 1045241434 /nfs/dbraw/zinc/24/14/34/1045241434.db2.gz SYHORCKHAYWCNX-UHFFFAOYSA-N 1 0 348.446 4.270 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@H]1OCCc2sccc21 ZINC000429125541 1045257887 /nfs/dbraw/zinc/25/78/87/1045257887.db2.gz ZFKFOKNPMPREIV-PIGZYNQJSA-N 1 0 332.856 4.065 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000611235859 1045263232 /nfs/dbraw/zinc/26/32/32/1045263232.db2.gz DKGKAIQEHORBQO-GOSISDBHSA-N 1 0 345.446 4.428 20 30 EIEDRO CC(C)Oc1ncccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000611255126 1045267032 /nfs/dbraw/zinc/26/70/32/1045267032.db2.gz RAINBBUNAIEAJF-UHFFFAOYSA-N 1 0 349.478 4.363 20 30 EIEDRO CC(C)(CCC#N)C[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611264021 1045269574 /nfs/dbraw/zinc/26/95/74/1045269574.db2.gz XZVGSHQLMYVXTN-PHIMTYICSA-N 1 0 330.316 4.379 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000611376400 1045291218 /nfs/dbraw/zinc/29/12/18/1045291218.db2.gz YTCPXSMDAAGSIM-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO N#CCN1CCC([NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000611366182 1045293381 /nfs/dbraw/zinc/29/33/81/1045293381.db2.gz IACBDWOMUMUREQ-KRWDZBQOSA-N 1 0 338.282 4.022 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000611391997 1045297739 /nfs/dbraw/zinc/29/77/39/1045297739.db2.gz DNXWWMAHXDVDKI-FKBYEOEOSA-N 1 0 332.447 4.446 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000611393107 1045298383 /nfs/dbraw/zinc/29/83/83/1045298383.db2.gz JQZGHRWAXHWYIS-VXKWHMMOSA-N 1 0 342.446 4.163 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000611392936 1045298730 /nfs/dbraw/zinc/29/87/30/1045298730.db2.gz WWPCMEWNBMYANE-UGKGYDQZSA-N 1 0 331.463 4.194 20 30 EIEDRO COC(=O)CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611394171 1045299632 /nfs/dbraw/zinc/29/96/32/1045299632.db2.gz OFSAHLHQQYDYST-RTWAWAEBSA-N 1 0 348.446 4.220 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000611395470 1045300709 /nfs/dbraw/zinc/30/07/09/1045300709.db2.gz CXKZKHIRIZSWAT-QGZVFWFLSA-N 1 0 339.464 4.079 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611395235 1045301275 /nfs/dbraw/zinc/30/12/75/1045301275.db2.gz XASUCECETGPREN-DLPLYFIVSA-N 1 0 338.426 4.441 20 30 EIEDRO Cc1ccc(C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C2CC2)o1 ZINC000611518057 1045320634 /nfs/dbraw/zinc/32/06/34/1045320634.db2.gz FQNMVMPWQYPYPI-UHFFFAOYSA-N 1 0 346.434 4.025 20 30 EIEDRO N#CCCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237773372 1045395396 /nfs/dbraw/zinc/39/53/96/1045395396.db2.gz RPGIQMFSATZMTN-UHFFFAOYSA-N 1 0 343.358 4.310 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccco1 ZINC000495815841 1045421024 /nfs/dbraw/zinc/42/10/24/1045421024.db2.gz DDYMCEXIIPIFGE-QGZVFWFLSA-N 1 0 326.396 4.033 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccc3c(c2)CCCO3)CC1 ZINC000153657689 1045431293 /nfs/dbraw/zinc/43/12/93/1045431293.db2.gz KTEFRQOGUDKTLD-FQEVSTJZSA-N 1 0 328.500 4.093 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccncc1 ZINC000768102734 1045716464 /nfs/dbraw/zinc/71/64/64/1045716464.db2.gz BONXUGRCONQOQK-PBHICJAKSA-N 1 0 341.411 4.357 20 30 EIEDRO C[C@@H]1CC[C@@H]([NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)C1 ZINC001170154348 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4.155 20 30 EIEDRO COCC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)c1ccccc1 ZINC000768597276 1045825034 /nfs/dbraw/zinc/82/50/34/1045825034.db2.gz QVIZQVDDOLOCRO-ZWKOTPCHSA-N 1 0 338.451 4.187 20 30 EIEDRO C=CC[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccncc1 ZINC000769021467 1045870314 /nfs/dbraw/zinc/87/03/14/1045870314.db2.gz NPRVQFDJTZXKIQ-ABHNRTSZSA-N 1 0 330.472 4.189 20 30 EIEDRO CC(C)N(CCC[NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC000496236084 1045882550 /nfs/dbraw/zinc/88/25/50/1045882550.db2.gz IVSFBFDHLUIYDH-UHFFFAOYSA-N 1 0 337.508 4.084 20 30 EIEDRO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000496350395 1045912976 /nfs/dbraw/zinc/91/29/76/1045912976.db2.gz WIZUBKGQVPBMKQ-DLBZAZTESA-N 1 0 349.519 4.086 20 30 EIEDRO Fc1ccc(CNN=Cc2c(Cl)cccc2N2CCCC2)cc1F ZINC000763356528 1045922483 /nfs/dbraw/zinc/92/24/83/1045922483.db2.gz SIWRCEHOACASPL-UHFFFAOYSA-N 1 0 349.812 4.342 20 30 EIEDRO CC(C)[C@H](C#N)N1CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000614911476 1045941143 /nfs/dbraw/zinc/94/11/43/1045941143.db2.gz MEFOHRQHCHMPRG-VTLFHKLASA-N 1 0 339.527 4.126 20 30 EIEDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614925355 1045946874 /nfs/dbraw/zinc/94/68/74/1045946874.db2.gz ZLAPDFFKCDLGNG-KRWDZBQOSA-N 1 0 340.389 4.031 20 30 EIEDRO CN(CCO)c1ccc(C=[NH+]N(c2ccccc2)c2ccccc2)cc1 ZINC000916250303 1045971818 /nfs/dbraw/zinc/97/18/18/1045971818.db2.gz ZOBOCKYYCHIGOU-UHFFFAOYSA-N 1 0 345.446 4.287 20 30 EIEDRO N#Cc1ccccc1OCC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC001170254818 1045974154 /nfs/dbraw/zinc/97/41/54/1045974154.db2.gz XEBVHQURDPILJO-UHFFFAOYSA-N 1 0 342.389 4.095 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000769501702 1045997634 /nfs/dbraw/zinc/99/76/34/1045997634.db2.gz NLRDXWQXCHFTGS-UHFFFAOYSA-N 1 0 343.540 4.288 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)cc1 ZINC000769499992 1045997845 /nfs/dbraw/zinc/99/78/45/1045997845.db2.gz ULYFJMYFIMTZGW-OPYAIIAOSA-N 1 0 334.463 4.431 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccccc2SC2CCCC2)CC1 ZINC000067709378 1046004861 /nfs/dbraw/zinc/00/48/61/1046004861.db2.gz ZXVZROIQIQLBJJ-UHFFFAOYSA-N 1 0 342.508 4.005 20 30 EIEDRO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395152 1046027663 /nfs/dbraw/zinc/02/76/63/1046027663.db2.gz HQPNOKLCASSFBI-AFJQURTJSA-N 1 0 342.483 4.053 20 30 EIEDRO CCCC[N@H+](CC(=O)OCC)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395449 1046027868 /nfs/dbraw/zinc/02/78/68/1046027868.db2.gz KYOIYISSSXPXDO-UHFFFAOYSA-N 1 0 342.483 4.056 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@H+](C2CCC2)C2CCOCC2)CC1 ZINC001170398383 1046030607 /nfs/dbraw/zinc/03/06/07/1046030607.db2.gz PMUZPYVFWMXRBM-UHFFFAOYSA-N 1 0 338.495 4.424 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CCCCCNC(=O)OCc1ccccc1 ZINC000285428115 1046033252 /nfs/dbraw/zinc/03/32/52/1046033252.db2.gz HHKPYCHTXJWROZ-UHFFFAOYSA-N 1 0 345.487 4.003 20 30 EIEDRO CCCCCCCC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000916455062 1046036635 /nfs/dbraw/zinc/03/66/35/1046036635.db2.gz YVYMFZMQMNDJBB-UHFFFAOYSA-N 1 0 331.504 4.128 20 30 EIEDRO CCC[C@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168510150 1046044190 /nfs/dbraw/zinc/04/41/90/1046044190.db2.gz SRPSUICABSOPSK-RBUKOAKNSA-N 1 0 330.378 4.001 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000154051821 1046085306 /nfs/dbraw/zinc/08/53/06/1046085306.db2.gz KUEGEMSNQDFVQV-QZTJIDSGSA-N 1 0 345.446 4.296 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CCCC1(C)C ZINC000769954067 1046110751 /nfs/dbraw/zinc/11/07/51/1046110751.db2.gz RAWKUJOZESTDJA-HXUWFJFHSA-N 1 0 340.511 4.489 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170423864 1046117528 /nfs/dbraw/zinc/11/75/28/1046117528.db2.gz JQJQXJSPDAUUAC-BEFAXECRSA-N 1 0 335.407 4.407 20 30 EIEDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000769990906 1046123067 /nfs/dbraw/zinc/12/30/67/1046123067.db2.gz PKPQELIDLUFVCP-ROUUACIJSA-N 1 0 348.368 4.183 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000763398963 1046127866 /nfs/dbraw/zinc/12/78/66/1046127866.db2.gz XOYRVFRHIVBMBN-JOCHJYFZSA-N 1 0 334.463 4.427 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@H+](CCc2ccccc2)C2CCCC2)cc1 ZINC000763409962 1046135628 /nfs/dbraw/zinc/13/56/28/1046135628.db2.gz VVSWEEOSRYFQFY-QFIPXVFZSA-N 1 0 334.463 4.079 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@H+](CCc2ccccc2)C2CCCC2)cc1 ZINC000763409957 1046135813 /nfs/dbraw/zinc/13/58/13/1046135813.db2.gz VVSWEEOSRYFQFY-JOCHJYFZSA-N 1 0 334.463 4.079 20 30 EIEDRO Cc1cccc([C@H]2CCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000763413842 1046144240 /nfs/dbraw/zinc/14/42/40/1046144240.db2.gz OTPZPKZGACCJEU-FGZHOGPDSA-N 1 0 334.463 4.436 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccc(F)cc2)cc1 ZINC000763412030 1046145152 /nfs/dbraw/zinc/14/51/52/1046145152.db2.gz CSXJIIZNFKMWFT-QYWGDWMGSA-N 1 0 341.426 4.001 20 30 EIEDRO C=CC1(CC(=O)NCc2ccc(Nc3cc[nH+]cc3)cc2)CCCCC1 ZINC001168511808 1046163442 /nfs/dbraw/zinc/16/34/42/1046163442.db2.gz CCTUDOVTDNIZKE-UHFFFAOYSA-N 1 0 349.478 4.390 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000497016020 1046168273 /nfs/dbraw/zinc/16/82/73/1046168273.db2.gz LZTNAANIZUDIBV-MSOLQXFVSA-N 1 0 343.471 4.021 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)nc1 ZINC000615092259 1046178800 /nfs/dbraw/zinc/17/88/00/1046178800.db2.gz RFILBOVAXWHJQW-KRWDZBQOSA-N 1 0 331.341 4.213 20 30 EIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770353428 1046190632 /nfs/dbraw/zinc/19/06/32/1046190632.db2.gz SHHMRCKNVAYSPF-ZYSHUDEJSA-N 1 0 330.472 4.003 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000793528282 1046267901 /nfs/dbraw/zinc/26/79/01/1046267901.db2.gz RDHVWCWZXNELFY-CVEARBPZSA-N 1 0 338.517 4.234 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000793536008 1046274595 /nfs/dbraw/zinc/27/45/95/1046274595.db2.gz UVOAVPVGMVRMNL-MRXNPFEDSA-N 1 0 330.520 4.177 20 30 EIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(F)c(C#N)c1)CCC2 ZINC000152530786 1046287228 /nfs/dbraw/zinc/28/72/28/1046287228.db2.gz WRQOXTJDCULVQS-MRXNPFEDSA-N 1 0 329.444 4.226 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000793566167 1046293231 /nfs/dbraw/zinc/29/32/31/1046293231.db2.gz NGHRAVZGIHNDPC-PKOBYXMFSA-N 1 0 329.488 4.407 20 30 EIEDRO C=CCOc1cccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c1 ZINC000793609834 1046309642 /nfs/dbraw/zinc/30/96/42/1046309642.db2.gz CPUKKFIJCNYIKF-JKSUJKDBSA-N 1 0 326.267 4.267 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000282068259 1046314795 /nfs/dbraw/zinc/31/47/95/1046314795.db2.gz SSMJQWVIVVPUBE-SJLPKXTDSA-N 1 0 330.447 4.104 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000154145742 1046334334 /nfs/dbraw/zinc/33/43/34/1046334334.db2.gz QAWGQNQUJJVCEQ-ZWKOTPCHSA-N 1 0 349.478 4.428 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000497098804 1046339523 /nfs/dbraw/zinc/33/95/23/1046339523.db2.gz WCWABWQHMIJJJO-XUWXXGDYSA-N 1 0 341.455 4.303 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000771579400 1046448490 /nfs/dbraw/zinc/44/84/90/1046448490.db2.gz XCFIMKRLEGUCKB-IBGZPJMESA-N 1 0 331.843 4.070 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000916988147 1046527393 /nfs/dbraw/zinc/52/73/93/1046527393.db2.gz AZMCKSKYYPLFJN-INIZCTEOSA-N 1 0 341.398 4.489 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1C#N ZINC000771935144 1046528294 /nfs/dbraw/zinc/52/82/94/1046528294.db2.gz KKYPKAGJKHIXES-UHFFFAOYSA-N 1 0 349.478 4.189 20 30 EIEDRO N#Cc1ccc2ncc(C[N@@H+](Cc3cccc(F)c3)C3CCCC3)n2c1 ZINC000508764851 1046543681 /nfs/dbraw/zinc/54/36/81/1046543681.db2.gz OIHUOVZHCYHEGF-UHFFFAOYSA-N 1 0 348.425 4.290 20 30 EIEDRO CC[C@H]1CC([NH2+]CC2(C#N)CCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170458027 1046638124 /nfs/dbraw/zinc/63/81/24/1046638124.db2.gz FMDAQGKBJTZHGU-IRXDYDNUSA-N 1 0 349.519 4.227 20 30 EIEDRO N#C[C@@H]1CCC[C@H]1[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000459456587 1046690801 /nfs/dbraw/zinc/69/08/01/1046690801.db2.gz CBXCJWLXUDJSCN-XJKSGUPXSA-N 1 0 326.362 4.146 20 30 EIEDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)c1 ZINC000536694921 1046692407 /nfs/dbraw/zinc/69/24/07/1046692407.db2.gz CWVOCFAQXFCKEB-FQEVSTJZSA-N 1 0 330.435 4.160 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]CCSc1ccnc2cc(Cl)ccc21 ZINC000459457364 1046694489 /nfs/dbraw/zinc/69/44/89/1046694489.db2.gz GTAXRVYMKSCFCY-WFASDCNBSA-N 1 0 331.872 4.262 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(O)c(OCC)c1)c1ccc(F)c(F)c1 ZINC000459519478 1046743064 /nfs/dbraw/zinc/74/30/64/1046743064.db2.gz GCOGXLWHVDDUMP-IBGZPJMESA-N 1 0 333.378 4.476 20 30 EIEDRO CC[N@H+](CCC1CCN(Cc2cc(F)ccc2C#N)CC1)CC1CC1 ZINC000536736888 1046746567 /nfs/dbraw/zinc/74/65/67/1046746567.db2.gz GKWZFQNLCXMRQV-UHFFFAOYSA-N 1 0 343.490 4.031 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)[C@H]1Sc1ccccc1 ZINC000459528756 1046754623 /nfs/dbraw/zinc/75/46/23/1046754623.db2.gz LMRAMJVFAUEZCL-SSYYCLFMSA-N 1 0 344.524 4.244 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)c1F ZINC000459528298 1046758635 /nfs/dbraw/zinc/75/86/35/1046758635.db2.gz BRWAWNKYCVNCQI-FQEVSTJZSA-N 1 0 338.426 4.081 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459588718 1046787863 /nfs/dbraw/zinc/78/78/63/1046787863.db2.gz HSYZOJSVYVPYEX-WMLDXEAASA-N 1 0 333.863 4.070 20 30 EIEDRO Cc1ccccc1[C@H]([C@H](C)Nc1snc(Cl)c1C#N)[NH+](C)C ZINC000804850372 1046825706 /nfs/dbraw/zinc/82/57/06/1046825706.db2.gz WIMCVMZAFNULDL-FZMZJTMJSA-N 1 0 334.876 4.080 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1N(C)C ZINC000536863948 1046831083 /nfs/dbraw/zinc/83/10/83/1046831083.db2.gz PPOOPVUQPHUNNX-INIZCTEOSA-N 1 0 339.508 4.208 20 30 EIEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170475064 1046847328 /nfs/dbraw/zinc/84/73/28/1046847328.db2.gz MKIHWSRKMFDZQR-NNZMDNLPSA-N 1 0 336.520 4.336 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000459705245 1046856420 /nfs/dbraw/zinc/85/64/20/1046856420.db2.gz XZGRTSZPJMLEQF-UHFFFAOYSA-N 1 0 347.203 4.080 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000459706223 1046857192 /nfs/dbraw/zinc/85/71/92/1046857192.db2.gz YXSPDDFTORPAPN-UHFFFAOYSA-N 1 0 336.483 4.255 20 30 EIEDRO C=CCc1cc(C[NH2+]C2CCC(C(F)F)CC2)cc(OC)c1O ZINC000459718567 1046863992 /nfs/dbraw/zinc/86/39/92/1046863992.db2.gz VHHPEFPRCUGJTL-UHFFFAOYSA-N 1 0 325.399 4.043 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)c1 ZINC000786916529 1046880690 /nfs/dbraw/zinc/88/06/90/1046880690.db2.gz MBPDSIHSOLZDSN-MAUKXSAKSA-N 1 0 340.471 4.304 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc2c(cc1O)CCCC2 ZINC000787028157 1046894771 /nfs/dbraw/zinc/89/47/71/1046894771.db2.gz UMIJNGYORPUQES-SZNDQCEHSA-N 1 0 332.447 4.481 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc2c(cc1O)CCCC2 ZINC000787028156 1046895156 /nfs/dbraw/zinc/89/51/56/1046895156.db2.gz UMIJNGYORPUQES-SPLOXXLWSA-N 1 0 332.447 4.481 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787035646 1046896513 /nfs/dbraw/zinc/89/65/13/1046896513.db2.gz NAVOGFBOJCXEBZ-RTBURBONSA-N 1 0 344.817 4.051 20 30 EIEDRO C#CCCCCC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC001130230994 1046909530 /nfs/dbraw/zinc/90/95/30/1046909530.db2.gz CRQMAAJJDSBTEY-UHFFFAOYSA-N 1 0 344.524 4.397 20 30 EIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000537045673 1046912891 /nfs/dbraw/zinc/91/28/91/1046912891.db2.gz WTMNCHALHMPQEZ-OAHLLOKOSA-N 1 0 326.415 4.017 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000537092991 1046939773 /nfs/dbraw/zinc/93/97/73/1046939773.db2.gz QUJKHVXUXKONIB-CHWSQXEVSA-N 1 0 333.419 4.176 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001170075573 1047030699 /nfs/dbraw/zinc/03/06/99/1047030699.db2.gz SSYMZRICMZMQPK-NVXWUHKLSA-N 1 0 330.447 4.367 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000537203667 1047037741 /nfs/dbraw/zinc/03/77/41/1047037741.db2.gz JZGJPHGRZCABPU-AVRDEDQJSA-N 1 0 349.478 4.302 20 30 EIEDRO CC[C@H]1CC([N@H+](CC)CCC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170491621 1047052876 /nfs/dbraw/zinc/05/28/76/1047052876.db2.gz KPSABPPWYJNLNS-HOTGVXAUSA-N 1 0 337.508 4.179 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1cccc(C#N)c1 ZINC000537292326 1047076925 /nfs/dbraw/zinc/07/69/25/1047076925.db2.gz HOAVNIOOUOXXJW-IFXJQAMLSA-N 1 0 327.859 4.165 20 30 EIEDRO CCOc1ccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OCC ZINC000537294883 1047079418 /nfs/dbraw/zinc/07/94/18/1047079418.db2.gz DOYVIHMLKJPBJW-MRXNPFEDSA-N 1 0 338.451 4.249 20 30 EIEDRO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170495479 1047084539 /nfs/dbraw/zinc/08/45/39/1047084539.db2.gz AACFTRANGHSPJW-AXVVYFOYSA-N 1 0 349.519 4.179 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000537303532 1047086360 /nfs/dbraw/zinc/08/63/60/1047086360.db2.gz JQERNHLNDPPADT-YADHBBJMSA-N 1 0 337.511 4.081 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000537307556 1047092596 /nfs/dbraw/zinc/09/25/96/1047092596.db2.gz ACGIHKPBBCCBEC-ZIAGYGMSSA-N 1 0 338.879 4.400 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)ccc1OC ZINC000806147537 1047173121 /nfs/dbraw/zinc/17/31/21/1047173121.db2.gz XYXAJBOLYPCZIV-ZACQAIPSSA-N 1 0 330.472 4.290 20 30 EIEDRO CCc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000537400951 1047194366 /nfs/dbraw/zinc/19/43/66/1047194366.db2.gz MRIKBNRFBJAQIO-QVKFZJNVSA-N 1 0 339.458 4.213 20 30 EIEDRO CCc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000537400949 1047194987 /nfs/dbraw/zinc/19/49/87/1047194987.db2.gz MRIKBNRFBJAQIO-BTYIYWSLSA-N 1 0 339.458 4.213 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CN[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537407932 1047200107 /nfs/dbraw/zinc/20/01/07/1047200107.db2.gz YAVNEACBHJSDLU-JKSUJKDBSA-N 1 0 339.458 4.477 20 30 EIEDRO C#CCC1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCCCC1 ZINC000788503099 1047207020 /nfs/dbraw/zinc/20/70/20/1047207020.db2.gz BCPVXWUDDFOIBF-SFHVURJKSA-N 1 0 340.511 4.206 20 30 EIEDRO C#CCC[NH2+][C@H](c1ccccc1)c1ccc(OC)c(Br)c1 ZINC000760297785 1047254061 /nfs/dbraw/zinc/25/40/61/1047254061.db2.gz VWKSHKOJQQDYRN-GOSISDBHSA-N 1 0 344.252 4.160 20 30 EIEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788692769 1047266321 /nfs/dbraw/zinc/26/63/21/1047266321.db2.gz PWKLNKAWQYKUOS-ROUUACIJSA-N 1 0 330.472 4.374 20 30 EIEDRO CC(C)(C)c1ncc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC000897589405 1047318214 /nfs/dbraw/zinc/31/82/14/1047318214.db2.gz WQZYAYVCUKENJX-UHFFFAOYSA-N 1 0 334.467 4.025 20 30 EIEDRO O=C1C=COC2(CC[NH+](Cc3ccccc3-c3ccccc3)CC2)C1 ZINC000897602123 1047356373 /nfs/dbraw/zinc/35/63/73/1047356373.db2.gz GCWQCSGJWZRBCZ-UHFFFAOYSA-N 1 0 333.431 4.191 20 30 EIEDRO CC[NH+](CC)Cc1cc(NCc2ccc(C#N)c(F)c2)ccc1OC ZINC001170096440 1047357076 /nfs/dbraw/zinc/35/70/76/1047357076.db2.gz UEWYWXREWOZELF-UHFFFAOYSA-N 1 0 341.430 4.160 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)c1 ZINC000154695127 1047408232 /nfs/dbraw/zinc/40/82/32/1047408232.db2.gz SNYPAZNEXIWWRP-FOIQADDNSA-N 1 0 342.389 4.423 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)CC1 ZINC000476231101 1047427748 /nfs/dbraw/zinc/42/77/48/1047427748.db2.gz VAUJCDYCNHPUGO-UHFFFAOYSA-N 1 0 344.543 4.140 20 30 EIEDRO C=CCc1cc(C[NH+]2CCC(CC(F)(F)F)CC2)c(O)c(OC)c1 ZINC000789529544 1047436627 /nfs/dbraw/zinc/43/66/27/1047436627.db2.gz ZPSXCTNGNXTLPC-UHFFFAOYSA-N 1 0 343.389 4.294 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Br)cs2)cc1 ZINC000069710412 1047455052 /nfs/dbraw/zinc/45/50/52/1047455052.db2.gz QUGKZCPGOSQOEH-UHFFFAOYSA-N 1 0 338.270 4.365 20 30 EIEDRO CC1(C)CC2(CC([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2)CO1 ZINC000897972487 1047510173 /nfs/dbraw/zinc/51/01/73/1047510173.db2.gz CCGCYGQSMUZHLJ-UHFFFAOYSA-N 1 0 338.495 4.328 20 30 EIEDRO c1cnc(C2CCC2)c(N=NC2CCCC[C@H]2[NH+]2CCCCCC2)n1 ZINC000807992041 1047566244 /nfs/dbraw/zinc/56/62/44/1047566244.db2.gz YHSDFZHVZMNUBG-GOSISDBHSA-N 1 0 341.503 4.331 20 30 EIEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1N=Nc1nccnc1C1CCC1 ZINC000807992618 1047566425 /nfs/dbraw/zinc/56/64/25/1047566425.db2.gz HYCPBFFAEVFKPQ-MRXNPFEDSA-N 1 0 349.482 4.054 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(N=Nc3nccnc3C3CCC3)CC2)C1 ZINC000807993573 1047568961 /nfs/dbraw/zinc/56/89/61/1047568961.db2.gz AMWIDMDHZDVYFN-YJBOKZPZSA-N 1 0 341.503 4.187 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)c(F)c1 ZINC000498374927 1047610810 /nfs/dbraw/zinc/61/08/10/1047610810.db2.gz OLQKZNLYRUARBA-UHFFFAOYSA-N 1 0 332.781 4.311 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2OCCCC)CC1 ZINC000106322811 1047672192 /nfs/dbraw/zinc/67/21/92/1047672192.db2.gz GDUJUXZQQSPMFU-UHFFFAOYSA-N 1 0 345.487 4.028 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(O[C@@H](C)CC)cc2)CC1 ZINC000106323387 1047672765 /nfs/dbraw/zinc/67/27/65/1047672765.db2.gz TXZSUTUYWMPKCK-INIZCTEOSA-N 1 0 345.487 4.026 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000106315768 1047678448 /nfs/dbraw/zinc/67/84/48/1047678448.db2.gz JLCHNUZTWONWPX-UHFFFAOYSA-N 1 0 342.270 4.155 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000556483425 1047783432 /nfs/dbraw/zinc/78/34/32/1047783432.db2.gz WGHGKSSTEQMHSH-FXAWDEMLSA-N 1 0 342.446 4.333 20 30 EIEDRO C=CCC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000556485828 1047790270 /nfs/dbraw/zinc/79/02/70/1047790270.db2.gz PEOANRIXQHKJHU-QFIPXVFZSA-N 1 0 340.511 4.103 20 30 EIEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556600858 1047838627 /nfs/dbraw/zinc/83/86/27/1047838627.db2.gz KLRMWDYZVBZCBK-OAHLLOKOSA-N 1 0 335.407 4.066 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)nc1 ZINC000824230922 1047845926 /nfs/dbraw/zinc/84/59/26/1047845926.db2.gz DUDIBYYNRNZZLW-VQIMIIECSA-N 1 0 325.843 4.108 20 30 EIEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@@H]3C[C@@H]4[C@H](C3)C4(C)C)cc(C#N)c21 ZINC001170728558 1047863536 /nfs/dbraw/zinc/86/35/36/1047863536.db2.gz VKNMPZREHREZDU-XCXWGBRNSA-N 1 0 349.478 4.128 20 30 EIEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000824376731 1047864521 /nfs/dbraw/zinc/86/45/21/1047864521.db2.gz MDXTYZTXHKILNH-AQQQVQBPSA-N 1 0 349.519 4.082 20 30 EIEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000824376732 1047864882 /nfs/dbraw/zinc/86/48/82/1047864882.db2.gz MDXTYZTXHKILNH-CEFRRICQSA-N 1 0 349.519 4.082 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccccc1C[NH+](C)C ZINC000556709072 1047883331 /nfs/dbraw/zinc/88/33/31/1047883331.db2.gz UUMURDFIPRJHCV-UHFFFAOYSA-N 1 0 348.899 4.292 20 30 EIEDRO N#CC1(c2ccc(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)cc2)CC1 ZINC000824547761 1047889171 /nfs/dbraw/zinc/88/91/71/1047889171.db2.gz BCPXGHHTICSJIK-QFIPXVFZSA-N 1 0 346.474 4.187 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCCOC2=O)cc1 ZINC000814249113 1047917442 /nfs/dbraw/zinc/91/74/42/1047917442.db2.gz IXUYUHZDGVXWQM-CVEARBPZSA-N 1 0 349.434 4.317 20 30 EIEDRO N#CCCn1cc(C[NH+]2CCCCCCCC2)c(-c2ccncc2)n1 ZINC000824983441 1048014320 /nfs/dbraw/zinc/01/43/20/1048014320.db2.gz WQFVRSZHCUVQPS-UHFFFAOYSA-N 1 0 337.471 4.015 20 30 EIEDRO C#CCCC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000808699232 1048079048 /nfs/dbraw/zinc/07/90/48/1048079048.db2.gz BQABOMSUIKBTGH-INIZCTEOSA-N 1 0 331.257 4.311 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](COC)c2cccc(Cl)c2)cc1 ZINC000808731832 1048095310 /nfs/dbraw/zinc/09/53/10/1048095310.db2.gz BVKFRLBDVIQGFP-QRWLVFNGSA-N 1 0 343.854 4.390 20 30 EIEDRO CC(C)n1ncc2cc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)cnc21 ZINC000195117263 1048095568 /nfs/dbraw/zinc/09/55/68/1048095568.db2.gz GCRXDJXNZRZHDP-UHFFFAOYSA-N 1 0 345.450 4.048 20 30 EIEDRO C/C(=N\O)c1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1 ZINC001170754210 1048097333 /nfs/dbraw/zinc/09/73/33/1048097333.db2.gz MXRJUCMXECSLCN-KYCFSCSMSA-N 1 0 337.467 4.004 20 30 EIEDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)c1O ZINC000814659033 1048105065 /nfs/dbraw/zinc/10/50/65/1048105065.db2.gz JCMSCVQSZCIWLV-IBGZPJMESA-N 1 0 340.398 4.259 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000814660666 1048106050 /nfs/dbraw/zinc/10/60/50/1048106050.db2.gz YFIAIYHLHSHWNO-ZWKOTPCHSA-N 1 0 330.378 4.023 20 30 EIEDRO CC1(C)[C@@H]2C[C@H]([NH+]3CCC(Oc4ccc(C#N)c(Cl)c4)CC3)C[C@@H]21 ZINC001170762392 1048154246 /nfs/dbraw/zinc/15/42/46/1048154246.db2.gz TVEUGBLUBLPZEV-GBEXYDAJSA-N 1 0 344.886 4.489 20 30 EIEDRO CN(Cc1c(Cl)cccc1C#N)C1CC[NH+](C2CCCCC2)CC1 ZINC001143732829 1048169268 /nfs/dbraw/zinc/16/92/68/1048169268.db2.gz UXCSYHWYMNOCNF-UHFFFAOYSA-N 1 0 345.918 4.441 20 30 EIEDRO N#Cc1cccc(Cl)c1CN1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001143724040 1048174390 /nfs/dbraw/zinc/17/43/90/1048174390.db2.gz UVMGNPJSKQJPDP-QGZVFWFLSA-N 1 0 331.891 4.052 20 30 EIEDRO COc1ccc([C@H]2CC[N@H+](Cc3c(Cl)cccc3C#N)C2)cc1 ZINC001143731263 1048176705 /nfs/dbraw/zinc/17/67/05/1048176705.db2.gz QHRZYUPRURWCMN-INIZCTEOSA-N 1 0 326.827 4.210 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001143726403 1048177759 /nfs/dbraw/zinc/17/77/59/1048177759.db2.gz PFFMGXMRJOYAGI-MRXNPFEDSA-N 1 0 339.870 4.090 20 30 EIEDRO N#CCc1ccc(Cl)cc1-n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171100094 1048179939 /nfs/dbraw/zinc/17/99/39/1048179939.db2.gz SDSPIJVFVBULFF-HNNXBMFYSA-N 1 0 335.838 4.166 20 30 EIEDRO C=CCOCc1cccc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1 ZINC001171099317 1048184770 /nfs/dbraw/zinc/18/47/70/1048184770.db2.gz MMUDJRQCWBJFLR-KRWDZBQOSA-N 1 0 332.447 4.149 20 30 EIEDRO Cc1c(F)cc(F)cc1CN1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001143768036 1048186742 /nfs/dbraw/zinc/18/67/42/1048186742.db2.gz VLMWAWXUQQEDSZ-GOSISDBHSA-N 1 0 342.389 4.188 20 30 EIEDRO Cc1c(F)cc(F)cc1CN1CCC(C#N)(c2ccccc2)CC1 ZINC001143757585 1048191240 /nfs/dbraw/zinc/19/12/40/1048191240.db2.gz FPWFIXRNTMGQPX-UHFFFAOYSA-N 1 0 326.390 4.331 20 30 EIEDRO N#Cc1ccccc1OCCC[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171104706 1048195138 /nfs/dbraw/zinc/19/51/38/1048195138.db2.gz JFBDBYIUZLAEFJ-LJQANCHMSA-N 1 0 340.854 4.128 20 30 EIEDRO C[C@H]1C(N=Nc2cnnc3ccccc23)CCC[N@@H+]1Cc1ccccc1 ZINC000814849366 1048206185 /nfs/dbraw/zinc/20/61/85/1048206185.db2.gz RTJRZCKIIRWFDD-INIZCTEOSA-N 1 0 345.450 4.082 20 30 EIEDRO CC(=NNc1nc2ccccc2cc1C)c1cccc(C[NH+](C)C)c1 ZINC000814896091 1048222228 /nfs/dbraw/zinc/22/22/28/1048222228.db2.gz IMSMWKHVXQIEKK-UHFFFAOYSA-N 1 0 332.451 4.441 20 30 EIEDRO Cc1ccc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)cc1C#N ZINC000809260086 1048295660 /nfs/dbraw/zinc/29/56/60/1048295660.db2.gz RICQDHITMAGTOA-UHFFFAOYSA-N 1 0 344.418 4.180 20 30 EIEDRO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000844359030 1048302813 /nfs/dbraw/zinc/30/28/13/1048302813.db2.gz IMZGRENIRCEAPE-INIZCTEOSA-N 1 0 326.465 4.202 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCC2CCC(C#N)CC2)cc1 ZINC000805930584 1048302915 /nfs/dbraw/zinc/30/29/15/1048302915.db2.gz TYANCSBWUPNOKF-UHFFFAOYSA-N 1 0 342.483 4.405 20 30 EIEDRO C[C@@H](CCSc1ccccc1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844366249 1048305912 /nfs/dbraw/zinc/30/59/12/1048305912.db2.gz LQLNECKFKJNBKB-JXFKEZNVSA-N 1 0 340.492 4.094 20 30 EIEDRO Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000844421900 1048321682 /nfs/dbraw/zinc/32/16/82/1048321682.db2.gz YOZQLILBXVCWNM-IBGZPJMESA-N 1 0 334.419 4.087 20 30 EIEDRO N#CC(CC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F)(c1ccccc1)c1ccccc1 ZINC000844458891 1048349263 /nfs/dbraw/zinc/34/92/63/1048349263.db2.gz PMVFSTMOUVKXHJ-KDURUIRLSA-N 1 0 338.401 4.083 20 30 EIEDRO N#Cc1cncc(C[NH+]2CCC(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001144079787 1048411469 /nfs/dbraw/zinc/41/14/69/1048411469.db2.gz HZSWAZBWXWSTBS-UHFFFAOYSA-N 1 0 345.368 4.352 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)cc1 ZINC000809609582 1048416991 /nfs/dbraw/zinc/41/69/91/1048416991.db2.gz GYPCUYALBBVBEG-OAHLLOKOSA-N 1 0 333.410 4.152 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(OC)c(OC3CCCC3)c2)cc1 ZINC000809615278 1048422023 /nfs/dbraw/zinc/42/20/23/1048422023.db2.gz XTGLMOGGDYZIHP-UHFFFAOYSA-N 1 0 335.447 4.288 20 30 EIEDRO CC(N=Nc1ccc(Cl)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000844606715 1048423909 /nfs/dbraw/zinc/42/39/09/1048423909.db2.gz GCCLBRQMCGPKSM-UHFFFAOYSA-N 1 0 333.785 4.488 20 30 EIEDRO C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000809622547 1048440117 /nfs/dbraw/zinc/44/01/17/1048440117.db2.gz JSDRHSZSULYBFG-OAHLLOKOSA-N 1 0 345.487 4.244 20 30 EIEDRO CC1(C#N)CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809637586 1048447632 /nfs/dbraw/zinc/44/76/32/1048447632.db2.gz XJLUFTOKRNEUTJ-UHFFFAOYSA-N 1 0 345.490 4.375 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2OC)cc1 ZINC000809652985 1048453417 /nfs/dbraw/zinc/45/34/17/1048453417.db2.gz OEEGQXQUKIBWKD-ZDUSSCGKSA-N 1 0 344.252 4.290 20 30 EIEDRO C#C[C@H](NCc1csc(COc2ccc(Cl)cc2)n1)C(C)C ZINC000809685342 1048474362 /nfs/dbraw/zinc/47/43/62/1048474362.db2.gz OLZUAEVQIFMADW-INIZCTEOSA-N 1 0 334.872 4.123 20 30 EIEDRO N#Cc1ccc(C[N@H+](CCc2ccccc2)Cc2ccccc2)nc1 ZINC001144163300 1048476145 /nfs/dbraw/zinc/47/61/45/1048476145.db2.gz ADHHTGDVLGUFNS-UHFFFAOYSA-N 1 0 327.431 4.198 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844756956 1048489928 /nfs/dbraw/zinc/48/99/28/1048489928.db2.gz CVIMUCAMJJKAEB-INIZCTEOSA-N 1 0 335.423 4.003 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)cc1 ZINC000809737995 1048510993 /nfs/dbraw/zinc/51/09/93/1048510993.db2.gz OVDJBNKLKDVHFX-UHFFFAOYSA-N 1 0 349.478 4.154 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)s1 ZINC000809754123 1048520311 /nfs/dbraw/zinc/52/03/11/1048520311.db2.gz CROLICBIGDGRKB-OAHLLOKOSA-N 1 0 341.263 4.140 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2Cl)C2CC2)cc1 ZINC000815591725 1048527956 /nfs/dbraw/zinc/52/79/56/1048527956.db2.gz PAZSVVBPNMNXIM-FQEVSTJZSA-N 1 0 340.854 4.353 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](/N=C\c2cc(Cl)ccc2O)C1 ZINC000920173965 1048570874 /nfs/dbraw/zinc/57/08/74/1048570874.db2.gz HYDPHKARPWQBRI-LXQLMVKLSA-N 1 0 328.843 4.300 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCc1cncc(C(F)(F)F)c1 ZINC001171177027 1048646964 /nfs/dbraw/zinc/64/69/64/1048646964.db2.gz ZYOIZQMQLHUBBQ-AWEZNQCLSA-N 1 0 347.384 4.125 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCc1cncc(C(F)(F)F)c1 ZINC001171177028 1048647316 /nfs/dbraw/zinc/64/73/16/1048647316.db2.gz ZYOIZQMQLHUBBQ-CQSZACIVSA-N 1 0 347.384 4.125 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)ccc3cc(C)ccc32)CC1 ZINC001144413662 1048647638 /nfs/dbraw/zinc/64/76/38/1048647638.db2.gz UOQWETLJGZAFTD-UHFFFAOYSA-N 1 0 336.479 4.227 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001171177806 1048648924 /nfs/dbraw/zinc/64/89/24/1048648924.db2.gz APHNVYZLGATSAE-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC001171178121 1048650906 /nfs/dbraw/zinc/65/09/06/1048650906.db2.gz CNCLOBCROSXNAU-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(C(F)(F)F)c1F ZINC001171178110 1048651439 /nfs/dbraw/zinc/65/14/39/1048651439.db2.gz CHKWJKXHAMFHSD-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@@H](C)Cc1cccc(C#N)c1 ZINC001171183526 1048673408 /nfs/dbraw/zinc/67/34/08/1048673408.db2.gz FSBBKTZEVVHNRN-HNNXBMFYSA-N 1 0 347.462 4.135 20 30 EIEDRO COc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c2ccncc12 ZINC001171186988 1048679838 /nfs/dbraw/zinc/67/98/38/1048679838.db2.gz YBLGCQDBJFWDIS-UHFFFAOYSA-N 1 0 343.386 4.139 20 30 EIEDRO [NH2+]=C(Nc1cccc(-n2cccc2)c1)c1ccc2cc(O)ccc2c1 ZINC001171185335 1048682140 /nfs/dbraw/zinc/68/21/40/1048682140.db2.gz VHGGQUURESEGKR-UHFFFAOYSA-N 1 0 327.387 4.373 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCCC2=O)cc1 ZINC000810212742 1048682249 /nfs/dbraw/zinc/68/22/49/1048682249.db2.gz WXHJQICGWLONPF-VFNWGFHPSA-N 1 0 345.446 4.023 20 30 EIEDRO COc1cccc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1C(F)(F)F ZINC001171185322 1048682416 /nfs/dbraw/zinc/68/24/16/1048682416.db2.gz QKILFALFYRAYSM-ZDUSSCGKSA-N 1 0 348.368 4.306 20 30 EIEDRO CCCc1ccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000920485385 1048682999 /nfs/dbraw/zinc/68/29/99/1048682999.db2.gz AZKSVJZGLOGAOD-UHFFFAOYSA-N 1 0 338.451 4.026 20 30 EIEDRO CC(C)(C)c1ccc([C@H](O)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000810217974 1048685830 /nfs/dbraw/zinc/68/58/30/1048685830.db2.gz DJXZLMYPVAMJQI-NHCUHLMSSA-N 1 0 334.463 4.166 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC001171189708 1048686535 /nfs/dbraw/zinc/68/65/35/1048686535.db2.gz JXKANONBIOASEG-VGSWGCGISA-N 1 0 334.463 4.247 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC001171189722 1048687541 /nfs/dbraw/zinc/68/75/41/1048687541.db2.gz KHHGLONVLPZHQN-SJCJKPOMSA-N 1 0 349.261 4.119 20 30 EIEDRO Cc1cc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)ccc1Br ZINC001171193156 1048695369 /nfs/dbraw/zinc/69/53/69/1048695369.db2.gz UCIAYAHKLUYWDP-CQSZACIVSA-N 1 0 343.268 4.350 20 30 EIEDRO Cc1c(Br)cccc1C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171193714 1048702952 /nfs/dbraw/zinc/70/29/52/1048702952.db2.gz YMBWUMWTNIBUAW-ZDUSSCGKSA-N 1 0 343.268 4.350 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810239259 1048722616 /nfs/dbraw/zinc/72/26/16/1048722616.db2.gz YGNNTIZKYWLFTD-PVUWLOKVSA-N 1 0 343.389 4.433 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1cc(Cl)ccc1O ZINC000810250118 1048727211 /nfs/dbraw/zinc/72/72/11/1048727211.db2.gz IHWPOARNSXXIJU-MRXNPFEDSA-N 1 0 330.815 4.167 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2O)ccc1C#N ZINC000810251824 1048728637 /nfs/dbraw/zinc/72/86/37/1048728637.db2.gz YTNURRQEAPKZLK-GFCCVEGCSA-N 1 0 330.815 4.085 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)ccc1C#N ZINC000810251373 1048729773 /nfs/dbraw/zinc/72/97/73/1048729773.db2.gz RBZZKNBHALCQLZ-AWEZNQCLSA-N 1 0 336.435 4.002 20 30 EIEDRO C#Cc1ccc(CN2CCC([N@H+](CC)Cc3ccccc3)CC2)cc1 ZINC001144573435 1048732669 /nfs/dbraw/zinc/73/26/69/1048732669.db2.gz JQNLDPHJTAPKKH-UHFFFAOYSA-N 1 0 332.491 4.154 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC001171201798 1048756747 /nfs/dbraw/zinc/75/67/47/1048756747.db2.gz RDBNUVPFJXQTIG-RBZFPXEDSA-N 1 0 326.390 4.435 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC001171201783 1048757074 /nfs/dbraw/zinc/75/70/74/1048757074.db2.gz QZAYMEREJDLGSI-AWEZNQCLSA-N 1 0 335.382 4.073 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1Br ZINC001171202355 1048762309 /nfs/dbraw/zinc/76/23/09/1048762309.db2.gz BUVPEXGBCWCZHP-AWEZNQCLSA-N 1 0 343.268 4.384 20 30 EIEDRO C#CC[C@@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000845946236 1048770549 /nfs/dbraw/zinc/77/05/49/1048770549.db2.gz RFKVHFNTCLCXCO-NKELODKYSA-N 1 0 342.483 4.034 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccccc1F ZINC000846043317 1048804819 /nfs/dbraw/zinc/80/48/19/1048804819.db2.gz ADLQZBYTUSNXIE-FQEVSTJZSA-N 1 0 325.431 4.416 20 30 EIEDRO CC[NH+](CC)[C@H](C/N=C\c1cccc(O)c1O)c1ccccc1Cl ZINC000920943914 1048816998 /nfs/dbraw/zinc/81/69/98/1048816998.db2.gz LOOZHHHVMQYKTE-CTPANLQCSA-N 1 0 346.858 4.253 20 30 EIEDRO CC1CC[NH+]([C@@H](C/N=C\c2ccccc2O)c2cccs2)CC1 ZINC000920943967 1048817665 /nfs/dbraw/zinc/81/76/65/1048817665.db2.gz MREQIQAISVJQEL-IZQLPPHKSA-N 1 0 328.481 4.346 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1)c1ccc(OCC#N)cc1 ZINC000846210201 1048848730 /nfs/dbraw/zinc/84/87/30/1048848730.db2.gz LKVQBPZMMHUROA-NDXORKPFSA-N 1 0 336.435 4.160 20 30 EIEDRO N#Cc1ccccc1OC1CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001144743207 1048848814 /nfs/dbraw/zinc/84/88/14/1048848814.db2.gz DVRYQHGKHBCQER-UHFFFAOYSA-N 1 0 349.459 4.211 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001171220764 1048854972 /nfs/dbraw/zinc/85/49/72/1048854972.db2.gz BTJYONTUVQYYBD-SFHVURJKSA-N 1 0 343.474 4.316 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001171221290 1048856298 /nfs/dbraw/zinc/85/62/98/1048856298.db2.gz KBMGNSFHKBPBKB-UZLBHIALSA-N 1 0 337.492 4.141 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)N1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001171231001 1048869986 /nfs/dbraw/zinc/86/99/86/1048869986.db2.gz ZPVBQANRMAZJMF-FOIQADDNSA-N 1 0 340.854 4.216 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)CCc2ccco2)cc(OC)c1OC ZINC000772953809 1048910775 /nfs/dbraw/zinc/91/07/75/1048910775.db2.gz MVNAEPLOVWRVOM-HNNXBMFYSA-N 1 0 329.440 4.136 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc2c(s1)CCCC2 ZINC000772957315 1048936530 /nfs/dbraw/zinc/93/65/30/1048936530.db2.gz DDYLDFGSYXGZEN-CQSZACIVSA-N 1 0 326.465 4.380 20 30 EIEDRO C=C(C)COCC[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000134503575 1048967826 /nfs/dbraw/zinc/96/78/26/1048967826.db2.gz QJQMTPVATRCNJN-UHFFFAOYSA-N 1 0 341.451 4.053 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(Cl)nc(Cl)c3)CCC2)cc1 ZINC000847053780 1048985674 /nfs/dbraw/zinc/98/56/74/1048985674.db2.gz OUYWPJAUMKPFPW-UHFFFAOYSA-N 1 0 332.234 4.429 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC001135968354 1049026821 /nfs/dbraw/zinc/02/68/21/1049026821.db2.gz SSAUYOXTFFKQDS-UHFFFAOYSA-N 1 0 335.451 4.261 20 30 EIEDRO Cc1cc2cc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC001171277786 1049033694 /nfs/dbraw/zinc/03/36/94/1049033694.db2.gz QJZVERRMXJKOIB-UHFFFAOYSA-N 1 0 344.462 4.447 20 30 EIEDRO Cc1ccc([C@H]2CSCC[N@@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000282142976 1049041006 /nfs/dbraw/zinc/04/10/06/1049041006.db2.gz ZQURIQVGRYYZDX-LJQANCHMSA-N 1 0 344.524 4.186 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001136048341 1049053687 /nfs/dbraw/zinc/05/36/87/1049053687.db2.gz ZRSAHEMQQYKXIT-UHFFFAOYSA-N 1 0 339.464 4.181 20 30 EIEDRO COc1ccc(Cl)c2c1C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CC2 ZINC001171288580 1049062905 /nfs/dbraw/zinc/06/29/05/1049062905.db2.gz LXCNYJYUAFNAOL-XJKSGUPXSA-N 1 0 340.854 4.428 20 30 EIEDRO C=CCC1(C(=O)NC[C@H](Cc2ccccc2)[NH+](CC)CC)CCCC1 ZINC001136080758 1049080087 /nfs/dbraw/zinc/08/00/87/1049080087.db2.gz JLURWKNAEVWPRM-FQEVSTJZSA-N 1 0 342.527 4.192 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000811480977 1049099310 /nfs/dbraw/zinc/09/93/10/1049099310.db2.gz LITPQCCPHFFOKK-KRWDZBQOSA-N 1 0 346.833 4.492 20 30 EIEDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000811505333 1049116666 /nfs/dbraw/zinc/11/66/66/1049116666.db2.gz AXUNAMSASRQSJD-FZKQIMNGSA-N 1 0 348.368 4.097 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000818225144 1049117545 /nfs/dbraw/zinc/11/75/45/1049117545.db2.gz ZQUCHEQAAQBREY-UWJYYQICSA-N 1 0 341.426 4.085 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(C#N)cc1 ZINC000818342314 1049135221 /nfs/dbraw/zinc/13/52/21/1049135221.db2.gz OWNNKKKMQNGKKO-PGRDOPGGSA-N 1 0 349.478 4.134 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccco1 ZINC000818342050 1049135422 /nfs/dbraw/zinc/13/54/22/1049135422.db2.gz KTKZUJKJXMXBAO-XLIONFOSSA-N 1 0 340.467 4.412 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCCC2(C)C)ccc1OC ZINC000772980439 1049142555 /nfs/dbraw/zinc/14/25/55/1049142555.db2.gz OKMUIVRKTOKSFE-VQIMIIECSA-N 1 0 330.472 4.435 20 30 EIEDRO COc1ccc(Cl)c2c1C[C@H](NC(=[NH2+])c1ccc(C)c(C)c1)CC2 ZINC001171305810 1049153215 /nfs/dbraw/zinc/15/32/15/1049153215.db2.gz JFVIRKVMOPGQCK-OAHLLOKOSA-N 1 0 342.870 4.228 20 30 EIEDRO N#Cc1ccccc1OCCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170909403 1049174386 /nfs/dbraw/zinc/17/43/86/1049174386.db2.gz UQYOBENEQWPBCX-KRWDZBQOSA-N 1 0 340.854 4.128 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000772983843 1049216342 /nfs/dbraw/zinc/21/63/42/1049216342.db2.gz LLPUJGMMFVMBGG-IFMALSPDSA-N 1 0 334.463 4.478 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001132956296 1049227937 /nfs/dbraw/zinc/22/79/37/1049227937.db2.gz DMNMYUMPVBECGO-UHFFFAOYSA-N 1 0 347.462 4.413 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2sc(C)nc2C)c1 ZINC000772985354 1049242490 /nfs/dbraw/zinc/24/24/90/1049242490.db2.gz QZASETMGZQPGSQ-LRDDRELGSA-N 1 0 329.469 4.292 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2sc(C)nc2C)c1 ZINC000772985360 1049244505 /nfs/dbraw/zinc/24/45/05/1049244505.db2.gz QZASETMGZQPGSQ-WBMJQRKESA-N 1 0 329.469 4.292 20 30 EIEDRO C=CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccncc1 ZINC000819075064 1049258012 /nfs/dbraw/zinc/25/80/12/1049258012.db2.gz ZRXUJZWPDHHCFY-IAGOWNOFSA-N 1 0 336.357 4.041 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ncc(C#N)cc2Cl)CC1 ZINC000609704094 1049274620 /nfs/dbraw/zinc/27/46/20/1049274620.db2.gz ABQJOGCXIMENBW-AWEZNQCLSA-N 1 0 340.858 4.244 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C3CCCC3)C2)cc1Cl ZINC001171332441 1049323038 /nfs/dbraw/zinc/32/30/38/1049323038.db2.gz PYAOXZIFSUYLOL-INIZCTEOSA-N 1 0 345.874 4.052 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1OCC)Cc1cccs1 ZINC000136274321 1049371642 /nfs/dbraw/zinc/37/16/42/1049371642.db2.gz SRXYTXYBLJVFOT-UHFFFAOYSA-N 1 0 344.480 4.164 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000609892842 1049385143 /nfs/dbraw/zinc/38/51/43/1049385143.db2.gz CKQJITLRXFZJID-QGZVFWFLSA-N 1 0 339.870 4.188 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000079393331 1049395812 /nfs/dbraw/zinc/39/58/12/1049395812.db2.gz DBMNLLPPOLMJPB-KRWDZBQOSA-N 1 0 349.544 4.100 20 30 EIEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000064637473 1049400707 /nfs/dbraw/zinc/40/07/07/1049400707.db2.gz MFEVKXDWQZHKTH-OAQYLSRUSA-N 1 0 334.463 4.177 20 30 EIEDRO COc1cccc(O)c1/C=N/CC1([NH+]2CCCCC2)CCCCC1 ZINC000812394503 1049457484 /nfs/dbraw/zinc/45/74/84/1049457484.db2.gz SBINDZQTPYYFLH-RCCKNPSSSA-N 1 0 330.472 4.009 20 30 EIEDRO CC[N@@H+](CC#Cc1ccccc1Cl)CCOc1ccccc1C ZINC001171354129 1049509285 /nfs/dbraw/zinc/50/92/85/1049509285.db2.gz PVQOEEJZKLOOMQ-UHFFFAOYSA-N 1 0 327.855 4.401 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H]2CCc3cc(F)cc(F)c3C2)ccc1Cl ZINC001170681312 1049522648 /nfs/dbraw/zinc/52/26/48/1049522648.db2.gz OBIBGZRPFMYMRI-HNNXBMFYSA-N 1 0 332.781 4.137 20 30 EIEDRO C#CCSCC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000773011838 1049526752 /nfs/dbraw/zinc/52/67/52/1049526752.db2.gz XTSBBDHKRMFDQA-LBPRGKRZSA-N 1 0 334.485 4.275 20 30 EIEDRO C=CCOc1ccccc1[C@@H](C)Nc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001171370707 1049527358 /nfs/dbraw/zinc/52/73/58/1049527358.db2.gz YTFDJIVPJIVJMK-LLVKDONJSA-N 1 0 337.345 4.421 20 30 EIEDRO CC(C)c1nccnc1N=NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000773077963 1049570332 /nfs/dbraw/zinc/57/03/32/1049570332.db2.gz KHSFQLIMVZJVJN-DOTOQJQBSA-N 1 0 329.492 4.042 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)c1sc(CCOC)nc1C)c1ccccc1 ZINC000773116166 1049588642 /nfs/dbraw/zinc/58/86/42/1049588642.db2.gz QAFKXJGPAYVGPF-YOEHRIQHSA-N 1 0 328.481 4.056 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812791936 1049589407 /nfs/dbraw/zinc/58/94/07/1049589407.db2.gz DURBEAPTATXNKQ-DOXZYTNZSA-N 1 0 341.426 4.299 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(OC(C)(C)C)n2)cc1 ZINC000773132552 1049599024 /nfs/dbraw/zinc/59/90/24/1049599024.db2.gz OSGVKATWFZJQFY-MRXNPFEDSA-N 1 0 338.451 4.122 20 30 EIEDRO CC[N@H+](Cc1ccc(Cl)cc1C#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853500 1049612480 /nfs/dbraw/zinc/61/24/80/1049612480.db2.gz RIHSHPGWXDIIBN-AUUYWEPGSA-N 1 0 328.843 4.156 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000511027107 1049620492 /nfs/dbraw/zinc/62/04/92/1049620492.db2.gz HWFUDPFCSMXBFS-WQMHRJNTSA-N 1 0 346.474 4.374 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]2CCC[C@@H]2C(=O)OCC)cc1 ZINC001170965656 1049643696 /nfs/dbraw/zinc/64/36/96/1049643696.db2.gz LDGMHFJQZMNTBR-UFYCRDLUSA-N 1 0 342.483 4.153 20 30 EIEDRO CC(C)([NH2+][C@H]1CCc2cc(F)c(F)cc2C1)c1ccc(C#N)cc1 ZINC001171455020 1049709210 /nfs/dbraw/zinc/70/92/10/1049709210.db2.gz YTQZMNSTZZOFTM-KRWDZBQOSA-N 1 0 326.390 4.219 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000179704010 1049725961 /nfs/dbraw/zinc/72/59/61/1049725961.db2.gz VCUBMSPUPUFXAT-LJQANCHMSA-N 1 0 326.827 4.461 20 30 EIEDRO C=CCC1(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CCC1 ZINC001136542386 1049730936 /nfs/dbraw/zinc/73/09/36/1049730936.db2.gz GHFLSAAUUALIPJ-UHFFFAOYSA-N 1 0 340.511 4.281 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)c1cccc(C#N)c1 ZINC001171505784 1049739818 /nfs/dbraw/zinc/73/98/18/1049739818.db2.gz MBIDREFEMKHGTQ-NHYWBVRUSA-N 1 0 330.353 4.184 20 30 EIEDRO N#Cc1ccc(C2([NH2+][C@H]3CCc4cc(F)c(F)c(F)c4C3)CC2)cc1 ZINC001171517579 1049746050 /nfs/dbraw/zinc/74/60/50/1049746050.db2.gz OYFFPTFCEBNNKE-HNNXBMFYSA-N 1 0 342.364 4.112 20 30 EIEDRO Cc1cc(O)c(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1C ZINC000237759331 1049746445 /nfs/dbraw/zinc/74/64/45/1049746445.db2.gz IMXJBYLADULFLF-UHFFFAOYSA-N 1 0 333.353 4.169 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171590921 1049751761 /nfs/dbraw/zinc/75/17/61/1049751761.db2.gz SGKGCLJIQCWPMZ-PMPSAXMXSA-N 1 0 337.508 4.082 20 30 EIEDRO Cc1cccc2c1CC[C@H](NC(=[NH2+])c1ccc(C(F)(F)F)cc1)C2 ZINC001171551930 1049753482 /nfs/dbraw/zinc/75/34/82/1049753482.db2.gz SMTQSQHNUJJXNA-INIZCTEOSA-N 1 0 332.369 4.277 20 30 EIEDRO Cc1cccc2c1CC[C@@H](NC(=[NH2+])c1ccc(C(F)(F)F)cc1)C2 ZINC001171551931 1049754201 /nfs/dbraw/zinc/75/42/01/1049754201.db2.gz SMTQSQHNUJJXNA-MRXNPFEDSA-N 1 0 332.369 4.277 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCCC#N)C[C@H]1C(C)(C)C ZINC001171581864 1049761321 /nfs/dbraw/zinc/76/13/21/1049761321.db2.gz JXBQXTMGNVYDQD-CVEARBPZSA-N 1 0 337.508 4.084 20 30 EIEDRO C#CC1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C2)CC1 ZINC001171611304 1049764809 /nfs/dbraw/zinc/76/48/09/1049764809.db2.gz AALVIRQIMSXTFC-MSOLQXFVSA-N 1 0 348.531 4.146 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)C1 ZINC001171615493 1049766948 /nfs/dbraw/zinc/76/69/48/1049766948.db2.gz WTCDKXMODDDRCO-KZNAEPCWSA-N 1 0 348.531 4.146 20 30 EIEDRO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(-c3ccccc3F)cc2)cc1 ZINC001170989371 1049768438 /nfs/dbraw/zinc/76/84/38/1049768438.db2.gz RIWYOOFWQSFHKG-UHFFFAOYSA-N 1 0 348.377 4.316 20 30 EIEDRO CCCC[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCc2ncsc2C1 ZINC001171724593 1049785702 /nfs/dbraw/zinc/78/57/02/1049785702.db2.gz WLDXCSSTYGKCBG-SFHVURJKSA-N 1 0 342.483 4.293 20 30 EIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2cccc3ccnn32)cc1 ZINC001170708290 1049790271 /nfs/dbraw/zinc/79/02/71/1049790271.db2.gz SVCJDYFOMBJIKV-NRFANRHFSA-N 1 0 332.451 4.269 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2c(s1)CCCC2)C(C)C ZINC001136650114 1049811813 /nfs/dbraw/zinc/81/18/13/1049811813.db2.gz PXIQODIBUQYIHD-QGZVFWFLSA-N 1 0 346.540 4.055 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2(CC#N)CCCC2)CC12CCC2 ZINC001171845968 1049812248 /nfs/dbraw/zinc/81/22/48/1049812248.db2.gz OGCCOUNRYZYWDC-MRXNPFEDSA-N 1 0 347.503 4.125 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)cc1 ZINC000813782308 1049815743 /nfs/dbraw/zinc/81/57/43/1049815743.db2.gz OBNBLIJMJWEQTI-QGZVFWFLSA-N 1 0 335.442 4.342 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180029090 1049824564 /nfs/dbraw/zinc/82/45/64/1049824564.db2.gz DTVMRWRAZGQDHB-INIZCTEOSA-N 1 0 331.419 4.014 20 30 EIEDRO Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000180090127 1049841987 /nfs/dbraw/zinc/84/19/87/1049841987.db2.gz RXNXTJOPILUNFF-KRWDZBQOSA-N 1 0 341.480 4.244 20 30 EIEDRO CC(C)C[C@H](C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066784 1049851240 /nfs/dbraw/zinc/85/12/40/1049851240.db2.gz BHJQUCWYVZLLJF-MXEMCNAFSA-N 1 0 325.500 4.100 20 30 EIEDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000823521046 1049858714 /nfs/dbraw/zinc/85/87/14/1049858714.db2.gz XLWQYLBDIVCRRO-HZPDHXFCSA-N 1 0 337.508 4.132 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC001172301475 1049873267 /nfs/dbraw/zinc/87/32/67/1049873267.db2.gz PISVKVZIIYOYMI-OAHLLOKOSA-N 1 0 333.460 4.403 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC001172302003 1049873424 /nfs/dbraw/zinc/87/34/24/1049873424.db2.gz BVZUZKYJEAEQJE-HTAPYJJXSA-N 1 0 327.431 4.263 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ncccc1Cl)C1CC1 ZINC001172304022 1049873797 /nfs/dbraw/zinc/87/37/97/1049873797.db2.gz GZQVTVMFCPYWPP-SCLBCKFNSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(Br)s1 ZINC001172304357 1049874159 /nfs/dbraw/zinc/87/41/59/1049874159.db2.gz KHSJSHROZDMHBX-GFCCVEGCSA-N 1 0 349.297 4.146 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCC(C(F)(F)F)C(F)(F)F ZINC001172307892 1049874969 /nfs/dbraw/zinc/87/49/69/1049874969.db2.gz HNDUQRVUJVVQIF-JTQLQIEISA-N 1 0 338.295 4.210 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1nc(C2CC[NH2+]CC2)c2ccccc21 ZINC001172313189 1049875404 /nfs/dbraw/zinc/87/54/04/1049875404.db2.gz RBQWQUJSCLPNAC-MRXNPFEDSA-N 1 0 344.462 4.179 20 30 EIEDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172312804 1049875629 /nfs/dbraw/zinc/87/56/29/1049875629.db2.gz JQRKIXBGPIRFJC-DYESRHJHSA-N 1 0 334.463 4.473 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001172318741 1049876344 /nfs/dbraw/zinc/87/63/44/1049876344.db2.gz HYMGMXXSUWZUMK-UZLBHIALSA-N 1 0 337.492 4.141 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001172318731 1049876353 /nfs/dbraw/zinc/87/63/53/1049876353.db2.gz HYMGMXXSUWZUMK-JXFKEZNVSA-N 1 0 337.492 4.141 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(Br)c1F ZINC001172291478 1049881124 /nfs/dbraw/zinc/88/11/24/1049881124.db2.gz KAEYBKDMKGYFRC-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1Br ZINC001172295345 1049881551 /nfs/dbraw/zinc/88/15/51/1049881551.db2.gz QRHZKKNBJFTRAD-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(Br)c1 ZINC001172294129 1049881956 /nfs/dbraw/zinc/88/19/56/1049881956.db2.gz FYJOWMVXDABIAG-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccncc1Cl)C1CC1 ZINC001172299969 1049882655 /nfs/dbraw/zinc/88/26/55/1049882655.db2.gz PZPDGERUPAJNRX-ORAYPTAESA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001172298916 1049883000 /nfs/dbraw/zinc/88/30/00/1049883000.db2.gz DYNLBPJZJVQZKN-XIKOKIGWSA-N 1 0 349.261 4.119 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c2ccccc12 ZINC001172300258 1049883018 /nfs/dbraw/zinc/88/30/18/1049883018.db2.gz SSSUMZBEFKKAMP-INIZCTEOSA-N 1 0 330.431 4.441 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)C[C@H](C)O1 ZINC000823904520 1049884223 /nfs/dbraw/zinc/88/42/23/1049884223.db2.gz HJQREBYNVRMABU-XOIINTDNSA-N 1 0 326.465 4.332 20 30 EIEDRO CC[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CCO1 ZINC000823904323 1049884309 /nfs/dbraw/zinc/88/43/09/1049884309.db2.gz BNXBTELFGBMOCR-IRXDYDNUSA-N 1 0 326.465 4.334 20 30 EIEDRO CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001172338155 1049887996 /nfs/dbraw/zinc/88/79/96/1049887996.db2.gz AKBHNTNRLQDWOT-QZTJIDSGSA-N 1 0 328.500 4.406 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]CC1CCN(c2ccncn2)CC1 ZINC001172351303 1049892204 /nfs/dbraw/zinc/89/22/04/1049892204.db2.gz SSMRDSGHDTZLDW-IBGZPJMESA-N 1 0 332.536 4.422 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001172356837 1049894677 /nfs/dbraw/zinc/89/46/77/1049894677.db2.gz YNBFMGKNWINFBP-FTEYMNFISA-N 1 0 334.548 4.362 20 30 EIEDRO C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1[C@H](CCC)CCCCCC ZINC001172387558 1049904625 /nfs/dbraw/zinc/90/46/25/1049904625.db2.gz LSFHLAXTFKZKES-MJGOQNOKSA-N 1 0 348.535 4.056 20 30 EIEDRO COc1ccc(C([NH2+][C@@H](C)CCCC#N)c2ccc(OC)cc2)cc1 ZINC001172476884 1049909665 /nfs/dbraw/zinc/90/96/65/1049909665.db2.gz SEOCYWNVKPDSIO-INIZCTEOSA-N 1 0 338.451 4.465 20 30 EIEDRO C[C@H](CCCC#N)n1cc(CC[NH3+])c2ccc(Br)cc21 ZINC001172478223 1049909736 /nfs/dbraw/zinc/90/97/36/1049909736.db2.gz DGLUCLUYRPCQED-GFCCVEGCSA-N 1 0 334.261 4.160 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2Cl)CC1 ZINC001172484665 1049910806 /nfs/dbraw/zinc/91/08/06/1049910806.db2.gz BKSDDWDLJXKEAE-BZUAXINKSA-N 1 0 347.890 4.053 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172483783 1049911481 /nfs/dbraw/zinc/91/14/81/1049911481.db2.gz UEYWOMZHVDPSNR-UWVAXJGDSA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001172492372 1049921328 /nfs/dbraw/zinc/92/13/28/1049921328.db2.gz KNADNVDAAHXRBS-KRWDZBQOSA-N 1 0 349.519 4.182 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCC(C(=O)c2cnc3ccccc3c2)CC1 ZINC001172501615 1049923391 /nfs/dbraw/zinc/92/33/91/1049923391.db2.gz DXOYGXTZBUSXQM-MRXNPFEDSA-N 1 0 335.451 4.212 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CCc2c(ccc(=O)n2C)C1 ZINC001172506238 1049924018 /nfs/dbraw/zinc/92/40/18/1049924018.db2.gz QHKNZWBJLRNMNK-MOPGFXCFSA-N 1 0 332.532 4.361 20 30 EIEDRO CCC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CCCC#N ZINC001172503348 1049924160 /nfs/dbraw/zinc/92/41/60/1049924160.db2.gz FMXMLAXIECFQGX-IRXDYDNUSA-N 1 0 337.508 4.038 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+]Cc1ccnc(OCCOC)n1 ZINC001172507869 1049925708 /nfs/dbraw/zinc/92/57/08/1049925708.db2.gz CGSAFSVAOMTNDG-QGZVFWFLSA-N 1 0 337.508 4.121 20 30 EIEDRO CCCCCCC[C@@H](CCC)[N@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001172510477 1049926774 /nfs/dbraw/zinc/92/67/74/1049926774.db2.gz CWGBHOMJYNSMBJ-QZTJIDSGSA-N 1 0 335.536 4.495 20 30 EIEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001172549111 1049948094 /nfs/dbraw/zinc/94/80/94/1049948094.db2.gz MPLDTCQEMWZCDN-HSALFYBXSA-N 1 0 342.483 4.089 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172629343 1049953519 /nfs/dbraw/zinc/95/35/19/1049953519.db2.gz YRXWVTVCZFTDJF-FUHIMQAGSA-N 1 0 336.520 4.336 20 30 EIEDRO C#CC1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C2)CC1 ZINC001172645247 1049954834 /nfs/dbraw/zinc/95/48/34/1049954834.db2.gz LKKYULBPEYQMQS-MOPGFXCFSA-N 1 0 348.531 4.290 20 30 EIEDRO CCCC[C@H]1C[C@@H]([N@H+](CC)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172652582 1049956408 /nfs/dbraw/zinc/95/64/08/1049956408.db2.gz YDACMVGABPTHHP-IRXDYDNUSA-N 1 0 337.508 4.180 20 30 EIEDRO C=CCOc1ccc(CNC[C@H](C(C)C)[NH+]2CCCC2)cc1Cl ZINC001177209286 1050161825 /nfs/dbraw/zinc/16/18/25/1050161825.db2.gz LFHLFWPTGCRLNX-GOSISDBHSA-N 1 0 336.907 4.115 20 30 EIEDRO Cc1ccc2c(c1)C[C@H]([NH+]1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001172828476 1050165784 /nfs/dbraw/zinc/16/57/84/1050165784.db2.gz UDIGVFKUJSGPRI-JOCHJYFZSA-N 1 0 330.475 4.410 20 30 EIEDRO Cn1cc(C[NH2+]CCCC2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC001177251049 1050175851 /nfs/dbraw/zinc/17/58/51/1050175851.db2.gz QLYVHMLMZWZUJI-UHFFFAOYSA-N 1 0 336.483 4.409 20 30 EIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CCCOc1cccc(C#N)c1 ZINC001172858701 1050196074 /nfs/dbraw/zinc/19/60/74/1050196074.db2.gz FLSXEXQJNRJCGM-CQSZACIVSA-N 1 0 346.833 4.340 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(C#N)c1 ZINC001172904685 1050206273 /nfs/dbraw/zinc/20/62/73/1050206273.db2.gz ZTCMHKNYTNGDSR-PZJWPPBQSA-N 1 0 349.434 4.455 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3nc(Cl)ccc3C#N)cc2)CC1 ZINC001212688967 1050223942 /nfs/dbraw/zinc/22/39/42/1050223942.db2.gz DWHCBNNRSNIGIZ-UHFFFAOYSA-N 1 0 326.831 4.159 20 30 EIEDRO C[C@H](CSc1ccc(Cl)cc1)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001172883384 1050226011 /nfs/dbraw/zinc/22/60/11/1050226011.db2.gz RVXIENWPGATHTO-SNVBAGLBSA-N 1 0 340.279 4.275 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3cnc(C#N)c(Cl)c3)cc2)CC1 ZINC001212689303 1050228371 /nfs/dbraw/zinc/22/83/71/1050228371.db2.gz XVFMKBNPUMTOJU-UHFFFAOYSA-N 1 0 326.831 4.159 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C1CCCCC1 ZINC001172978222 1050251733 /nfs/dbraw/zinc/25/17/33/1050251733.db2.gz JOEYQEHZGVMSQY-BZSNNMDCSA-N 1 0 349.519 4.227 20 30 EIEDRO C(#CC1CC[NH+](C2CCC3(CCOCC3)CC2)CC1)c1ccccc1 ZINC001173049559 1050273319 /nfs/dbraw/zinc/27/33/19/1050273319.db2.gz WVORJTJJQBQSGP-UHFFFAOYSA-N 1 0 337.507 4.490 20 30 EIEDRO CC[NH+](CC)CCn1cc(Nc2sc3ccccc3c2C#N)cn1 ZINC001203253361 1050280089 /nfs/dbraw/zinc/28/00/89/1050280089.db2.gz JDDBTNFKSXTJDQ-UHFFFAOYSA-N 1 0 339.468 4.055 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)cc1 ZINC000763498924 1050314517 /nfs/dbraw/zinc/31/45/17/1050314517.db2.gz FZXZZINJZYNNJP-FGZHOGPDSA-N 1 0 332.447 4.134 20 30 EIEDRO C=C(Cl)C[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(C)cn21 ZINC001177904589 1050323728 /nfs/dbraw/zinc/32/37/28/1050323728.db2.gz KVXINMPETHQHDW-UHFFFAOYSA-N 1 0 329.806 4.291 20 30 EIEDRO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@@H]1CCOC1 ZINC000618275868 1050327065 /nfs/dbraw/zinc/32/70/65/1050327065.db2.gz DIMURUFUKTWCAO-FQEVSTJZSA-N 1 0 348.490 4.245 20 30 EIEDRO CCO[C@@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000618281991 1050328231 /nfs/dbraw/zinc/32/82/31/1050328231.db2.gz BYRKLVCPZDJMFS-JOCHJYFZSA-N 1 0 348.490 4.387 20 30 EIEDRO N#CC(CC[NH2+]C1(CO)CCCCC1)(c1ccccc1)c1ccccc1 ZINC000618287136 1050328892 /nfs/dbraw/zinc/32/88/92/1050328892.db2.gz FPDZPNDCHNKZNJ-UHFFFAOYSA-N 1 0 348.490 4.171 20 30 EIEDRO CC[C@@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181796140 1050335902 /nfs/dbraw/zinc/33/59/02/1050335902.db2.gz YSWVORDQJXYQLR-DYESRHJHSA-N 1 0 325.500 4.081 20 30 EIEDRO Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2)cc1 ZINC000181828200 1050351957 /nfs/dbraw/zinc/35/19/57/1050351957.db2.gz SBVSDFOBSHKZBL-ICSRJNTNSA-N 1 0 349.478 4.217 20 30 EIEDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001173226600 1050357601 /nfs/dbraw/zinc/35/76/01/1050357601.db2.gz MTHVBRQQMJKMCA-QGZVFWFLSA-N 1 0 349.434 4.083 20 30 EIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Oc1cccc(F)c1 ZINC000181874297 1050367475 /nfs/dbraw/zinc/36/74/75/1050367475.db2.gz FQYCJRYOFMBBDQ-MAUKXSAKSA-N 1 0 342.414 4.236 20 30 EIEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1[C@@H](CCCC)CC(C)C ZINC001173254947 1050378629 /nfs/dbraw/zinc/37/86/29/1050378629.db2.gz JGJONSOWSQEOLT-PKOBYXMFSA-N 1 0 333.520 4.127 20 30 EIEDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000181899431 1050380497 /nfs/dbraw/zinc/38/04/97/1050380497.db2.gz KUYCAVOPLPVADR-KRWDZBQOSA-N 1 0 330.435 4.212 20 30 EIEDRO C=CCOCc1ncn2c1C[N@H+]([C@H](CCCC)CC(C)C)CCC2 ZINC001173261571 1050387294 /nfs/dbraw/zinc/38/72/94/1050387294.db2.gz PCAGIHRQSLDDGH-GOSISDBHSA-N 1 0 333.520 4.396 20 30 EIEDRO C[C@H]([NH2+]CCCOc1cccc2cccnc21)c1cccc(C#N)c1 ZINC000181954488 1050394624 /nfs/dbraw/zinc/39/46/24/1050394624.db2.gz GPIVHSMFZYNCPS-INIZCTEOSA-N 1 0 331.419 4.226 20 30 EIEDRO CCc1ccc(C[C@H](C)NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001173237948 1050394992 /nfs/dbraw/zinc/39/49/92/1050394992.db2.gz HAFFPWVOCTZILW-HNNXBMFYSA-N 1 0 332.447 4.444 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C)cc2O[C@H](C)CC)cc1 ZINC001178176163 1050395973 /nfs/dbraw/zinc/39/59/73/1050395973.db2.gz GHCWVGDISLLIIH-GOSISDBHSA-N 1 0 337.463 4.474 20 30 EIEDRO C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc(OCC#N)cc1 ZINC000181973599 1050402019 /nfs/dbraw/zinc/40/20/19/1050402019.db2.gz QSMNZFLNHKDAGR-INIZCTEOSA-N 1 0 336.435 4.371 20 30 EIEDRO C=CCOC1CCC([NH2+]CCCc2cncc(C(F)(F)F)c2)CC1 ZINC001173308394 1050403101 /nfs/dbraw/zinc/40/31/01/1050403101.db2.gz KFBZCFJMYCIEQX-UHFFFAOYSA-N 1 0 342.405 4.136 20 30 EIEDRO C=CCOC1CCC([N@H+](C)Cc2cccc(Br)c2)CC1 ZINC001173321849 1050414947 /nfs/dbraw/zinc/41/49/47/1050414947.db2.gz QRAZIYDVJJBWJB-UHFFFAOYSA-N 1 0 338.289 4.395 20 30 EIEDRO COc1ccc(-c2nc(C[NH2+]C3CCC(CC#N)CC3)cs2)cc1 ZINC001173327440 1050417059 /nfs/dbraw/zinc/41/70/59/1050417059.db2.gz BNXFMSGZZREFJR-UHFFFAOYSA-N 1 0 341.480 4.381 20 30 EIEDRO CC[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000618570139 1050419059 /nfs/dbraw/zinc/41/90/59/1050419059.db2.gz RJQKFMSBFBMEHH-LEWJYISDSA-N 1 0 344.462 4.316 20 30 EIEDRO N#CCC1CCC([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC001173330549 1050419682 /nfs/dbraw/zinc/41/96/82/1050419682.db2.gz SKLGULLBEDAKKD-LAGYLCCXSA-N 1 0 330.447 4.355 20 30 EIEDRO N#CCC1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC001173333874 1050423613 /nfs/dbraw/zinc/42/36/13/1050423613.db2.gz NLEAAXZAVSVEHO-UHFFFAOYSA-N 1 0 346.902 4.450 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2C2CCC(CC#N)CC2)cc1OC ZINC001173339132 1050427999 /nfs/dbraw/zinc/42/79/99/1050427999.db2.gz MPFFQBGBEJKJRR-VJFUWPCTSA-N 1 0 328.456 4.313 20 30 EIEDRO COC[C@H](C)[N@H+](Cc1cccc(OC)c1)C1CCC(CC#N)CC1 ZINC001173337300 1050428402 /nfs/dbraw/zinc/42/84/02/1050428402.db2.gz FXXSTJWHZPDBBC-MUYFXNHWSA-N 1 0 330.472 4.005 20 30 EIEDRO CCOC(=O)CCC[N@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173339101 1050428568 /nfs/dbraw/zinc/42/85/68/1050428568.db2.gz CQRMHQPGJPFPBR-UHFFFAOYSA-N 1 0 342.483 4.304 20 30 EIEDRO C=CCOC1CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC001173314989 1050439748 /nfs/dbraw/zinc/43/97/48/1050439748.db2.gz YSFQXHFHMDZIJO-SEEARECTSA-N 1 0 344.282 4.130 20 30 EIEDRO C=CCOC1CCC(n2c(CCC[NH3+])nc3ccc(Cl)cc32)CC1 ZINC001173315724 1050439914 /nfs/dbraw/zinc/43/99/14/1050439914.db2.gz QRCDZHNNXLPQFH-UHFFFAOYSA-N 1 0 347.890 4.267 20 30 EIEDRO C=CCOC1CCC([NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001173314197 1050439995 /nfs/dbraw/zinc/43/99/95/1050439995.db2.gz LWJJJAFAIYUXLP-XVAXZDLZSA-N 1 0 347.474 4.397 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2cc(Br)cs2)CC1 ZINC001173317679 1050440661 /nfs/dbraw/zinc/44/06/61/1050440661.db2.gz NIWIKWOYVWFCFO-UHFFFAOYSA-N 1 0 344.318 4.157 20 30 EIEDRO CC[N@@H+]1CC[C@@H](N(Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)C1 ZINC001173367238 1050442571 /nfs/dbraw/zinc/44/25/71/1050442571.db2.gz FGYQNZCNWZBONR-PGRDOPGGSA-N 1 0 333.479 4.216 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC001203277001 1050445206 /nfs/dbraw/zinc/44/52/06/1050445206.db2.gz XODARVRBAAQFNS-IBGZPJMESA-N 1 0 347.886 4.181 20 30 EIEDRO CCCCCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173424698 1050454509 /nfs/dbraw/zinc/45/45/09/1050454509.db2.gz DVVGMGROSXVVMR-QGZVFWFLSA-N 1 0 341.499 4.111 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000182082536 1050457683 /nfs/dbraw/zinc/45/76/83/1050457683.db2.gz GGNOXDONNKRGNK-SJORKVTESA-N 1 0 338.451 4.127 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000182082573 1050457723 /nfs/dbraw/zinc/45/77/23/1050457723.db2.gz GGNOXDONNKRGNK-IAGOWNOFSA-N 1 0 338.451 4.127 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173475031 1050458598 /nfs/dbraw/zinc/45/85/98/1050458598.db2.gz FLUQXHWPFIBPKT-ZDUSSCGKSA-N 1 0 329.390 4.348 20 30 EIEDRO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]Cc1ccc(C#N)nc1 ZINC001173547798 1050483719 /nfs/dbraw/zinc/48/37/19/1050483719.db2.gz TZLBVIPZZQYCOK-LBPRGKRZSA-N 1 0 334.250 4.371 20 30 EIEDRO Cc1c(F)cccc1CN1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173591485 1050494378 /nfs/dbraw/zinc/49/43/78/1050494378.db2.gz KZGJVDYBWGKRSY-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001173591037 1050495643 /nfs/dbraw/zinc/49/56/43/1050495643.db2.gz HWEVLFPMFYCEJE-LXPRWKDFSA-N 1 0 347.300 4.368 20 30 EIEDRO CC1(C#N)CCC(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001173593196 1050496785 /nfs/dbraw/zinc/49/67/85/1050496785.db2.gz GADRAZXFGZLCHW-AEAFLJPSSA-N 1 0 337.511 4.055 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2cc(Br)cs2)CC1 ZINC001173593243 1050496842 /nfs/dbraw/zinc/49/68/42/1050496842.db2.gz KBYRSHLSOSDRPL-UHFFFAOYSA-N 1 0 327.291 4.115 20 30 EIEDRO C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173592351 1050497467 /nfs/dbraw/zinc/49/74/67/1050497467.db2.gz NCYZZIBONFCXJS-RIGHFQGKSA-N 1 0 349.519 4.084 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(F)ccc1N(C)C[C@H](C)CC ZINC001178584663 1050499708 /nfs/dbraw/zinc/49/97/08/1050499708.db2.gz NLJKGMPYYMAEGF-LZJOCLMNSA-N 1 0 348.506 4.379 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(Br)cc1 ZINC000618741697 1050500165 /nfs/dbraw/zinc/50/01/65/1050500165.db2.gz LHMBRMVYHFCWDA-KRWDZBQOSA-N 1 0 327.225 4.098 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000618741619 1050501277 /nfs/dbraw/zinc/50/12/77/1050501277.db2.gz HQFJXLFGRPLOHH-GOSISDBHSA-N 1 0 346.352 4.276 20 30 EIEDRO COC(=O)[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)[C@H](c2ccccc2)C1 ZINC001173600785 1050501667 /nfs/dbraw/zinc/50/16/67/1050501667.db2.gz JHNJOBKBELSTBP-SVCPCHAPSA-N 1 0 340.467 4.085 20 30 EIEDRO C[N@H+](C1CCC(C)(C#N)CC1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001173600929 1050502445 /nfs/dbraw/zinc/50/24/45/1050502445.db2.gz MKKKWDRRDWUJMK-MUZJZNNISA-N 1 0 349.519 4.227 20 30 EIEDRO C=CC[C@H](CO)[NH2+]Cc1cc(F)ccc1Oc1ccc(SC)cc1 ZINC001178589012 1050502885 /nfs/dbraw/zinc/50/28/85/1050502885.db2.gz AICCFQUGJKBCMF-MRXNPFEDSA-N 1 0 347.455 4.367 20 30 EIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1C ZINC000618802395 1050520475 /nfs/dbraw/zinc/52/04/75/1050520475.db2.gz DNQIFLHQHWFGSD-YCRPNKLZSA-N 1 0 347.462 4.169 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1 ZINC000618803042 1050533674 /nfs/dbraw/zinc/53/36/74/1050533674.db2.gz GRHFJDKVFCCLCW-BTYIYWSLSA-N 1 0 328.419 4.082 20 30 EIEDRO N#Cc1nc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)sc1Cl ZINC001187352725 1050534196 /nfs/dbraw/zinc/53/41/96/1050534196.db2.gz UWNSSWDKAUFYAL-AWEZNQCLSA-N 1 0 346.887 4.135 20 30 EIEDRO C#CCN(C)CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC001178826411 1050564555 /nfs/dbraw/zinc/56/45/55/1050564555.db2.gz BZVZLLNKLGIMMC-UHFFFAOYSA-N 1 0 332.900 4.113 20 30 EIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(C)c(Br)c2C)c1 ZINC001178949709 1050594930 /nfs/dbraw/zinc/59/49/30/1050594930.db2.gz JAFPYQJTVDXLSQ-UHFFFAOYSA-N 1 0 328.253 4.337 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001178972256 1050601540 /nfs/dbraw/zinc/60/15/40/1050601540.db2.gz RBKDKUQHOWEVQY-GOSISDBHSA-N 1 0 338.495 4.347 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001178986107 1050605055 /nfs/dbraw/zinc/60/50/55/1050605055.db2.gz HAWUQKNDJACXAZ-NHYWBVRUSA-N 1 0 344.680 4.092 20 30 EIEDRO CC[C@H]1CCC[C@H](C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC001179053392 1050617228 /nfs/dbraw/zinc/61/72/28/1050617228.db2.gz KYWBGISAAWRCPR-ICSRJNTNSA-N 1 0 339.527 4.329 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2cccc(F)c2)C2CCCC2)cc1 ZINC000763518441 1050618543 /nfs/dbraw/zinc/61/85/43/1050618543.db2.gz YTHQKWQRGGEXED-NRFANRHFSA-N 1 0 338.426 4.176 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@H+](Cc2cccc(F)c2)C2CCCC2)cc1 ZINC000763518464 1050618814 /nfs/dbraw/zinc/61/88/14/1050618814.db2.gz YTHQKWQRGGEXED-OAQYLSRUSA-N 1 0 338.426 4.176 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(N2CCCCC2)c(C#N)c1 ZINC001173931446 1050653434 /nfs/dbraw/zinc/65/34/34/1050653434.db2.gz GOHZYUZULUUPFN-UHFFFAOYSA-N 1 0 334.467 4.354 20 30 EIEDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)cc1 ZINC001179419617 1050695768 /nfs/dbraw/zinc/69/57/68/1050695768.db2.gz PQEVSKFIFGFZMD-JOCHJYFZSA-N 1 0 347.506 4.442 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508589 1050796891 /nfs/dbraw/zinc/79/68/91/1050796891.db2.gz NNJVQEUMWWAHKO-IBGZPJMESA-N 1 0 342.483 4.427 20 30 EIEDRO C=CC[N@@H+](CCC[C@@H]1CCO1)Cc1cc(Br)ccc1F ZINC001179858175 1050797439 /nfs/dbraw/zinc/79/74/39/1050797439.db2.gz ALGBXFTYZBIPBO-OAHLLOKOSA-N 1 0 342.252 4.145 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001179822602 1050801906 /nfs/dbraw/zinc/80/19/06/1050801906.db2.gz QKCRMUYVPHTTFX-YMISUZCDSA-N 1 0 333.479 4.470 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cc3ccccc3[nH]c2=O)cc1 ZINC001179826142 1050802015 /nfs/dbraw/zinc/80/20/15/1050802015.db2.gz SUAPFMFFDZLHGS-UHFFFAOYSA-N 1 0 331.419 4.031 20 30 EIEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000775182494 1050805792 /nfs/dbraw/zinc/80/57/92/1050805792.db2.gz AHNQTABYPLJKSU-CQSZACIVSA-N 1 0 326.827 4.046 20 30 EIEDRO Cc1ccc(CC[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@@H]2CCCO2)cc1 ZINC001179878418 1050814403 /nfs/dbraw/zinc/81/44/03/1050814403.db2.gz PWWTUVYBRHINTD-QHCPKHFHSA-N 1 0 348.490 4.399 20 30 EIEDRO CN(CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccc(F)cc1 ZINC000070741312 1050841503 /nfs/dbraw/zinc/84/15/03/1050841503.db2.gz JOBAIDVMECOZFS-UHFFFAOYSA-N 1 0 349.409 4.009 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC001180051935 1050868934 /nfs/dbraw/zinc/86/89/34/1050868934.db2.gz MRTBFQPPWRTMMZ-SJLPKXTDSA-N 1 0 335.900 4.212 20 30 EIEDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755923 1050884945 /nfs/dbraw/zinc/88/49/45/1050884945.db2.gz ZEPXREGXSZUODI-GFCCVEGCSA-N 1 0 329.787 4.279 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)CCCO2 ZINC000619755931 1050885419 /nfs/dbraw/zinc/88/54/19/1050885419.db2.gz ZKXGEEVRXYLRGO-SFHVURJKSA-N 1 0 342.826 4.224 20 30 EIEDRO C#CC[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)CC1CC1 ZINC001180117153 1050890754 /nfs/dbraw/zinc/89/07/54/1050890754.db2.gz SMYWJPCDXHTHHH-UHFFFAOYSA-N 1 0 346.190 4.313 20 30 EIEDRO CCOc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)c1 ZINC000775215818 1050894271 /nfs/dbraw/zinc/89/42/71/1050894271.db2.gz XSXOTTUKAVSLTN-CQSZACIVSA-N 1 0 344.842 4.492 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)cc1Cl ZINC000619748443 1050894466 /nfs/dbraw/zinc/89/44/66/1050894466.db2.gz LNHJHMVIMYRMAF-UHFFFAOYSA-N 1 0 340.732 4.400 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2c(C3CC3)nc3sccn23)cc1Cl ZINC000619748424 1050894715 /nfs/dbraw/zinc/89/47/15/1050894715.db2.gz DVWJRIVQSKIAOY-UHFFFAOYSA-N 1 0 342.855 4.088 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(-c3ccccn3)s2)cc1Cl ZINC000619748930 1050896287 /nfs/dbraw/zinc/89/62/87/1050896287.db2.gz YXUUMFNLYDLJBJ-UHFFFAOYSA-N 1 0 340.839 4.020 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1Cl ZINC000619749109 1050896648 /nfs/dbraw/zinc/89/66/48/1050896648.db2.gz KYNMPXHVACOLFA-CRAIPNDOSA-N 1 0 325.843 4.423 20 30 EIEDRO CCCOc1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)ccc1OC ZINC000619749056 1050896767 /nfs/dbraw/zinc/89/67/67/1050896767.db2.gz YTTAOULVMKONAC-UHFFFAOYSA-N 1 0 344.842 4.299 20 30 EIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](c1ccccc1)C(C)C ZINC001180185141 1050897374 /nfs/dbraw/zinc/89/73/74/1050897374.db2.gz XNOPREPOIPFCFA-QFIPXVFZSA-N 1 0 336.479 4.446 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)COc2ccc(F)cc2F)cc1 ZINC000619776285 1050898025 /nfs/dbraw/zinc/89/80/25/1050898025.db2.gz QZPCKNFEGCQUIN-CQSZACIVSA-N 1 0 333.378 4.087 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1F ZINC000619847252 1050927170 /nfs/dbraw/zinc/92/71/70/1050927170.db2.gz HKSKKKOMQLVUIL-CYBMUJFWSA-N 1 0 346.833 4.328 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccccc2OC(F)F)CC1 ZINC000153018605 1050934320 /nfs/dbraw/zinc/93/43/20/1050934320.db2.gz RPHGBRCRWXPQNC-KRWDZBQOSA-N 1 0 338.442 4.369 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N(CCC)CCC[NH+](C)C)c1 ZINC001189268415 1050953947 /nfs/dbraw/zinc/95/39/47/1050953947.db2.gz GMZSJCSYPHXTBI-UHFFFAOYSA-N 1 0 345.531 4.328 20 30 EIEDRO C=CC[NH+](CC=C)Cc1cc(C)c(I)cc1C ZINC001180375459 1050975061 /nfs/dbraw/zinc/97/50/61/1050975061.db2.gz QZZHPEDIAXQDME-UHFFFAOYSA-N 1 0 341.236 4.082 20 30 EIEDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc(Cl)c(C#N)c3)cccc21 ZINC001174404242 1050976895 /nfs/dbraw/zinc/97/68/95/1050976895.db2.gz JMYUHFGDMWANLD-QGZVFWFLSA-N 1 0 327.815 4.340 20 30 EIEDRO Cc1ccccc1[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(C)C ZINC000183208956 1051019393 /nfs/dbraw/zinc/01/93/93/1051019393.db2.gz ARLVODFAMKRWHR-GOSISDBHSA-N 1 0 341.480 4.244 20 30 EIEDRO C[C@H](C#N)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC001189746801 1051048560 /nfs/dbraw/zinc/04/85/60/1051048560.db2.gz XMBMANAQDMWFDC-OAHLLOKOSA-N 1 0 337.423 4.145 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)ccc1OC ZINC000775306827 1051053281 /nfs/dbraw/zinc/05/32/81/1051053281.db2.gz YIHCPQRVUWHNKB-QRQLOZEOSA-N 1 0 342.483 4.458 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccc(OCC#N)cc1 ZINC000775336075 1051076234 /nfs/dbraw/zinc/07/62/34/1051076234.db2.gz BEBVEJOAOJMDEX-OAHLLOKOSA-N 1 0 339.439 4.012 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1cccc(C#N)c1 ZINC000775335280 1051081536 /nfs/dbraw/zinc/08/15/36/1051081536.db2.gz HBSKSRPCCFYULP-AWEZNQCLSA-N 1 0 339.464 4.183 20 30 EIEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001180801752 1051088567 /nfs/dbraw/zinc/08/85/67/1051088567.db2.gz IXPKTSIRWIMCFY-KXBFYZLASA-N 1 0 336.483 4.263 20 30 EIEDRO C=C(C)Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC001190232214 1051135433 /nfs/dbraw/zinc/13/54/33/1051135433.db2.gz WEISNYLUWIYTQL-JOCHJYFZSA-N 1 0 348.490 4.372 20 30 EIEDRO C=C(C)Cc1ccc(C(=O)N(CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001190239692 1051139656 /nfs/dbraw/zinc/13/96/56/1051139656.db2.gz WXCURWCVEVUDAJ-MXVIHJGJSA-N 1 0 328.500 4.173 20 30 EIEDRO C#CCCCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780728184 1051142377 /nfs/dbraw/zinc/14/23/77/1051142377.db2.gz ITPKAVHIZYTQGI-ROUUACIJSA-N 1 0 328.456 4.090 20 30 EIEDRO C#CCCCCCC[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC001174725055 1051152216 /nfs/dbraw/zinc/15/22/16/1051152216.db2.gz MKWJYAVWHHHRAK-QGZVFWFLSA-N 1 0 327.390 4.086 20 30 EIEDRO C=CCSCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780729451 1051202568 /nfs/dbraw/zinc/20/25/68/1051202568.db2.gz XCCUVLVHPNNYNR-SJORKVTESA-N 1 0 348.512 4.206 20 30 EIEDRO Cc1cccc(C)c1OCCC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001174873145 1051225576 /nfs/dbraw/zinc/22/55/76/1051225576.db2.gz NMMYINZTSUEEGX-UHFFFAOYSA-N 1 0 349.478 4.219 20 30 EIEDRO CC[N@H+](CCOc1ccccc1C#N)Cc1ccc(C(F)(F)F)cc1 ZINC001190597647 1051230887 /nfs/dbraw/zinc/23/08/87/1051230887.db2.gz QATQHPMKDSRSOW-UHFFFAOYSA-N 1 0 348.368 4.478 20 30 EIEDRO N#Cc1ccc(C[N@H+](CCc2ccccc2)Cc2ccncc2)cc1F ZINC001181471368 1051233353 /nfs/dbraw/zinc/23/33/53/1051233353.db2.gz DZCDNJHSQRJICC-UHFFFAOYSA-N 1 0 345.421 4.337 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(C)cn21)C(C)C ZINC001181578041 1051257341 /nfs/dbraw/zinc/25/73/41/1051257341.db2.gz WRRSOHILCJFKMP-GOSISDBHSA-N 1 0 335.426 4.196 20 30 EIEDRO C[C@H]1CCC[C@@H](CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001190818741 1051282800 /nfs/dbraw/zinc/28/28/00/1051282800.db2.gz NOSGHUZALHWQNF-OALUTQOASA-N 1 0 325.500 4.287 20 30 EIEDRO C[C@@H]1CCC[C@H](CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001190818743 1051284609 /nfs/dbraw/zinc/28/46/09/1051284609.db2.gz NOSGHUZALHWQNF-RTBURBONSA-N 1 0 325.500 4.287 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1c1ccccc1OC ZINC001190855281 1051285843 /nfs/dbraw/zinc/28/58/43/1051285843.db2.gz QUCSXHMVFOMGNA-IBGZPJMESA-N 1 0 336.435 4.303 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000775415220 1051287903 /nfs/dbraw/zinc/28/79/03/1051287903.db2.gz LTQYROGJMWWNQZ-SFTDATJTSA-N 1 0 332.447 4.039 20 30 EIEDRO CC(C)(C)SCCC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001174984909 1051303947 /nfs/dbraw/zinc/30/39/47/1051303947.db2.gz UFDNUANAZVLGSJ-UHFFFAOYSA-N 1 0 331.529 4.356 20 30 EIEDRO CCCCC[N@H+](C)CCC(=O)Nc1sc2ccccc2c1C#N ZINC001181860246 1051329823 /nfs/dbraw/zinc/32/98/23/1051329823.db2.gz UCPMWFULILSVCY-UHFFFAOYSA-N 1 0 329.469 4.224 20 30 EIEDRO CCCCCCCCNC(=O)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001191055291 1051334726 /nfs/dbraw/zinc/33/47/26/1051334726.db2.gz NNUUQEKFKBKJBD-UHFFFAOYSA-N 1 0 349.563 4.397 20 30 EIEDRO CCCCCCCCNC(=O)N(C)C1CC[NH+](CCCC)CC1 ZINC001191069401 1051338970 /nfs/dbraw/zinc/33/89/70/1051338970.db2.gz KTNNUFSHZHNEKD-UHFFFAOYSA-N 1 0 325.541 4.253 20 30 EIEDRO CCCCCCCNC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC001191111891 1051355046 /nfs/dbraw/zinc/35/50/46/1051355046.db2.gz VCEMUVHQRFMBPB-QGZVFWFLSA-N 1 0 333.476 4.164 20 30 EIEDRO C#C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC001182020940 1051384016 /nfs/dbraw/zinc/38/40/16/1051384016.db2.gz QTSJZPHLQFOKCT-YADHBBJMSA-N 1 0 348.465 4.287 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC001182021182 1051384619 /nfs/dbraw/zinc/38/46/19/1051384619.db2.gz SDMOHZWXLMCVIU-UHFFFAOYSA-N 1 0 327.424 4.425 20 30 EIEDRO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001191183566 1051390903 /nfs/dbraw/zinc/39/09/03/1051390903.db2.gz SGOHALRDTCOMGL-JTSKRJEESA-N 1 0 347.462 4.278 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC001175202932 1051420539 /nfs/dbraw/zinc/42/05/39/1051420539.db2.gz HMUDMYCBLFTHIA-NRFANRHFSA-N 1 0 338.451 4.241 20 30 EIEDRO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC001182217050 1051434624 /nfs/dbraw/zinc/43/46/24/1051434624.db2.gz YYUOFVIHLFIKIV-SIKLNZKXSA-N 1 0 332.447 4.132 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000774149499 1051483970 /nfs/dbraw/zinc/48/39/70/1051483970.db2.gz XATTZLSBVWJXCA-QZTJIDSGSA-N 1 0 348.368 4.351 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001191681607 1051504813 /nfs/dbraw/zinc/50/48/13/1051504813.db2.gz FOONFVWPWFPFHT-UHFFFAOYSA-N 1 0 335.407 4.248 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000774240194 1051513210 /nfs/dbraw/zinc/51/32/10/1051513210.db2.gz IZIJNJCGBMZHMF-QZTJIDSGSA-N 1 0 348.368 4.351 20 30 EIEDRO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000774359416 1051561387 /nfs/dbraw/zinc/56/13/87/1051561387.db2.gz PDZCUEOXLJJWBV-OALUTQOASA-N 1 0 328.843 4.160 20 30 EIEDRO C[C@]12CN([C@@H](C#N)c3ccccc3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001175382987 1051562669 /nfs/dbraw/zinc/56/26/69/1051562669.db2.gz YXIXFTCGRZZBET-RJGXRXQPSA-N 1 0 345.490 4.095 20 30 EIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC001182453757 1051581531 /nfs/dbraw/zinc/58/15/31/1051581531.db2.gz VRRPDXOPSYIVMT-CQSZACIVSA-N 1 0 349.297 4.493 20 30 EIEDRO COc1cc(C)c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000774483046 1051610370 /nfs/dbraw/zinc/61/03/70/1051610370.db2.gz JNGKGXOCKFCJGU-UHFFFAOYSA-N 1 0 349.478 4.260 20 30 EIEDRO Cc1oc2ccccc2c1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000183914764 1051643866 /nfs/dbraw/zinc/64/38/66/1051643866.db2.gz RECSLZGNFIIPMY-UHFFFAOYSA-N 1 0 333.435 4.381 20 30 EIEDRO Cn1cc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC001182772555 1051707733 /nfs/dbraw/zinc/70/77/33/1051707733.db2.gz IAAZPUXHOVZGOW-HXUWFJFHSA-N 1 0 348.494 4.361 20 30 EIEDRO Cc1ccc([C@H]2CC[N@H+](C[C@@H](O)c3cccc(C#N)c3)C2(C)C)cc1 ZINC001175714666 1051734694 /nfs/dbraw/zinc/73/46/94/1051734694.db2.gz JLWFSDKJMLATEI-NHCUHLMSSA-N 1 0 334.463 4.168 20 30 EIEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC(c2ccc3ccccc3c2)CC1 ZINC001183045406 1051768513 /nfs/dbraw/zinc/76/85/13/1051768513.db2.gz ZECYBZPVCNZECD-UHFFFAOYSA-N 1 0 348.490 4.198 20 30 EIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc(OCCCCCC)cc1 ZINC001183076058 1051773179 /nfs/dbraw/zinc/77/31/79/1051773179.db2.gz OURUTZUEJMBAHN-UHFFFAOYSA-N 1 0 330.472 4.236 20 30 EIEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)cc1 ZINC001183024863 1051774448 /nfs/dbraw/zinc/77/44/48/1051774448.db2.gz QCRCQPHVHHDUHB-QGZVFWFLSA-N 1 0 325.839 4.325 20 30 EIEDRO C[N@H+](CCCCC(C)(C)C#N)C1CCN(Cc2ccccc2)CC1 ZINC000277800789 1051800889 /nfs/dbraw/zinc/80/08/89/1051800889.db2.gz UCLNSHSTNWDYNW-UHFFFAOYSA-N 1 0 327.516 4.303 20 30 EIEDRO COc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc2ccccc21 ZINC001183179220 1051801643 /nfs/dbraw/zinc/80/16/43/1051801643.db2.gz BLVUXJAHOXDPSR-UHFFFAOYSA-N 1 0 342.442 4.473 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001192949930 1051834688 /nfs/dbraw/zinc/83/46/88/1051834688.db2.gz SINPLTMXMRAHEM-KRWDZBQOSA-N 1 0 346.519 4.099 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)NCC1CC[NH+](C2CCC2)CC1 ZINC001192949475 1051835354 /nfs/dbraw/zinc/83/53/54/1051835354.db2.gz CUHOQPMVFHTEIW-KRWDZBQOSA-N 1 0 337.552 4.299 20 30 EIEDRO C=CC[C@@H]1CC[C@@H](Nc2ccc(N3CC[NH+](CC)CC3)c(F)c2)C1 ZINC001183463717 1051846225 /nfs/dbraw/zinc/84/62/25/1051846225.db2.gz JKJOQCQXORPGLQ-IAGOWNOFSA-N 1 0 331.479 4.124 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000774640951 1051853096 /nfs/dbraw/zinc/85/30/96/1051853096.db2.gz XRWUGEVVKBROOV-HSALFYBXSA-N 1 0 340.854 4.145 20 30 EIEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183511310 1051861227 /nfs/dbraw/zinc/86/12/27/1051861227.db2.gz LMMQHBMQDQYPKW-HYVNUMGLSA-N 1 0 327.390 4.258 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccc(Br)cc3c2)C1 ZINC001183561817 1051863077 /nfs/dbraw/zinc/86/30/77/1051863077.db2.gz VSSGCRQAMPMJJK-PXAZEXFGSA-N 1 0 329.241 4.384 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001183532971 1051863768 /nfs/dbraw/zinc/86/37/68/1051863768.db2.gz ITROWCXDDZEYDY-LJQANCHMSA-N 1 0 347.506 4.367 20 30 EIEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(Cl)c(C)cc2Br)C1 ZINC001176070805 1051886156 /nfs/dbraw/zinc/88/61/56/1051886156.db2.gz QEFGHVPBRXCNJN-LBPRGKRZSA-N 1 0 326.665 4.256 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCCCCC2)c(C#N)c1C ZINC001193260417 1051891610 /nfs/dbraw/zinc/89/16/10/1051891610.db2.gz IKRIFCNHUMPNDK-KGLIPLIRSA-N 1 0 331.460 4.044 20 30 EIEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(C)(C)C)CC1 ZINC001193437283 1051919729 /nfs/dbraw/zinc/91/97/29/1051919729.db2.gz BTVUPWKSLUJSRN-QGZVFWFLSA-N 1 0 341.499 4.080 20 30 EIEDRO CN(CC#Cc1cccc(Cl)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC001193616068 1051954336 /nfs/dbraw/zinc/95/43/36/1051954336.db2.gz IIHSXLRKIKVGPE-UHFFFAOYSA-N 1 0 332.919 4.278 20 30 EIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001193649280 1051966538 /nfs/dbraw/zinc/96/65/38/1051966538.db2.gz NRGSILAXHRGBJR-HOJAQTOUSA-N 1 0 339.483 4.002 20 30 EIEDRO C#CCC1([NH2+]Cc2cc(Cl)c(C)cc2Br)CCC1 ZINC001176381656 1052027001 /nfs/dbraw/zinc/02/70/01/1052027001.db2.gz QXIGJNKZAOJXRQ-UHFFFAOYSA-N 1 0 326.665 4.447 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)C[N@@H+](CC2CCC2)C(C)C)cc1C ZINC001193905003 1052027255 /nfs/dbraw/zinc/02/72/55/1052027255.db2.gz DLVBPARBFSYHDG-UHFFFAOYSA-N 1 0 341.499 4.061 20 30 EIEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2nc(CC)c(C)s2)CCCC1(C)C ZINC001193919925 1052028457 /nfs/dbraw/zinc/02/84/57/1052028457.db2.gz HCMSJFDUEXANCN-OAHLLOKOSA-N 1 0 335.517 4.019 20 30 EIEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC001193943376 1052045306 /nfs/dbraw/zinc/04/53/06/1052045306.db2.gz VQICKOUVPIOMOJ-SFHVURJKSA-N 1 0 326.415 4.340 20 30 EIEDRO CCc1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC001194279235 1052112962 /nfs/dbraw/zinc/11/29/62/1052112962.db2.gz GXFCIDIWJGWBDL-UHFFFAOYSA-N 1 0 339.870 4.096 20 30 EIEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001184864330 1052120961 /nfs/dbraw/zinc/12/09/61/1052120961.db2.gz HHSQWKGVVBDEJP-IYBDPMFKSA-N 1 0 328.504 4.031 20 30 EIEDRO C=CCn1cc(Nc2cccc3c2C[N@H+](C)C[C@H]3c2ccccc2)cn1 ZINC001176550632 1052129128 /nfs/dbraw/zinc/12/91/28/1052129128.db2.gz RFRFFVQULQPWGA-FQEVSTJZSA-N 1 0 344.462 4.390 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194476997 1052157168 /nfs/dbraw/zinc/15/71/68/1052157168.db2.gz HBBWQSBDWRGKMX-LJQANCHMSA-N 1 0 335.407 4.155 20 30 EIEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1c2ccccc2oc1C(C)=O ZINC001176798003 1052194180 /nfs/dbraw/zinc/19/41/80/1052194180.db2.gz JHLAZQRXDBZNMX-CQSZACIVSA-N 1 0 342.439 4.251 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1csc2ccccc21 ZINC001176828345 1052195641 /nfs/dbraw/zinc/19/56/41/1052195641.db2.gz RVBWPSYYKBXOEL-AWEZNQCLSA-N 1 0 349.459 4.452 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCC=CO2)cc1 ZINC000774845029 1052201352 /nfs/dbraw/zinc/20/13/52/1052201352.db2.gz HAZBRBQEMFVHEU-OAQYLSRUSA-N 1 0 336.410 4.392 20 30 EIEDRO Cc1nsc(NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)c1C#N ZINC001185273688 1052207434 /nfs/dbraw/zinc/20/74/34/1052207434.db2.gz VPDILHBGWKPZNK-CQSZACIVSA-N 1 0 340.496 4.399 20 30 EIEDRO C#CCOc1ccc(C[NH2+]CCCSc2ccc(F)cc2)cc1 ZINC001177166325 1052234285 /nfs/dbraw/zinc/23/42/85/1052234285.db2.gz OHQCMTIVEIUQRJ-UHFFFAOYSA-N 1 0 329.440 4.110 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)ccc1C#N ZINC000774913987 1052283533 /nfs/dbraw/zinc/28/35/33/1052283533.db2.gz UGGQVVYDXCXIKT-LEWJYISDSA-N 1 0 338.426 4.094 20 30 EIEDRO C=CC1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000171882232 1052457742 /nfs/dbraw/zinc/45/77/42/1052457742.db2.gz ONAIXRBRKGWISO-UHFFFAOYSA-N 1 0 348.490 4.357 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)CC(F)(F)F)cc1OC ZINC000623494614 1052665380 /nfs/dbraw/zinc/66/53/80/1052665380.db2.gz XBUDLRKAXSJDPQ-SNVBAGLBSA-N 1 0 337.769 4.344 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)Cc2ccccn2)cc1OC ZINC000623561819 1052680402 /nfs/dbraw/zinc/68/04/02/1052680402.db2.gz YUEUNAYPGLVYBN-CQSZACIVSA-N 1 0 346.858 4.029 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC[C@H]2CC2(F)F)cc1OC ZINC000623575726 1052683460 /nfs/dbraw/zinc/68/34/60/1052683460.db2.gz MTMAHGHNCFJBEN-LBPRGKRZSA-N 1 0 331.790 4.048 20 30 EIEDRO N#CCSCCC[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000179813675 1052757841 /nfs/dbraw/zinc/75/78/41/1052757841.db2.gz PTTXEVSDPAYHRR-LJQANCHMSA-N 1 0 328.456 4.346 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(F)c1)c1ccccc1 ZINC000180038272 1052775458 /nfs/dbraw/zinc/77/54/58/1052775458.db2.gz CPAUDSWHIFWCHJ-LJQANCHMSA-N 1 0 327.399 4.409 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1ccccc1 ZINC000180047539 1052776231 /nfs/dbraw/zinc/77/62/31/1052776231.db2.gz MBUIEJSIDPDNHV-RDJZCZTQSA-N 1 0 328.481 4.222 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623915275 1052836649 /nfs/dbraw/zinc/83/66/49/1052836649.db2.gz AWXUXIJQZIFCST-JKSUJKDBSA-N 1 0 344.480 4.103 20 30 EIEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623996884 1052848845 /nfs/dbraw/zinc/84/88/45/1052848845.db2.gz VMOWCANXDKEOEA-INIZCTEOSA-N 1 0 344.480 4.104 20 30 EIEDRO C=C(C)COc1cc(C[N@H+](C)[C@H](C)c2ccncc2)ccc1OC ZINC000183705685 1052981571 /nfs/dbraw/zinc/98/15/71/1052981571.db2.gz XORFAEZRJDSOHI-MRXNPFEDSA-N 1 0 326.440 4.238 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000775615932 1053113578 /nfs/dbraw/zinc/11/35/78/1053113578.db2.gz VOXMBFFQDRHCBH-OALUTQOASA-N 1 0 338.451 4.169 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(SC2CCCCC2)cc1C ZINC000764460566 1053116587 /nfs/dbraw/zinc/11/65/87/1053116587.db2.gz MTTGPXCZSBGTEF-UHFFFAOYSA-N 1 0 332.513 4.476 20 30 EIEDRO Cc1cc(F)ccc1C[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000850350998 1053123333 /nfs/dbraw/zinc/12/33/33/1053123333.db2.gz XBAGRGCCNBTAFR-CVEARBPZSA-N 1 0 326.415 4.146 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)OC(C)(C)C)c2)cc1 ZINC000850342846 1053125499 /nfs/dbraw/zinc/12/54/99/1053125499.db2.gz NRVLSLXKQHXWPZ-UHFFFAOYSA-N 1 0 336.435 4.305 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(NC(=O)OC(C)(C)C)nc2)CCCC1 ZINC000850389141 1053157625 /nfs/dbraw/zinc/15/76/25/1053157625.db2.gz URDROSINOJQZSZ-UHFFFAOYSA-N 1 0 331.460 4.407 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000850413977 1053189521 /nfs/dbraw/zinc/18/95/21/1053189521.db2.gz WIGIZJSGCGKKDM-RBUKOAKNSA-N 1 0 328.843 4.059 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(OCC#N)cc1 ZINC000850441749 1053216634 /nfs/dbraw/zinc/21/66/34/1053216634.db2.gz BMXUGBCHUOAEHQ-CVEARBPZSA-N 1 0 336.435 4.326 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000850483579 1053255153 /nfs/dbraw/zinc/25/51/53/1053255153.db2.gz ZOJVBPWDKMKZIM-RBSFLKMASA-N 1 0 335.879 4.177 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccco1 ZINC000850488362 1053257185 /nfs/dbraw/zinc/25/71/85/1053257185.db2.gz MJAFSTMFAYKZCT-VQIMIIECSA-N 1 0 326.440 4.164 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2c(F)cncc2F)c(O)c1 ZINC000794676983 1053259762 /nfs/dbraw/zinc/25/97/62/1053259762.db2.gz RMZVARVWEAPXHZ-JZKLSJHFSA-N 1 0 333.382 4.092 20 30 EIEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850549308 1053305629 /nfs/dbraw/zinc/30/56/29/1053305629.db2.gz FVPOAVKRPSLWBB-DLBZAZTESA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(Br)cc1O ZINC000850551229 1053306930 /nfs/dbraw/zinc/30/69/30/1053306930.db2.gz SMLFUKGPOWPSOH-LBPRGKRZSA-N 1 0 337.261 4.279 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCc2cccc3cccnc32)cc1 ZINC000764819010 1053326668 /nfs/dbraw/zinc/32/66/68/1053326668.db2.gz YTEZXARRFUSPLC-QGZVFWFLSA-N 1 0 330.431 4.140 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC001195257971 1053349497 /nfs/dbraw/zinc/34/94/97/1053349497.db2.gz LPWFVSBEFCMFSM-SFHVURJKSA-N 1 0 342.389 4.052 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)cc1 ZINC001195279965 1053357742 /nfs/dbraw/zinc/35/77/42/1053357742.db2.gz QJXAFPPQYKUVNI-RTBURBONSA-N 1 0 326.484 4.143 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)cc1C(C)(C)C ZINC000865452931 1053512137 /nfs/dbraw/zinc/51/21/37/1053512137.db2.gz ZODOPMOGXRKJAK-UHFFFAOYSA-N 1 0 338.451 4.185 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000852098242 1053550090 /nfs/dbraw/zinc/55/00/90/1053550090.db2.gz IAPPFUUTVUYNQL-MEBBXXQBSA-N 1 0 346.780 4.077 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[N@H+](CCCCC#N)C2)CC1 ZINC000852302380 1053566726 /nfs/dbraw/zinc/56/67/26/1053566726.db2.gz AGHSRVXCYXFBEA-GOSISDBHSA-N 1 0 349.519 4.039 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000865694190 1053572710 /nfs/dbraw/zinc/57/27/10/1053572710.db2.gz BCFDOPHPPYDYGD-UHFFFAOYSA-N 1 0 331.872 4.032 20 30 EIEDRO CC1(C)C[C@H]([N@H+](Cc2ccccc2)Cc2ccc(CC#N)cc2)CO1 ZINC001196083949 1053577109 /nfs/dbraw/zinc/57/71/09/1053577109.db2.gz XPTQPGAFYHQJFJ-NRFANRHFSA-N 1 0 334.463 4.322 20 30 EIEDRO C=CCC1([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CCCC1 ZINC001196149527 1053591200 /nfs/dbraw/zinc/59/12/00/1053591200.db2.gz CZNZNIHHIUPGHO-UHFFFAOYSA-N 1 0 331.847 4.411 20 30 EIEDRO C=CCC1([NH2+]Cc2nc3cc(Br)ccc3[nH]2)CCCC1 ZINC001196150399 1053591922 /nfs/dbraw/zinc/59/19/22/1053591922.db2.gz VFUZCXUUTWSSDE-UHFFFAOYSA-N 1 0 334.261 4.304 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852594841 1053595401 /nfs/dbraw/zinc/59/54/01/1053595401.db2.gz DGCMFKIMNLTCDM-QAPCUYQASA-N 1 0 348.874 4.023 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000865830191 1053601329 /nfs/dbraw/zinc/60/13/29/1053601329.db2.gz LBTNBMDWIGJZSI-SJORKVTESA-N 1 0 332.856 4.283 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001196315096 1053629438 /nfs/dbraw/zinc/62/94/38/1053629438.db2.gz ZPFVAJCBWFGCDN-AEFFLSMTSA-N 1 0 341.417 4.430 20 30 EIEDRO CCCCC[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001196328679 1053640899 /nfs/dbraw/zinc/64/08/99/1053640899.db2.gz FZXAQXCCQCXPFQ-KRWDZBQOSA-N 1 0 328.456 4.280 20 30 EIEDRO Cc1ccc(C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C(C)(C)C)cc1 ZINC001196338819 1053643923 /nfs/dbraw/zinc/64/39/23/1053643923.db2.gz NOLWTZWYRWSNKZ-UHFFFAOYSA-N 1 0 335.451 4.106 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(C#N)c1[O-] ZINC000866222065 1053655963 /nfs/dbraw/zinc/65/59/63/1053655963.db2.gz XUFQYJXRYYLFQN-QGZVFWFLSA-N 1 0 349.478 4.101 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccsc2)n1 ZINC000111219311 1053663651 /nfs/dbraw/zinc/66/36/51/1053663651.db2.gz WRTZEPNWTARSBF-UHFFFAOYSA-N 1 0 336.464 4.353 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](Cc3cccc4ccccc43)CC2)nc1 ZINC001196420344 1053669786 /nfs/dbraw/zinc/66/97/86/1053669786.db2.gz SHHJXMWWBUTJIH-UHFFFAOYSA-N 1 0 327.431 4.486 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2ccc(Cl)cn2)ccc1O ZINC000853438224 1053677054 /nfs/dbraw/zinc/67/70/54/1053677054.db2.gz SZLMXWCLMDCLGD-UHFFFAOYSA-N 1 0 346.862 4.119 20 30 EIEDRO C[C@H](CCc1cccnc1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000866303113 1053683337 /nfs/dbraw/zinc/68/33/37/1053683337.db2.gz NZZQHOYUFALZCI-OAHLLOKOSA-N 1 0 332.369 4.063 20 30 EIEDRO C[C@H](CCc1cncc2ccccc21)[NH2+]Cc1ccc(CC#N)cc1 ZINC000866382254 1053710948 /nfs/dbraw/zinc/71/09/48/1053710948.db2.gz YQIUBBZQCMFKFD-QGZVFWFLSA-N 1 0 329.447 4.412 20 30 EIEDRO COC[C@H](C)[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001196646623 1053716136 /nfs/dbraw/zinc/71/61/36/1053716136.db2.gz MUGAEUTZXRKTNC-YCRPNKLZSA-N 1 0 338.426 4.222 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2csc(C#N)c2)C1 ZINC000921535314 1053720940 /nfs/dbraw/zinc/72/09/40/1053720940.db2.gz JMBCDIJLLPXMOI-MRXNPFEDSA-N 1 0 339.508 4.141 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)C1CCC(F)(F)CC1 ZINC000866449109 1053733406 /nfs/dbraw/zinc/73/34/06/1053733406.db2.gz RKRPNPLBJHEDAM-OAHLLOKOSA-N 1 0 347.453 4.331 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccs1 ZINC000866446111 1053733629 /nfs/dbraw/zinc/73/36/29/1053733629.db2.gz OSZMSSOJVVCRSR-KRWDZBQOSA-N 1 0 325.481 4.329 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cccc(OC)c1OC ZINC000866507757 1053754602 /nfs/dbraw/zinc/75/46/02/1053754602.db2.gz HIMHZIYFOSHXHF-OALUTQOASA-N 1 0 336.435 4.304 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cccc(OC)c1OC ZINC000866507756 1053755383 /nfs/dbraw/zinc/75/53/83/1053755383.db2.gz HIMHZIYFOSHXHF-MOPGFXCFSA-N 1 0 336.435 4.304 20 30 EIEDRO Cc1sc(NC(=O)C[N@@H+](C)C[C@@H](C)C2CCCCC2)c(C#N)c1C ZINC001196819036 1053781600 /nfs/dbraw/zinc/78/16/00/1053781600.db2.gz QMOFRKPHBJIKLK-CYBMUJFWSA-N 1 0 347.528 4.323 20 30 EIEDRO COc1cc([C@@H](C)[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)ccc1SC ZINC000866618276 1053806767 /nfs/dbraw/zinc/80/67/67/1053806767.db2.gz YCWYJSYQNHNROQ-FZKQIMNGSA-N 1 0 338.476 4.107 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000776729981 1053807439 /nfs/dbraw/zinc/80/74/39/1053807439.db2.gz OGGPWEIXXQLVJC-HNNXBMFYSA-N 1 0 325.431 4.394 20 30 EIEDRO C=CCC1([NH2+]CCOc2ccc3c(C)cc(=O)oc3c2)CCCCC1 ZINC001196953005 1053813468 /nfs/dbraw/zinc/81/34/68/1053813468.db2.gz PWGXYBYRRCACSA-UHFFFAOYSA-N 1 0 341.451 4.349 20 30 EIEDRO Cc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552228548 1053839848 /nfs/dbraw/zinc/83/98/48/1053839848.db2.gz BSHRMQFTEOYFDK-QFIPXVFZSA-N 1 0 331.463 4.113 20 30 EIEDRO N#Cc1ccc(F)c(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000121803378 1053848938 /nfs/dbraw/zinc/84/89/38/1053848938.db2.gz ATMTXDCDIFNJMQ-IEBWSBKVSA-N 1 0 342.414 4.159 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c(F)c1 ZINC000121864174 1053854060 /nfs/dbraw/zinc/85/40/60/1053854060.db2.gz QVPDUFUYSXRWIX-MJGOQNOKSA-N 1 0 342.414 4.159 20 30 EIEDRO CC[C@]1(CCc2ccccc2)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC001197357773 1053881725 /nfs/dbraw/zinc/88/17/25/1053881725.db2.gz DJFJMTIHYRCDLH-LJQANCHMSA-N 1 0 325.481 4.392 20 30 EIEDRO C=CCCC[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC001197378088 1053898219 /nfs/dbraw/zinc/89/82/19/1053898219.db2.gz UTYSQUIIPQMJIY-HXUWFJFHSA-N 1 0 343.492 4.148 20 30 EIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(OCC#N)cc2)s1 ZINC000265979213 1053914661 /nfs/dbraw/zinc/91/46/61/1053914661.db2.gz DNZUAFVBKBCGEV-AWEZNQCLSA-N 1 0 329.469 4.109 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C)s2)ccc1OC ZINC000113348092 1053923284 /nfs/dbraw/zinc/92/32/84/1053923284.db2.gz ASCIIKGIZJEZPO-HNNXBMFYSA-N 1 0 330.453 4.036 20 30 EIEDRO C=CCc1cc(C[NH2+]C(C)(C)c2ccc(F)cc2)cc(OC)c1O ZINC000113335143 1053924318 /nfs/dbraw/zinc/92/43/18/1053924318.db2.gz PSTORQJCLGQHJP-UHFFFAOYSA-N 1 0 329.415 4.293 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccccc2Cl)ccc1OC ZINC000113348245 1053926010 /nfs/dbraw/zinc/92/60/10/1053926010.db2.gz XBYAWSCFGDGAFW-MRXNPFEDSA-N 1 0 344.842 4.319 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1F ZINC001197611844 1053944066 /nfs/dbraw/zinc/94/40/66/1053944066.db2.gz WNVVWXQLAUGVIU-JQWIXIFHSA-N 1 0 345.245 4.228 20 30 EIEDRO CC#CC[N@@H+]1CCC[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001197587693 1053947977 /nfs/dbraw/zinc/94/79/77/1053947977.db2.gz DDQXAZYESCCPLU-PKOBYXMFSA-N 1 0 348.531 4.195 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1cccc(C#N)c1 ZINC001197681451 1053974381 /nfs/dbraw/zinc/97/43/81/1053974381.db2.gz IUFMZYVGQQXGEN-LBPRGKRZSA-N 1 0 345.805 4.030 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1 ZINC000765755279 1053983103 /nfs/dbraw/zinc/98/31/03/1053983103.db2.gz RQOUQQARPFJWNB-GDBMZVCRSA-N 1 0 347.890 4.310 20 30 EIEDRO C#CC[N@@H+](C[C@H](Cc1ccccc1)OC)[C@@H]1CCCc2ccccc21 ZINC001198104769 1054078921 /nfs/dbraw/zinc/07/89/21/1054078921.db2.gz RPVCRJTYGZYTEC-JTHBVZDNSA-N 1 0 333.475 4.257 20 30 EIEDRO Cc1cc(C)n(-c2ccc(C[N@H+](C)Cc3cc(C#N)cs3)cc2)n1 ZINC001198195399 1054101749 /nfs/dbraw/zinc/10/17/49/1054101749.db2.gz WZCSJPIPTDUSPT-UHFFFAOYSA-N 1 0 336.464 4.054 20 30 EIEDRO Cc1ccc(Br)cc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC001198194545 1054102254 /nfs/dbraw/zinc/10/22/54/1054102254.db2.gz HLIAPOVBPHKXMJ-UHFFFAOYSA-N 1 0 335.270 4.323 20 30 EIEDRO C[C@]12C[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001198250833 1054109505 /nfs/dbraw/zinc/10/95/05/1054109505.db2.gz DQGDEDWMQCJBGU-UNQWWWNPSA-N 1 0 332.369 4.221 20 30 EIEDRO C=CCCC[N@@H+](CC)C[C@@](C)(O)c1ccc(Br)cc1F ZINC001198457594 1054149954 /nfs/dbraw/zinc/14/99/54/1054149954.db2.gz DBWDONLPHFMWBJ-MRXNPFEDSA-N 1 0 344.268 4.084 20 30 EIEDRO C#C[C@H]1CCCC[N@H+]1CCCCOc1ccccc1C(F)(F)F ZINC001198524507 1054174227 /nfs/dbraw/zinc/17/42/27/1054174227.db2.gz FRGCQGMGULPYGK-HNNXBMFYSA-N 1 0 325.374 4.352 20 30 EIEDRO C#C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001198526743 1054177239 /nfs/dbraw/zinc/17/72/39/1054177239.db2.gz UVVLXROJRWFTQE-IBGZPJMESA-N 1 0 348.446 4.295 20 30 EIEDRO C[C@@H]1CC[C@@](CO)([NH2+]CCCCC2(C#N)CCC2)c2ccccc21 ZINC001198696715 1054228138 /nfs/dbraw/zinc/22/81/38/1054228138.db2.gz VWMBUFSDWBESAH-UTKZUKDTSA-N 1 0 326.484 4.225 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000123914003 1054330158 /nfs/dbraw/zinc/33/01/58/1054330158.db2.gz YRJWQCRTZPPUOE-RBUKOAKNSA-N 1 0 326.415 4.108 20 30 EIEDRO C=C[C@H](OC(=O)C1CCN(c2cc[nH+]cc2C)CC1)c1ccccc1 ZINC000857658507 1054339631 /nfs/dbraw/zinc/33/96/31/1054339631.db2.gz IWDHWNGLLBCTCC-FQEVSTJZSA-N 1 0 336.435 4.077 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cc(F)ccc1F ZINC000123945789 1054383433 /nfs/dbraw/zinc/38/34/33/1054383433.db2.gz FRPNLWWBSGQRCO-ORAYPTAESA-N 1 0 330.378 4.497 20 30 EIEDRO CC[C@@H](CCC(F)(F)F)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000872091489 1054385793 /nfs/dbraw/zinc/38/57/93/1054385793.db2.gz IJBPLPXRFJXZQO-HNNXBMFYSA-N 1 0 339.405 4.238 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017337 1054402180 /nfs/dbraw/zinc/40/21/80/1054402180.db2.gz NPKYQVQOYRRTCM-IERDGZPVSA-N 1 0 347.462 4.435 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC001199420596 1054404214 /nfs/dbraw/zinc/40/42/14/1054404214.db2.gz OJDWBURPLBAKLS-UHFFFAOYSA-N 1 0 331.419 4.174 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)nc1)c1ccc(OCC#N)cc1 ZINC000872129857 1054404326 /nfs/dbraw/zinc/40/43/26/1054404326.db2.gz FNDNKFZRNMYBAF-CHWSQXEVSA-N 1 0 349.356 4.415 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000872139746 1054412683 /nfs/dbraw/zinc/41/26/83/1054412683.db2.gz PCIWYTCEKSADNM-JKOKRWQUSA-N 1 0 339.302 4.138 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)CC1 ZINC000872140737 1054412841 /nfs/dbraw/zinc/41/28/41/1054412841.db2.gz XBAQVLDHPPEPDQ-ZHALLVOQSA-N 1 0 341.499 4.403 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)cc1C#N ZINC000858382691 1054479448 /nfs/dbraw/zinc/47/94/48/1054479448.db2.gz KMABIYBCNYVIOA-QGZVFWFLSA-N 1 0 330.790 4.136 20 30 EIEDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000105433130 1054519865 /nfs/dbraw/zinc/51/98/65/1054519865.db2.gz QYRRBYHLZBQETJ-QGZVFWFLSA-N 1 0 338.451 4.186 20 30 EIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Br)ccc1O ZINC000282205191 1054575919 /nfs/dbraw/zinc/57/59/19/1054575919.db2.gz HAWJEASCGAQHCR-PNESKVBLSA-N 1 0 337.261 4.135 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CCCCC1 ZINC000859746396 1054722116 /nfs/dbraw/zinc/72/21/16/1054722116.db2.gz AUFZGHWYUYBSEY-UHFFFAOYSA-N 1 0 326.484 4.291 20 30 EIEDRO COc1cccc([C@H](O)C2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000860136087 1054774199 /nfs/dbraw/zinc/77/41/99/1054774199.db2.gz WLBXDNVKYHPONJ-HXUWFJFHSA-N 1 0 344.499 4.161 20 30 EIEDRO C#CCCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001201407588 1054777773 /nfs/dbraw/zinc/77/77/73/1054777773.db2.gz LKRQPOGJLOBDKP-UHFFFAOYSA-N 1 0 329.390 4.437 20 30 EIEDRO N#CCCn1cc(C(=O)C[NH+]2CCC3(CCC3)CC2)c2ccccc21 ZINC000671728263 1054805114 /nfs/dbraw/zinc/80/51/14/1054805114.db2.gz FRBHSVXPFXLDSE-UHFFFAOYSA-N 1 0 335.451 4.004 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccccc3-n3cccn3)CC2)cc1 ZINC001137101943 1054868647 /nfs/dbraw/zinc/86/86/47/1054868647.db2.gz ASODHHWRORMFBB-UHFFFAOYSA-N 1 0 342.446 4.124 20 30 EIEDRO C[NH+](C)CCc1ccc(Nc2ccc(C(F)(F)F)cc2C#N)cc1 ZINC001201698372 1054880836 /nfs/dbraw/zinc/88/08/36/1054880836.db2.gz NEKCIHBIGIZVBK-UHFFFAOYSA-N 1 0 333.357 4.425 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1Nc1c[nH+]ccc1N1CCCC1 ZINC001201691154 1054890229 /nfs/dbraw/zinc/89/02/29/1054890229.db2.gz FVUJQZJJWUKCQW-UHFFFAOYSA-N 1 0 332.329 4.316 20 30 EIEDRO CCCCCCC[N@H+]1Cc2nn(CC3CC3)cc2[C@H](COCC)C1 ZINC001201762195 1054899815 /nfs/dbraw/zinc/89/98/15/1054899815.db2.gz BDFGPECSTCQBTB-SFHVURJKSA-N 1 0 333.520 4.199 20 30 EIEDRO C=CCOCc1nn(CC2CC2)c2c1C[N@H+](CCCCCCC)CC2 ZINC001201762870 1054901315 /nfs/dbraw/zinc/90/13/15/1054901315.db2.gz YDKLPJVPNCKOKP-UHFFFAOYSA-N 1 0 345.531 4.324 20 30 EIEDRO CCCCCCCC[N@H+]1Cc2nn(CC3CC3)cc2[C@H](COC)C1 ZINC001201813951 1054911127 /nfs/dbraw/zinc/91/11/27/1054911127.db2.gz LMPZKGWHFAQICF-SFHVURJKSA-N 1 0 333.520 4.199 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001201813533 1054911190 /nfs/dbraw/zinc/91/11/90/1054911190.db2.gz FZRIQKVBQSGEBK-UHFFFAOYSA-N 1 0 348.531 4.307 20 30 EIEDRO CCCCCCC[N@@H+]1CCO[C@@H]2[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001201776865 1054917095 /nfs/dbraw/zinc/91/70/95/1054917095.db2.gz OJNQMVDOPWUIMN-NJDAHSKKSA-N 1 0 346.515 4.048 20 30 EIEDRO CCCCCCCCCC[NH+]1C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001201874889 1054940365 /nfs/dbraw/zinc/94/03/65/1054940365.db2.gz KOFLFYZEDCPSCK-RTBURBONSA-N 1 0 346.515 4.424 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000876673336 1054944310 /nfs/dbraw/zinc/94/43/10/1054944310.db2.gz WBSGBZOBCOAORC-SMDDNHRTSA-N 1 0 348.796 4.085 20 30 EIEDRO C[C@H](C#N)CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)C1CC1 ZINC000876791551 1054958085 /nfs/dbraw/zinc/95/80/85/1054958085.db2.gz MAOAIRZIWFIOGO-CQSZACIVSA-N 1 0 329.444 4.158 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccccc2OC2CCC2)cc1 ZINC000118454815 1054979709 /nfs/dbraw/zinc/97/97/09/1054979709.db2.gz QOTFLEJXDDBEHE-UHFFFAOYSA-N 1 0 335.447 4.310 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000876963645 1054988968 /nfs/dbraw/zinc/98/89/68/1054988968.db2.gz HEJMEBODZYGULW-KRWDZBQOSA-N 1 0 327.516 4.482 20 30 EIEDRO CCCCCCCOc1cccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000777220500 1054992646 /nfs/dbraw/zinc/99/26/46/1054992646.db2.gz IRBDDAOXDGJECA-LJQANCHMSA-N 1 0 342.487 4.074 20 30 EIEDRO C=CCCCCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC001202150316 1055043721 /nfs/dbraw/zinc/04/37/21/1055043721.db2.gz BZUTYYMFARMIHN-UHFFFAOYSA-N 1 0 343.515 4.439 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cnn(-c2ccccc2)c1 ZINC000777250877 1055052330 /nfs/dbraw/zinc/05/23/30/1055052330.db2.gz SXCZVUJUJYKPDX-MRXNPFEDSA-N 1 0 328.419 4.084 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(C(F)(F)F)nc1Cl ZINC000862380364 1055058529 /nfs/dbraw/zinc/05/85/29/1055058529.db2.gz UYNWFQMTLQWPRI-HBNTYKKESA-N 1 0 331.769 4.487 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000877491506 1055063018 /nfs/dbraw/zinc/06/30/18/1055063018.db2.gz KWXWSZLSIRUCOU-WMLDXEAASA-N 1 0 329.806 4.172 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000877489809 1055064563 /nfs/dbraw/zinc/06/45/63/1055064563.db2.gz SLORITYAWBXSTM-RHSMWYFYSA-N 1 0 329.806 4.172 20 30 EIEDRO CCCOc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1C ZINC000877498159 1055067026 /nfs/dbraw/zinc/06/70/26/1055067026.db2.gz MJPDQKHJGQQZDV-UHFFFAOYSA-N 1 0 349.478 4.236 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(Sc3ccccc3)CC2)cc1 ZINC001137121427 1055069619 /nfs/dbraw/zinc/06/96/19/1055069619.db2.gz KVCZSJYRNMKTKO-UHFFFAOYSA-N 1 0 338.476 4.346 20 30 EIEDRO C=CCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC001202258938 1055102290 /nfs/dbraw/zinc/10/22/90/1055102290.db2.gz LDUGAYHZNOXIGS-UHFFFAOYSA-N 1 0 329.415 4.469 20 30 EIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043089 1055103127 /nfs/dbraw/zinc/10/31/27/1055103127.db2.gz NZPYTLHGTYSPFM-WOPDTQHZSA-N 1 0 329.391 4.034 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCC(C#N)CC2)CC(C)(C)C1 ZINC000877693301 1055105971 /nfs/dbraw/zinc/10/59/71/1055105971.db2.gz FKEMPOWNWPXSST-OFLPRAFFSA-N 1 0 349.519 4.084 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000877769515 1055119126 /nfs/dbraw/zinc/11/91/26/1055119126.db2.gz JRYFMOIUDITOJN-UHFFFAOYSA-N 1 0 332.451 4.150 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000119255687 1055146092 /nfs/dbraw/zinc/14/60/92/1055146092.db2.gz YFNBSYCKNAKCCJ-QGZVFWFLSA-N 1 0 333.435 4.261 20 30 EIEDRO C=CCC1([NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)CCCCC1 ZINC001202408711 1055159996 /nfs/dbraw/zinc/15/99/96/1055159996.db2.gz RAGQBJVMJOBZLG-UHFFFAOYSA-N 1 0 348.853 4.428 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](CC(C)C)C1CCCC1)c1ccccc1 ZINC000878009681 1055173088 /nfs/dbraw/zinc/17/30/88/1055173088.db2.gz BFWYNBDPTBYVCH-OAQYLSRUSA-N 1 0 326.484 4.328 20 30 EIEDRO C=CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000878005498 1055173624 /nfs/dbraw/zinc/17/36/24/1055173624.db2.gz PSJSHZKCEMFKSA-UHFFFAOYSA-N 1 0 334.891 4.023 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](c2ccccc2C)C1)c1ccccc1 ZINC000878031156 1055178922 /nfs/dbraw/zinc/17/89/22/1055178922.db2.gz RIOFINUVPHUBST-NZQKXSOJSA-N 1 0 346.474 4.225 20 30 EIEDRO CC[C@H](Cc1ccccc1)[N@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878132357 1055192002 /nfs/dbraw/zinc/19/20/02/1055192002.db2.gz SODUMZNHWAJONE-DHIUTWEWSA-N 1 0 348.490 4.380 20 30 EIEDRO C#CCCCCC[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1 ZINC000878202286 1055205838 /nfs/dbraw/zinc/20/58/38/1055205838.db2.gz ALSNARJNRPBWKO-UHFFFAOYSA-N 1 0 346.540 4.258 20 30 EIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1ccc(Br)nc1 ZINC001252120460 1055226625 /nfs/dbraw/zinc/22/66/25/1055226625.db2.gz WRQXYKPNFJATAU-HNNXBMFYSA-N 1 0 343.309 4.045 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000878522081 1055331149 /nfs/dbraw/zinc/33/11/49/1055331149.db2.gz JXQKRUDDHBQGMN-LAUBAEHRSA-N 1 0 326.484 4.328 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC(C)=C(c2ccco2)C1)c1ccccc1 ZINC000878566803 1055345465 /nfs/dbraw/zinc/34/54/65/1055345465.db2.gz PMWVHMIXQBFMDL-JOCHJYFZSA-N 1 0 348.446 4.199 20 30 EIEDRO Cc1nc(-c2ccc(NC(=O)[C@@]3(C#N)CC4CCC3CC4)cc2)[nH]c1C ZINC000921667180 1055519736 /nfs/dbraw/zinc/51/97/36/1055519736.db2.gz DAKRBCBIFHJKNZ-AEJJIKPWSA-N 1 0 348.450 4.352 20 30 EIEDRO COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618806921 1055785623 /nfs/dbraw/zinc/78/56/23/1055785623.db2.gz SLCRKOBQBVATDD-KPZWWZAWSA-N 1 0 340.398 4.053 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC)c(F)c2)cc1 ZINC000765837503 1055823295 /nfs/dbraw/zinc/82/32/95/1055823295.db2.gz YGPSGWLZWWCQBN-OAHLLOKOSA-N 1 0 327.399 4.087 20 30 EIEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)[C@H](C)C1 ZINC000542704835 1055849062 /nfs/dbraw/zinc/84/90/62/1055849062.db2.gz KARCVODKUIRFBJ-VRVMVEOCSA-N 1 0 327.472 4.058 20 30 EIEDRO N#Cc1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000301116174 1055897078 /nfs/dbraw/zinc/89/70/78/1055897078.db2.gz YXQRLFMWXHGHQZ-UHFFFAOYSA-N 1 0 327.431 4.034 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000301205451 1055907566 /nfs/dbraw/zinc/90/75/66/1055907566.db2.gz RJOKJBKUQCOZRT-CQSZACIVSA-N 1 0 338.411 4.008 20 30 EIEDRO Cc1ccc([C@@H](CNc2cc(C#N)nc3ccccc32)[NH+]2CCCC2)o1 ZINC000301420380 1055935737 /nfs/dbraw/zinc/93/57/37/1055935737.db2.gz SBWXNKSPAFQBBE-HXUWFJFHSA-N 1 0 346.434 4.257 20 30 EIEDRO Cc1ccc([C@H](CNc2cc(C#N)nc3ccccc32)[NH+]2CCCC2)o1 ZINC000301420379 1055936294 /nfs/dbraw/zinc/93/62/94/1055936294.db2.gz SBWXNKSPAFQBBE-FQEVSTJZSA-N 1 0 346.434 4.257 20 30 EIEDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000301518498 1055944444 /nfs/dbraw/zinc/94/44/44/1055944444.db2.gz GZUVKDUBRKFZHY-CABCVRRESA-N 1 0 328.847 4.045 20 30 EIEDRO N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000301807161 1055987238 /nfs/dbraw/zinc/98/72/38/1055987238.db2.gz YFKVUVGPIWTJEX-YOEHRIQHSA-N 1 0 349.400 4.030 20 30 EIEDRO C[NH+](C)CCCC1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301865798 1055995308 /nfs/dbraw/zinc/99/53/08/1055995308.db2.gz BJHXZDMKUYDJBE-UHFFFAOYSA-N 1 0 339.405 4.135 20 30 EIEDRO C[NH+](C)CCCC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301933083 1056001622 /nfs/dbraw/zinc/00/16/22/1056001622.db2.gz PNNGURPODWLCOW-UHFFFAOYSA-N 1 0 339.405 4.135 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 ZINC000554078932 1056008402 /nfs/dbraw/zinc/00/84/02/1056008402.db2.gz OHDLIQWZASPEIG-KRWDZBQOSA-N 1 0 333.357 4.459 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000302081572 1056015737 /nfs/dbraw/zinc/01/57/37/1056015737.db2.gz CHIKYSYGHALWTE-UHFFFAOYSA-N 1 0 347.462 4.146 20 30 EIEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000108367229 1056037037 /nfs/dbraw/zinc/03/70/37/1056037037.db2.gz KFTDHQGKPNJKDU-CABCVRRESA-N 1 0 333.501 4.143 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc3ccccc3c2)cc1 ZINC000765884030 1056055881 /nfs/dbraw/zinc/05/58/81/1056055881.db2.gz VYRAQOIKPDCPQF-HXOBKFHXSA-N 1 0 345.442 4.236 20 30 EIEDRO N#Cc1ccc(OCC[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000554738529 1056154690 /nfs/dbraw/zinc/15/46/90/1056154690.db2.gz OPTNAUXHEMNTSO-FQEVSTJZSA-N 1 0 331.419 4.086 20 30 EIEDRO Cc1cc(N2CCC(CC#N)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000542863155 1056352344 /nfs/dbraw/zinc/35/23/44/1056352344.db2.gz BRJJSHBADYAFGR-UHFFFAOYSA-N 1 0 331.366 4.275 20 30 EIEDRO CCOC(=O)C1CCC([N@H+](CC)Cc2ccc(C#N)cc2Cl)CC1 ZINC000554855994 1056392832 /nfs/dbraw/zinc/39/28/32/1056392832.db2.gz XQOOUFMTJKOQSI-UHFFFAOYSA-N 1 0 348.874 4.155 20 30 EIEDRO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC000073615672 1056583904 /nfs/dbraw/zinc/58/39/04/1056583904.db2.gz GRQHJQQAKDMGPY-QGZVFWFLSA-N 1 0 349.478 4.449 20 30 EIEDRO CC(C)C[NH+]1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000111218405 1056773941 /nfs/dbraw/zinc/77/39/41/1056773941.db2.gz DBCOACHCSSMBKG-UHFFFAOYSA-N 1 0 325.378 4.109 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC(F)F ZINC000075755778 1056811313 /nfs/dbraw/zinc/81/13/13/1056811313.db2.gz IWGNYYBANLMBIN-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO CC(C)OC(=O)CC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542945619 1056829299 /nfs/dbraw/zinc/82/92/99/1056829299.db2.gz VNTXMZZXEVIWMG-MRXNPFEDSA-N 1 0 336.435 4.218 20 30 EIEDRO CC(C)OC(=O)CC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542945618 1056829676 /nfs/dbraw/zinc/82/96/76/1056829676.db2.gz VNTXMZZXEVIWMG-INIZCTEOSA-N 1 0 336.435 4.218 20 30 EIEDRO Cc1cccc(NC2CC[NH+](CCCOc3ccc(C#N)cc3)CC2)c1 ZINC000741257196 1058186126 /nfs/dbraw/zinc/18/61/26/1058186126.db2.gz TXVIFXMAEGDFSO-UHFFFAOYSA-N 1 0 349.478 4.212 20 30 EIEDRO Cc1cccc(C2(O)CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000741804641 1058382669 /nfs/dbraw/zinc/38/26/69/1058382669.db2.gz NUQZCVZZOHCACD-GOSISDBHSA-N 1 0 334.463 4.220 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc2ccccc2c1 ZINC000743492249 1059032613 /nfs/dbraw/zinc/03/26/13/1059032613.db2.gz RLESSXXXMBLCGG-JKSUJKDBSA-N 1 0 343.430 4.389 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743843325 1059171869 /nfs/dbraw/zinc/17/18/69/1059171869.db2.gz VWDVUKBZDRDRNY-HXUWFJFHSA-N 1 0 342.870 4.403 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cc(F)ccc2SC)cc1 ZINC000744448489 1059521052 /nfs/dbraw/zinc/52/10/52/1059521052.db2.gz KDAWKMYQKGJEJA-UHFFFAOYSA-N 1 0 329.440 4.240 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@H](O)c2c(F)cccc2Cl)c1 ZINC000744447456 1059525767 /nfs/dbraw/zinc/52/57/67/1059525767.db2.gz KHTGFJRAKIZYLF-YJYMSZOUSA-N 1 0 349.833 4.256 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000752264271 1060249173 /nfs/dbraw/zinc/24/91/73/1060249173.db2.gz AJBIPXIELGCFST-GOEBONIOSA-N 1 0 325.374 4.157 20 30 EIEDRO CC(=O)N1CCC[C@@H](C[NH2+]C#C[Si](C(C)C)(C(C)C)C(C)C)C1 ZINC001168779709 1060283397 /nfs/dbraw/zinc/28/33/97/1060283397.db2.gz MWKGJNPXTYDJKD-IBGZPJMESA-N 1 0 336.596 4.013 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000746413824 1060300649 /nfs/dbraw/zinc/30/06/49/1060300649.db2.gz KFCKSLXXHLDSJG-RBUKOAKNSA-N 1 0 337.552 4.110 20 30 EIEDRO CC#CC[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC001168824957 1060430383 /nfs/dbraw/zinc/43/03/83/1060430383.db2.gz FDUWBTZQMUBOIG-UHFFFAOYSA-N 1 0 328.253 4.475 20 30 EIEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001169364734 1060780515 /nfs/dbraw/zinc/78/05/15/1060780515.db2.gz FFOPBEBCXQSFDL-HHXXYDBFSA-N 1 0 327.472 4.080 20 30 EIEDRO C#CCCC[NH2+][C@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000766727529 1060829973 /nfs/dbraw/zinc/82/99/73/1060829973.db2.gz FUMGDBZVNJQJMB-HXUWFJFHSA-N 1 0 343.854 4.450 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1ccc(F)c(F)c1 ZINC001169474081 1060833792 /nfs/dbraw/zinc/83/37/92/1060833792.db2.gz QXPPSNGEEXUVAS-HXUWFJFHSA-N 1 0 344.405 4.225 20 30 EIEDRO CCCCCCCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000103251825 1060841900 /nfs/dbraw/zinc/84/19/00/1060841900.db2.gz NLDQFCFNRAIAPC-UHFFFAOYSA-N 1 0 331.504 4.492 20 30 EIEDRO N#CC1(c2ccc(N3CCCc4ccc(C[NH3+])nc43)cc2)CCCCC1 ZINC001169591519 1060863005 /nfs/dbraw/zinc/86/30/05/1060863005.db2.gz ZVICHXMKSWTVNG-UHFFFAOYSA-N 1 0 346.478 4.350 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nc(C(C)(C)C)ccc1C#N ZINC001169684132 1060898003 /nfs/dbraw/zinc/89/80/03/1060898003.db2.gz GEQCIROQNJSQBT-KRWDZBQOSA-N 1 0 334.467 4.491 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncc(Cl)c(C)c1C#N ZINC001169684767 1060898217 /nfs/dbraw/zinc/89/82/17/1060898217.db2.gz LQIUGHJQAZRTCJ-MRXNPFEDSA-N 1 0 326.831 4.155 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nc(C(C)(C)C)ccc1C#N ZINC001169684133 1060898683 /nfs/dbraw/zinc/89/86/83/1060898683.db2.gz GEQCIROQNJSQBT-QGZVFWFLSA-N 1 0 334.467 4.491 20 30 EIEDRO Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1NC12CCC(C#N)(CC1)CC2 ZINC001169746878 1060926445 /nfs/dbraw/zinc/92/64/45/1060926445.db2.gz SHONBADKRZHSHH-UHFFFAOYSA-N 1 0 340.471 4.403 20 30 EIEDRO N#CC12CCC(Nc3c[nH+]c4cc(Br)ccn34)(CC1)CC2 ZINC001169750316 1060928585 /nfs/dbraw/zinc/92/85/85/1060928585.db2.gz YCWAAQIKSIPABH-UHFFFAOYSA-N 1 0 345.244 4.125 20 30 EIEDRO C=C1CCC(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](CC)CC)CC1 ZINC001129347161 1060988002 /nfs/dbraw/zinc/98/80/02/1060988002.db2.gz WYFUIJGRECHYIX-OAQYLSRUSA-N 1 0 342.527 4.495 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC2=CC(=O)CC(C)(C)C2)nc1 ZINC001169946623 1061048150 /nfs/dbraw/zinc/04/81/50/1061048150.db2.gz IIACUBZHUBMCKX-HNNXBMFYSA-N 1 0 327.472 4.141 20 30 EIEDRO C#CCCC[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000766923575 1061061249 /nfs/dbraw/zinc/06/12/49/1061061249.db2.gz QBDQZHAYFQYVFB-UHFFFAOYSA-N 1 0 349.474 4.274 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Br)s1 ZINC000444788196 1028074109 /nfs/dbraw/zinc/07/41/09/1028074109.db2.gz ZELHBYBSLSAEHH-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cc1 ZINC000532227357 1032107240 /nfs/dbraw/zinc/10/72/40/1032107240.db2.gz DOZKGDHDPMOLQZ-KDOFPFPSSA-N 1 0 341.405 4.156 20 30 EIEDRO N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000532242537 1032119172 /nfs/dbraw/zinc/11/91/72/1032119172.db2.gz GJBGEFHMOKANTA-PKTZIBPZSA-N 1 0 345.490 4.045 20 30 EIEDRO N#Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000532242536 1032121416 /nfs/dbraw/zinc/12/14/16/1032121416.db2.gz GJBGEFHMOKANTA-GOTSBHOMSA-N 1 0 345.490 4.045 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc(C)ccc2C)cc(OC)c1OC ZINC000729683216 1032132604 /nfs/dbraw/zinc/13/26/04/1032132604.db2.gz GTOLPFQXDBUIRP-UHFFFAOYSA-N 1 0 325.452 4.339 20 30 EIEDRO [NH2+]=C(NCC1(c2c(Cl)cccc2Cl)CCC1)Nc1ccccn1 ZINC000262750446 1032209515 /nfs/dbraw/zinc/20/95/15/1032209515.db2.gz BPWICWSSCMOHRU-UHFFFAOYSA-N 1 0 349.265 4.237 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000172115959 1032277936 /nfs/dbraw/zinc/27/79/36/1032277936.db2.gz KKSWNFBCSKGRKM-QHCPKHFHSA-N 1 0 342.442 4.363 20 30 EIEDRO CC(C)C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000532933461 1032398306 /nfs/dbraw/zinc/39/83/06/1032398306.db2.gz PLTDFXBBJOMSED-UHFFFAOYSA-N 1 0 335.451 4.045 20 30 EIEDRO CC(C)(CCC#N)C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000529637256 1032495438 /nfs/dbraw/zinc/49/54/38/1032495438.db2.gz ADFPJOIYBBOYFZ-UHFFFAOYSA-N 1 0 344.503 4.312 20 30 EIEDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000475730710 1032534261 /nfs/dbraw/zinc/53/42/61/1032534261.db2.gz LPVAJWNILSLJPV-FQEVSTJZSA-N 1 0 336.479 4.177 20 30 EIEDRO COc1ccc(CNc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1C#N ZINC000533212189 1032553753 /nfs/dbraw/zinc/55/37/53/1032553753.db2.gz DFJUAEKOHMNCRZ-UHFFFAOYSA-N 1 0 349.478 4.411 20 30 EIEDRO C=CCc1cc(C[NH+]2CCC(OCCC(C)C)CC2)cc(OC)c1O ZINC000179332571 1032558828 /nfs/dbraw/zinc/55/88/28/1032558828.db2.gz BVOKOGARPKPHKK-UHFFFAOYSA-N 1 0 347.499 4.156 20 30 EIEDRO N#CC1(CN2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000450600976 1032566540 /nfs/dbraw/zinc/56/65/40/1032566540.db2.gz XOUWHHKZXOZRCL-NSHDSACASA-N 1 0 329.391 4.035 20 30 EIEDRO CC[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000533288576 1032599001 /nfs/dbraw/zinc/59/90/01/1032599001.db2.gz PKAGHEFXWAJYMV-CQSZACIVSA-N 1 0 345.512 4.092 20 30 EIEDRO CC(C)(C)C[N@H+](CCC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000533289278 1032602483 /nfs/dbraw/zinc/60/24/83/1032602483.db2.gz CIKIELUFDNISLV-UHFFFAOYSA-N 1 0 337.467 4.430 20 30 EIEDRO CC[NH+](CC)CCOc1ccccc1NCc1ccc(C#N)cc1F ZINC000533309096 1032643964 /nfs/dbraw/zinc/64/39/64/1032643964.db2.gz XLLMASVIABIXKT-UHFFFAOYSA-N 1 0 341.430 4.030 20 30 EIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCCC2)cc1 ZINC000533386230 1032720996 /nfs/dbraw/zinc/72/09/96/1032720996.db2.gz KUZTWNNNYYZLGF-NRFANRHFSA-N 1 0 333.435 4.018 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000533449012 1032762224 /nfs/dbraw/zinc/76/22/24/1032762224.db2.gz SAVWTLQZEGCUCA-UHFFFAOYSA-N 1 0 336.332 4.439 20 30 EIEDRO C=CCCC[C@H](C)[NH+]1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000429582235 1032785827 /nfs/dbraw/zinc/78/58/27/1032785827.db2.gz AJKYJJUKXIVSAQ-AWEZNQCLSA-N 1 0 336.501 4.244 20 30 EIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CC[C@@H](C#N)C3)s2)cc1 ZINC000274613230 1018833614 /nfs/dbraw/zinc/83/36/14/1018833614.db2.gz KQGOBANRDIXGQW-BJJXKVORSA-N 1 0 341.480 4.470 20 30 EIEDRO C=CCSc1ccccc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000547625784 1018849857 /nfs/dbraw/zinc/84/98/57/1018849857.db2.gz KEGUAIOLPVCORG-UHFFFAOYSA-N 1 0 346.540 4.157 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)c1F ZINC001167049846 1018868475 /nfs/dbraw/zinc/86/84/75/1018868475.db2.gz TVSGKIWCFAUYPB-UHFFFAOYSA-N 1 0 326.390 4.291 20 30 EIEDRO COc1ccc(-c2ccncc2)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000186885825 1018912212 /nfs/dbraw/zinc/91/22/12/1018912212.db2.gz WMOCKBUAKNUXBP-UHFFFAOYSA-N 1 0 343.430 4.261 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000035231389 1019024905 /nfs/dbraw/zinc/02/49/05/1019024905.db2.gz BWDZVHVALXQJBH-CQSZACIVSA-N 1 0 344.252 4.312 20 30 EIEDRO C=CCC(CC=C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510074327 1019072623 /nfs/dbraw/zinc/07/26/23/1019072623.db2.gz UWWQJXVIGUSOER-UYAOXDASSA-N 1 0 340.511 4.172 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)cc1F ZINC000126950558 1019522636 /nfs/dbraw/zinc/52/26/36/1019522636.db2.gz IDBPERRLPUJWGH-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO COc1ccccc1C[N@H+](CCCOc1cccc(C#N)c1)C1CC1 ZINC001167076473 1019533165 /nfs/dbraw/zinc/53/31/65/1019533165.db2.gz HOJHICWCNOIWTA-UHFFFAOYSA-N 1 0 336.435 4.000 20 30 EIEDRO N#Cc1cccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1F ZINC000512469369 1032848612 /nfs/dbraw/zinc/84/86/12/1032848612.db2.gz QCLWBBPXSBUVKM-HNNXBMFYSA-N 1 0 326.440 4.312 20 30 EIEDRO C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1ccc(C#N)cc1 ZINC000154344231 1019732557 /nfs/dbraw/zinc/73/25/57/1019732557.db2.gz TWQQTCDHVAKOIR-DBXLBAIQSA-N 1 0 345.446 4.042 20 30 EIEDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2CCCc2cccc(C#N)c2)cc1 ZINC001208860112 1019752611 /nfs/dbraw/zinc/75/26/11/1019752611.db2.gz IBUSPRRIUZNBGE-NRFANRHFSA-N 1 0 348.446 4.115 20 30 EIEDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)s2)cc1F ZINC000134814054 1020022314 /nfs/dbraw/zinc/02/23/14/1020022314.db2.gz MSIRGNJEVKUGOJ-LBPRGKRZSA-N 1 0 340.427 4.104 20 30 EIEDRO C=C(C)CN(C)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000180738421 1020172843 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C#CC[N@@H+](Cc1ccc(-n2ccnc2)cc1C)[C@H]1CCc2ccccc21 ZINC001167179335 1020488888 /nfs/dbraw/zinc/48/88/88/1020488888.db2.gz ZRPTTYGBJXSETK-QHCPKHFHSA-N 1 0 341.458 4.303 20 30 EIEDRO N#CC1(CCC[NH+]2CCC(c3ccc(F)cc3)CC2)CCOCC1 ZINC000375608403 1020497384 /nfs/dbraw/zinc/49/73/84/1020497384.db2.gz RJHYMVPYKBLRDY-UHFFFAOYSA-N 1 0 330.447 4.106 20 30 EIEDRO CC(C)C[N@H+](CCc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167193084 1020516469 /nfs/dbraw/zinc/51/64/69/1020516469.db2.gz SDUWCDKFDNXZKY-UHFFFAOYSA-N 1 0 337.423 4.167 20 30 EIEDRO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2OC)CC(C)C)c1 ZINC001167199112 1020534648 /nfs/dbraw/zinc/53/46/48/1020534648.db2.gz DZEPKDSUFARPMU-UHFFFAOYSA-N 1 0 338.451 4.234 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(OC)cc1 ZINC000025365305 1020557908 /nfs/dbraw/zinc/55/79/08/1020557908.db2.gz UFPVWRNSGQIWDZ-OAQYLSRUSA-N 1 0 337.467 4.286 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(F)cc1F ZINC000025363170 1020558695 /nfs/dbraw/zinc/55/86/95/1020558695.db2.gz ABZAKQHWGUOLPY-AWEZNQCLSA-N 1 0 329.394 4.165 20 30 EIEDRO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCC1CCCCC1 ZINC001167273872 1020750200 /nfs/dbraw/zinc/75/02/00/1020750200.db2.gz SCVMRFYZEICCMZ-UHFFFAOYSA-N 1 0 347.890 4.442 20 30 EIEDRO C[N@@H+]1CC[C@H](N[C@@H](CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340309760 1020750946 /nfs/dbraw/zinc/75/09/46/1020750946.db2.gz XFEPAIKEXORDEJ-FKBYEOEOSA-N 1 0 333.479 4.457 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccccc1OC(F)F ZINC000608841615 1020874566 /nfs/dbraw/zinc/87/45/66/1020874566.db2.gz OAZNFVGAFYUGBP-UHFFFAOYSA-N 1 0 348.418 4.183 20 30 EIEDRO N#Cc1cnc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)c(Cl)c1 ZINC000610279269 1020929809 /nfs/dbraw/zinc/92/98/09/1020929809.db2.gz ODUFVIIPEIYLQM-SFHVURJKSA-N 1 0 340.858 4.246 20 30 EIEDRO Cc1cc(C)c(C#N)c(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000610281354 1020965805 /nfs/dbraw/zinc/96/58/05/1020965805.db2.gz ZTIQTLYBQZQYOX-QAPCUYQASA-N 1 0 340.496 4.127 20 30 EIEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CC2(CC#N)CC2)cc1OC ZINC001167302377 1020979268 /nfs/dbraw/zinc/97/92/68/1020979268.db2.gz PBHIREDZOFLJDG-SFHVURJKSA-N 1 0 342.483 4.185 20 30 EIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000340444668 1021039851 /nfs/dbraw/zinc/03/98/51/1021039851.db2.gz IAXCKEJLEXWDAY-DYESRHJHSA-N 1 0 345.450 4.353 20 30 EIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000340445517 1021041125 /nfs/dbraw/zinc/04/11/25/1021041125.db2.gz DZARQSAYNQYYOW-UTKZUKDTSA-N 1 0 345.450 4.353 20 30 EIEDRO N#CCCC[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000340449740 1021045901 /nfs/dbraw/zinc/04/59/01/1021045901.db2.gz WPAFJIQGQTZTBB-PMPSAXMXSA-N 1 0 326.362 4.121 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1-n1cccn1 ZINC000579986519 1021083881 /nfs/dbraw/zinc/08/38/81/1021083881.db2.gz XEPKSEGISZZAGF-MRXNPFEDSA-N 1 0 335.838 4.228 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000340490956 1021128422 /nfs/dbraw/zinc/12/84/22/1021128422.db2.gz QXZFZUCVMKEFSP-QGZVFWFLSA-N 1 0 346.352 4.466 20 30 EIEDRO CC(=NNc1cccc(Cl)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748131796 1021206783 /nfs/dbraw/zinc/20/67/83/1021206783.db2.gz OFQGCCNZHDNRDL-UHFFFAOYSA-N 1 0 331.847 4.117 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000340531080 1021218874 /nfs/dbraw/zinc/21/88/74/1021218874.db2.gz RWKXLOCLXJISKI-LJQANCHMSA-N 1 0 338.476 4.164 20 30 EIEDRO C[N@@H+](Cc1csc2ccccc12)Cc1cnc2ccc(C#N)cn12 ZINC000179989466 1021236423 /nfs/dbraw/zinc/23/64/23/1021236423.db2.gz ISPMJFUOAZTFHY-UHFFFAOYSA-N 1 0 332.432 4.053 20 30 EIEDRO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000610343575 1021338085 /nfs/dbraw/zinc/33/80/85/1021338085.db2.gz LSUFASZRMYZISG-LZJOCLMNSA-N 1 0 349.478 4.255 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275725183 1021352265 /nfs/dbraw/zinc/35/22/65/1021352265.db2.gz WMHVYQIVIKEXRZ-UHFFFAOYSA-N 1 0 337.467 4.011 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610346451 1021358453 /nfs/dbraw/zinc/35/84/53/1021358453.db2.gz VATNUAQOEAWJTG-KBPBESRZSA-N 1 0 341.842 4.198 20 30 EIEDRO CC1CCN([C@H](C[NH2+]Cc2cc(C#N)cs2)c2cccs2)CC1 ZINC000177680580 1021366179 /nfs/dbraw/zinc/36/61/79/1021366179.db2.gz FIWBZEBIOVJGIP-QGZVFWFLSA-N 1 0 345.537 4.244 20 30 EIEDRO CCO[C@@H](CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C1CCCC1 ZINC000177583515 1021420356 /nfs/dbraw/zinc/42/03/56/1021420356.db2.gz CYRFOKOUBUQCJA-JXFKEZNVSA-N 1 0 330.472 4.052 20 30 EIEDRO COCC[N@H+](CCCCC(C)(C)C#N)[C@H]1CCCc2cccnc21 ZINC000376098283 1021444028 /nfs/dbraw/zinc/44/40/28/1021444028.db2.gz PRINMMUMICXJFU-SFHVURJKSA-N 1 0 329.488 4.127 20 30 EIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cc(C#N)cs1 ZINC000177690733 1021452908 /nfs/dbraw/zinc/45/29/08/1021452908.db2.gz BZEXRTGZVJFDFB-NSHDSACASA-N 1 0 335.270 4.103 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177694550 1021534753 /nfs/dbraw/zinc/53/47/53/1021534753.db2.gz SEWXRBQFILGMJU-AWEZNQCLSA-N 1 0 345.899 4.198 20 30 EIEDRO N#Cc1csc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)c1 ZINC000177701518 1021555503 /nfs/dbraw/zinc/55/55/03/1021555503.db2.gz XQEYLFJAEVTDGQ-IBGZPJMESA-N 1 0 326.465 4.194 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC2(CC[N@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000371459650 1021629309 /nfs/dbraw/zinc/62/93/09/1021629309.db2.gz VQSJZBBSUHPDTM-UHFFFAOYSA-N 1 0 349.519 4.039 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNc1ccc(C#N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000580493930 1021790256 /nfs/dbraw/zinc/79/02/56/1021790256.db2.gz UOSYQBMKADJZBY-CQSZACIVSA-N 1 0 338.411 4.008 20 30 EIEDRO C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(C#N)cc1Cl ZINC000580501953 1021791287 /nfs/dbraw/zinc/79/12/87/1021791287.db2.gz WOWDQZDWDFPTIN-SGTLLEGYSA-N 1 0 346.883 4.412 20 30 EIEDRO C=CC[NH+]1CCC(N[C@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414080123 1021816113 /nfs/dbraw/zinc/81/61/13/1021816113.db2.gz CSGUNJQQRHCPDT-OAHLLOKOSA-N 1 0 327.497 4.111 20 30 EIEDRO Cc1cc(C[N@H+](C)CCOCc2ccc(C#N)cc2)c2ccccc2n1 ZINC000580797562 1021818556 /nfs/dbraw/zinc/81/85/56/1021818556.db2.gz IYNUJEMOHYEGHI-UHFFFAOYSA-N 1 0 345.446 4.064 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC000177974066 1021835906 /nfs/dbraw/zinc/83/59/06/1021835906.db2.gz RQBNGFHVOFGSEW-SFHVURJKSA-N 1 0 334.463 4.150 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c(OC(F)F)c1 ZINC001167381138 1021864322 /nfs/dbraw/zinc/86/43/22/1021864322.db2.gz KGMHRJGDHAREHT-IBGZPJMESA-N 1 0 332.394 4.482 20 30 EIEDRO C=CC[N@@H+](CCOc1ccccc1OC)Cc1ccc(Cl)s1 ZINC000613334092 1021877127 /nfs/dbraw/zinc/87/71/27/1021877127.db2.gz JMQDSGFWSHSJGE-UHFFFAOYSA-N 1 0 337.872 4.477 20 30 EIEDRO C=CCN(Cc1nc(Cc2ccc(F)cc2)no1)CC1CCCCC1 ZINC001167386397 1021911327 /nfs/dbraw/zinc/91/13/27/1021911327.db2.gz FGYHXVIUAJPRDA-UHFFFAOYSA-N 1 0 343.446 4.368 20 30 EIEDRO N#Cc1cnc2c(Cl)cccc2c1NC1CC([NH+]2CCCCC2)C1 ZINC000582177948 1021929380 /nfs/dbraw/zinc/92/93/80/1021929380.db2.gz CPKYTFQDFNLTFB-UHFFFAOYSA-N 1 0 340.858 4.189 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613414585 1021984663 /nfs/dbraw/zinc/98/46/63/1021984663.db2.gz XFBVIKITSDEIGO-JFIYKMOQSA-N 1 0 340.515 4.092 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1 ZINC000582526237 1022011965 /nfs/dbraw/zinc/01/19/65/1022011965.db2.gz GHIPEMYOSBXPSO-RTWAWAEBSA-N 1 0 336.479 4.401 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000414167433 1022013514 /nfs/dbraw/zinc/01/35/14/1022013514.db2.gz PFPYDFWAIAMIAG-AWEZNQCLSA-N 1 0 337.261 4.192 20 30 EIEDRO C[C@@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(C#N)cc1F ZINC000471580964 1022056101 /nfs/dbraw/zinc/05/61/01/1022056101.db2.gz FPULIOSWJNKELL-CYBMUJFWSA-N 1 0 339.389 4.221 20 30 EIEDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000279952780 1033027354 /nfs/dbraw/zinc/02/73/54/1033027354.db2.gz ZQGNWZQKBDGVHV-UHFFFAOYSA-N 1 0 330.435 4.054 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H](c1ccccc1)N(C)C ZINC000471582668 1022080274 /nfs/dbraw/zinc/08/02/74/1022080274.db2.gz PTESRMPDFHPDRM-BXTJHSDWSA-N 1 0 325.431 4.039 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1F ZINC000471582666 1022080373 /nfs/dbraw/zinc/08/03/73/1022080373.db2.gz PTESRMPDFHPDRM-AUSJPIAWSA-N 1 0 325.431 4.039 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341102178 1022093065 /nfs/dbraw/zinc/09/30/65/1022093065.db2.gz QKWOAWUJUCFZGA-GOSISDBHSA-N 1 0 341.842 4.281 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000312883160 1022115836 /nfs/dbraw/zinc/11/58/36/1022115836.db2.gz ABNQLPFGECJFAL-ZDUSSCGKSA-N 1 0 329.241 4.214 20 30 EIEDRO CC[C@H]([NH2+]Cc1cccc(-c2nccn2C)c1)c1ccc(C#N)cc1 ZINC000365741233 1022195635 /nfs/dbraw/zinc/19/56/35/1022195635.db2.gz ZWIZFEKYJGQWDH-FQEVSTJZSA-N 1 0 330.435 4.200 20 30 EIEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537297207 1022276209 /nfs/dbraw/zinc/27/62/09/1022276209.db2.gz PVOKSRCQJBTVKC-QHCPKHFHSA-N 1 0 345.490 4.108 20 30 EIEDRO CC(C)[N@H+](C)CC1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000548117605 1022298309 /nfs/dbraw/zinc/29/83/09/1022298309.db2.gz VLMKLNWMVNRDKD-UHFFFAOYSA-N 1 0 339.405 4.134 20 30 EIEDRO Cc1ccc([C@@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180232317 1022329663 /nfs/dbraw/zinc/32/96/63/1022329663.db2.gz WXLKAQLCXDKRAH-KRWDZBQOSA-N 1 0 344.462 4.161 20 30 EIEDRO C=C[C@](C)(CC)C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000187875469 1022336177 /nfs/dbraw/zinc/33/61/77/1022336177.db2.gz VVTIHUXSLGEWIY-LJQANCHMSA-N 1 0 332.513 4.085 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000472583954 1022507567 /nfs/dbraw/zinc/50/75/67/1022507567.db2.gz XDBMZMFQGRLLEU-AEFFLSMTSA-N 1 0 345.874 4.194 20 30 EIEDRO C=CCCCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000471620421 1022560167 /nfs/dbraw/zinc/56/01/67/1022560167.db2.gz RTRGFWIJGWXIPX-CYBMUJFWSA-N 1 0 339.277 4.112 20 30 EIEDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000278803957 1022611523 /nfs/dbraw/zinc/61/15/23/1022611523.db2.gz RKBYUYRBORNBTF-NRFANRHFSA-N 1 0 349.478 4.329 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000893192595 1022631004 /nfs/dbraw/zinc/63/10/04/1022631004.db2.gz XVDMEOAXGMQUMQ-QGZVFWFLSA-N 1 0 327.424 4.207 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000580860823 1022632285 /nfs/dbraw/zinc/63/22/85/1022632285.db2.gz LTBANCMDRGDQGB-VUCTXSBTSA-N 1 0 336.273 4.007 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(OCC)cc2)ccc1OC ZINC000520961147 1022708264 /nfs/dbraw/zinc/70/82/64/1022708264.db2.gz ASLUGCJQNFPIMT-UHFFFAOYSA-N 1 0 341.451 4.339 20 30 EIEDRO N#CCCN(C(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000104700974 1022782878 /nfs/dbraw/zinc/78/28/78/1022782878.db2.gz RFOCYSMYOLQAST-QFIPXVFZSA-N 1 0 347.462 4.064 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCCc2cccc(Cl)c2)O1 ZINC000378448350 1022824036 /nfs/dbraw/zinc/82/40/36/1022824036.db2.gz CNKGFSADMWYDPD-MKXGPGLRSA-N 1 0 332.875 4.102 20 30 EIEDRO Cn1ccc2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c21 ZINC000188777007 1022837135 /nfs/dbraw/zinc/83/71/35/1022837135.db2.gz IXHSZLNAUVFTRO-UHFFFAOYSA-N 1 0 344.462 4.126 20 30 EIEDRO C=CCCCCCN(C)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000156825319 1022850470 /nfs/dbraw/zinc/85/04/70/1022850470.db2.gz RKMDOKYCSVOPRD-UHFFFAOYSA-N 1 0 346.540 4.054 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(F)c(C#N)c4)C3)nc2c1 ZINC000181145498 1022888730 /nfs/dbraw/zinc/88/87/30/1022888730.db2.gz WHAZQBQKLHHEQY-INIZCTEOSA-N 1 0 348.425 4.262 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CCC2)c(Br)c1 ZINC000181154269 1022893950 /nfs/dbraw/zinc/89/39/50/1022893950.db2.gz IPHKWESVZWBEQC-UHFFFAOYSA-N 1 0 341.252 4.490 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000175990449 1022904966 /nfs/dbraw/zinc/90/49/66/1022904966.db2.gz ARZUUGAKPKGGSI-ZDUSSCGKSA-N 1 0 330.378 4.281 20 30 EIEDRO C[NH+](C)[C@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000431895468 1022947091 /nfs/dbraw/zinc/94/70/91/1022947091.db2.gz CDSJLVCDLBWUSH-LJQANCHMSA-N 1 0 335.451 4.119 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659248996 1022972355 /nfs/dbraw/zinc/97/23/55/1022972355.db2.gz AQQGUUDITVKGQB-MRXNPFEDSA-N 1 0 346.883 4.151 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2nc(C)ccc2c1 ZINC000189707589 1023125155 /nfs/dbraw/zinc/12/51/55/1023125155.db2.gz WGIGOOFJHRVFDX-UHFFFAOYSA-N 1 0 345.446 4.064 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186434120 1023128593 /nfs/dbraw/zinc/12/85/93/1023128593.db2.gz IEFSPKXMDSRHGJ-KBXCAEBGSA-N 1 0 348.368 4.413 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000516269412 1023185990 /nfs/dbraw/zinc/18/59/90/1023185990.db2.gz XWUSIAKKTCWFAG-UHFFFAOYSA-N 1 0 331.872 4.270 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001167461607 1023210349 /nfs/dbraw/zinc/21/03/49/1023210349.db2.gz NLXXYMCKGRYLIZ-LJQANCHMSA-N 1 0 328.500 4.395 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364065995 1023237581 /nfs/dbraw/zinc/23/75/81/1023237581.db2.gz LRWZNPVCGPSJOO-QUCCMNQESA-N 1 0 328.500 4.102 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC000414526194 1023251100 /nfs/dbraw/zinc/25/11/00/1023251100.db2.gz KUNFCCRJPJCNRI-IBGZPJMESA-N 1 0 340.492 4.393 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364071321 1023252670 /nfs/dbraw/zinc/25/26/70/1023252670.db2.gz YLGBOHVYXVWAGM-IBGZPJMESA-N 1 0 340.511 4.103 20 30 EIEDRO CC[N@H+](CC(C)(C)CCC#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000511621018 1023285668 /nfs/dbraw/zinc/28/56/68/1023285668.db2.gz AXLZADADQGSMSN-QUCCMNQESA-N 1 0 327.516 4.474 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000417364702 1023291276 /nfs/dbraw/zinc/29/12/76/1023291276.db2.gz LOARBXMUPHWJAN-JLTOFOAXSA-N 1 0 337.442 4.492 20 30 EIEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417368971 1023293179 /nfs/dbraw/zinc/29/31/79/1023293179.db2.gz QUDFBVTYNYNLCL-IFXJQAMLSA-N 1 0 335.407 4.065 20 30 EIEDRO C=CC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000659824041 1023310346 /nfs/dbraw/zinc/31/03/46/1023310346.db2.gz YLMUCWVZAWXGNR-IBGZPJMESA-N 1 0 338.476 4.178 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1F ZINC000613618264 1023338022 /nfs/dbraw/zinc/33/80/22/1023338022.db2.gz CCIBNSAWLDUDEX-CABCVRRESA-N 1 0 326.415 4.235 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](CO)c3ccccc32)cc1Cl ZINC000376956936 1023342229 /nfs/dbraw/zinc/34/22/29/1023342229.db2.gz HYFOUEICDGZLMB-BEFAXECRSA-N 1 0 343.854 4.215 20 30 EIEDRO CC(C)N1CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000549476217 1023381198 /nfs/dbraw/zinc/38/11/98/1023381198.db2.gz CLEZBCQEPKLOLS-MSOLQXFVSA-N 1 0 335.442 4.018 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCC(CC)CC2)ccc1OC ZINC000236645854 1023397016 /nfs/dbraw/zinc/39/70/16/1023397016.db2.gz GFOZCSFAAYWJAZ-VJFUWPCTSA-N 1 0 330.472 4.435 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCSC[C@@H]2c2cccs2)cc1 ZINC000377249562 1023427685 /nfs/dbraw/zinc/42/76/85/1023427685.db2.gz KUZHAFFIZOWAEJ-WMLDXEAASA-N 1 0 344.505 4.329 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000480752462 1023472649 /nfs/dbraw/zinc/47/26/49/1023472649.db2.gz YATVRIDYTHBPSG-VGOFRKELSA-N 1 0 333.479 4.119 20 30 EIEDRO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000377394851 1023509525 /nfs/dbraw/zinc/50/95/25/1023509525.db2.gz AIGSUGRBSULDEX-VBKZILBWSA-N 1 0 340.398 4.120 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000660339458 1023510171 /nfs/dbraw/zinc/51/01/71/1023510171.db2.gz QHBRDGJOKRZTEK-FGTMMUONSA-N 1 0 347.528 4.024 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1Cl ZINC000511523013 1023512658 /nfs/dbraw/zinc/51/26/58/1023512658.db2.gz DZSGUAGTBOKJPE-UHFFFAOYSA-N 1 0 347.842 4.251 20 30 EIEDRO C=CCCn1cc(CNc2cc(O[C@@H](C)c3ccccc3)cc[nH+]2)nn1 ZINC000656780799 1023519028 /nfs/dbraw/zinc/51/90/28/1023519028.db2.gz UGZLUWWNIOOWGL-INIZCTEOSA-N 1 0 349.438 4.001 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)/C=C/c2ccccc2C#N)c1 ZINC000024926968 1023525862 /nfs/dbraw/zinc/52/58/62/1023525862.db2.gz ORALYEQKMDVOPW-OUKQBFOZSA-N 1 0 333.435 4.052 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000418143936 1023557091 /nfs/dbraw/zinc/55/70/91/1023557091.db2.gz JONJBCHBYQVOHK-QFIPXVFZSA-N 1 0 345.446 4.408 20 30 EIEDRO N#CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC1 ZINC000418144970 1023561272 /nfs/dbraw/zinc/56/12/72/1023561272.db2.gz WCPWGWYOFLASJZ-UHFFFAOYSA-N 1 0 327.409 4.107 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000418148513 1023565676 /nfs/dbraw/zinc/56/56/76/1023565676.db2.gz TXJHODCXKNQNGR-QGZVFWFLSA-N 1 0 335.432 4.442 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000542141039 1023594946 /nfs/dbraw/zinc/59/49/46/1023594946.db2.gz AWXMPVPKSHGEIB-UHFFFAOYSA-N 1 0 340.467 4.466 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415579795 1023704602 /nfs/dbraw/zinc/70/46/02/1023704602.db2.gz KQFJQBHCFQDMEW-RDJZCZTQSA-N 1 0 329.488 4.178 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000415585131 1023710985 /nfs/dbraw/zinc/71/09/85/1023710985.db2.gz UMUDAJMZLWDQGQ-AEFFLSMTSA-N 1 0 329.488 4.178 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000390603118 1023714536 /nfs/dbraw/zinc/71/45/36/1023714536.db2.gz YUGPFTAVBZTONY-OAQYLSRUSA-N 1 0 336.479 4.006 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000566692419 1023743540 /nfs/dbraw/zinc/74/35/40/1023743540.db2.gz XPGNWXMRNPFGDM-UHFFFAOYSA-N 1 0 339.483 4.202 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000728711767 1023762143 /nfs/dbraw/zinc/76/21/43/1023762143.db2.gz ITRXVRWXZKCCAO-AUUYWEPGSA-N 1 0 340.398 4.120 20 30 EIEDRO COc1cc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)ccc1C#N ZINC000500399898 1023791749 /nfs/dbraw/zinc/79/17/49/1023791749.db2.gz QJXNDACWFDKHTL-DJJJIMSYSA-N 1 0 326.827 4.245 20 30 EIEDRO COc1cc(C[NH2+][C@@]2(c3ccc(Cl)cc3)C[C@H]2C)ccc1C#N ZINC000500399900 1023792649 /nfs/dbraw/zinc/79/26/49/1023792649.db2.gz QJXNDACWFDKHTL-YJYMSZOUSA-N 1 0 326.827 4.245 20 30 EIEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000375642402 1023802045 /nfs/dbraw/zinc/80/20/45/1023802045.db2.gz REJJJEKDXJOHFH-QFBILLFUSA-N 1 0 331.419 4.022 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)c1 ZINC000510486477 1023847012 /nfs/dbraw/zinc/84/70/12/1023847012.db2.gz ADBNUKLSFVFXPK-RQOWECAXSA-N 1 0 336.410 4.254 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(Nc3nc(C)cs3)CC2)cc1 ZINC000473075336 1023882727 /nfs/dbraw/zinc/88/27/27/1023882727.db2.gz MWWUQHKKQFYHRM-UHFFFAOYSA-N 1 0 343.496 4.093 20 30 EIEDRO C#Cc1ccc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)nc1 ZINC000728806932 1023904330 /nfs/dbraw/zinc/90/43/30/1023904330.db2.gz SETKLCNSCHQTEX-UHFFFAOYSA-N 1 0 347.462 4.080 20 30 EIEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000510514218 1023976428 /nfs/dbraw/zinc/97/64/28/1023976428.db2.gz LRAJZYNYCULVBL-MRXNPFEDSA-N 1 0 347.462 4.351 20 30 EIEDRO N#CCC1(C[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000430733688 1023988672 /nfs/dbraw/zinc/98/86/72/1023988672.db2.gz JJBISNVWVBFFLO-GOSISDBHSA-N 1 0 325.843 4.302 20 30 EIEDRO N#CCC1(C[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000430739327 1023997165 /nfs/dbraw/zinc/99/71/65/1023997165.db2.gz HWVYQMDYKBQVLF-ZDUSSCGKSA-N 1 0 325.275 4.245 20 30 EIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000430745256 1024004790 /nfs/dbraw/zinc/00/47/90/1024004790.db2.gz WLAVAVILNKKOEO-NVXWUHKLSA-N 1 0 346.446 4.118 20 30 EIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000430751574 1024008873 /nfs/dbraw/zinc/00/88/73/1024008873.db2.gz XIWCKAQSVVRWON-VXGBXAGGSA-N 1 0 327.255 4.433 20 30 EIEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000341662326 1024242891 /nfs/dbraw/zinc/24/28/91/1024242891.db2.gz UJPQUGKAKBFCOQ-INIZCTEOSA-N 1 0 326.440 4.286 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(COc2ccc(F)cc2)no1 ZINC000661120048 1024244837 /nfs/dbraw/zinc/24/48/37/1024244837.db2.gz ZFXPJTUTHQMCPA-RHSMWYFYSA-N 1 0 345.418 4.012 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000661118146 1024245777 /nfs/dbraw/zinc/24/57/77/1024245777.db2.gz WZJGDHGQVCUVQB-OCCSQVGLSA-N 1 0 343.496 4.110 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000661116696 1024248554 /nfs/dbraw/zinc/24/85/54/1024248554.db2.gz ZGHLSJMQLFZIQO-KBPBESRZSA-N 1 0 331.485 4.238 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(Br)c(F)c1)c1ccc(C#N)cc1 ZINC000091437044 1024268465 /nfs/dbraw/zinc/26/84/65/1024268465.db2.gz URNXVTPVPDNXQT-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1 ZINC000341699166 1024349506 /nfs/dbraw/zinc/34/95/06/1024349506.db2.gz QZULDEUFIVPASX-ZHRRBRCNSA-N 1 0 342.446 4.472 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510740662 1024382791 /nfs/dbraw/zinc/38/27/91/1024382791.db2.gz VVGCLPQNMJNTDL-JOCHJYFZSA-N 1 0 338.470 4.464 20 30 EIEDRO C=CC[N@@H+](Cc1csc(-c2ccc(O)c(OC)c2)n1)C(C)(C)C ZINC000661760333 1024476809 /nfs/dbraw/zinc/47/68/09/1024476809.db2.gz RHUQQCAPEGUGDI-UHFFFAOYSA-N 1 0 332.469 4.311 20 30 EIEDRO C=CCN(CC(=O)N(Cc1ccccc1)C(C)C)Cc1cccs1 ZINC000510856213 1024646255 /nfs/dbraw/zinc/64/62/55/1024646255.db2.gz FXYGEUTZBCGBJC-UHFFFAOYSA-N 1 0 342.508 4.173 20 30 EIEDRO C=C(C)CN(CC)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000124046917 1024698290 /nfs/dbraw/zinc/69/82/90/1024698290.db2.gz OTPOJSRXCYBZHC-UHFFFAOYSA-N 1 0 336.479 4.357 20 30 EIEDRO CCN(Cc1cccc(OCc2ccccc2C#N)c1)C[C@H](C)C#N ZINC000091983989 1024707392 /nfs/dbraw/zinc/70/73/92/1024707392.db2.gz DTIUUIKWIJTKAB-QGZVFWFLSA-N 1 0 333.435 4.119 20 30 EIEDRO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000610728641 1024772422 /nfs/dbraw/zinc/77/24/22/1024772422.db2.gz FAGMBFRABWCNNU-RXVVDRJESA-N 1 0 338.426 4.297 20 30 EIEDRO N#CC1(F)CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000510905259 1024774476 /nfs/dbraw/zinc/77/44/76/1024774476.db2.gz OLAUDZPOVWFAJJ-IWQZZHSRSA-N 1 0 337.236 4.180 20 30 EIEDRO CC(C)[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000610788828 1024856597 /nfs/dbraw/zinc/85/65/97/1024856597.db2.gz UIQFEUARDWXUQB-JOCHJYFZSA-N 1 0 347.462 4.142 20 30 EIEDRO CC[C@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000330250110 1024880192 /nfs/dbraw/zinc/88/01/92/1024880192.db2.gz HAEZIRWIIVBPBQ-STQMWFEESA-N 1 0 331.485 4.207 20 30 EIEDRO C=CC[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000188306562 1024934936 /nfs/dbraw/zinc/93/49/36/1024934936.db2.gz TWUHJJQEVWIHED-ICSRJNTNSA-N 1 0 328.500 4.117 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-c3ccc(C)o3)s2)CC1 ZINC000180942971 1024970687 /nfs/dbraw/zinc/97/06/87/1024970687.db2.gz VKNYUVLMQJUPLY-UHFFFAOYSA-N 1 0 344.480 4.087 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)c(F)c1 ZINC000158061799 1024982274 /nfs/dbraw/zinc/98/22/74/1024982274.db2.gz ANTSZDNLWSDJOR-UHFFFAOYSA-N 1 0 325.774 4.189 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1Cl ZINC000610813424 1025028375 /nfs/dbraw/zinc/02/83/75/1025028375.db2.gz GUMRFTKNCYRBKS-MRXNPFEDSA-N 1 0 326.271 4.022 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000610829644 1025051308 /nfs/dbraw/zinc/05/13/08/1025051308.db2.gz CGOHYWQGKUHGFP-UONOGXRCSA-N 1 0 333.435 4.200 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1cccc(C#N)c1 ZINC000610830125 1025052614 /nfs/dbraw/zinc/05/26/14/1025052614.db2.gz FVCYRMCAJDIJMM-FIKGOQFSSA-N 1 0 325.500 4.252 20 30 EIEDRO CC1CCC([N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]2CCCO2)CC1 ZINC000215663004 1025204630 /nfs/dbraw/zinc/20/46/30/1025204630.db2.gz KGHXMJSIKRIJEX-PPSBMQLTSA-N 1 0 330.447 4.257 20 30 EIEDRO C=CC[C@@]1(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)CCC[NH2+]1 ZINC000662521695 1025226503 /nfs/dbraw/zinc/22/65/03/1025226503.db2.gz NUIZAEWPGIQPND-VGSWGCGISA-N 1 0 349.478 4.497 20 30 EIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998935 1025254167 /nfs/dbraw/zinc/25/41/67/1025254167.db2.gz VXWTUECUSDAQRE-GCJKJVERSA-N 1 0 344.462 4.464 20 30 EIEDRO C=CCCC[NH+]1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001167803689 1025254679 /nfs/dbraw/zinc/25/46/79/1025254679.db2.gz DGYBXTXAUFNZBN-UHFFFAOYSA-N 1 0 345.487 4.033 20 30 EIEDRO C=CC[C@@]1(C(=O)Nc2ccc(NC3CCCCC3)cc2)CCC[NH2+]1 ZINC000662704985 1025314507 /nfs/dbraw/zinc/31/45/07/1025314507.db2.gz KORZDEXGSJEOKQ-FQEVSTJZSA-N 1 0 327.472 4.068 20 30 EIEDRO CC(C)(C#N)CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000548527651 1025368277 /nfs/dbraw/zinc/36/82/77/1025368277.db2.gz UESGYAMXHBTXPJ-SFHVURJKSA-N 1 0 349.469 4.410 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H](c2cccs2)N(C)C)c(O)c1 ZINC000005227967 1025382293 /nfs/dbraw/zinc/38/22/93/1025382293.db2.gz FJQGLHRBCSUCMQ-UOBPLZBXSA-N 1 0 345.512 4.022 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000510997099 1025391269 /nfs/dbraw/zinc/39/12/69/1025391269.db2.gz LPNSIZUZAZHYOK-JYPHPWERSA-N 1 0 345.462 4.151 20 30 EIEDRO N#CCC[C@H](NCc1nccn1Cc1ccccc1)c1ccccc1 ZINC000342226244 1025507725 /nfs/dbraw/zinc/50/77/25/1025507725.db2.gz PWMIJHAWMXRQIX-FQEVSTJZSA-N 1 0 330.435 4.066 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC)c2cccc(Cl)c2)CC1 ZINC000519282544 1025699820 /nfs/dbraw/zinc/69/98/20/1025699820.db2.gz CEOICKIUCWUZLD-SFHVURJKSA-N 1 0 349.906 4.131 20 30 EIEDRO Clc1cccc(C#CC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000440305976 1025811777 /nfs/dbraw/zinc/81/17/77/1025811777.db2.gz UKJBZGWYUDINKV-UHFFFAOYSA-N 1 0 349.865 4.447 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000512077704 1025891435 /nfs/dbraw/zinc/89/14/35/1025891435.db2.gz QBCIJQASUJQFAM-UHFFFAOYSA-N 1 0 335.451 4.351 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(F)c(C#N)c1 ZINC000119734859 1026011663 /nfs/dbraw/zinc/01/16/63/1026011663.db2.gz DFHDPDZCZOOTDE-UHFFFAOYSA-N 1 0 349.409 4.417 20 30 EIEDRO Cc1ccccc1C1CC([N@H+](C[C@H](O)c2cccc(C#N)c2)C2CC2)C1 ZINC001167543450 1026025598 /nfs/dbraw/zinc/02/55/98/1026025598.db2.gz CLEFRNREGBRTKX-IRSIHTCSSA-N 1 0 346.474 4.311 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971561 1026089473 /nfs/dbraw/zinc/08/94/73/1026089473.db2.gz YNTVUSALWAILRE-OHSMVPPVSA-N 1 0 340.511 4.307 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(-n2cccn2)c(F)c1 ZINC000551239620 1026106448 /nfs/dbraw/zinc/10/64/48/1026106448.db2.gz XIRKJJVSWDAJAG-JLTOFOAXSA-N 1 0 346.409 4.221 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000472155683 1026107446 /nfs/dbraw/zinc/10/74/46/1026107446.db2.gz JCUCIPUYHMYGLM-PXNSSMCTSA-N 1 0 342.446 4.321 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCC1 ZINC000119795736 1026124305 /nfs/dbraw/zinc/12/43/05/1026124305.db2.gz UVVMJLDHDBKJRC-UHFFFAOYSA-N 1 0 345.512 4.090 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc2ccccc2c1 ZINC000023330055 1026204687 /nfs/dbraw/zinc/20/46/87/1026204687.db2.gz YSIOOTKDSGMBBZ-UHFFFAOYSA-N 1 0 349.459 4.234 20 30 EIEDRO COc1cccc(COc2cccc(Cl)c2C[NH2+]CCCC#N)c1 ZINC000344357311 1026273490 /nfs/dbraw/zinc/27/34/90/1026273490.db2.gz NPVYJRBSENKDMI-UHFFFAOYSA-N 1 0 344.842 4.321 20 30 EIEDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000511090419 1026308496 /nfs/dbraw/zinc/30/84/96/1026308496.db2.gz IYIPJMWNMNRSHB-UHFFFAOYSA-N 1 0 337.423 4.070 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2)C1 ZINC000894696234 1026347201 /nfs/dbraw/zinc/34/72/01/1026347201.db2.gz WHVLXDOWDJCSTC-HZMBPMFUSA-N 1 0 327.653 4.274 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000344410817 1026384615 /nfs/dbraw/zinc/38/46/15/1026384615.db2.gz PIEPPAKZZSJIDO-UHFFFAOYSA-N 1 0 327.403 4.433 20 30 EIEDRO COc1ccc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)cc1OCCCC#N ZINC000344436325 1026392515 /nfs/dbraw/zinc/39/25/15/1026392515.db2.gz NCPVCBLZAXEOAV-HOTGVXAUSA-N 1 0 330.472 4.292 20 30 EIEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000512198487 1026418564 /nfs/dbraw/zinc/41/85/64/1026418564.db2.gz SYDIRWPCKZZTJS-AVRDEDQJSA-N 1 0 345.490 4.284 20 30 EIEDRO C[C@H]1CSC[C@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000512198998 1026418852 /nfs/dbraw/zinc/41/88/52/1026418852.db2.gz BZHJMDCCXQLXBS-FXAWDEMLSA-N 1 0 336.504 4.227 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC001167561997 1026424223 /nfs/dbraw/zinc/42/42/23/1026424223.db2.gz DGQPEDJXKVKXNT-MSOLQXFVSA-N 1 0 336.520 4.195 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000506900935 1026498993 /nfs/dbraw/zinc/49/89/93/1026498993.db2.gz WQYRMWPKYHFBAX-UHFFFAOYSA-N 1 0 347.503 4.224 20 30 EIEDRO COCC[C@H]([NH2+]CCCSCC#N)c1ccc(Cl)c(Cl)c1 ZINC000284728818 1026505466 /nfs/dbraw/zinc/50/54/66/1026505466.db2.gz KEBIHCYMCBJLKA-HNNXBMFYSA-N 1 0 347.311 4.307 20 30 EIEDRO C[C@@H](c1ccccc1Cl)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000506926040 1026528046 /nfs/dbraw/zinc/52/80/46/1026528046.db2.gz CHXKIFDSRYEKOY-INIZCTEOSA-N 1 0 333.907 4.349 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000478242126 1026529531 /nfs/dbraw/zinc/52/95/31/1026529531.db2.gz XVJLBERWSQNURT-OAHLLOKOSA-N 1 0 346.261 4.234 20 30 EIEDRO CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1(C)C ZINC000236851293 1026570095 /nfs/dbraw/zinc/57/00/95/1026570095.db2.gz IDJMTGNNPKURCC-KFKAGJAMSA-N 1 0 330.472 4.051 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000427004846 1026674670 /nfs/dbraw/zinc/67/46/70/1026674670.db2.gz LWIOIOYABFWIQJ-FUHIMQAGSA-N 1 0 330.903 4.029 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2CC(C)C)cc1OCCCC#N ZINC000507169535 1026681594 /nfs/dbraw/zinc/68/15/94/1026681594.db2.gz WHMMRIAFVLEDKA-GOSISDBHSA-N 1 0 330.472 4.388 20 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DGBOSAXXIZYVRM-UHFFFAOYSA-N 1 0 340.858 4.205 20 30 EIEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000342637886 1026775851 /nfs/dbraw/zinc/77/58/51/1026775851.db2.gz RHBCWPXGOUZPHG-NQIIRXRSSA-N 1 0 336.479 4.031 20 30 EIEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000342637885 1026776391 /nfs/dbraw/zinc/77/63/91/1026776391.db2.gz RHBCWPXGOUZPHG-GHTZIAJQSA-N 1 0 336.479 4.031 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000418671416 1026789373 /nfs/dbraw/zinc/78/93/73/1026789373.db2.gz LNFGXUWADLAJFT-FQEVSTJZSA-N 1 0 343.515 4.245 20 30 EIEDRO C=CCC1(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000418673435 1026791861 /nfs/dbraw/zinc/79/18/61/1026791861.db2.gz NPJUTYAYBCUHAX-SFHVURJKSA-N 1 0 329.488 4.045 20 30 EIEDRO C[C@H](CN1CCC[C@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630333 1026858567 /nfs/dbraw/zinc/85/85/67/1026858567.db2.gz PAWYSKYDHZMDAA-LAXGTINGSA-N 1 0 339.527 4.101 20 30 EIEDRO C[C@@H](CN1CCC[C@H](C)C1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507630332 1026859216 /nfs/dbraw/zinc/85/92/16/1026859216.db2.gz PAWYSKYDHZMDAA-CDNGDFIJSA-N 1 0 339.527 4.101 20 30 EIEDRO CCc1cnc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000507633588 1026859463 /nfs/dbraw/zinc/85/94/63/1026859463.db2.gz CKZXVECPXFGNEI-UHFFFAOYSA-N 1 0 339.508 4.242 20 30 EIEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCCC[C@H]1C ZINC000507636270 1026860686 /nfs/dbraw/zinc/86/06/86/1026860686.db2.gz MTOBMZGFXFNKPA-RVEPMOMFSA-N 1 0 339.527 4.243 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000152965061 1026872882 /nfs/dbraw/zinc/87/28/82/1026872882.db2.gz IZANRHMNWIHETP-LBPRGKRZSA-N 1 0 343.334 4.202 20 30 EIEDRO CCOc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1OCC(C)C ZINC000507697275 1026878071 /nfs/dbraw/zinc/87/80/71/1026878071.db2.gz HYFMRMKOPKZGQH-UHFFFAOYSA-N 1 0 330.472 4.246 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151384855 1026887522 /nfs/dbraw/zinc/88/75/22/1026887522.db2.gz ZLSPMNJBJZGXON-CYBMUJFWSA-N 1 0 334.448 4.236 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000684958997 1026896189 /nfs/dbraw/zinc/89/61/89/1026896189.db2.gz CNDOUXLIKCXZJL-KRWDZBQOSA-N 1 0 330.353 4.119 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000519761069 1026990249 /nfs/dbraw/zinc/99/02/49/1026990249.db2.gz DOOKZIXUFDYAAM-ATLSCFEFSA-N 1 0 346.446 4.116 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)Cc2cccs2)ccc1OC ZINC000060946935 1026991372 /nfs/dbraw/zinc/99/13/72/1026991372.db2.gz MJIFOCYQEDGXKZ-HNNXBMFYSA-N 1 0 331.481 4.432 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(C)cc2SC)cc1 ZINC000237432260 1027023293 /nfs/dbraw/zinc/02/32/93/1027023293.db2.gz HASCUNNKNFLZMF-UHFFFAOYSA-N 1 0 325.477 4.409 20 30 EIEDRO N#CCSCCC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000074981875 1027031447 /nfs/dbraw/zinc/03/14/47/1027031447.db2.gz XRSRTAMZFBYPTP-CYBMUJFWSA-N 1 0 326.868 4.133 20 30 EIEDRO C=CCCC1(C[NH2+]Cc2csc(N(C(C)=O)C3CC3)n2)CCCC1 ZINC000657567940 1027093827 /nfs/dbraw/zinc/09/38/27/1027093827.db2.gz ZSVDBCBUCHFUAE-UHFFFAOYSA-N 1 0 347.528 4.275 20 30 EIEDRO C=C(C[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000474611164 1027306437 /nfs/dbraw/zinc/30/64/37/1027306437.db2.gz AUOFFIBVMXQQAB-DLBZAZTESA-N 1 0 325.452 4.499 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)c1 ZINC000520213383 1027325441 /nfs/dbraw/zinc/32/54/41/1027325441.db2.gz AICDZVAPRUTNMK-WIYYLYMNSA-N 1 0 336.479 4.177 20 30 EIEDRO C[NH+](C)[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)c1ccsc1 ZINC000520243535 1027336054 /nfs/dbraw/zinc/33/60/54/1027336054.db2.gz QYBUHQFOUKAZQU-OAHLLOKOSA-N 1 0 339.386 4.353 20 30 EIEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000441251839 1027386617 /nfs/dbraw/zinc/38/66/17/1027386617.db2.gz DJFKTYNRAWMVKK-VXKWHMMOSA-N 1 0 348.490 4.434 20 30 EIEDRO C[C@H]1C[C@@H](N(C)c2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000523087232 1027485575 /nfs/dbraw/zinc/48/55/75/1027485575.db2.gz VGCVKMKDDZZDDM-WMZOPIPTSA-N 1 0 337.442 4.187 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428355359 1027494593 /nfs/dbraw/zinc/49/45/93/1027494593.db2.gz OZZLCOHOAIFNQY-KZULUSFZSA-N 1 0 332.806 4.217 20 30 EIEDRO COc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1OCC(C)C ZINC000441376658 1027499811 /nfs/dbraw/zinc/49/98/11/1027499811.db2.gz FEZNKNOKRJNJMG-UHFFFAOYSA-N 1 0 330.472 4.150 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000102676841 1027517680 /nfs/dbraw/zinc/51/76/80/1027517680.db2.gz VJPDBRYUIHCNIF-HNNXBMFYSA-N 1 0 326.465 4.254 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000329186731 1027633857 /nfs/dbraw/zinc/63/38/57/1027633857.db2.gz PWJGIGSRLAQJLO-NSISKUIASA-N 1 0 339.483 4.183 20 30 EIEDRO CC(=O)N[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccs1 ZINC000329197912 1027640067 /nfs/dbraw/zinc/64/00/67/1027640067.db2.gz WKPUFCOMKLJOJN-GDBMZVCRSA-N 1 0 349.500 4.129 20 30 EIEDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(OCCCC#N)c1 ZINC000179327621 1027664116 /nfs/dbraw/zinc/66/41/16/1027664116.db2.gz DLLPQSZGUIDKAN-UHFFFAOYSA-N 1 0 338.451 4.400 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161825211 1027722911 /nfs/dbraw/zinc/72/29/11/1027722911.db2.gz HWCNWDANABUNRD-UHFFFAOYSA-N 1 0 348.446 4.001 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000280800581 1027738090 /nfs/dbraw/zinc/73/80/90/1027738090.db2.gz KPGKZSXVWKAYJA-MMPTUQATSA-N 1 0 329.271 4.207 20 30 EIEDRO COc1ccc(C[C@H]2CC[N@@H+]2Cc2cc(Cl)cc(C#N)c2)cc1 ZINC001167641847 1027757152 /nfs/dbraw/zinc/75/71/52/1027757152.db2.gz MPOFEBFEFTYPGH-GOSISDBHSA-N 1 0 326.827 4.037 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000108880634 1027781522 /nfs/dbraw/zinc/78/15/22/1027781522.db2.gz UZCQZXJGEQOLFE-GOSISDBHSA-N 1 0 336.435 4.025 20 30 EIEDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193077009 1027788094 /nfs/dbraw/zinc/78/80/94/1027788094.db2.gz QHURZEGOHSRXLR-DENIHFKCSA-N 1 0 348.490 4.122 20 30 EIEDRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328691825 1027794615 /nfs/dbraw/zinc/79/46/15/1027794615.db2.gz IYLWODPHPRKYES-WFASDCNBSA-N 1 0 347.484 4.016 20 30 EIEDRO N#C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@@]12c1ccccc1NC2=O ZINC000328684219 1027795307 /nfs/dbraw/zinc/79/53/07/1027795307.db2.gz PONXAOYSMQMWKZ-CNDZOEFASA-N 1 0 343.430 4.059 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)C1 ZINC000328737783 1027801871 /nfs/dbraw/zinc/80/18/71/1027801871.db2.gz HEEHIUBYMIXZKW-CDHAZOANSA-N 1 0 343.858 4.429 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000162271743 1027844217 /nfs/dbraw/zinc/84/42/17/1027844217.db2.gz LWQQYHQQLCEYEI-GOSISDBHSA-N 1 0 349.478 4.096 20 30 EIEDRO COc1cc(C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)ccc1C#N ZINC000573143936 1027863887 /nfs/dbraw/zinc/86/38/87/1027863887.db2.gz HRUBUKOFOLIHEG-IBGZPJMESA-N 1 0 330.378 4.332 20 30 EIEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000909605986 1027882156 /nfs/dbraw/zinc/88/21/56/1027882156.db2.gz RUDZVYUSMIHVMN-IBGZPJMESA-N 1 0 335.451 4.083 20 30 EIEDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000330941250 1027900963 /nfs/dbraw/zinc/90/09/63/1027900963.db2.gz CSHVDHSVECCAGP-UHFFFAOYSA-N 1 0 344.286 4.001 20 30 EIEDRO CCSc1ccccc1CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000896831490 1027907266 /nfs/dbraw/zinc/90/72/66/1027907266.db2.gz HDLUGZHJUUBQGB-INIZCTEOSA-N 1 0 332.513 4.030 20 30 EIEDRO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCCC[C@@H]1C ZINC000444683084 1027964912 /nfs/dbraw/zinc/96/49/12/1027964912.db2.gz WULBGIWDVUWDOQ-LRDDRELGSA-N 1 0 333.501 4.076 20 30 EIEDRO N#CC(CC[NH2+][C@H]1CCO[C@@H]1C1CC1)(c1ccccc1)c1ccccc1 ZINC000444691558 1027972781 /nfs/dbraw/zinc/97/27/81/1027972781.db2.gz AAVVDHJBBVHWBD-FCHUYYIVSA-N 1 0 346.474 4.043 20 30 EIEDRO C=CC[C@@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)c1ccccc1 ZINC000188563753 1027981548 /nfs/dbraw/zinc/98/15/48/1027981548.db2.gz WZGUQYHQMHRNAZ-OAQYLSRUSA-N 1 0 336.479 4.114 20 30 EIEDRO C=CC[C@@H]1[N@@H+](CCC(=O)Nc2sccc2C#N)CCCC1(C)C ZINC000444774595 1028059466 /nfs/dbraw/zinc/05/94/66/1028059466.db2.gz JRJSDTDYVGRSSJ-HNNXBMFYSA-N 1 0 331.485 4.015 20 30 EIEDRO Cc1cccc(N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)c1 ZINC000487388543 1028097265 /nfs/dbraw/zinc/09/72/65/1028097265.db2.gz ASRHJBIOLAPSNP-UHFFFAOYSA-N 1 0 333.479 4.118 20 30 EIEDRO C=CCCCCCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000583151714 1028100003 /nfs/dbraw/zinc/10/00/03/1028100003.db2.gz JAMDGSCDSMJVAA-UHFFFAOYSA-N 1 0 343.515 4.039 20 30 EIEDRO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000150786594 1028105805 /nfs/dbraw/zinc/10/58/05/1028105805.db2.gz XSXBZYXPXQHHQK-WIYYLYMNSA-N 1 0 340.511 4.266 20 30 EIEDRO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[C@@]23CCOC3)CCCC1)c1ccccc1 ZINC000329751226 1028113656 /nfs/dbraw/zinc/11/36/56/1028113656.db2.gz VNWNBYIDGOUOBF-XKGZKEIXSA-N 1 0 342.483 4.033 20 30 EIEDRO C[C@@H]1C[C@H](NC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)C[N@@H+]1C1CC1 ZINC000329865639 1028142995 /nfs/dbraw/zinc/14/29/95/1028142995.db2.gz UIIYBCAUBCHTPH-LMPOIIKSSA-N 1 0 349.519 4.130 20 30 EIEDRO CSc1nc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)ccc1C#N ZINC001141948084 1028151994 /nfs/dbraw/zinc/15/19/94/1028151994.db2.gz MKWUDJUYWWPRTA-GOSISDBHSA-N 1 0 341.455 4.021 20 30 EIEDRO C[C@H](C(=O)Nc1csc(-c2ccncc2)n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000329922574 1028155861 /nfs/dbraw/zinc/15/58/61/1028155861.db2.gz IBNSCVYCJOQFOU-JHJVBQTASA-N 1 0 330.457 4.054 20 30 EIEDRO C=CCOc1ccc(CNCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000523522932 1028192923 /nfs/dbraw/zinc/19/29/23/1028192923.db2.gz IZJOVMPEYPNDHZ-SFHVURJKSA-N 1 0 338.495 4.470 20 30 EIEDRO C=CCOc1ccc(CNCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000523522931 1028193325 /nfs/dbraw/zinc/19/33/25/1028193325.db2.gz IZJOVMPEYPNDHZ-GOSISDBHSA-N 1 0 338.495 4.470 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C2CC2)cc1 ZINC000237273943 1028194469 /nfs/dbraw/zinc/19/44/69/1028194469.db2.gz PXCGCZULPJFUJE-VFNWGFHPSA-N 1 0 336.435 4.227 20 30 EIEDRO COc1cc(C[NH2+]C(C)(C)c2cccc(Cl)c2F)ccc1C#N ZINC000440607416 1028202774 /nfs/dbraw/zinc/20/27/74/1028202774.db2.gz ATTQFMQGKCWDGP-UHFFFAOYSA-N 1 0 332.806 4.384 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c(C(F)(F)F)c1 ZINC000443971647 1028216626 /nfs/dbraw/zinc/21/66/26/1028216626.db2.gz VBZCPUKAEGPWOI-UHFFFAOYSA-N 1 0 334.341 4.184 20 30 EIEDRO C=C(Br)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC001167659875 1028261178 /nfs/dbraw/zinc/26/11/78/1028261178.db2.gz WFXYACSQYNHXAU-IRXDYDNUSA-N 1 0 338.289 4.263 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000280892168 1028273000 /nfs/dbraw/zinc/27/30/00/1028273000.db2.gz QFDGNDXNYWPRBD-GYSYKLTISA-N 1 0 330.291 4.142 20 30 EIEDRO C=C(C)[C@@H](CC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2)OCC ZINC000535966506 1028283911 /nfs/dbraw/zinc/28/39/11/1028283911.db2.gz DWIGJOULWVHQBY-HXUWFJFHSA-N 1 0 344.499 4.358 20 30 EIEDRO C=CCN(Cc1nc2c(s1)C[N@H+](C(C)C)CC2)Cc1ccccc1 ZINC000346170777 1028303421 /nfs/dbraw/zinc/30/34/21/1028303421.db2.gz JXIZKMNSRXNGED-UHFFFAOYSA-N 1 0 341.524 4.098 20 30 EIEDRO CC[NH+]1CCN(c2ccc(N[C@@H](C#N)C3CCCCC3)c(C)c2)CC1 ZINC000523740213 1028346777 /nfs/dbraw/zinc/34/67/77/1028346777.db2.gz AFTDKMWIIWHWFL-NRFANRHFSA-N 1 0 340.515 4.021 20 30 EIEDRO COc1ccc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)cc1OCCCC#N ZINC000346321781 1028373356 /nfs/dbraw/zinc/37/33/56/1028373356.db2.gz DVPYGSPXUZOGMM-MRXNPFEDSA-N 1 0 330.472 4.246 20 30 EIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc2c(c1)CCCC2 ZINC000281217548 1028442807 /nfs/dbraw/zinc/44/28/07/1028442807.db2.gz DPHJFBQUIIUSLN-KRWDZBQOSA-N 1 0 326.484 4.317 20 30 EIEDRO CCCc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161695470 1028678333 /nfs/dbraw/zinc/67/83/33/1028678333.db2.gz LLLGZDHOQYGKIU-KRWDZBQOSA-N 1 0 348.494 4.225 20 30 EIEDRO COc1cc(CNc2cccc(C[NH+]3CCCCC3)c2)ccc1C#N ZINC000440797263 1028712108 /nfs/dbraw/zinc/71/21/08/1028712108.db2.gz DQJZMRNPPUKINS-UHFFFAOYSA-N 1 0 335.451 4.165 20 30 EIEDRO [NH2+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)Nc1cc(F)ccc1F ZINC000262299997 1028718831 /nfs/dbraw/zinc/71/88/31/1028718831.db2.gz PWRGGCDZLYZHFB-ZJUUUORDSA-N 1 0 335.320 4.060 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCSc3c(F)cccc32)ccc1C#N ZINC000281575976 1028797301 /nfs/dbraw/zinc/79/73/01/1028797301.db2.gz CXHKUCLQFYFLPQ-INIZCTEOSA-N 1 0 328.412 4.033 20 30 EIEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1CCC(C#N)CC1 ZINC000281600852 1028801352 /nfs/dbraw/zinc/80/13/52/1028801352.db2.gz FWBVPZOBHWSTSP-UHFFFAOYSA-N 1 0 340.446 4.048 20 30 EIEDRO CC[C@H](c1ccccc1)[N@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC000444078787 1028839317 /nfs/dbraw/zinc/83/93/17/1028839317.db2.gz PJCVCSNZPQFURT-HXUWFJFHSA-N 1 0 335.451 4.360 20 30 EIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Br)s1 ZINC000281798924 1028868434 /nfs/dbraw/zinc/86/84/34/1028868434.db2.gz VCSBKIRFLROQTN-UNXYVOJBSA-N 1 0 327.291 4.491 20 30 EIEDRO C=C(C)CCC(=O)N(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001125682556 1028894240 /nfs/dbraw/zinc/89/42/40/1028894240.db2.gz OVVUDEDUPVSEDI-HXUWFJFHSA-N 1 0 328.500 4.246 20 30 EIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(OC(F)F)cc1 ZINC000281886384 1028930726 /nfs/dbraw/zinc/93/07/26/1028930726.db2.gz DLOPOEKNBDQLMO-AWEZNQCLSA-N 1 0 338.398 4.039 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc1 ZINC000347215460 1028943433 /nfs/dbraw/zinc/94/34/33/1028943433.db2.gz XQMUGIUZKMXVFG-UHFFFAOYSA-N 1 0 347.462 4.070 20 30 EIEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000444120870 1028965010 /nfs/dbraw/zinc/96/50/10/1028965010.db2.gz XQGXOSWPBWCFQH-OAQYLSRUSA-N 1 0 335.451 4.216 20 30 EIEDRO C[C@@H]1SCC[N@H+](CCOc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000522837410 1028988115 /nfs/dbraw/zinc/98/81/15/1028988115.db2.gz YQJPLBBJSGMYIR-OXJNMPFZSA-N 1 0 338.476 4.116 20 30 EIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H]2CCSC2)cc1 ZINC000448108156 1029057766 /nfs/dbraw/zinc/05/77/66/1029057766.db2.gz OMRIAZHTZUTERX-SFHVURJKSA-N 1 0 339.508 4.306 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1(C#N)CCCCC1 ZINC000163410573 1029072476 /nfs/dbraw/zinc/07/24/76/1029072476.db2.gz BPLNAMRNBMRNDL-UHFFFAOYSA-N 1 0 325.456 4.003 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C[NH2+]CC(C)(C)CCC#N)CCC[C@@H]12 ZINC000896913882 1029111726 /nfs/dbraw/zinc/11/17/26/1029111726.db2.gz WPJLYQRTXMRSJD-OXQOHEQNSA-N 1 0 349.519 4.086 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cccc2cccnc21 ZINC000340462534 1029141653 /nfs/dbraw/zinc/14/16/53/1029141653.db2.gz ZQHZUXWDQZTVJU-UHFFFAOYSA-N 1 0 333.460 4.129 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2OC)cc1OC ZINC000103172191 1029166962 /nfs/dbraw/zinc/16/69/62/1029166962.db2.gz YAIFUFZOCXNKIC-UHFFFAOYSA-N 1 0 341.451 4.294 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)C2CCC2)cc1 ZINC000897078462 1029349908 /nfs/dbraw/zinc/34/99/08/1029349908.db2.gz AHUNREONCNIGQG-SFHVURJKSA-N 1 0 341.842 4.246 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000583918038 1029366750 /nfs/dbraw/zinc/36/67/50/1029366750.db2.gz UNTGDOSSHQICDR-FPOVZHCZSA-N 1 0 347.462 4.203 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000179007273 1029376738 /nfs/dbraw/zinc/37/67/38/1029376738.db2.gz RPTGQKUULMCKDA-UHFFFAOYSA-N 1 0 326.827 4.255 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)ccc1OC ZINC000475288006 1029502357 /nfs/dbraw/zinc/50/23/57/1029502357.db2.gz QHJDFKPSCQRLTC-DZGCQCFKSA-N 1 0 343.389 4.423 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(Br)n1)c1cccc(C#N)c1 ZINC000925185635 1029535817 /nfs/dbraw/zinc/53/58/17/1029535817.db2.gz NOBAKMYFIZFEHU-VXGBXAGGSA-N 1 0 330.229 4.128 20 30 EIEDRO COc1cccc([C@@H](C)[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000079413851 1029559442 /nfs/dbraw/zinc/55/94/42/1029559442.db2.gz XCDKQTVCGLMESN-MRXNPFEDSA-N 1 0 336.435 4.171 20 30 EIEDRO COCC[N@H+](Cc1cc2ccccc2s1)Cc1ccc(C#N)cc1 ZINC000508572885 1029575349 /nfs/dbraw/zinc/57/53/49/1029575349.db2.gz XZYCFCSKUAVJFW-UHFFFAOYSA-N 1 0 336.460 4.422 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000278951786 1029594775 /nfs/dbraw/zinc/59/47/75/1029594775.db2.gz YUXGFTHOEAKLJP-UYAOXDASSA-N 1 0 327.516 4.207 20 30 EIEDRO C[N@@H+](CC#Cc1ccc(F)cc1)CCCc1cc(-c2ccccc2)no1 ZINC000446844118 1029608406 /nfs/dbraw/zinc/60/84/06/1029608406.db2.gz RPGLTOMUGZTION-UHFFFAOYSA-N 1 0 348.421 4.397 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(C#N)cc1 ZINC000278652028 1029647858 /nfs/dbraw/zinc/64/78/58/1029647858.db2.gz ICQOMYCJAIWQBL-NTDBCUBYSA-N 1 0 326.465 4.098 20 30 EIEDRO N#Cc1cccc(OCCC[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000121710159 1029661954 /nfs/dbraw/zinc/66/19/54/1029661954.db2.gz MUSLPPXZRXYVBU-JOCHJYFZSA-N 1 0 343.430 4.101 20 30 EIEDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000447076038 1029688164 /nfs/dbraw/zinc/68/81/64/1029688164.db2.gz GDTRLOBKDCLXBI-HXUWFJFHSA-N 1 0 330.472 4.150 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@@H]1CCCOC1 ZINC000193052293 1029696852 /nfs/dbraw/zinc/69/68/52/1029696852.db2.gz VVBZFMILVAVHKJ-FQEVSTJZSA-N 1 0 348.490 4.245 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(C#N)cc1 ZINC000278742461 1029781237 /nfs/dbraw/zinc/78/12/37/1029781237.db2.gz NLBNFZMIONRBRM-QZTJIDSGSA-N 1 0 330.497 4.044 20 30 EIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)CC(C)C ZINC000450748395 1029952714 /nfs/dbraw/zinc/95/27/14/1029952714.db2.gz WTBMUMGBJVWOBC-MRXNPFEDSA-N 1 0 336.549 4.019 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[NH2+][C@H]3CCC[C@H]3c3ccccc3)o2)c1 ZINC000525837827 1030057488 /nfs/dbraw/zinc/05/74/88/1030057488.db2.gz ZEIDZVVRXGNXCU-OALUTQOASA-N 1 0 344.418 4.034 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447533476 1030136707 /nfs/dbraw/zinc/13/67/07/1030136707.db2.gz XRDQJASMJJOFIE-LJQANCHMSA-N 1 0 338.407 4.327 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)C1 ZINC000447536786 1030141634 /nfs/dbraw/zinc/14/16/34/1030141634.db2.gz PYLVPEYQNQMERW-HOCLYGCPSA-N 1 0 325.387 4.185 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447562813 1030170970 /nfs/dbraw/zinc/17/09/70/1030170970.db2.gz NHLJFSXSZINJLM-PMACEKPBSA-N 1 0 337.467 4.338 20 30 EIEDRO CC[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000447586302 1030188994 /nfs/dbraw/zinc/18/89/94/1030188994.db2.gz MCYHHQBLPOHEAS-CTWPCTMYSA-N 1 0 342.483 4.499 20 30 EIEDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447586120 1030189330 /nfs/dbraw/zinc/18/93/30/1030189330.db2.gz LPYKTNXYIFOJDA-WTNAPCKOSA-N 1 0 333.479 4.262 20 30 EIEDRO CC[C@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(C#N)cc1 ZINC000447601504 1030223465 /nfs/dbraw/zinc/22/34/65/1030223465.db2.gz PMHDEOGHRMHPKR-KRWDZBQOSA-N 1 0 330.378 4.443 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2nccn2CCCc2ccccc2)CC1 ZINC000451138154 1030267165 /nfs/dbraw/zinc/26/71/65/1030267165.db2.gz AIYXKLRKONTMOF-UHFFFAOYSA-N 1 0 336.483 4.078 20 30 EIEDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000447845697 1030358392 /nfs/dbraw/zinc/35/83/92/1030358392.db2.gz UDXGKXVMSDYEFQ-UTKZUKDTSA-N 1 0 334.463 4.351 20 30 EIEDRO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC1 ZINC000187895741 1030375934 /nfs/dbraw/zinc/37/59/34/1030375934.db2.gz GXTSLOGGNGYBHX-UYAOXDASSA-N 1 0 340.511 4.244 20 30 EIEDRO Cc1ccc2[nH+]ccc(N3CCC(Oc4ccc(C#N)cc4)CC3)c2c1 ZINC000530428574 1030394105 /nfs/dbraw/zinc/39/41/05/1030394105.db2.gz YXZUFVKRZCJAPT-UHFFFAOYSA-N 1 0 343.430 4.463 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451306303 1030394157 /nfs/dbraw/zinc/39/41/57/1030394157.db2.gz MMLACMTYMUDHGY-OAHLLOKOSA-N 1 0 328.378 4.048 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(F)cc1 ZINC000527100517 1030482623 /nfs/dbraw/zinc/48/26/23/1030482623.db2.gz FAMLAAOLGWZVQY-YCMKEVRSSA-N 1 0 339.414 4.133 20 30 EIEDRO Cc1ccsc1[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527100410 1030482642 /nfs/dbraw/zinc/48/26/42/1030482642.db2.gz DNIJRWRSDVVMEI-OOHWJJMZSA-N 1 0 341.480 4.364 20 30 EIEDRO N#CC1(CCC[N@@H+]2CCCC[C@@H]2Cc2ccccc2)CCOCC1 ZINC000282031366 1030516977 /nfs/dbraw/zinc/51/69/77/1030516977.db2.gz QBDBUIZRRXGFEK-HXUWFJFHSA-N 1 0 326.484 4.184 20 30 EIEDRO CC(C)(CO)[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000685578242 1030531991 /nfs/dbraw/zinc/53/19/91/1030531991.db2.gz LGAFLDCBZWPOKS-LJQANCHMSA-N 1 0 327.855 4.041 20 30 EIEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451547621 1030566493 /nfs/dbraw/zinc/56/64/93/1030566493.db2.gz LFZGOKGGAQBVMS-LJQANCHMSA-N 1 0 335.407 4.040 20 30 EIEDRO C=C(C)C[N@@H+](CC)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000024959718 1030584115 /nfs/dbraw/zinc/58/41/15/1030584115.db2.gz MEYVHGGVTQYAGP-FQEVSTJZSA-N 1 0 342.508 4.160 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000657929144 1030617031 /nfs/dbraw/zinc/61/70/31/1030617031.db2.gz CPSTULGZGOZJHZ-DSKINZAPSA-N 1 0 327.516 4.332 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000191440249 1030625122 /nfs/dbraw/zinc/62/51/22/1030625122.db2.gz JPNJPASWMVAMBL-KRWDZBQOSA-N 1 0 343.515 4.392 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000191505177 1030627975 /nfs/dbraw/zinc/62/79/75/1030627975.db2.gz DQCIEEHPCTWWJN-SFHVURJKSA-N 1 0 341.499 4.241 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000451672621 1030637162 /nfs/dbraw/zinc/63/71/62/1030637162.db2.gz INUXQIHUCIQKJR-MOPGFXCFSA-N 1 0 344.499 4.195 20 30 EIEDRO CC1(C)CCCC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000527349481 1030642071 /nfs/dbraw/zinc/64/20/71/1030642071.db2.gz CIRXREZJBNSLJU-ABHNRTSZSA-N 1 0 327.472 4.202 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1 ZINC000451696644 1030652755 /nfs/dbraw/zinc/65/27/55/1030652755.db2.gz POTOGSAUDFDRQJ-CEMLEFRQSA-N 1 0 346.474 4.208 20 30 EIEDRO C=C(C)[C@H]([NH2+][C@H](COC)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000657983344 1030743551 /nfs/dbraw/zinc/74/35/51/1030743551.db2.gz SMHYQLJXIPACTA-LPHOPBHVSA-N 1 0 339.426 4.003 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)cc1OC ZINC000448376052 1030764891 /nfs/dbraw/zinc/76/48/91/1030764891.db2.gz OWFBEIQNQXCMFJ-LJQANCHMSA-N 1 0 339.410 4.032 20 30 EIEDRO C=CCC[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000530928716 1030813932 /nfs/dbraw/zinc/81/39/32/1030813932.db2.gz ZZBYRWADESSMGR-UHFFFAOYSA-N 1 0 331.481 4.386 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452004156 1030819050 /nfs/dbraw/zinc/81/90/50/1030819050.db2.gz HHVXECMDOKMFGX-GJZGRUSLSA-N 1 0 345.512 4.282 20 30 EIEDRO COc1cc(C[NH2+]CC2CCC(C#N)CC2)cc(C(F)(F)F)c1 ZINC000527701815 1030819455 /nfs/dbraw/zinc/81/94/55/1030819455.db2.gz ANQKSZKKRRLQGH-UHFFFAOYSA-N 1 0 326.362 4.134 20 30 EIEDRO CCS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000176983732 1030829509 /nfs/dbraw/zinc/82/95/09/1030829509.db2.gz IYEDGXMAIMWOAS-MJGOQNOKSA-N 1 0 331.529 4.190 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(F)c(Cl)c3)CCOCC2)cc1 ZINC000527812372 1030856990 /nfs/dbraw/zinc/85/69/90/1030856990.db2.gz SDRPMXVRMJRBRP-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO CN(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528012282 1031038793 /nfs/dbraw/zinc/03/87/93/1031038793.db2.gz SNYYRYCZYLRRRU-MRRJBJDNSA-N 1 0 340.298 4.268 20 30 EIEDRO COCC[N@H+](Cc1c(C)oc2ccccc21)Cc1ccc(C#N)cc1 ZINC000351596953 1031043257 /nfs/dbraw/zinc/04/32/57/1031043257.db2.gz HFDQFLXBQDKJMX-UHFFFAOYSA-N 1 0 334.419 4.262 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000052753732 1031058350 /nfs/dbraw/zinc/05/83/50/1031058350.db2.gz OLUCGKVXTAHLPW-SFHVURJKSA-N 1 0 332.447 4.226 20 30 EIEDRO CCC(CC)[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000179790097 1031285794 /nfs/dbraw/zinc/28/57/94/1031285794.db2.gz NZFGSBCGMVFASE-SFHVURJKSA-N 1 0 341.480 4.325 20 30 EIEDRO COc1ccc(C[C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000545241698 1031362757 /nfs/dbraw/zinc/36/27/57/1031362757.db2.gz XBAKUGWVEBRQFN-HNNXBMFYSA-N 1 0 347.380 4.286 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000926651954 1031366618 /nfs/dbraw/zinc/36/66/18/1031366618.db2.gz QMLFVZMNQLEFLE-AWEZNQCLSA-N 1 0 327.403 4.431 20 30 EIEDRO C[C@@H](CN1CCO[C@H](c2cccc(C#N)c2)C1)c1cc(F)cc(F)c1 ZINC000449039439 1031376296 /nfs/dbraw/zinc/37/62/96/1031376296.db2.gz CEHAVMZCZDDQLD-XOBRGWDASA-N 1 0 342.389 4.013 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065866409 1031385171 /nfs/dbraw/zinc/38/51/71/1031385171.db2.gz GWBCECQTESQGGC-UHFFFAOYSA-N 1 0 348.490 4.113 20 30 EIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000364718474 1031394399 /nfs/dbraw/zinc/39/43/99/1031394399.db2.gz ORVNEKMLZZLLIZ-WMZOPIPTSA-N 1 0 341.480 4.367 20 30 EIEDRO Cc1ccc([C@@H](C[NH2+]C2CCC(C)(C#N)CC2)N2CCCC2)cc1 ZINC000449109471 1031446514 /nfs/dbraw/zinc/44/65/14/1031446514.db2.gz YONAGBYEKDUVNZ-NYLDSWQDSA-N 1 0 325.500 4.194 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000449301531 1031607776 /nfs/dbraw/zinc/60/77/76/1031607776.db2.gz RTWLQRNHFWTSCP-UHFFFAOYSA-N 1 0 340.389 4.232 20 30 EIEDRO CC[NH+](CC)CCCN[C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000375982233 1031646175 /nfs/dbraw/zinc/64/61/75/1031646175.db2.gz WRKUVMCEQAALGO-HNNXBMFYSA-N 1 0 342.512 4.064 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@H]2CSc3ccccc32)cc(OC)c1O ZINC000449364668 1031658361 /nfs/dbraw/zinc/65/83/61/1031658361.db2.gz OBGYISSVCGGPAW-INIZCTEOSA-N 1 0 341.476 4.108 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]CC[C@H]3CCc4ccccc43)CC2)cc1 ZINC000449376299 1031671051 /nfs/dbraw/zinc/67/10/51/1031671051.db2.gz LGPHXYSWCMFYSW-HXUWFJFHSA-N 1 0 345.490 4.237 20 30 EIEDRO CC(C)c1ccc(CCC[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000236709194 1031680983 /nfs/dbraw/zinc/68/09/83/1031680983.db2.gz XZTCXFUCMUWEOL-UHFFFAOYSA-N 1 0 332.451 4.052 20 30 EIEDRO COc1ccc2c(c1)[C@H]([N@H+](CCCC#N)Cc1ccccc1)CCO2 ZINC000127641528 1031701634 /nfs/dbraw/zinc/70/16/34/1031701634.db2.gz SXVUHXGOBYOIQY-HXUWFJFHSA-N 1 0 336.435 4.325 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)c1 ZINC000449437444 1031758423 /nfs/dbraw/zinc/75/84/23/1031758423.db2.gz LCRFKIPOLVGXOI-UHFFFAOYSA-N 1 0 349.356 4.073 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]CC3CCCCCC3)CC2)cc1 ZINC000449484181 1031793610 /nfs/dbraw/zinc/79/36/10/1031793610.db2.gz FTZFOQIAOHMFBF-UHFFFAOYSA-N 1 0 325.500 4.083 20 30 EIEDRO C=CC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000449485374 1031794666 /nfs/dbraw/zinc/79/46/66/1031794666.db2.gz MHXSFXVVJYWALK-GFCCVEGCSA-N 1 0 328.378 4.224 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000453284689 1031805678 /nfs/dbraw/zinc/80/56/78/1031805678.db2.gz BLAROERPOHAFSB-YLQAJVPDSA-N 1 0 333.273 4.498 20 30 EIEDRO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000528743619 1031821275 /nfs/dbraw/zinc/82/12/75/1031821275.db2.gz HANWVKPAVLXPMR-LJQANCHMSA-N 1 0 344.474 4.494 20 30 EIEDRO COc1cccc(C[C@@H]2CCCCC[N@@H+]2Cc2nc(C#N)cs2)c1 ZINC000528752649 1031829190 /nfs/dbraw/zinc/82/91/90/1031829190.db2.gz YOUREXNNEHRASJ-KRWDZBQOSA-N 1 0 341.480 4.011 20 30 EIEDRO COC[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000453311357 1031835082 /nfs/dbraw/zinc/83/50/82/1031835082.db2.gz CCCQYRLBVJBYEE-KSSFIOAISA-N 1 0 328.843 4.292 20 30 EIEDRO COCC[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000449554269 1031840671 /nfs/dbraw/zinc/84/06/71/1031840671.db2.gz NYMZCQZYIKODFB-INIZCTEOSA-N 1 0 338.329 4.037 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000393782693 1031842736 /nfs/dbraw/zinc/84/27/36/1031842736.db2.gz QTBLQOZSRCIZKY-ZDUSSCGKSA-N 1 0 342.277 4.301 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000453350922 1031879635 /nfs/dbraw/zinc/87/96/35/1031879635.db2.gz KAKVDXFGXMNIIV-GXTWGEPZSA-N 1 0 333.419 4.319 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000453362608 1031901051 /nfs/dbraw/zinc/90/10/51/1031901051.db2.gz BKRGWUOARVDJCL-GOSISDBHSA-N 1 0 339.370 4.118 20 30 EIEDRO C[C@H](Cc1ccccc1)[NH+]1CCC(Nc2cccc(CC#N)c2)CC1 ZINC000449705287 1031945463 /nfs/dbraw/zinc/94/54/63/1031945463.db2.gz XPHCMFBTLIYKOP-GOSISDBHSA-N 1 0 333.479 4.260 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)cc1 ZINC000449715314 1031949914 /nfs/dbraw/zinc/94/99/14/1031949914.db2.gz IWATUSVUOJCXOT-UHFFFAOYSA-N 1 0 337.463 4.133 20 30 EIEDRO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCCOC1 ZINC000532016944 1031981126 /nfs/dbraw/zinc/98/11/26/1031981126.db2.gz FRDDIYNWJNXQBU-CYBMUJFWSA-N 1 0 342.252 4.003 20 30 EIEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000449761879 1031981443 /nfs/dbraw/zinc/98/14/43/1031981443.db2.gz BTQZOCQMPBQBCB-HZPDHXFCSA-N 1 0 326.362 4.014 20 30 EIEDRO Cc1cc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)ccc1C#N ZINC000453624951 1032037551 /nfs/dbraw/zinc/03/75/51/1032037551.db2.gz YKVKYTLKTLFMIP-OAQYLSRUSA-N 1 0 334.463 4.250 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1 ZINC000136431967 1032054710 /nfs/dbraw/zinc/05/47/10/1032054710.db2.gz CWZSDWYOQCUTGK-YPAWHYETSA-N 1 0 332.447 4.045 20 30 EIEDRO C=C(C)C[N@@H+](CCc1cccc(F)c1F)Cc1cnn(C(C)C)c1 ZINC000512561861 1033370697 /nfs/dbraw/zinc/37/06/97/1033370697.db2.gz MWMQQYUTAKORFA-UHFFFAOYSA-N 1 0 333.426 4.363 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000429845257 1033397646 /nfs/dbraw/zinc/39/76/46/1033397646.db2.gz MTXYZLCAEUCHKC-QGZVFWFLSA-N 1 0 328.500 4.280 20 30 EIEDRO Cc1ccccc1-c1nn(-c2ccccc2)cc1CN(C)C[C@H](C)C#N ZINC000509767729 1033400650 /nfs/dbraw/zinc/40/06/50/1033400650.db2.gz WCTSFDJXOZOBQP-QGZVFWFLSA-N 1 0 344.462 4.439 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)Cc1cccs1 ZINC000432944046 1033451004 /nfs/dbraw/zinc/45/10/04/1033451004.db2.gz PXKUARKOVUMSBT-UHFFFAOYSA-N 1 0 332.444 4.212 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512613560 1033496760 /nfs/dbraw/zinc/49/67/60/1033496760.db2.gz SIXMWOHCAGRIFC-NQCMUKECSA-N 1 0 330.378 4.263 20 30 EIEDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CCO2 ZINC000614160756 1033533460 /nfs/dbraw/zinc/53/34/60/1033533460.db2.gz CWVZIGWAIPTXNN-ORAYPTAESA-N 1 0 340.398 4.270 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(C#N)cc1F ZINC000512622863 1033545260 /nfs/dbraw/zinc/54/52/60/1033545260.db2.gz CKJIKTGGMZPGOE-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO C[C@H]([NH2+]CCCCOc1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000512632163 1033555000 /nfs/dbraw/zinc/55/50/00/1033555000.db2.gz XREBWNQONCRSSE-AWEZNQCLSA-N 1 0 330.378 4.346 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614174148 1033564627 /nfs/dbraw/zinc/56/46/27/1033564627.db2.gz IPANCAOAUXIAPR-OPYAIIAOSA-N 1 0 339.527 4.325 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000614174053 1033567620 /nfs/dbraw/zinc/56/76/20/1033567620.db2.gz GLNXOTMEXYLMAP-QFIPXVFZSA-N 1 0 348.490 4.360 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(C#N)cc1F ZINC000512654514 1033625963 /nfs/dbraw/zinc/62/59/63/1033625963.db2.gz MUQFYVZRUNBWAL-CQSZACIVSA-N 1 0 348.425 4.162 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(-n2cccn2)c1 ZINC000512661366 1033652408 /nfs/dbraw/zinc/65/24/08/1033652408.db2.gz RODMIASVKRZSGF-CABCVRRESA-N 1 0 334.398 4.295 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1F ZINC000512666291 1033660534 /nfs/dbraw/zinc/66/05/34/1033660534.db2.gz JSGRGQYUCICRMK-IUDNXUCKSA-N 1 0 346.446 4.248 20 30 EIEDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000433026702 1033675098 /nfs/dbraw/zinc/67/50/98/1033675098.db2.gz QONPRDMYWXAJRR-KRWDZBQOSA-N 1 0 334.467 4.228 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000433022233 1033680196 /nfs/dbraw/zinc/68/01/96/1033680196.db2.gz UHHYEOXIZFOIDW-WOJBJXKFSA-N 1 0 342.870 4.268 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614236021 1033870776 /nfs/dbraw/zinc/87/07/76/1033870776.db2.gz WKOMKQBFUTXQNU-MJGOQNOKSA-N 1 0 344.462 4.381 20 30 EIEDRO C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCCC#N ZINC000178769568 1033953809 /nfs/dbraw/zinc/95/38/09/1033953809.db2.gz QSRDPHSXWRPHGY-IAGOWNOFSA-N 1 0 337.508 4.228 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCC(C)(C)CC2)ccc1OC ZINC000237018984 1033992406 /nfs/dbraw/zinc/99/24/06/1033992406.db2.gz XJCNTALZMDXGPX-KRWDZBQOSA-N 1 0 330.472 4.435 20 30 EIEDRO C=C(CC)C[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000419270091 1034004736 /nfs/dbraw/zinc/00/47/36/1034004736.db2.gz CSXYKVRGGYYNGF-HXUWFJFHSA-N 1 0 338.451 4.239 20 30 EIEDRO CSC1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000433194321 1034021139 /nfs/dbraw/zinc/02/11/39/1034021139.db2.gz VZLVVINNEKVZTO-UHFFFAOYSA-N 1 0 338.476 4.122 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](COC(F)F)C2)cc1 ZINC000512845232 1034064973 /nfs/dbraw/zinc/06/49/73/1034064973.db2.gz RXIPGCMHUGLWSJ-MRXNPFEDSA-N 1 0 342.389 4.286 20 30 EIEDRO OCC1([C@@H]([NH2+]CC#Cc2ccccc2Cl)c2ccccc2)CCC1 ZINC000433289819 1034181155 /nfs/dbraw/zinc/18/11/55/1034181155.db2.gz RCILPEDUYJQYDP-FQEVSTJZSA-N 1 0 339.866 4.185 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)C#N ZINC000433301247 1034194796 /nfs/dbraw/zinc/19/47/96/1034194796.db2.gz GVLHPWWDAMMIQF-UHFFFAOYSA-N 1 0 335.451 4.164 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(CSC)cc2)cc(OC)c1O ZINC000512972544 1034264555 /nfs/dbraw/zinc/26/45/55/1034264555.db2.gz UBSZLAJXIKEQNS-UHFFFAOYSA-N 1 0 343.492 4.282 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000513059014 1034381967 /nfs/dbraw/zinc/38/19/67/1034381967.db2.gz VBIINWGHYOABGF-DUXKGJEZSA-N 1 0 338.426 4.138 20 30 EIEDRO CC(C)(CC#N)CN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000419350036 1034396716 /nfs/dbraw/zinc/39/67/16/1034396716.db2.gz NKAMRJWZEHGGBX-GOSISDBHSA-N 1 0 339.414 4.035 20 30 EIEDRO Cc1cc(C#N)ccc1CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000614402893 1034551300 /nfs/dbraw/zinc/55/13/00/1034551300.db2.gz OQDOODODMCEYAV-QFIPXVFZSA-N 1 0 327.431 4.273 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000614405682 1034554285 /nfs/dbraw/zinc/55/42/85/1034554285.db2.gz BNZBHOPVBZXSFE-RTWAWAEBSA-N 1 0 338.426 4.358 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C ZINC000614407349 1034559443 /nfs/dbraw/zinc/55/94/43/1034559443.db2.gz NFUPJCFCKOKHLM-KUHUBIRLSA-N 1 0 328.843 4.386 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)Cc2ccccc2C)cc1OC ZINC000513131302 1034615488 /nfs/dbraw/zinc/61/54/88/1034615488.db2.gz FHDOYGMIEGOEBC-KRWDZBQOSA-N 1 0 325.452 4.289 20 30 EIEDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000151053569 1034629895 /nfs/dbraw/zinc/62/98/95/1034629895.db2.gz QJISEOCOJWQLHN-QGZVFWFLSA-N 1 0 330.435 4.212 20 30 EIEDRO N#Cc1c(Cl)cccc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000513153099 1034673736 /nfs/dbraw/zinc/67/37/36/1034673736.db2.gz FGIWWEOWQBYRCO-UHFFFAOYSA-N 1 0 339.870 4.331 20 30 EIEDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccc(OCC#N)cc2)C2CC2)o1 ZINC000729267277 1034767981 /nfs/dbraw/zinc/76/79/81/1034767981.db2.gz OYVFNTNEROJFIB-YWZLYKJASA-N 1 0 336.435 4.470 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000513215546 1034838680 /nfs/dbraw/zinc/83/86/80/1034838680.db2.gz ORISOIMEDSDWSW-UONOGXRCSA-N 1 0 342.405 4.169 20 30 EIEDRO COc1ccc(C#N)cc1NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000513351342 1034888144 /nfs/dbraw/zinc/88/81/44/1034888144.db2.gz LBXYFLUTJJYDNS-DNVCBOLYSA-N 1 0 327.472 4.022 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 ZINC000182586335 1034970607 /nfs/dbraw/zinc/97/06/07/1034970607.db2.gz OQLQQSUBIHPVHY-SUMWQHHRSA-N 1 0 341.842 4.280 20 30 EIEDRO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000280196097 1035194992 /nfs/dbraw/zinc/19/49/92/1035194992.db2.gz SMZFWPGPTSSKQW-GOSISDBHSA-N 1 0 349.478 4.156 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183196296 1035338012 /nfs/dbraw/zinc/33/80/12/1035338012.db2.gz GZVZUANBFAUCIM-ZDUSSCGKSA-N 1 0 348.372 4.172 20 30 EIEDRO C=C(C)CN(CC)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000501050247 1035359919 /nfs/dbraw/zinc/35/99/19/1035359919.db2.gz GBNAXZOMZISDFW-SFHVURJKSA-N 1 0 349.906 4.085 20 30 EIEDRO COc1cccc(-c2csc(C[NH2+]CC3CCC(C#N)CC3)n2)c1 ZINC000894245348 1035402652 /nfs/dbraw/zinc/40/26/52/1035402652.db2.gz AORJAQBUELWYLH-UHFFFAOYSA-N 1 0 341.480 4.238 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000178895727 1035425569 /nfs/dbraw/zinc/42/55/69/1035425569.db2.gz OGKGONZDDZDNJI-UHFFFAOYSA-N 1 0 338.304 4.037 20 30 EIEDRO CC(C)(C)CN(CCC#N)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000513713033 1035437346 /nfs/dbraw/zinc/43/73/46/1035437346.db2.gz JDOBNFITJCGGJV-UHFFFAOYSA-N 1 0 330.863 4.492 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1c(CC)oc2ccccc21 ZINC000501419942 1035441446 /nfs/dbraw/zinc/44/14/46/1035441446.db2.gz HPLVFLVBZILVEN-MRXNPFEDSA-N 1 0 340.467 4.016 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2nsc3ccccc32)cc1 ZINC000594993060 1035518098 /nfs/dbraw/zinc/51/80/98/1035518098.db2.gz DEIDNTJDJCFOED-UHFFFAOYSA-N 1 0 335.476 4.430 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)o1 ZINC000594993996 1035520946 /nfs/dbraw/zinc/52/09/46/1035520946.db2.gz CYURXXGYHCJNDP-QGZVFWFLSA-N 1 0 345.240 4.471 20 30 EIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)o1 ZINC000594999972 1035526187 /nfs/dbraw/zinc/52/61/87/1035526187.db2.gz HHNXOJGFSWEVCE-CQSZACIVSA-N 1 0 333.229 4.025 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cncc(Br)c1 ZINC000595010544 1035536416 /nfs/dbraw/zinc/53/64/16/1035536416.db2.gz XZWGWZXCYKNGJZ-NWDGAFQWSA-N 1 0 330.229 4.128 20 30 EIEDRO CC[C@H](COCC1CC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000595056149 1035538077 /nfs/dbraw/zinc/53/80/77/1035538077.db2.gz BKHOVGUKWRSYIA-QNGMFEMESA-N 1 0 326.484 4.185 20 30 EIEDRO C=CCCSCC[NH2+][C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000595060602 1035540529 /nfs/dbraw/zinc/54/05/29/1035540529.db2.gz WOIRCTCGPQHHTN-HNNXBMFYSA-N 1 0 335.517 4.176 20 30 EIEDRO Cc1ccccc1[C@H](C)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000485013165 1035581658 /nfs/dbraw/zinc/58/16/58/1035581658.db2.gz OLJOETDRRFGNQN-IBGZPJMESA-N 1 0 333.479 4.136 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)C1 ZINC000595075611 1035588765 /nfs/dbraw/zinc/58/87/65/1035588765.db2.gz AOSIHHDEWVODER-DGFSRKRXSA-N 1 0 337.286 4.019 20 30 EIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2(C#N)CCCCC2)c1C ZINC000595091619 1035600225 /nfs/dbraw/zinc/60/02/25/1035600225.db2.gz SCSKZPLDMPDGDC-INIZCTEOSA-N 1 0 327.472 4.084 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2s1)C(=O)Nc1cccc(C#N)c1 ZINC000575027126 1035656564 /nfs/dbraw/zinc/65/65/64/1035656564.db2.gz QNASELCOEGUOHI-ZIAGYGMSSA-N 1 0 349.459 4.451 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000595355592 1035669533 /nfs/dbraw/zinc/66/95/33/1035669533.db2.gz CSJMHOKRXIHWMV-SFHVURJKSA-N 1 0 331.419 4.122 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(C#N)cc2)ccc1OC(C)C ZINC000595415976 1035673494 /nfs/dbraw/zinc/67/34/94/1035673494.db2.gz OXZCLNLDEJRQBW-MRXNPFEDSA-N 1 0 338.451 4.247 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2CCc2ccccc2)cc1 ZINC000761123338 1035740208 /nfs/dbraw/zinc/74/02/08/1035740208.db2.gz KYRTYVTXMBVZKZ-FCHUYYIVSA-N 1 0 334.463 4.079 20 30 EIEDRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1)c1cccc2ccccc21 ZINC000595614394 1035747975 /nfs/dbraw/zinc/74/79/75/1035747975.db2.gz HJMZHALZFUXEJE-BZSNNMDCSA-N 1 0 349.478 4.031 20 30 EIEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1F ZINC000595690850 1035766470 /nfs/dbraw/zinc/76/64/70/1035766470.db2.gz IKFGXRVFIXGBSG-KRWDZBQOSA-N 1 0 345.443 4.074 20 30 EIEDRO Cc1cccc(Cl)c1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595770672 1035776959 /nfs/dbraw/zinc/77/69/59/1035776959.db2.gz ZQGNQBDUTCYDDA-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO Cc1cc(C)c(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c(C)c1 ZINC000595765717 1035778816 /nfs/dbraw/zinc/77/88/16/1035778816.db2.gz VWEBFOTXECDSTN-UHFFFAOYSA-N 1 0 334.463 4.279 20 30 EIEDRO C=CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)C ZINC000595765614 1035779712 /nfs/dbraw/zinc/77/97/12/1035779712.db2.gz MGULVKVGFMYOQE-OAHLLOKOSA-N 1 0 345.512 4.163 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000595747888 1035780640 /nfs/dbraw/zinc/78/06/40/1035780640.db2.gz OHBNUILVNPPTBM-RBBKRZOGSA-N 1 0 348.490 4.086 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)cc1F ZINC000595753716 1035784152 /nfs/dbraw/zinc/78/41/52/1035784152.db2.gz SQZCBSXFSNOSDA-SFHVURJKSA-N 1 0 346.446 4.072 20 30 EIEDRO C[C@]1(C#N)CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595840235 1035797192 /nfs/dbraw/zinc/79/71/92/1035797192.db2.gz POPIMHWKDNFAFO-MRXNPFEDSA-N 1 0 326.362 4.100 20 30 EIEDRO C=CC[C@@]1(C(=O)Nc2cccc(CSC(C)C)c2C)CCC[NH2+]1 ZINC000595939436 1035807160 /nfs/dbraw/zinc/80/71/60/1035807160.db2.gz IVSCOUWSCFJKPP-IBGZPJMESA-N 1 0 332.513 4.273 20 30 EIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000430043211 1035813647 /nfs/dbraw/zinc/81/36/47/1035813647.db2.gz SGDYLMVLAGOAOO-UHFFFAOYSA-N 1 0 327.409 4.107 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3ccccc3-n3ccnc31)CC2 ZINC000596095357 1035820782 /nfs/dbraw/zinc/82/07/82/1035820782.db2.gz PQQDPXWJOAECQM-VQTJNVASSA-N 1 0 340.430 4.008 20 30 EIEDRO N#Cc1cc(C[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)ccn1 ZINC000586773533 1035834843 /nfs/dbraw/zinc/83/48/43/1035834843.db2.gz TYVUFACVBIYWCM-UHFFFAOYSA-N 1 0 345.368 4.384 20 30 EIEDRO Cc1ccc(CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000586788258 1035847268 /nfs/dbraw/zinc/84/72/68/1035847268.db2.gz FKWIJCXONDBBKB-UHFFFAOYSA-N 1 0 347.506 4.366 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1F ZINC000593183864 1035892812 /nfs/dbraw/zinc/89/28/12/1035892812.db2.gz MDWTVJRHTXPCDA-MRXNPFEDSA-N 1 0 337.442 4.013 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000485469027 1035916458 /nfs/dbraw/zinc/91/64/58/1035916458.db2.gz URYIUSLRLFIWEE-UHFFFAOYSA-N 1 0 346.540 4.207 20 30 EIEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)c(-c2ccccc2)n1 ZINC000414487418 1035931558 /nfs/dbraw/zinc/93/15/58/1035931558.db2.gz SDBVHLJUJXQAPW-FPOVZHCZSA-N 1 0 348.494 4.380 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000571494495 1036058601 /nfs/dbraw/zinc/05/86/01/1036058601.db2.gz GYFNJSLCVGTASV-UHFFFAOYSA-N 1 0 326.827 4.007 20 30 EIEDRO N#CC1(c2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2)CC1 ZINC000596980493 1036063798 /nfs/dbraw/zinc/06/37/98/1036063798.db2.gz PBUJCCSNYXXFNM-UHFFFAOYSA-N 1 0 346.474 4.423 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CC=C(c4ccc(O)cc4)CC3)cc2)CC1 ZINC000596980893 1036065513 /nfs/dbraw/zinc/06/55/13/1036065513.db2.gz WHVCSBIYCIBONT-UHFFFAOYSA-N 1 0 330.431 4.237 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1 ZINC000055449096 1036069772 /nfs/dbraw/zinc/06/97/72/1036069772.db2.gz ICPNTCLUNCXXNV-MRXNPFEDSA-N 1 0 325.456 4.083 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+](Cc3ccco3)C[C@@H]3CCCO3)cc2)CC1 ZINC000597000607 1036077996 /nfs/dbraw/zinc/07/79/96/1036077996.db2.gz OCIJYBIFQULMJM-FQEVSTJZSA-N 1 0 336.435 4.016 20 30 EIEDRO COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)on1 ZINC000571607561 1036095466 /nfs/dbraw/zinc/09/54/66/1036095466.db2.gz UVXKEVBJRCZBSF-GOEBONIOSA-N 1 0 347.418 4.285 20 30 EIEDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000597088702 1036103788 /nfs/dbraw/zinc/10/37/88/1036103788.db2.gz MOAJPXVGMAFFOJ-IBGZPJMESA-N 1 0 336.435 4.318 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001127102725 1036132185 /nfs/dbraw/zinc/13/21/85/1036132185.db2.gz YPXBYRQMBSJLHP-UHFFFAOYSA-N 1 0 347.462 4.332 20 30 EIEDRO CCOc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ccc1OCC(C)C ZINC000597173311 1036140450 /nfs/dbraw/zinc/14/04/50/1036140450.db2.gz IHQJGROLEZCWRS-QGZVFWFLSA-N 1 0 330.472 4.246 20 30 EIEDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1OCC(C)C ZINC000597173310 1036143262 /nfs/dbraw/zinc/14/32/62/1036143262.db2.gz IHQJGROLEZCWRS-KRWDZBQOSA-N 1 0 330.472 4.246 20 30 EIEDRO C=CC[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000597186147 1036152941 /nfs/dbraw/zinc/15/29/41/1036152941.db2.gz BZNJYJPHFHFSCR-GOSISDBHSA-N 1 0 334.467 4.252 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c(C(F)(F)F)c1 ZINC000597214305 1036155173 /nfs/dbraw/zinc/15/51/73/1036155173.db2.gz VKQVCGHHFLCKEK-QGZVFWFLSA-N 1 0 332.325 4.060 20 30 EIEDRO N#CCCCCCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000588154717 1036246414 /nfs/dbraw/zinc/24/64/14/1036246414.db2.gz HPOBYCQCAVWFKW-UHFFFAOYSA-N 1 0 341.499 4.153 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)CC(F)(F)F ZINC000414509662 1036247285 /nfs/dbraw/zinc/24/72/85/1036247285.db2.gz CLMWUVYVARGZNK-SECBINFHSA-N 1 0 347.274 4.445 20 30 EIEDRO Cc1cnn(CCCCC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502516782 1036304704 /nfs/dbraw/zinc/30/47/04/1036304704.db2.gz OEGZLWYBDMVXMF-UHFFFAOYSA-N 1 0 334.467 4.023 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(C(F)F)cc1)C(C)C ZINC000588231083 1036306477 /nfs/dbraw/zinc/30/64/77/1036306477.db2.gz BMSRNDVCIJHVIL-QGZVFWFLSA-N 1 0 336.426 4.053 20 30 EIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421365983 1036311541 /nfs/dbraw/zinc/31/15/41/1036311541.db2.gz RKPHSINHBZSWOX-KZULUSFZSA-N 1 0 332.806 4.217 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CC23CCSCC3)ccc1OC ZINC000421377445 1036329499 /nfs/dbraw/zinc/32/94/99/1036329499.db2.gz JSJRCMCDGYLPJM-KRWDZBQOSA-N 1 0 347.524 4.273 20 30 EIEDRO COc1ccc2[nH]cc(C3CC[NH+](C[C@H](C)CCC#N)CC3)c2c1 ZINC000602451817 1036448691 /nfs/dbraw/zinc/44/86/91/1036448691.db2.gz CMBMFZBNOXHWKN-OAHLLOKOSA-N 1 0 325.456 4.296 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000602480756 1036463472 /nfs/dbraw/zinc/46/34/72/1036463472.db2.gz XWNUIVBWYRVUFO-RYUDHWBXSA-N 1 0 331.407 4.281 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000602515593 1036474347 /nfs/dbraw/zinc/47/43/47/1036474347.db2.gz QSKMOCHECSFJRP-GFCCVEGCSA-N 1 0 344.352 4.033 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000602503058 1036480266 /nfs/dbraw/zinc/48/02/66/1036480266.db2.gz KQYRWOKQJGRYLA-QGZVFWFLSA-N 1 0 344.499 4.051 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000602512127 1036486849 /nfs/dbraw/zinc/48/68/49/1036486849.db2.gz QDCRGORMAGNNJD-BBRMVZONSA-N 1 0 334.460 4.051 20 30 EIEDRO N#CC1CCC([NH2+]Cc2cccnc2Oc2cccc(F)c2)CC1 ZINC000602512998 1036487260 /nfs/dbraw/zinc/48/72/60/1036487260.db2.gz YUNGDFKJMDGKBR-UHFFFAOYSA-N 1 0 325.387 4.185 20 30 EIEDRO N#CC1CCC([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000602548536 1036489350 /nfs/dbraw/zinc/48/93/50/1036489350.db2.gz ZBEHGUFJRABEEK-IUPXNIOVSA-N 1 0 349.881 4.115 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000602572098 1036500156 /nfs/dbraw/zinc/50/01/56/1036500156.db2.gz TUFFEWKJKVDUJW-IAGOWNOFSA-N 1 0 342.508 4.310 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000602572103 1036500705 /nfs/dbraw/zinc/50/07/05/1036500705.db2.gz TUFFEWKJKVDUJW-SJORKVTESA-N 1 0 342.508 4.310 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000602586322 1036512234 /nfs/dbraw/zinc/51/22/34/1036512234.db2.gz PUGIWCRTKUDNKE-OXQOHEQNSA-N 1 0 332.451 4.192 20 30 EIEDRO N#CC1CCC([NH2+]Cc2ccnc(Oc3ccccc3F)c2)CC1 ZINC000602641923 1036534540 /nfs/dbraw/zinc/53/45/40/1036534540.db2.gz VLUBUWLLGOPSFH-UHFFFAOYSA-N 1 0 325.387 4.185 20 30 EIEDRO CC(C)[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602630918 1036543552 /nfs/dbraw/zinc/54/35/52/1036543552.db2.gz PDEYTYAPXZAVSL-AZUAARDMSA-N 1 0 328.500 4.190 20 30 EIEDRO CC(C)c1ccc(O[C@H](C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602654122 1036551564 /nfs/dbraw/zinc/55/15/64/1036551564.db2.gz JSFFOVPJPSKIKJ-QZTJIDSGSA-N 1 0 344.499 4.266 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000602673831 1036553840 /nfs/dbraw/zinc/55/38/40/1036553840.db2.gz SLLWBVLMIJDWFD-TZMCWYRMSA-N 1 0 338.904 4.467 20 30 EIEDRO COCC[C@@H]([NH2+]C[C@H](C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000602682577 1036568727 /nfs/dbraw/zinc/56/87/27/1036568727.db2.gz MKWIQPPRKOXDCX-CZUORRHYSA-N 1 0 328.378 4.312 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cc1F ZINC000602681837 1036569475 /nfs/dbraw/zinc/56/94/75/1036569475.db2.gz NBXGILSVCAEQDS-UGKGYDQZSA-N 1 0 349.453 4.155 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602701662 1036577070 /nfs/dbraw/zinc/57/70/70/1036577070.db2.gz WRQQJHKYIJTPMS-GGAORHGYSA-N 1 0 345.490 4.210 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CSCc2ccc(Br)cc21 ZINC000602712450 1036587096 /nfs/dbraw/zinc/58/70/96/1036587096.db2.gz WRABKHWCBFACSB-IAQYHMDHSA-N 1 0 339.302 4.266 20 30 EIEDRO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000588959827 1036622251 /nfs/dbraw/zinc/62/22/51/1036622251.db2.gz GFKFCCPWHYWZQK-VGSWGCGISA-N 1 0 333.479 4.046 20 30 EIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602791956 1036624673 /nfs/dbraw/zinc/62/46/73/1036624673.db2.gz YVCZIUZPCOAPCM-KRWDZBQOSA-N 1 0 336.483 4.490 20 30 EIEDRO CC[C@@H](c1ccccc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000060876343 1036626066 /nfs/dbraw/zinc/62/60/66/1036626066.db2.gz GIQNLLPOKGCDBF-QFIPXVFZSA-N 1 0 333.479 4.217 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000588961676 1036626205 /nfs/dbraw/zinc/62/62/05/1036626205.db2.gz SOGGSCGOTMFGJU-NTZNESFSSA-N 1 0 325.225 4.321 20 30 EIEDRO N#CCC1(C[NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000602805717 1036627979 /nfs/dbraw/zinc/62/79/79/1036627979.db2.gz OXMPQMKUKKUPRH-GOSISDBHSA-N 1 0 325.843 4.302 20 30 EIEDRO N#CC1(CC[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CCCCC1 ZINC000602885651 1036659251 /nfs/dbraw/zinc/65/92/51/1036659251.db2.gz ZHUZLKTZSXKQGP-SFHVURJKSA-N 1 0 334.467 4.283 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)nc1 ZINC000602907627 1036660984 /nfs/dbraw/zinc/66/09/84/1036660984.db2.gz OUNZAWGWYWPFQL-UHFFFAOYSA-N 1 0 327.378 4.270 20 30 EIEDRO C[C@@H](c1ccc(F)cc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909263 1036662791 /nfs/dbraw/zinc/66/27/91/1036662791.db2.gz LBTCKGVOKOSLLP-ZDUSSCGKSA-N 1 0 327.378 4.172 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cc(Cl)ccc1N1CCOCC1)C1CC1 ZINC000467404827 1036662516 /nfs/dbraw/zinc/66/25/16/1036662516.db2.gz DEOURHRERFVSPU-GOSISDBHSA-N 1 0 334.891 4.011 20 30 EIEDRO CC(C)[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598603515 1036705519 /nfs/dbraw/zinc/70/55/19/1036705519.db2.gz VALDBTCFFKBSSO-HZPDHXFCSA-N 1 0 342.405 4.293 20 30 EIEDRO CC(C)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1F ZINC000598604001 1036706379 /nfs/dbraw/zinc/70/63/79/1036706379.db2.gz NJBNOFHAJBPZMF-CJNGLKHVSA-N 1 0 326.843 4.067 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000598613362 1036714841 /nfs/dbraw/zinc/71/48/41/1036714841.db2.gz WBERJZJVJSKRMF-RDBSUJKOSA-N 1 0 342.405 4.088 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@](C)(Cc1ccccc1)c1ccccc1 ZINC000598621767 1036717028 /nfs/dbraw/zinc/71/70/28/1036717028.db2.gz LWLFGJHZJYUECQ-UNMCSNQZSA-N 1 0 336.479 4.035 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCSCc1ccccc1F)CC2 ZINC000589337149 1036739070 /nfs/dbraw/zinc/73/90/70/1036739070.db2.gz KJBOLCUOQHOEGT-IBGZPJMESA-N 1 0 326.440 4.208 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C1 ZINC000589344100 1036741861 /nfs/dbraw/zinc/74/18/61/1036741861.db2.gz YELZHSAWOSIIKJ-GXTWGEPZSA-N 1 0 346.272 4.145 20 30 EIEDRO COC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000589343281 1036742850 /nfs/dbraw/zinc/74/28/50/1036742850.db2.gz HFXIGNZXKPIFJH-RTBURBONSA-N 1 0 326.827 4.176 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1-c1ccc(Cl)cc1 ZINC000598721684 1036760389 /nfs/dbraw/zinc/76/03/89/1036760389.db2.gz YJECPAVTZWZCIO-GOSISDBHSA-N 1 0 342.870 4.397 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502908115 1036777001 /nfs/dbraw/zinc/77/70/01/1036777001.db2.gz YYJUNSVDWDCNKU-KRWDZBQOSA-N 1 0 335.451 4.188 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000593619627 1036782532 /nfs/dbraw/zinc/78/25/32/1036782532.db2.gz ABICZKHWBDCGQU-DNVCBOLYSA-N 1 0 342.483 4.283 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000593619629 1036783753 /nfs/dbraw/zinc/78/37/53/1036783753.db2.gz ABICZKHWBDCGQU-KXBFYZLASA-N 1 0 342.483 4.283 20 30 EIEDRO CC(C)c1[nH+]c(CN[C@@H]2CCc3cc(C#N)ccc32)c2ccccn21 ZINC000593622504 1036786250 /nfs/dbraw/zinc/78/62/50/1036786250.db2.gz YGPSJGWTBUYFAW-GOSISDBHSA-N 1 0 330.435 4.106 20 30 EIEDRO C=CCCc1ccccc1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000669675459 1036794083 /nfs/dbraw/zinc/79/40/83/1036794083.db2.gz LORBOMACGVNYCA-UHFFFAOYSA-N 1 0 326.440 4.492 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)s1 ZINC000421880083 1036831471 /nfs/dbraw/zinc/83/14/71/1036831471.db2.gz NZWSFPRGLOGAQA-ZWKOTPCHSA-N 1 0 346.883 4.153 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc(C(F)(F)F)c1 ZINC000598973656 1036837236 /nfs/dbraw/zinc/83/72/36/1036837236.db2.gz DZOPOZWKECDXNN-SFHVURJKSA-N 1 0 346.352 4.363 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(F)c(Br)cc1F ZINC000598999792 1036842614 /nfs/dbraw/zinc/84/26/14/1036842614.db2.gz HMXYLZQBYDUAKJ-UHFFFAOYSA-N 1 0 331.204 4.147 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)o1 ZINC000599009840 1036843883 /nfs/dbraw/zinc/84/38/83/1036843883.db2.gz MMURKKNNNNDBFB-QGZVFWFLSA-N 1 0 325.799 4.453 20 30 EIEDRO Cc1cc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)ccc1C#N ZINC000599013867 1036850970 /nfs/dbraw/zinc/85/09/70/1036850970.db2.gz NYWSJFLULIVCFJ-GOSISDBHSA-N 1 0 349.261 4.387 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)s1 ZINC000599015861 1036852778 /nfs/dbraw/zinc/85/27/78/1036852778.db2.gz STYMQOUBVGTGTR-HNNXBMFYSA-N 1 0 341.263 4.140 20 30 EIEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000486808379 1036859811 /nfs/dbraw/zinc/85/98/11/1036859811.db2.gz BSJFJIWQEMDEOA-CXAGYDPISA-N 1 0 333.863 4.051 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1 ZINC000599057341 1036864870 /nfs/dbraw/zinc/86/48/70/1036864870.db2.gz CQHIFGQUBTUTNN-WMZOPIPTSA-N 1 0 342.487 4.064 20 30 EIEDRO C=CCc1cc(C[NH2+]CCc2ccc3ccccc3n2)cc(OC)c1O ZINC000603512807 1036870933 /nfs/dbraw/zinc/87/09/33/1036870933.db2.gz WCSPHCDLFKVNFP-UHFFFAOYSA-N 1 0 348.446 4.010 20 30 EIEDRO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000486901364 1036882375 /nfs/dbraw/zinc/88/23/75/1036882375.db2.gz IQRVQIJWYDAJHK-UHFFFAOYSA-N 1 0 339.464 4.248 20 30 EIEDRO CCC[N@H+](Cc1cc(C#N)cs1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503074656 1036892768 /nfs/dbraw/zinc/89/27/68/1036892768.db2.gz OUXQCQJFBMVSQK-HNNXBMFYSA-N 1 0 341.480 4.249 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccccc3C3CC3)CC2)c1 ZINC000593693308 1036899135 /nfs/dbraw/zinc/89/91/35/1036899135.db2.gz TZGSBSFESOEPLU-UHFFFAOYSA-N 1 0 345.490 4.190 20 30 EIEDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1C#N ZINC000599276959 1036933156 /nfs/dbraw/zinc/93/31/56/1036933156.db2.gz HALUILSWXKOWQS-RBBKRZOGSA-N 1 0 334.463 4.466 20 30 EIEDRO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000503158602 1036953872 /nfs/dbraw/zinc/95/38/72/1036953872.db2.gz AHMNVUBGVVXFGK-IBGZPJMESA-N 1 0 349.434 4.163 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Cl)c2ccccc21 ZINC000599361298 1036976088 /nfs/dbraw/zinc/97/60/88/1036976088.db2.gz UOJUKHOYUTVPDJ-ZIAGYGMSSA-N 1 0 328.843 4.199 20 30 EIEDRO N#CC1(C[C@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000599362020 1036976952 /nfs/dbraw/zinc/97/69/52/1036976952.db2.gz OLRLDLIXWAZRQX-ROUUACIJSA-N 1 0 332.875 4.216 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCCC34CCCC4)CC2)nc1 ZINC000590243055 1037019353 /nfs/dbraw/zinc/01/93/53/1037019353.db2.gz ONIOHQHTIDMRBK-LJQANCHMSA-N 1 0 338.499 4.015 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C(=O)OC)cc1 ZINC000590254482 1037021516 /nfs/dbraw/zinc/02/15/16/1037021516.db2.gz YXWPWPZQEQYLJK-GOSISDBHSA-N 1 0 342.826 4.239 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000271823950 1037025618 /nfs/dbraw/zinc/02/56/18/1037025618.db2.gz CUUXPMWDFMCMBA-WMZOPIPTSA-N 1 0 328.456 4.121 20 30 EIEDRO C[C@@H](CCC#N)[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000599515481 1037047394 /nfs/dbraw/zinc/04/73/94/1037047394.db2.gz UBPSVEHACOYFMK-HNNXBMFYSA-N 1 0 330.476 4.064 20 30 EIEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000599526779 1037058448 /nfs/dbraw/zinc/05/84/48/1037058448.db2.gz RSMQWEJWKIYECA-WFASDCNBSA-N 1 0 339.302 4.308 20 30 EIEDRO CC1CC[NH+](Cc2ccc(NC(=O)C3(C#N)CCCCC3)cc2)CC1 ZINC000057432284 1037060024 /nfs/dbraw/zinc/06/00/24/1037060024.db2.gz XUICZQITDSPHQR-UHFFFAOYSA-N 1 0 339.483 4.331 20 30 EIEDRO Cn1nccc1-c1ccccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000572976307 1037086523 /nfs/dbraw/zinc/08/65/23/1037086523.db2.gz NIKSBSGQHOLYAD-NRFANRHFSA-N 1 0 342.446 4.126 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000057555292 1037109581 /nfs/dbraw/zinc/10/95/81/1037109581.db2.gz ZNXIHBOKFWTELS-IRXDYDNUSA-N 1 0 349.478 4.222 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000604046892 1037164040 /nfs/dbraw/zinc/16/40/40/1037164040.db2.gz CNWNHJHRNYQJIR-ZIAGYGMSSA-N 1 0 341.842 4.198 20 30 EIEDRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000590957391 1037212169 /nfs/dbraw/zinc/21/21/69/1037212169.db2.gz WQFQGHFYQRMERI-LBPRGKRZSA-N 1 0 336.464 4.304 20 30 EIEDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc(Cl)c1O ZINC000590957306 1037213085 /nfs/dbraw/zinc/21/30/85/1037213085.db2.gz BETYKEOAENLITI-LBPRGKRZSA-N 1 0 330.815 4.167 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CC4(CC(F)C4)C3)c2)c1 ZINC000590969350 1037220287 /nfs/dbraw/zinc/22/02/87/1037220287.db2.gz YTWKRPYJIBDAKO-UHFFFAOYSA-N 1 0 336.410 4.071 20 30 EIEDRO C=CCSCC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000229560946 1037259233 /nfs/dbraw/zinc/25/92/33/1037259233.db2.gz MXJSYBFCZBKYAP-ZDUSSCGKSA-N 1 0 330.291 4.115 20 30 EIEDRO CC(C)(C)n1cc(C[NH2+]CCCC#N)c(-c2ccccc2Cl)n1 ZINC000273010318 1037345056 /nfs/dbraw/zinc/34/50/56/1037345056.db2.gz BYQMMYYYPDBKLL-UHFFFAOYSA-N 1 0 330.863 4.352 20 30 EIEDRO C[NH+](C)[C@H](CC(=O)Nc1ccc(CC#N)cc1Cl)c1ccccc1 ZINC000573091461 1037345818 /nfs/dbraw/zinc/34/58/18/1037345818.db2.gz RDODWWPUTQXJDF-GOSISDBHSA-N 1 0 341.842 4.038 20 30 EIEDRO Cc1ccc2ncc(C#N)c(N3CCC[C@H]([NH+]4[C@H](C)CC[C@H]4C)C3)c2c1 ZINC000488052808 1037348867 /nfs/dbraw/zinc/34/88/67/1037348867.db2.gz CHRFXQVAGFWTFH-LMMKCTJWSA-N 1 0 348.494 4.257 20 30 EIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488109875 1037359512 /nfs/dbraw/zinc/35/95/12/1037359512.db2.gz KWBKCIGJCQLTOI-FQEVSTJZSA-N 1 0 344.462 4.189 20 30 EIEDRO C[C@H]1C[C@H](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC000273157748 1037366993 /nfs/dbraw/zinc/36/69/93/1037366993.db2.gz JRIXLURPEKGUSO-GTROLIPKSA-N 1 0 326.484 4.185 20 30 EIEDRO C=CCN1CCC([NH2+]Cc2ccc(-c3cccc(F)c3C)o2)CC1 ZINC000604416130 1037383654 /nfs/dbraw/zinc/38/36/54/1037383654.db2.gz HJQVLRSKZZWPFJ-UHFFFAOYSA-N 1 0 328.431 4.134 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000591348974 1037390673 /nfs/dbraw/zinc/39/06/73/1037390673.db2.gz VEJIZOSBIZKPNR-SJKOYZFVSA-N 1 0 333.391 4.133 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CCC2CCCCC2)CC1 ZINC000604588134 1037449204 /nfs/dbraw/zinc/44/92/04/1037449204.db2.gz QOYOQWFVCSMDOX-KRWDZBQOSA-N 1 0 335.536 4.075 20 30 EIEDRO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000573256018 1037459033 /nfs/dbraw/zinc/45/90/33/1037459033.db2.gz VUPIEEVQDIFGKT-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO COc1ncccc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000488258512 1037461614 /nfs/dbraw/zinc/46/16/14/1037461614.db2.gz YDRBVGXIJFTQEA-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000171563128 1037486742 /nfs/dbraw/zinc/48/67/42/1037486742.db2.gz XXQYRKMEAZEDHR-KRWDZBQOSA-N 1 0 337.467 4.113 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000591580703 1037505564 /nfs/dbraw/zinc/50/55/64/1037505564.db2.gz NPEMRYNABFOYLR-GOTSBHOMSA-N 1 0 341.458 4.378 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000488318464 1037506617 /nfs/dbraw/zinc/50/66/17/1037506617.db2.gz JXAQSWOBXSMZND-KUHUBIRLSA-N 1 0 328.843 4.386 20 30 EIEDRO C=CCC(C)(C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000488325769 1037532310 /nfs/dbraw/zinc/53/23/10/1037532310.db2.gz PMRWCSOCHKWUFV-IEBWSBKVSA-N 1 0 328.500 4.006 20 30 EIEDRO C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000760910336 1037658393 /nfs/dbraw/zinc/65/83/93/1037658393.db2.gz WNHWTMDXNMLTSN-SBGRQLAYSA-N 1 0 338.426 4.178 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cccc(CC#N)c3)cc2)C1 ZINC000046156344 1037712145 /nfs/dbraw/zinc/71/21/45/1037712145.db2.gz YDTFRCFUEWKZAP-QGZVFWFLSA-N 1 0 347.462 4.237 20 30 EIEDRO C=CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704521 1037717998 /nfs/dbraw/zinc/71/79/98/1037717998.db2.gz SHLOECJIGLNMJR-NYVOZVTQSA-N 1 0 348.490 4.298 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(OCCCCC)cc2)CC1 ZINC000592077263 1037733621 /nfs/dbraw/zinc/73/36/21/1037733621.db2.gz SLKPTNBTESGHDX-UHFFFAOYSA-N 1 0 344.499 4.026 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCC(C)(C)C ZINC000592145323 1037739587 /nfs/dbraw/zinc/73/95/87/1037739587.db2.gz SPXHQCFLNGPYOZ-HNNXBMFYSA-N 1 0 347.528 4.245 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCCc2ccc(O)cc2)ccc1OC ZINC000605322663 1037748944 /nfs/dbraw/zinc/74/89/44/1037748944.db2.gz STWCEGMEWHUXAS-UHFFFAOYSA-N 1 0 341.451 4.078 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H](C)c1ccccc1)C(C)C ZINC000503435921 1037758940 /nfs/dbraw/zinc/75/89/40/1037758940.db2.gz JGMOWPQJEYMOOH-AZUAARDMSA-N 1 0 343.515 4.088 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592160432 1037766577 /nfs/dbraw/zinc/76/65/77/1037766577.db2.gz TXJZODVHKSTCHW-HNNXBMFYSA-N 1 0 328.456 4.063 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000592303765 1037774597 /nfs/dbraw/zinc/77/45/97/1037774597.db2.gz OIOVBFBIAFULHL-GOSISDBHSA-N 1 0 349.906 4.131 20 30 EIEDRO CCCC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2ncsc2C1 ZINC000592187207 1037781435 /nfs/dbraw/zinc/78/14/35/1037781435.db2.gz IFFPECCJKWTELL-QGZVFWFLSA-N 1 0 325.481 4.174 20 30 EIEDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000592380299 1037792545 /nfs/dbraw/zinc/79/25/45/1037792545.db2.gz QMHJQGPWYFKHQN-QRWLVFNGSA-N 1 0 338.476 4.121 20 30 EIEDRO C=CCn1c(SCC[NH+]2CCCCC2)nnc1-c1ccccc1C ZINC000488919119 1037805330 /nfs/dbraw/zinc/80/53/30/1037805330.db2.gz YDWMMKJBWQKPRV-UHFFFAOYSA-N 1 0 342.512 4.018 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000503576442 1037825416 /nfs/dbraw/zinc/82/54/16/1037825416.db2.gz PZFQGBSEVOOHAA-CYBMUJFWSA-N 1 0 329.241 4.214 20 30 EIEDRO Cc1ccc(C[N@@H+](Cc2cccc(OCCCC#N)c2)CC2CC2)cn1 ZINC000592525407 1037826184 /nfs/dbraw/zinc/82/61/84/1037826184.db2.gz LMIILXPNHLIQEI-UHFFFAOYSA-N 1 0 349.478 4.485 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000488997514 1037830693 /nfs/dbraw/zinc/83/06/93/1037830693.db2.gz SJDSXZOYKYIOKD-MOPGFXCFSA-N 1 0 344.817 4.279 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000488997515 1037831172 /nfs/dbraw/zinc/83/11/72/1037831172.db2.gz SJDSXZOYKYIOKD-OALUTQOASA-N 1 0 344.817 4.279 20 30 EIEDRO C=C1CCC(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001127209095 1037883451 /nfs/dbraw/zinc/88/34/51/1037883451.db2.gz RXTDUIJVPUDSRG-QUCCMNQESA-N 1 0 340.511 4.150 20 30 EIEDRO C=C(C)CN(CC)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000503705995 1037887565 /nfs/dbraw/zinc/88/75/65/1037887565.db2.gz BMRPECYXMGWXGV-GOSISDBHSA-N 1 0 343.515 4.258 20 30 EIEDRO C=C(C)CN(CC)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000503705996 1037887751 /nfs/dbraw/zinc/88/77/51/1037887751.db2.gz BMRPECYXMGWXGV-SFHVURJKSA-N 1 0 343.515 4.258 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1 ZINC000593055220 1037915665 /nfs/dbraw/zinc/91/56/65/1037915665.db2.gz RRBMBTCXQAQSQE-UHFFFAOYSA-N 1 0 340.364 4.354 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(C#N)c(F)c3)C2)cc1F ZINC000503873710 1037956542 /nfs/dbraw/zinc/95/65/42/1037956542.db2.gz PHRLIBDZZOLDIZ-CSMYWGQOSA-N 1 0 342.389 4.442 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CCOC)c2ccco2)cc1Cl ZINC000503957795 1038051237 /nfs/dbraw/zinc/05/12/37/1038051237.db2.gz AHBYXLCIDXJLAE-MRXNPFEDSA-N 1 0 335.831 4.365 20 30 EIEDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075747027 1038067457 /nfs/dbraw/zinc/06/74/57/1038067457.db2.gz LHRQYEXCENLANL-QGZVFWFLSA-N 1 0 338.455 4.256 20 30 EIEDRO CC(C)c1ccc([C@@H](N)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423250832 1038082735 /nfs/dbraw/zinc/08/27/35/1038082735.db2.gz VPVHPJVEJYXFCN-VLIAUNLRSA-N 1 0 325.431 4.171 20 30 EIEDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000592501483 1038090592 /nfs/dbraw/zinc/09/05/92/1038090592.db2.gz BZOAFIWUVBWGDI-HXUWFJFHSA-N 1 0 345.450 4.061 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)C1 ZINC000593660161 1038119110 /nfs/dbraw/zinc/11/91/10/1038119110.db2.gz CGBICINQWXRWDK-GDBMZVCRSA-N 1 0 325.387 4.185 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C#N)CCCC2)c(Cl)c1 ZINC000593653128 1038120038 /nfs/dbraw/zinc/12/00/38/1038120038.db2.gz CNUKHLLWKCXTIX-AWEZNQCLSA-N 1 0 333.863 4.039 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)OCc2ccccc23)c(Cl)c1 ZINC000615225017 1038203996 /nfs/dbraw/zinc/20/39/96/1038203996.db2.gz NGQXUIQBVUPXEY-UHFFFAOYSA-N 1 0 338.838 4.233 20 30 EIEDRO COc1ccc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)cc1C#N ZINC000150884851 1038207597 /nfs/dbraw/zinc/20/75/97/1038207597.db2.gz OMVXQTFPOBJOMU-IBGZPJMESA-N 1 0 330.378 4.332 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033423 1038235493 /nfs/dbraw/zinc/23/54/93/1038235493.db2.gz PTSOGRLBYJRNLN-UHFFFAOYSA-N 1 0 328.456 4.039 20 30 EIEDRO Cc1cc(C)c(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(C)c1 ZINC000594032532 1038237492 /nfs/dbraw/zinc/23/74/92/1038237492.db2.gz WINWRIWZVQXYNO-UHFFFAOYSA-N 1 0 347.462 4.091 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC1CC[NH+](Cc2ccccc2)CC1 ZINC000912773281 1038289053 /nfs/dbraw/zinc/28/90/53/1038289053.db2.gz FTNUSRFNLOHYSQ-HZHRSRAPSA-N 1 0 345.446 4.024 20 30 EIEDRO CCc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+](C)C)cc1 ZINC000912777903 1038291177 /nfs/dbraw/zinc/29/11/77/1038291177.db2.gz XVRCCSGOOHBAKX-KURUZVKSSA-N 1 0 347.462 4.225 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000912780882 1038303954 /nfs/dbraw/zinc/30/39/54/1038303954.db2.gz KJPHOZVQCBQKKF-HAHDFKILSA-N 1 0 345.446 4.155 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000606969034 1038325518 /nfs/dbraw/zinc/32/55/18/1038325518.db2.gz TVNRPGGVUPVVDM-GOSISDBHSA-N 1 0 347.503 4.194 20 30 EIEDRO C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594431569 1038333137 /nfs/dbraw/zinc/33/31/37/1038333137.db2.gz NZJPVWKZDBOSRB-IERDGZPVSA-N 1 0 349.478 4.303 20 30 EIEDRO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594434226 1038333713 /nfs/dbraw/zinc/33/37/13/1038333713.db2.gz XWBZMKDIJDPWKV-UTKZUKDTSA-N 1 0 349.478 4.284 20 30 EIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H]1CCCCN1C ZINC000592755773 1038336195 /nfs/dbraw/zinc/33/61/95/1038336195.db2.gz YCLIBTCEEXWGOZ-FQEVSTJZSA-N 1 0 349.434 4.082 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000594440422 1038336705 /nfs/dbraw/zinc/33/67/05/1038336705.db2.gz ZDRTYVYNBVZUOU-PMACEKPBSA-N 1 0 341.499 4.226 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)cc1 ZINC000594495969 1038344822 /nfs/dbraw/zinc/34/48/22/1038344822.db2.gz VTJXKKQINDEZMX-UHFFFAOYSA-N 1 0 349.478 4.494 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)cc1 ZINC000594510868 1038355202 /nfs/dbraw/zinc/35/52/02/1038355202.db2.gz MEZUCILCZNIXFE-RTWAWAEBSA-N 1 0 334.463 4.498 20 30 EIEDRO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC1CCC(C#N)CC1 ZINC000594518416 1038361360 /nfs/dbraw/zinc/36/13/60/1038361360.db2.gz IDLGSHVKFNTOQY-UHFFFAOYSA-N 1 0 342.874 4.254 20 30 EIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594522430 1038362309 /nfs/dbraw/zinc/36/23/09/1038362309.db2.gz LMRPYEXTKLZTEY-IBGZPJMESA-N 1 0 338.426 4.413 20 30 EIEDRO CC(C)Cc1ncc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594522555 1038363501 /nfs/dbraw/zinc/36/35/01/1038363501.db2.gz ZSAKPVPZHYDNRH-UHFFFAOYSA-N 1 0 325.481 4.382 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000594711998 1038391984 /nfs/dbraw/zinc/39/19/84/1038391984.db2.gz OSUVILDIPZVSAY-BLLLJJGKSA-N 1 0 326.362 4.099 20 30 EIEDRO CC(C)CC[NH+](CCC(=O)Nc1ccccc1C#N)CCC(C)C ZINC000063493687 1038394269 /nfs/dbraw/zinc/39/42/69/1038394269.db2.gz IKVSORSVTKHRQJ-UHFFFAOYSA-N 1 0 329.488 4.281 20 30 EIEDRO CC(C)(C)c1csc(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594918930 1038423759 /nfs/dbraw/zinc/42/37/59/1038423759.db2.gz CKAKSCHJJJEPFL-UHFFFAOYSA-N 1 0 339.508 4.328 20 30 EIEDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594920897 1038426472 /nfs/dbraw/zinc/42/64/72/1038426472.db2.gz BPDJBNQHKYUVMJ-UHFFFAOYSA-N 1 0 347.462 4.270 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C2CC2)cc1 ZINC000594918263 1038427439 /nfs/dbraw/zinc/42/74/39/1038427439.db2.gz MUPVNTKLJLNTAO-OAQYLSRUSA-N 1 0 332.447 4.491 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3cc(Br)cs3)cc2)CC1 ZINC000594925537 1038429091 /nfs/dbraw/zinc/42/90/91/1038429091.db2.gz NLIYXWGODUYXDB-UHFFFAOYSA-N 1 0 347.281 4.356 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCCCOCc3ccccc3)cc2)CC1 ZINC000594927487 1038430508 /nfs/dbraw/zinc/43/05/08/1038430508.db2.gz RGKQRZUPPKQFAN-UHFFFAOYSA-N 1 0 334.463 4.328 20 30 EIEDRO Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424102462 1038494726 /nfs/dbraw/zinc/49/47/26/1038494726.db2.gz ONUIWUAFXREXOG-INIZCTEOSA-N 1 0 337.423 4.055 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1OCCc2sccc21 ZINC000594945752 1038514437 /nfs/dbraw/zinc/51/44/37/1038514437.db2.gz WUCRANJESXXHPP-KUHUBIRLSA-N 1 0 338.476 4.095 20 30 EIEDRO COC[C@@H](C)Oc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000594961357 1038540823 /nfs/dbraw/zinc/54/08/23/1038540823.db2.gz XTNHWBSQDNMGJP-UTKZUKDTSA-N 1 0 338.451 4.235 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000424168885 1038717635 /nfs/dbraw/zinc/71/76/35/1038717635.db2.gz GSFYGDZTFPUOHR-BPTWVKRQSA-N 1 0 325.374 4.289 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000424325514 1038805657 /nfs/dbraw/zinc/80/56/57/1038805657.db2.gz LGFMYKPHJZHHAU-GDIGMMSISA-N 1 0 325.843 4.301 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539087044 1038816551 /nfs/dbraw/zinc/81/65/51/1038816551.db2.gz PXOSDLKZGVBMJD-ZDUSSCGKSA-N 1 0 348.324 4.316 20 30 EIEDRO COc1cccc2c1CC[C@@H]2[NH2+]CCSCc1ccccc1C#N ZINC000539072568 1038820366 /nfs/dbraw/zinc/82/03/66/1038820366.db2.gz DANSRXXYGHNZHC-IBGZPJMESA-N 1 0 338.476 4.077 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cc(F)cc(F)c1 ZINC000539071334 1038820846 /nfs/dbraw/zinc/82/08/46/1038820846.db2.gz IRJRRQRFYBVMTB-ZDUSSCGKSA-N 1 0 332.419 4.420 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCc2ccc3ccccc3c2)cc1 ZINC000237488538 1038826108 /nfs/dbraw/zinc/82/61/08/1038826108.db2.gz NSISQWILSLYLAG-KRWDZBQOSA-N 1 0 330.431 4.463 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000539088243 1038830647 /nfs/dbraw/zinc/83/06/47/1038830647.db2.gz QNMAIFZAWQZBPM-CYBMUJFWSA-N 1 0 348.324 4.316 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000174131916 1038846617 /nfs/dbraw/zinc/84/66/17/1038846617.db2.gz CQAYQEBBAMANOG-IAGOWNOFSA-N 1 0 346.434 4.014 20 30 EIEDRO Cc1nc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c(Cl)cc1C#N ZINC000461971746 1038858387 /nfs/dbraw/zinc/85/83/87/1038858387.db2.gz IQTBAAPUSHEWOB-CXAGYDPISA-N 1 0 328.847 4.018 20 30 EIEDRO C=CCCC[C@H](C)[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000539198881 1038875983 /nfs/dbraw/zinc/87/59/83/1038875983.db2.gz WHRKCDHENPJOCF-KRWDZBQOSA-N 1 0 346.490 4.207 20 30 EIEDRO CC[C@@H](CC#N)[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000462054218 1038887040 /nfs/dbraw/zinc/88/70/40/1038887040.db2.gz AGENGIYPFNNIKA-KRWDZBQOSA-N 1 0 328.406 4.400 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1C#N ZINC000174270187 1038887480 /nfs/dbraw/zinc/88/74/80/1038887480.db2.gz KJWBXNVYVAEDOT-UHFFFAOYSA-N 1 0 338.304 4.015 20 30 EIEDRO CCC(CC)[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccs1 ZINC000539277964 1038909054 /nfs/dbraw/zinc/90/90/54/1038909054.db2.gz YIZAGTNVWSQPRJ-INIZCTEOSA-N 1 0 347.509 4.387 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1OC ZINC000539296988 1038948615 /nfs/dbraw/zinc/94/86/15/1038948615.db2.gz HTWJQONWFIQPSS-OAHLLOKOSA-N 1 0 343.854 4.368 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(c2cccc(OC)c2)C1)c1ccco1 ZINC000552044572 1039063395 /nfs/dbraw/zinc/06/33/95/1039063395.db2.gz GTWNALNMLBBQQL-LPHOPBHVSA-N 1 0 326.440 4.164 20 30 EIEDRO CC[N@H+](Cc1cc(Br)ccc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000555334210 1039067611 /nfs/dbraw/zinc/06/76/11/1039067611.db2.gz PZWVNAQRFQZPPX-RISCZKNCSA-N 1 0 325.225 4.102 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000424771997 1039080086 /nfs/dbraw/zinc/08/00/86/1039080086.db2.gz DMUQSGJHMSAFGB-OAHLLOKOSA-N 1 0 342.405 4.027 20 30 EIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481185027 1039089346 /nfs/dbraw/zinc/08/93/46/1039089346.db2.gz CKMGQDIACRERSI-QAPCUYQASA-N 1 0 347.890 4.145 20 30 EIEDRO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000481270481 1039202969 /nfs/dbraw/zinc/20/29/69/1039202969.db2.gz RCDTYIANMSJUBP-NEPJUHHUSA-N 1 0 329.271 4.067 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2C[C@@H](C(=O)OC)C2(C)C)cc1 ZINC001168340222 1039246063 /nfs/dbraw/zinc/24/60/63/1039246063.db2.gz GDKOTSMOYBXZBY-OTWHNJEPSA-N 1 0 342.483 4.009 20 30 EIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(C4(C#N)CC4)cc3)ccc21 ZINC000456283420 1039253305 /nfs/dbraw/zinc/25/33/05/1039253305.db2.gz SRMNQLMMTCWEJL-FQEVSTJZSA-N 1 0 345.446 4.043 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000552258709 1039321474 /nfs/dbraw/zinc/32/14/74/1039321474.db2.gz VIKPBFVTCYORHP-DUXKGJEZSA-N 1 0 338.426 4.138 20 30 EIEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000555527358 1039328034 /nfs/dbraw/zinc/32/80/34/1039328034.db2.gz CUDMTRWFXZBBDM-WPGHFRTFSA-N 1 0 333.273 4.354 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccco1 ZINC000552282932 1039338316 /nfs/dbraw/zinc/33/83/16/1039338316.db2.gz SGOUUQJJXGRJJK-YJBOKZPZSA-N 1 0 335.394 4.006 20 30 EIEDRO N#CCCn1cc(C[N@H+]2CCCC(F)(F)CC2)c(-c2ccccc2)n1 ZINC000600189063 1039350800 /nfs/dbraw/zinc/35/08/00/1039350800.db2.gz RPDCYSLLCKYZML-UHFFFAOYSA-N 1 0 344.409 4.085 20 30 EIEDRO COC(=O)c1cccc(CN2CCCCC[C@H]2c2ccco2)c1C#N ZINC000534473013 1039494757 /nfs/dbraw/zinc/49/47/57/1039494757.db2.gz WKABBPRXJVBRQY-SFHVURJKSA-N 1 0 338.407 4.055 20 30 EIEDRO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(O)c2)cc1OC ZINC000093315804 1039659980 /nfs/dbraw/zinc/65/99/80/1039659980.db2.gz LHBVBXZJOWUPOU-OAHLLOKOSA-N 1 0 327.424 4.159 20 30 EIEDRO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1)CCC2 ZINC000093364965 1039667790 /nfs/dbraw/zinc/66/77/90/1039667790.db2.gz NOSRDWFKAONKPL-UGSOOPFHSA-N 1 0 341.480 4.252 20 30 EIEDRO CN1CC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)[C@H]1c1ccccc1 ZINC000481657688 1039697463 /nfs/dbraw/zinc/69/74/63/1039697463.db2.gz NKNFHTHSECRKLY-RJGXRXQPSA-N 1 0 345.490 4.361 20 30 EIEDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000093445091 1039699832 /nfs/dbraw/zinc/69/98/32/1039699832.db2.gz XNDYDZYNIZBLKK-OAQYLSRUSA-N 1 0 335.451 4.410 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCCO[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000514192381 1039756657 /nfs/dbraw/zinc/75/66/57/1039756657.db2.gz HSMGICYSSNRDHH-QZTJIDSGSA-N 1 0 325.399 4.105 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC2(N(C)C)CCCCC2)ccc1OC ZINC000060927038 1039777490 /nfs/dbraw/zinc/77/74/90/1039777490.db2.gz CALUJFCHLWWECF-UHFFFAOYSA-N 1 0 346.515 4.004 20 30 EIEDRO N#CC1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000061040311 1039783730 /nfs/dbraw/zinc/78/37/30/1039783730.db2.gz HMLASHWCAGYKTE-UHFFFAOYSA-N 1 0 326.362 4.100 20 30 EIEDRO Cc1cc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1C#N ZINC000434660947 1039787689 /nfs/dbraw/zinc/78/76/89/1039787689.db2.gz GCORZRQEPDMYQG-UHFFFAOYSA-N 1 0 336.410 4.101 20 30 EIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000514232918 1039789059 /nfs/dbraw/zinc/78/90/59/1039789059.db2.gz SEWYFEMTVMVLQM-XIKOKIGWSA-N 1 0 332.806 4.389 20 30 EIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000430078437 1039829462 /nfs/dbraw/zinc/82/94/62/1039829462.db2.gz ROXMRFBDDDBDCN-UHFFFAOYSA-N 1 0 327.409 4.107 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1Cl ZINC000537650185 1039830207 /nfs/dbraw/zinc/83/02/07/1039830207.db2.gz KWGGSWNRUYPUHH-KRWDZBQOSA-N 1 0 335.875 4.153 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000442675459 1039844866 /nfs/dbraw/zinc/84/48/66/1039844866.db2.gz YTHRIRBWEMXNIW-XMSQKQJNSA-N 1 0 334.463 4.343 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1OC ZINC000430107667 1039849088 /nfs/dbraw/zinc/84/90/88/1039849088.db2.gz SPOCUAPJBIWZEP-MSOLQXFVSA-N 1 0 337.410 4.127 20 30 EIEDRO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000096965875 1039856339 /nfs/dbraw/zinc/85/63/39/1039856339.db2.gz BMPJXTBGZQEEMC-UHFFFAOYSA-N 1 0 345.446 4.260 20 30 EIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000434839934 1039881093 /nfs/dbraw/zinc/88/10/93/1039881093.db2.gz HJRZXMGQVXZQFE-SFHVURJKSA-N 1 0 339.439 4.180 20 30 EIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(N2CCCC2)c1 ZINC000281938435 1039889539 /nfs/dbraw/zinc/88/95/39/1039889539.db2.gz IPSCYLQZXRPHHC-SFHVURJKSA-N 1 0 341.499 4.038 20 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/nfs/dbraw/zinc/04/88/40/1040048840.db2.gz CVVSWHLBJADUDH-NSHDSACASA-N 1 0 346.780 4.079 20 30 EIEDRO CC(C)[N@H+](CCc1nccs1)Cc1ccccc1C(C)(C)C#N ZINC000159878086 1040244502 /nfs/dbraw/zinc/24/45/02/1040244502.db2.gz NKBBZCAZXNORLC-UHFFFAOYSA-N 1 0 327.497 4.397 20 30 EIEDRO N#CCSCCC[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000551426810 1040286858 /nfs/dbraw/zinc/28/68/58/1040286858.db2.gz GEURWRKPEQMKOZ-UHFFFAOYSA-N 1 0 342.533 4.364 20 30 EIEDRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000609077936 1040302090 /nfs/dbraw/zinc/30/20/90/1040302090.db2.gz LUSUOINVXQVFKH-UHFFFAOYSA-N 1 0 349.906 4.391 20 30 EIEDRO CC[C@@H](C[N@H+](CC)Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000482516899 1040312577 /nfs/dbraw/zinc/31/25/77/1040312577.db2.gz ZQHXGNQTFQZMRN-SFHVURJKSA-N 1 0 332.451 4.222 20 30 EIEDRO C=CCCOCC[NH2+][C@@H](c1ccc(Br)cc1F)C1CC1 ZINC000479396952 1040314580 /nfs/dbraw/zinc/31/45/80/1040314580.db2.gz WGGWAGZWXKQOSP-MRXNPFEDSA-N 1 0 342.252 4.222 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000425363895 1040334564 /nfs/dbraw/zinc/33/45/64/1040334564.db2.gz DGSULNHLYMCPOK-AWEZNQCLSA-N 1 0 330.378 4.395 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000425365272 1040338857 /nfs/dbraw/zinc/33/88/57/1040338857.db2.gz JSGQDYQPCUEDCT-QGZVFWFLSA-N 1 0 333.435 4.434 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000174644014 1040369637 /nfs/dbraw/zinc/36/96/37/1040369637.db2.gz XCPUNWZCYYEXIQ-GJZGRUSLSA-N 1 0 344.842 4.188 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000425375040 1040372028 /nfs/dbraw/zinc/37/20/28/1040372028.db2.gz RTKNBGVFKCSDML-HXUWFJFHSA-N 1 0 327.468 4.033 20 30 EIEDRO CC(C)c1ccc(C[C@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000551554353 1040403570 /nfs/dbraw/zinc/40/35/70/1040403570.db2.gz HVIKPGUWRGHFJP-INIZCTEOSA-N 1 0 332.451 4.050 20 30 EIEDRO CC#CCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000462315754 1040474734 /nfs/dbraw/zinc/47/47/34/1040474734.db2.gz QUSJFZNCZPLTQW-HXUWFJFHSA-N 1 0 341.476 4.126 20 30 EIEDRO CC[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000479563406 1040476992 /nfs/dbraw/zinc/47/69/92/1040476992.db2.gz BQIXCOKAJAAKKI-KRWDZBQOSA-N 1 0 330.435 4.327 20 30 EIEDRO C[C@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(F)(F)F ZINC000479588391 1040496426 /nfs/dbraw/zinc/49/64/26/1040496426.db2.gz FQIHTXSRIUNQRE-CQSZACIVSA-N 1 0 348.368 4.425 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000669829116 1040511349 /nfs/dbraw/zinc/51/13/49/1040511349.db2.gz ZZXMBNYOHIRNRX-UONOGXRCSA-N 1 0 334.510 4.064 20 30 EIEDRO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000551702237 1040514739 /nfs/dbraw/zinc/51/47/39/1040514739.db2.gz CZFHFSNVFCYROF-KRWDZBQOSA-N 1 0 330.435 4.081 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000435663018 1040515292 /nfs/dbraw/zinc/51/52/92/1040515292.db2.gz GVMMJSNWZXCDDG-JJXUHFIVSA-N 1 0 325.452 4.480 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000435663021 1040516568 /nfs/dbraw/zinc/51/65/68/1040516568.db2.gz GVMMJSNWZXCDDG-ZRCAFCQKSA-N 1 0 325.452 4.480 20 30 EIEDRO C=CCc1cc(C[NH2+]CCc2ccc(SC)cc2)cc(OC)c1O ZINC000435730596 1040565142 /nfs/dbraw/zinc/56/51/42/1040565142.db2.gz GAGQPHBKZZSPED-UHFFFAOYSA-N 1 0 343.492 4.184 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC(C)C)c(OCC)c1 ZINC000435736611 1040591688 /nfs/dbraw/zinc/59/16/88/1040591688.db2.gz YMDOUPDKDCDGPI-WIYYLYMNSA-N 1 0 347.499 4.191 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000435745496 1040599003 /nfs/dbraw/zinc/59/90/03/1040599003.db2.gz NHESQYAMOGTVCM-DOMZBBRYSA-N 1 0 344.680 4.173 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000435746190 1040599782 /nfs/dbraw/zinc/59/97/82/1040599782.db2.gz UOKJXELPXQDCRH-WIYYLYMNSA-N 1 0 338.451 4.253 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000435746189 1040599825 /nfs/dbraw/zinc/59/98/25/1040599825.db2.gz UOKJXELPXQDCRH-RXVVDRJESA-N 1 0 338.451 4.253 20 30 EIEDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)Nc1ccccc1 ZINC000539607523 1040605618 /nfs/dbraw/zinc/60/56/18/1040605618.db2.gz LFNZCMVHJGUFLY-YWZLYKJASA-N 1 0 325.431 4.485 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccsc1 ZINC000539610127 1040610667 /nfs/dbraw/zinc/61/06/67/1040610667.db2.gz QOKPKJRUGADJEE-LIRRHRJNSA-N 1 0 345.487 4.493 20 30 EIEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000477604714 1040641626 /nfs/dbraw/zinc/64/16/26/1040641626.db2.gz ICMPVWPLJBBEGE-INIZCTEOSA-N 1 0 349.478 4.008 20 30 EIEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)CC12CCCCC2 ZINC000462479549 1040657158 /nfs/dbraw/zinc/65/71/58/1040657158.db2.gz YAVFHXYLNZOYEH-KRWDZBQOSA-N 1 0 339.483 4.179 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CCCc2nc(C)no2)C(C)(C)C)cc1 ZINC000477633787 1040676922 /nfs/dbraw/zinc/67/69/22/1040676922.db2.gz RSMLFCRBVDTXAM-UHFFFAOYSA-N 1 0 343.471 4.176 20 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/nfs/dbraw/zinc/80/09/06/1040800906.db2.gz IBVSEVPKTYFVJN-SCLBCKFNSA-N 1 0 347.384 4.499 20 30 EIEDRO COCc1csc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000595076755 1040856818 /nfs/dbraw/zinc/85/68/18/1040856818.db2.gz JGZSITLBAGBEGG-IBGZPJMESA-N 1 0 326.465 4.323 20 30 EIEDRO C=CCN(CC=C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000539875787 1040858540 /nfs/dbraw/zinc/85/85/40/1040858540.db2.gz VMLZNMGDLSXYFA-UHFFFAOYSA-N 1 0 341.499 4.167 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCCC3)cc1OC ZINC000462754681 1040890438 /nfs/dbraw/zinc/89/04/38/1040890438.db2.gz JNYIHYTYKWJJAR-WOJBJXKFSA-N 1 0 345.483 4.087 20 30 EIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000537957956 1040928663 /nfs/dbraw/zinc/92/86/63/1040928663.db2.gz ALVHRRFJWUEZNU-HUUCEWRRSA-N 1 0 329.513 4.455 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+]CCSCc1ccccc1C#N)CC2 ZINC000537973538 1040977828 /nfs/dbraw/zinc/97/78/28/1040977828.db2.gz OTQAZBANZIETEW-HXUWFJFHSA-N 1 0 338.476 4.077 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@](O)(CC)CCC(F)(F)F)c1cccc(C#N)c1 ZINC000903255934 1040992227 /nfs/dbraw/zinc/99/22/27/1040992227.db2.gz DQIHVZXSEAIBJY-HZPDHXFCSA-N 1 0 328.378 4.083 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCSc2ccc(OC)cc21 ZINC000436283056 1041027201 /nfs/dbraw/zinc/02/72/01/1041027201.db2.gz IZKVLAORTMRMGY-BJZITVGISA-N 1 0 333.497 4.193 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1cccc(Br)c1 ZINC000436285522 1041034350 /nfs/dbraw/zinc/03/43/50/1041034350.db2.gz QDHPAUCPTFEGSR-OIISXLGYSA-N 1 0 338.289 4.471 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1ccccc1Br ZINC000436287577 1041036959 /nfs/dbraw/zinc/03/69/59/1041036959.db2.gz CLXVIUUVVITBLV-COXVUDFISA-N 1 0 338.289 4.471 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccccc1Br ZINC000436287736 1041037029 /nfs/dbraw/zinc/03/70/29/1041037029.db2.gz CLXVIUUVVITBLV-XKQJLSEDSA-N 1 0 338.289 4.471 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)s1 ZINC000462879693 1041061271 /nfs/dbraw/zinc/06/12/71/1041061271.db2.gz ZFIAVCRWVWMJGY-MQMHXKEQSA-N 1 0 347.281 4.418 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000436306160 1041073782 /nfs/dbraw/zinc/07/37/82/1041073782.db2.gz JOJDNQXECJNLFI-VCBZYWHSSA-N 1 0 329.440 4.382 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000436306406 1041074225 /nfs/dbraw/zinc/07/42/25/1041074225.db2.gz IBIJQGFWTGCZOB-FFSVYQOJSA-N 1 0 342.252 4.220 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000467579491 1041085521 /nfs/dbraw/zinc/08/55/21/1041085521.db2.gz SVYGNVTYHJFENB-UTKZUKDTSA-N 1 0 328.500 4.137 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000436309367 1041094285 /nfs/dbraw/zinc/09/42/85/1041094285.db2.gz ORMPERBDGWBNBD-FKPGQJDZSA-N 1 0 347.474 4.431 20 30 EIEDRO N#Cc1cccc(Cl)c1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000462926562 1041106710 /nfs/dbraw/zinc/10/67/10/1041106710.db2.gz RHFCSOARLUWPMC-UHFFFAOYSA-N 1 0 325.843 4.072 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000538187536 1041146972 /nfs/dbraw/zinc/14/69/72/1041146972.db2.gz HJGAJGOXSKTFAP-UYAOXDASSA-N 1 0 325.839 4.059 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000538198278 1041166839 /nfs/dbraw/zinc/16/68/39/1041166839.db2.gz PVYCIFLCTYRESQ-CZUORRHYSA-N 1 0 346.471 4.101 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000540151760 1041198456 /nfs/dbraw/zinc/19/84/56/1041198456.db2.gz UFAITNYAHVPBKI-ZULIPRJHSA-N 1 0 326.488 4.145 20 30 EIEDRO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000425538134 1041201779 /nfs/dbraw/zinc/20/17/79/1041201779.db2.gz ROHCUKVNWHCQNS-ZDUSSCGKSA-N 1 0 342.826 4.191 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000540172452 1041215910 /nfs/dbraw/zinc/21/59/10/1041215910.db2.gz GJZRNUBAOFZBPK-LJQANCHMSA-N 1 0 326.440 4.208 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000484350396 1041221018 /nfs/dbraw/zinc/22/10/18/1041221018.db2.gz LUEIVMMYWZBHSV-CABCVRRESA-N 1 0 347.418 4.291 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000538289098 1041225355 /nfs/dbraw/zinc/22/53/55/1041225355.db2.gz CPPSLXKJZVOHBI-BQFCYCMXSA-N 1 0 349.544 4.175 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC[C@H]2CCCC[C@@H]2O)CC1 ZINC000540163615 1041227245 /nfs/dbraw/zinc/22/72/45/1041227245.db2.gz OJFDCVOMQHSOJD-DWOCFRCJSA-N 1 0 340.511 4.311 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCOCC)cc1 ZINC000783409397 1041284402 /nfs/dbraw/zinc/28/44/02/1041284402.db2.gz RVMIFAVXQVHLCW-UHFFFAOYSA-N 1 0 338.451 4.343 20 30 EIEDRO C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(C#N)c(F)c1 ZINC000538507026 1041393831 /nfs/dbraw/zinc/39/38/31/1041393831.db2.gz XGKCTJKXUJZROO-VIFPVBQESA-N 1 0 343.349 4.066 20 30 EIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)Oc1cccc(F)c1 ZINC000538509772 1041397652 /nfs/dbraw/zinc/39/76/52/1041397652.db2.gz QNOAFSUENVVZJA-SUMWQHHRSA-N 1 0 330.378 4.345 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)ccc1OC ZINC000538530696 1041407187 /nfs/dbraw/zinc/40/71/87/1041407187.db2.gz DDYFGTXOXZPKBB-MOPGFXCFSA-N 1 0 347.499 4.333 20 30 EIEDRO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)ccc1C#N ZINC000463209495 1041422492 /nfs/dbraw/zinc/42/24/92/1041422492.db2.gz JOCNQOBLXKHKMW-QAJUQPOASA-N 1 0 326.484 4.018 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)ccc1OC ZINC000538567439 1041424377 /nfs/dbraw/zinc/42/43/77/1041424377.db2.gz AIJVMCQZBCUWNI-LJQANCHMSA-N 1 0 345.483 4.041 20 30 EIEDRO CC(C)C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000544449125 1041437615 /nfs/dbraw/zinc/43/76/15/1041437615.db2.gz MGLRAPBKPURHOM-KRWDZBQOSA-N 1 0 341.480 4.325 20 30 EIEDRO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000554844462 1041442080 /nfs/dbraw/zinc/44/20/80/1041442080.db2.gz XKHLJTLAFYPIHM-JKSUJKDBSA-N 1 0 335.451 4.361 20 30 EIEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1Br ZINC000463237537 1041445089 /nfs/dbraw/zinc/44/50/89/1041445089.db2.gz WGLOSTDJRRJDPK-UONOGXRCSA-N 1 0 335.289 4.399 20 30 EIEDRO CCC(CC)(C[NH2+]Cc1ccc(C#N)o1)c1ccc(OC)c(OC)c1 ZINC000461436046 1041450595 /nfs/dbraw/zinc/45/05/95/1041450595.db2.gz MURJBNPHFXXBFS-UHFFFAOYSA-N 1 0 342.439 4.016 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1 ZINC000540434983 1041465050 /nfs/dbraw/zinc/46/50/50/1041465050.db2.gz AXFBFEBWRAHHPA-INIZCTEOSA-N 1 0 335.838 4.228 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)s1 ZINC000540466766 1041474291 /nfs/dbraw/zinc/47/42/91/1041474291.db2.gz HGZGMDPXLTYTBG-NSHDSACASA-N 1 0 347.871 4.179 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)s1 ZINC000540466764 1041474545 /nfs/dbraw/zinc/47/45/45/1041474545.db2.gz HGZGMDPXLTYTBG-LLVKDONJSA-N 1 0 347.871 4.179 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Br)s1 ZINC000443336918 1041479158 /nfs/dbraw/zinc/47/91/58/1041479158.db2.gz ZELHBYBSLSAEHH-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000540457685 1041479422 /nfs/dbraw/zinc/47/94/22/1041479422.db2.gz HNSVGNWRRXEHHD-JXFKEZNVSA-N 1 0 340.442 4.300 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1Cl ZINC000463295802 1041482109 /nfs/dbraw/zinc/48/21/09/1041482109.db2.gz PLVOSPFIHCNVIE-JTDSTZFVSA-N 1 0 333.907 4.395 20 30 EIEDRO CCN(Cc1cccs1)Cc1ccc(C#N)cc1Br ZINC000480717322 1041494531 /nfs/dbraw/zinc/49/45/31/1041494531.db2.gz MVMBCUCJLGCIOD-UHFFFAOYSA-N 1 0 335.270 4.404 20 30 EIEDRO CC(C)([NH3+])c1ccc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1 ZINC000904585778 1041534154 /nfs/dbraw/zinc/53/41/54/1041534154.db2.gz SFVUOASWROLTFC-SFHVURJKSA-N 1 0 336.439 4.047 20 30 EIEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463453170 1041573789 /nfs/dbraw/zinc/57/37/89/1041573789.db2.gz DWCORYDAIREETC-CABCVRRESA-N 1 0 326.362 4.120 20 30 EIEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000783411464 1041585962 /nfs/dbraw/zinc/58/59/62/1041585962.db2.gz UVCFDZPKZXRWEI-FHERZECASA-N 1 0 347.421 4.022 20 30 EIEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000783411466 1041586838 /nfs/dbraw/zinc/58/68/38/1041586838.db2.gz UVCFDZPKZXRWEI-QQFBHYJXSA-N 1 0 347.421 4.022 20 30 EIEDRO N#Cc1ccc(N2CCC([NH+]3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000437001320 1041593874 /nfs/dbraw/zinc/59/38/74/1041593874.db2.gz DCFHNYGKOGWBSU-UHFFFAOYSA-N 1 0 337.389 4.032 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000540701130 1041604243 /nfs/dbraw/zinc/60/42/43/1041604243.db2.gz AKTGISKDNRHFIM-ZDUSSCGKSA-N 1 0 332.419 4.420 20 30 EIEDRO CC(C)N(C)c1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000437087202 1041647692 /nfs/dbraw/zinc/64/76/92/1041647692.db2.gz NACKTOCFJINIPO-OAHLLOKOSA-N 1 0 325.431 4.393 20 30 EIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000463570849 1041650521 /nfs/dbraw/zinc/65/05/21/1041650521.db2.gz XWEIAXYFEJVQBD-KSSFIOAISA-N 1 0 338.426 4.477 20 30 EIEDRO Cc1cccc2c1CC[C@@H]2[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437109833 1041653319 /nfs/dbraw/zinc/65/33/19/1041653319.db2.gz JUPVUVNSUMPNFL-NGICGMGXSA-N 1 0 347.462 4.229 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000506022032 1041747040 /nfs/dbraw/zinc/74/70/40/1041747040.db2.gz OOGFTJWLIGKQGJ-IBGZPJMESA-N 1 0 343.492 4.494 20 30 EIEDRO N#CCC1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000541025180 1041779703 /nfs/dbraw/zinc/77/97/03/1041779703.db2.gz UUTMWKAXQLDYGV-UHFFFAOYSA-N 1 0 330.435 4.127 20 30 EIEDRO N#CCC1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000541019748 1041783700 /nfs/dbraw/zinc/78/37/00/1041783700.db2.gz JVLFGTHRZJHABY-QGZVFWFLSA-N 1 0 333.273 4.452 20 30 EIEDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437430713 1041799324 /nfs/dbraw/zinc/79/93/24/1041799324.db2.gz XRQANVVRMNQMDX-UHFFFAOYSA-N 1 0 346.377 4.190 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c(OC(F)F)c1 ZINC000437495982 1041822039 /nfs/dbraw/zinc/82/20/39/1041822039.db2.gz LGWJDWAZZJOQND-HOCLYGCPSA-N 1 0 338.423 4.020 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000090106801 1041833781 /nfs/dbraw/zinc/83/37/81/1041833781.db2.gz PCZWKLAFHMXUFP-KRWDZBQOSA-N 1 0 343.430 4.350 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)o1 ZINC000464074385 1041854846 /nfs/dbraw/zinc/85/48/46/1041854846.db2.gz APEIRACJRMTAEV-UHFFFAOYSA-N 1 0 330.431 4.342 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc2c(c1)OCCO2 ZINC000541323137 1041891953 /nfs/dbraw/zinc/89/19/53/1041891953.db2.gz FJIQXDZOONPJSI-OAQYLSRUSA-N 1 0 336.435 4.011 20 30 EIEDRO CC(C)C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccs1 ZINC000541629347 1042044529 /nfs/dbraw/zinc/04/45/29/1042044529.db2.gz WOLIVPBBRZTFBX-INIZCTEOSA-N 1 0 347.528 4.110 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000464655557 1042108492 /nfs/dbraw/zinc/10/84/92/1042108492.db2.gz IEGHABYLKGLDBC-NLWGTHIKSA-N 1 0 328.500 4.273 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000464658535 1042110791 /nfs/dbraw/zinc/11/07/91/1042110791.db2.gz VXEFQKBOYUMTIN-ROUUACIJSA-N 1 0 328.500 4.280 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(C#N)cc1 ZINC000541847603 1042137233 /nfs/dbraw/zinc/13/72/33/1042137233.db2.gz FAMDRCIQHGOJGX-XJKSGUPXSA-N 1 0 343.833 4.280 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)ccc1F ZINC000595878186 1042166914 /nfs/dbraw/zinc/16/69/14/1042166914.db2.gz LTQNUPRHCCMTFF-UHFFFAOYSA-N 1 0 334.394 4.138 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000541904624 1042171127 /nfs/dbraw/zinc/17/11/27/1042171127.db2.gz DPDDJKJCVVJOEF-ORAYPTAESA-N 1 0 345.849 4.304 20 30 EIEDRO N#CCC1CC[NH+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000541921659 1042173548 /nfs/dbraw/zinc/17/35/48/1042173548.db2.gz QCQDAKYZUXJBSE-GOSISDBHSA-N 1 0 348.874 4.023 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464838462 1042183377 /nfs/dbraw/zinc/18/33/77/1042183377.db2.gz ZVOMXVISLVJYBK-OALUTQOASA-N 1 0 333.479 4.216 20 30 EIEDRO CC[C@@H](C[NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1 ZINC000438471796 1042189497 /nfs/dbraw/zinc/18/94/97/1042189497.db2.gz UZZXYGAGADPTEV-RPCJCACASA-N 1 0 349.478 4.427 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](CC(F)(F)F)C(C)C)cc(OC)c1O ZINC000438467711 1042198229 /nfs/dbraw/zinc/19/82/29/1042198229.db2.gz UTDTWZBIEHHXOK-CQSZACIVSA-N 1 0 331.378 4.196 20 30 EIEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(Cl)c1 ZINC000383067552 1042214793 /nfs/dbraw/zinc/21/47/93/1042214793.db2.gz HBNXHCWZURDTKO-QGZVFWFLSA-N 1 0 339.870 4.170 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443656034 1042224719 /nfs/dbraw/zinc/22/47/19/1042224719.db2.gz QRQSTBMXBUYMSU-WMLDXEAASA-N 1 0 326.827 4.426 20 30 EIEDRO C=CCCOCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426058602 1042237643 /nfs/dbraw/zinc/23/76/43/1042237643.db2.gz MHZUDRVUMUVXQD-LJQANCHMSA-N 1 0 330.859 4.201 20 30 EIEDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542107054 1042288203 /nfs/dbraw/zinc/28/82/03/1042288203.db2.gz ZQJNJJSQFJGARU-DGGJZMOXSA-N 1 0 345.490 4.359 20 30 EIEDRO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)cc(OC)c1O ZINC000506326760 1042310903 /nfs/dbraw/zinc/31/09/03/1042310903.db2.gz MWYUBUWLQSAHRU-HNNXBMFYSA-N 1 0 341.451 4.331 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000438734039 1042322270 /nfs/dbraw/zinc/32/22/70/1042322270.db2.gz QMNBJRXFFZDUBK-OAQYLSRUSA-N 1 0 345.446 4.039 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1OC ZINC000506339098 1042332698 /nfs/dbraw/zinc/33/26/98/1042332698.db2.gz FXZSCASPZUGYQQ-INIZCTEOSA-N 1 0 341.451 4.462 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1Cl ZINC000438833224 1042375753 /nfs/dbraw/zinc/37/57/53/1042375753.db2.gz GZOLNOQQZIJWFV-UHFFFAOYSA-N 1 0 341.842 4.062 20 30 EIEDRO Cc1ccc(-c2noc(CN(Cc3ccc(C#N)cc3)C3CC3)n2)cc1 ZINC000542317176 1042382207 /nfs/dbraw/zinc/38/22/07/1042382207.db2.gz BXABTIZQTPIMME-UHFFFAOYSA-N 1 0 344.418 4.081 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)N(Cc2cccs2)C(C)(C)CCC)CC1 ZINC000491413905 1042448230 /nfs/dbraw/zinc/44/82/30/1042448230.db2.gz AAUQRYBYGXVVSF-UHFFFAOYSA-N 1 0 346.540 4.001 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1ccc(OC)cc1)N1CCCC1)C1CC1 ZINC000439092116 1042495968 /nfs/dbraw/zinc/49/59/68/1042495968.db2.gz OANPZEDTCMPQDS-NHCUHLMSSA-N 1 0 328.500 4.167 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1ccc(OC)cc1)N1CCCC1)C1CC1 ZINC000439092118 1042496385 /nfs/dbraw/zinc/49/63/85/1042496385.db2.gz OANPZEDTCMPQDS-SFTDATJTSA-N 1 0 328.500 4.167 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000271906963 1042498541 /nfs/dbraw/zinc/49/85/41/1042498541.db2.gz CKNAKYIPJPOKNG-MRXNPFEDSA-N 1 0 337.442 4.013 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000151835920 1042511549 /nfs/dbraw/zinc/51/15/49/1042511549.db2.gz WXJDMZJTWUHZLM-GOSISDBHSA-N 1 0 345.446 4.125 20 30 EIEDRO CCCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271915110 1042519528 /nfs/dbraw/zinc/51/95/28/1042519528.db2.gz GGNLFMIYDGTGKB-HNNXBMFYSA-N 1 0 326.415 4.475 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2ccc(Cl)nc2)ccc1OC ZINC000151899796 1042531082 /nfs/dbraw/zinc/53/10/82/1042531082.db2.gz FVWYWIVVOSPAQM-UHFFFAOYSA-N 1 0 346.858 4.031 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000271937407 1042534414 /nfs/dbraw/zinc/53/44/14/1042534414.db2.gz NLNKXQWTDCGRON-AWEZNQCLSA-N 1 0 342.414 4.346 20 30 EIEDRO N#Cc1csc(C[NH2+]C2(Cc3ccccc3Br)CC2)c1 ZINC000492025780 1042536791 /nfs/dbraw/zinc/53/67/91/1042536791.db2.gz WDYJLDALFCOXHP-UHFFFAOYSA-N 1 0 347.281 4.247 20 30 EIEDRO N#Cc1cc(N2CCC(CCC[NH+]3CCCC3)CC2)nc2ccccc12 ZINC000443874890 1042550296 /nfs/dbraw/zinc/55/02/96/1042550296.db2.gz CVMWUBYPSOTIHN-UHFFFAOYSA-N 1 0 348.494 4.199 20 30 EIEDRO C=CC[NH+]1CCC(Nc2nc(C)nc3scc(CC(C)C)c32)CC1 ZINC000518518352 1042553234 /nfs/dbraw/zinc/55/32/34/1042553234.db2.gz UIWFNBHMRKZPBT-UHFFFAOYSA-N 1 0 344.528 4.261 20 30 EIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271967852 1042591818 /nfs/dbraw/zinc/59/18/18/1042591818.db2.gz VYTGKGLCDKCITM-CHWSQXEVSA-N 1 0 325.387 4.068 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000271975873 1042601577 /nfs/dbraw/zinc/60/15/77/1042601577.db2.gz XYCRFIGRCGSVLI-SCLBCKFNSA-N 1 0 340.398 4.270 20 30 EIEDRO C=CCc1cc(C[N@H+](C)Cc2cccc3[nH]ccc32)cc(OC)c1O ZINC000426378205 1042620488 /nfs/dbraw/zinc/62/04/88/1042620488.db2.gz PJKGTJVUNXBEQN-UHFFFAOYSA-N 1 0 336.435 4.243 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000439440293 1042626036 /nfs/dbraw/zinc/62/60/36/1042626036.db2.gz NRHSWUHUFHVEFM-SFHVURJKSA-N 1 0 325.843 4.288 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c(Cl)c1 ZINC000439443846 1042626582 /nfs/dbraw/zinc/62/65/82/1042626582.db2.gz ARZDVZXXOFPZPT-IEBWSBKVSA-N 1 0 326.827 4.079 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c(Cl)c1 ZINC000439444002 1042628996 /nfs/dbraw/zinc/62/89/96/1042628996.db2.gz OCWRLBNVMBRGGJ-OXJNMPFZSA-N 1 0 340.854 4.469 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(-n2cccn2)c1 ZINC000439457359 1042629049 /nfs/dbraw/zinc/62/90/49/1042629049.db2.gz QFTSSHGATGAAGQ-CQSZACIVSA-N 1 0 336.826 4.248 20 30 EIEDRO COCc1ccc([C@@H]2CCCN2Cc2ccc(C#N)cc2Cl)o1 ZINC000439449442 1042635722 /nfs/dbraw/zinc/63/57/22/1042635722.db2.gz IQUOLFIHPNCMKY-KRWDZBQOSA-N 1 0 330.815 4.288 20 30 EIEDRO CCc1oc(C(=O)OC)cc1C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000426398483 1042657309 /nfs/dbraw/zinc/65/73/09/1042657309.db2.gz WWPFMFVFNXGIKO-CQSZACIVSA-N 1 0 340.423 4.083 20 30 EIEDRO C=CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000030787938 1042701146 /nfs/dbraw/zinc/70/11/46/1042701146.db2.gz YJVGWCBHXKCDTJ-UHFFFAOYSA-N 1 0 336.435 4.100 20 30 EIEDRO Cc1ccc(-c2nc(CC[NH2+]Cc3ccc(C#N)c(C)c3)co2)cc1 ZINC000443968978 1042704749 /nfs/dbraw/zinc/70/47/49/1042704749.db2.gz QSPYHKFXMAGUTK-UHFFFAOYSA-N 1 0 331.419 4.162 20 30 EIEDRO CCOC1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000193045042 1042705349 /nfs/dbraw/zinc/70/53/49/1042705349.db2.gz JQIHNGSDSBUCQG-UHFFFAOYSA-N 1 0 348.490 4.387 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000439603901 1042706548 /nfs/dbraw/zinc/70/65/48/1042706548.db2.gz YOVSIUKDPJLCLF-HOTGVXAUSA-N 1 0 334.529 4.210 20 30 EIEDRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2ccccc2OC)cc1 ZINC000518890393 1042739270 /nfs/dbraw/zinc/73/92/70/1042739270.db2.gz WYFBFTXDXWHCMH-XPIZARPCSA-N 1 0 336.435 4.075 20 30 EIEDRO Cc1cc(CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000443995723 1042745934 /nfs/dbraw/zinc/74/59/34/1042745934.db2.gz HUAHZDLJGNPKTC-QZTJIDSGSA-N 1 0 349.478 4.088 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000506686442 1042781685 /nfs/dbraw/zinc/78/16/85/1042781685.db2.gz FQFMKQUCVZLNDE-UHFFFAOYSA-N 1 0 335.447 4.346 20 30 EIEDRO C=CCc1cc(C[NH2+]CCc2ccc(Cl)cc2)cc(OC)c1O ZINC000076274943 1042817033 /nfs/dbraw/zinc/81/70/33/1042817033.db2.gz QBLUOAYEWVDOKL-UHFFFAOYSA-N 1 0 331.843 4.115 20 30 EIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000536425113 1042851631 /nfs/dbraw/zinc/85/16/31/1042851631.db2.gz AFNDMDOKRHFNTI-HNNXBMFYSA-N 1 0 326.415 4.017 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)c1 ZINC000473991379 1042852750 /nfs/dbraw/zinc/85/27/50/1042852750.db2.gz BDUVHLPGOYHTFD-INIZCTEOSA-N 1 0 346.261 4.234 20 30 EIEDRO CC(C)C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000441541557 1042880043 /nfs/dbraw/zinc/88/00/43/1042880043.db2.gz DPNLHZNQKYNWSB-UHFFFAOYSA-N 1 0 346.434 4.266 20 30 EIEDRO C[C@H]1CC([NH2+]Cc2ccc(C#N)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168005231 1042963702 /nfs/dbraw/zinc/96/37/02/1042963702.db2.gz IBGWXYNNPDDKTQ-ROUUACIJSA-N 1 0 333.479 4.089 20 30 EIEDRO Cc1cc(Br)cc2c1[C@@H]([NH2+]Cc1cccc(C#N)c1)CC2 ZINC000493843199 1042964750 /nfs/dbraw/zinc/96/47/50/1042964750.db2.gz KKFLRXXTLKTOKE-KRWDZBQOSA-N 1 0 341.252 4.406 20 30 EIEDRO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]CC#Cc2ccccc2Cl)cc1F ZINC000493917888 1042977454 /nfs/dbraw/zinc/97/74/54/1042977454.db2.gz VSSQITMYVWEZOX-MOPGFXCFSA-N 1 0 347.792 4.090 20 30 EIEDRO C=CCN(CC(F)(F)F)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000195315191 1043034724 /nfs/dbraw/zinc/03/47/24/1043034724.db2.gz SNWRMSPOVVHVFH-UHFFFAOYSA-N 1 0 342.405 4.107 20 30 EIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000076388375 1043090239 /nfs/dbraw/zinc/09/02/39/1043090239.db2.gz SDKGAADSTLATAE-MJGOQNOKSA-N 1 0 347.462 4.073 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)c(O)c(OC)c1 ZINC000186863769 1043093192 /nfs/dbraw/zinc/09/31/92/1043093192.db2.gz BEGRQXLGPAGWOT-QGZVFWFLSA-N 1 0 344.480 4.231 20 30 EIEDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000184453224 1043097660 /nfs/dbraw/zinc/09/76/60/1043097660.db2.gz JZXGCKQPJYAPKX-QGZVFWFLSA-N 1 0 342.483 4.041 20 30 EIEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000112699435 1043138551 /nfs/dbraw/zinc/13/85/51/1043138551.db2.gz IWKQBWVSPNMXAQ-OAQYLSRUSA-N 1 0 335.451 4.216 20 30 EIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(F)cc1C#N ZINC000507897326 1043180831 /nfs/dbraw/zinc/18/08/31/1043180831.db2.gz RWVWBOFDCVKNAR-GOSISDBHSA-N 1 0 347.821 4.083 20 30 EIEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C1(c2ccccc2)CCCC1 ZINC000556603331 1043183544 /nfs/dbraw/zinc/18/35/44/1043183544.db2.gz HXFGFTRZGJSHTM-QGZVFWFLSA-N 1 0 344.462 4.196 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000185804381 1043221165 /nfs/dbraw/zinc/22/11/65/1043221165.db2.gz XXQWFAGTCPCVNP-ZWKOTPCHSA-N 1 0 330.435 4.197 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3ccccc3Br)CC2)C1 ZINC000185843398 1043224962 /nfs/dbraw/zinc/22/49/62/1043224962.db2.gz QKWCVIPTEFHTRC-KGLIPLIRSA-N 1 0 333.273 4.153 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000282487647 1043243163 /nfs/dbraw/zinc/24/31/63/1043243163.db2.gz XHNIIMCAOKPEFY-HTPOPCQBSA-N 1 0 341.455 4.226 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2nncc3ccccc32)CC1 ZINC000733901936 1043261419 /nfs/dbraw/zinc/26/14/19/1043261419.db2.gz JANDXURLSIRULB-BEFAXECRSA-N 1 0 337.471 4.072 20 30 EIEDRO N#Cc1cc(C[NH2+]CC2(CCOCc3ccccc3)CC2)cs1 ZINC000922007032 1043298599 /nfs/dbraw/zinc/29/85/99/1043298599.db2.gz QAMKIJRJRBYEON-UHFFFAOYSA-N 1 0 326.465 4.096 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187372397 1043344510 /nfs/dbraw/zinc/34/45/10/1043344510.db2.gz OKYZXDPIWBPNKJ-LJQANCHMSA-N 1 0 330.378 4.330 20 30 EIEDRO CC1(c2ccccc2)CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000282106673 1043353475 /nfs/dbraw/zinc/35/34/75/1043353475.db2.gz WNBQDVBOJBDXTF-UHFFFAOYSA-N 1 0 326.484 4.141 20 30 EIEDRO N#CC1(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CCOCC1 ZINC000499600900 1043390936 /nfs/dbraw/zinc/39/09/36/1043390936.db2.gz QTJYMFCMTMSBCZ-GOSISDBHSA-N 1 0 332.875 4.481 20 30 EIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1C(F)(F)F ZINC000499604327 1043403039 /nfs/dbraw/zinc/40/30/39/1043403039.db2.gz CXXCRNFJPOCBBU-AWEZNQCLSA-N 1 0 340.389 4.457 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000441906208 1043418462 /nfs/dbraw/zinc/41/84/62/1043418462.db2.gz SQFZUFZCCHHDKJ-UHFFFAOYSA-N 1 0 346.272 4.304 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)ccc1OC ZINC000520906143 1043432448 /nfs/dbraw/zinc/43/24/48/1043432448.db2.gz HSPSZLBYRZRPMH-AWEZNQCLSA-N 1 0 325.399 4.127 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(N(CCC)CCC)cc2)CC1 ZINC000730017952 1043434878 /nfs/dbraw/zinc/43/48/78/1043434878.db2.gz TZDXWYCTTLDGNO-UHFFFAOYSA-N 1 0 343.559 4.443 20 30 EIEDRO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@H]1c1ccccc1 ZINC000366893330 1043441310 /nfs/dbraw/zinc/44/13/10/1043441310.db2.gz GSNOGMWLFCMMCR-AZUAARDMSA-N 1 0 326.484 4.213 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CSc3ccc(Br)cc32)C1 ZINC000494445862 1043487971 /nfs/dbraw/zinc/48/79/71/1043487971.db2.gz SLXAPYXLICLCBC-OSMZGAPFSA-N 1 0 337.286 4.268 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000494488554 1043514714 /nfs/dbraw/zinc/51/47/14/1043514714.db2.gz TYNPSPGGWFVBLF-OALUTQOASA-N 1 0 326.827 4.026 20 30 EIEDRO Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CC#Cc2ccccc2Cl)cc1 ZINC000494495357 1043519269 /nfs/dbraw/zinc/51/92/69/1043519269.db2.gz NQOBBZVYJPLMHM-MOPGFXCFSA-N 1 0 346.257 4.465 20 30 EIEDRO Cc1c([C@H](C)[NH2+]CC2CCC(C#N)CC2)cnn1-c1ccc(F)cc1 ZINC000282330290 1043597831 /nfs/dbraw/zinc/59/78/31/1043597831.db2.gz OBLGOUSFQGSQRJ-OOHWJJMZSA-N 1 0 340.446 4.300 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(-c3cccs3)c2)CC1 ZINC000171639480 1043640594 /nfs/dbraw/zinc/64/05/94/1043640594.db2.gz KEPJCYLYUMSYPG-UHFFFAOYSA-N 1 0 341.480 4.187 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000171740042 1043666131 /nfs/dbraw/zinc/66/61/31/1043666131.db2.gz ODMRZKSGAYIGJI-UHFFFAOYSA-N 1 0 335.451 4.126 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC#N)cc1 ZINC000731211931 1043714720 /nfs/dbraw/zinc/71/47/20/1043714720.db2.gz JOEIMYDBLQOEEC-UHFFFAOYSA-N 1 0 333.435 4.119 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000761638264 1043767677 /nfs/dbraw/zinc/76/76/77/1043767677.db2.gz UKDZFXLKOIKAJO-HSALFYBXSA-N 1 0 325.500 4.485 20 30 EIEDRO Cc1c([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cnn1C(C)C ZINC000191375256 1043812330 /nfs/dbraw/zinc/81/23/30/1043812330.db2.gz JHHXTBFMUXETNU-AWEZNQCLSA-N 1 0 349.400 4.494 20 30 EIEDRO N#Cc1ccccc1OCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731847789 1043834737 /nfs/dbraw/zinc/83/47/37/1043834737.db2.gz OJLMKXRWZNWFJW-UHFFFAOYSA-N 1 0 336.435 4.087 20 30 EIEDRO COc1ccc(Oc2ccc(CC[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)cc1 ZINC000442847673 1043857130 /nfs/dbraw/zinc/85/71/30/1043857130.db2.gz QVTKXDBYDPKCTD-MSOLQXFVSA-N 1 0 336.435 4.312 20 30 EIEDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000494622083 1043858813 /nfs/dbraw/zinc/85/88/13/1043858813.db2.gz SQXBIROJBAIBRV-HNAYVOBHSA-N 1 0 347.380 4.423 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442872655 1043872134 /nfs/dbraw/zinc/87/21/34/1043872134.db2.gz ILABUCCOXHWKBY-WWDZGPRUSA-N 1 0 341.499 4.447 20 30 EIEDRO Cc1c(Cl)cnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1C#N ZINC000543137781 1043946576 /nfs/dbraw/zinc/94/65/76/1043946576.db2.gz MEDLEDQFKLSGCN-MRXNPFEDSA-N 1 0 346.906 4.008 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc3ncccc3c2)ccc1OC ZINC000192981643 1043987783 /nfs/dbraw/zinc/98/77/83/1043987783.db2.gz KHBDFEQQNWIQKJ-UHFFFAOYSA-N 1 0 348.446 4.488 20 30 EIEDRO C[N@H+](Cc1cccc(Br)c1)Cc1ccc(F)c(C#N)c1 ZINC000229749143 1044010439 /nfs/dbraw/zinc/01/04/39/1044010439.db2.gz JKELGUUDHDBBTH-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Br)cc1 ZINC000229748761 1044036887 /nfs/dbraw/zinc/03/68/87/1044036887.db2.gz AXQPHLJYLXTICR-UHFFFAOYSA-N 1 0 347.231 4.485 20 30 EIEDRO N#CCc1ccc(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000543207032 1044128620 /nfs/dbraw/zinc/12/86/20/1044128620.db2.gz IUJMVQJHNMNYHW-QFIPXVFZSA-N 1 0 334.463 4.015 20 30 EIEDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173760922 1044128569 /nfs/dbraw/zinc/12/85/69/1044128569.db2.gz GOMSQOHXJWCHRE-KRWDZBQOSA-N 1 0 338.455 4.256 20 30 EIEDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000543206849 1044131450 /nfs/dbraw/zinc/13/14/50/1044131450.db2.gz DGLLTXWFZQXVIR-XXBNENTESA-N 1 0 347.506 4.238 20 30 EIEDRO CC(C)CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000349945972 1044172323 /nfs/dbraw/zinc/17/23/23/1044172323.db2.gz JRPZRFOJXVULHI-UHFFFAOYSA-N 1 0 336.483 4.474 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000733324171 1044185431 /nfs/dbraw/zinc/18/54/31/1044185431.db2.gz LEDLNLVBTPZLFH-CQSZACIVSA-N 1 0 349.352 4.448 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000174158264 1044227939 /nfs/dbraw/zinc/22/79/39/1044227939.db2.gz YDMMYTAQBZUBCI-CVAIRZPRSA-N 1 0 339.508 4.353 20 30 EIEDRO COc1cccc(Oc2ccc(C[NH2+]CC(C)(C)CCC#N)cn2)c1 ZINC000174277458 1044247211 /nfs/dbraw/zinc/24/72/11/1044247211.db2.gz KNFBQDLPTCAVJY-UHFFFAOYSA-N 1 0 339.439 4.302 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000174311707 1044257225 /nfs/dbraw/zinc/25/72/25/1044257225.db2.gz VDIAPPIWLDGSAB-HNNXBMFYSA-N 1 0 336.435 4.364 20 30 EIEDRO COc1ccc(Br)cc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000174430327 1044271417 /nfs/dbraw/zinc/27/14/17/1044271417.db2.gz AQKWMPMHWHUSMO-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC(F)F ZINC000174430893 1044272266 /nfs/dbraw/zinc/27/22/66/1044272266.db2.gz XLZHMGRRFWFRDC-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO Cn1cc(Br)cc1C[N@H+](C)CCCCC1(C#N)CCC1 ZINC000929832767 1044273685 /nfs/dbraw/zinc/27/36/85/1044273685.db2.gz ULABGMZBSDSARV-UHFFFAOYSA-N 1 0 338.293 4.084 20 30 EIEDRO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)Cc1cccs1 ZINC000174533911 1044288098 /nfs/dbraw/zinc/28/80/98/1044288098.db2.gz JMPWKTRTXWWDRD-INIZCTEOSA-N 1 0 328.481 4.399 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3c2nccc3Cl)c1 ZINC000925413785 1044328449 /nfs/dbraw/zinc/32/84/49/1044328449.db2.gz IXBOCCKGDXGWTR-KDOFPFPSSA-N 1 0 341.842 4.193 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000766140898 1044329569 /nfs/dbraw/zinc/32/95/69/1044329569.db2.gz LSOVSEXCWDXOPY-RUGDWHBFSA-N 1 0 335.875 4.282 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474063365 1044331639 /nfs/dbraw/zinc/33/16/39/1044331639.db2.gz ZOZDFDLQWRTINW-HXUWFJFHSA-N 1 0 328.500 4.048 20 30 EIEDRO C=C(C)CN1CCC([NH2+]C2CCC(c3ccc(OC)cc3)CC2)CC1 ZINC000544354611 1044389438 /nfs/dbraw/zinc/38/94/38/1044389438.db2.gz IBGYWAZFELUCNX-UHFFFAOYSA-N 1 0 342.527 4.352 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2ncnc3sccc32)CC1 ZINC000733907434 1044415798 /nfs/dbraw/zinc/41/57/98/1044415798.db2.gz PRUBYXBCWSRASL-CJNGLKHVSA-N 1 0 343.500 4.134 20 30 EIEDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2cccc(C#N)c2)cn1 ZINC000466423178 1044436803 /nfs/dbraw/zinc/43/68/03/1044436803.db2.gz CJBYMNJQYGFCEO-UHFFFAOYSA-N 1 0 342.446 4.053 20 30 EIEDRO C[C@H](c1cccc(Cl)c1)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757325 1044439193 /nfs/dbraw/zinc/43/91/93/1044439193.db2.gz QSJAHRFBIPPBIL-KUHUBIRLSA-N 1 0 326.827 4.346 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000466425870 1044443392 /nfs/dbraw/zinc/44/33/92/1044443392.db2.gz PYWBUMBNYFVERZ-NSHDSACASA-N 1 0 335.270 4.276 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734096763 1044472815 /nfs/dbraw/zinc/47/28/15/1044472815.db2.gz RGVXVHPGNXWPQN-FVHJOOJJSA-N 1 0 345.446 4.024 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N/C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734096238 1044474244 /nfs/dbraw/zinc/47/42/44/1044474244.db2.gz LJSKRPSMWQMAFC-AGKWGAAGSA-N 1 0 328.843 4.129 20 30 EIEDRO C=CC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000494922190 1044520102 /nfs/dbraw/zinc/52/01/02/1044520102.db2.gz OAFBYQAFHCSSCW-FCHUYYIVSA-N 1 0 348.490 4.300 20 30 EIEDRO C[NH+](C)Cc1cc(C/N=C/c2c(O)ccc3ccccc32)ccc1F ZINC000734303207 1044528102 /nfs/dbraw/zinc/52/81/02/1044528102.db2.gz HEOFNDHACNOBFC-YDZHTSKRSA-N 1 0 336.410 4.365 20 30 EIEDRO Cc1c([C@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cnn1C ZINC000494968914 1044564058 /nfs/dbraw/zinc/56/40/58/1044564058.db2.gz LSLRKOGZMMOAEM-HNNXBMFYSA-N 1 0 330.435 4.118 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cnn1C ZINC000494968920 1044565120 /nfs/dbraw/zinc/56/51/20/1044565120.db2.gz LSLRKOGZMMOAEM-OAHLLOKOSA-N 1 0 330.435 4.118 20 30 EIEDRO C=CC[C@H]([NH2+]Cc1sc2nc(C)nc(C)c2c1C)c1ccncc1 ZINC000734509666 1044592873 /nfs/dbraw/zinc/59/28/73/1044592873.db2.gz OGNIKMFDMDIRQP-INIZCTEOSA-N 1 0 338.480 4.419 20 30 EIEDRO C=CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000495049217 1044614964 /nfs/dbraw/zinc/61/49/64/1044614964.db2.gz QZBUYRIFGKSAPV-VXKWHMMOSA-N 1 0 348.490 4.127 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000495071291 1044637231 /nfs/dbraw/zinc/63/72/31/1044637231.db2.gz XLDQKPJHRQUTTC-HNAYVOBHSA-N 1 0 347.405 4.152 20 30 EIEDRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCC(C(F)(F)F)C(F)(F)F ZINC001168476650 1044644093 /nfs/dbraw/zinc/64/40/93/1044644093.db2.gz VARHVFLZFSLQAS-VIFPVBQESA-N 1 0 331.275 4.477 20 30 EIEDRO CCOc1ccc(O)c(/C=N/Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000914701321 1044677589 /nfs/dbraw/zinc/67/75/89/1044677589.db2.gz GDPMFILFXCHTHQ-PXLXIMEGSA-N 1 0 338.451 4.006 20 30 EIEDRO C=CC[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000495139934 1044713772 /nfs/dbraw/zinc/71/37/72/1044713772.db2.gz NDOSSRQKOFOATH-SFTDATJTSA-N 1 0 336.479 4.074 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccccc3Cl)CC2)nc1 ZINC000092854408 1044805033 /nfs/dbraw/zinc/80/50/33/1044805033.db2.gz CWRMERXBWIURIB-UHFFFAOYSA-N 1 0 341.842 4.086 20 30 EIEDRO N#Cc1cc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)ccc1F ZINC000474230289 1044808228 /nfs/dbraw/zinc/80/82/28/1044808228.db2.gz RYFPEBUQCLECKL-UHFFFAOYSA-N 1 0 338.426 4.005 20 30 EIEDRO N#Cc1ccc(F)c(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000474229307 1044808301 /nfs/dbraw/zinc/80/83/01/1044808301.db2.gz IEVUKYBAPVMNIP-UHFFFAOYSA-N 1 0 338.426 4.005 20 30 EIEDRO CC(C)(C[NH2+]Cc1cccc(OCCCC#N)c1)c1cccs1 ZINC000114508780 1044810292 /nfs/dbraw/zinc/81/02/92/1044810292.db2.gz WUFWTNCEVLCKPL-UHFFFAOYSA-N 1 0 328.481 4.498 20 30 EIEDRO N#Cc1csc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000093841007 1044857936 /nfs/dbraw/zinc/85/79/36/1044857936.db2.gz GNYHESXKWBRLIB-AWEZNQCLSA-N 1 0 343.521 4.335 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC000895718524 1044862353 /nfs/dbraw/zinc/86/23/53/1044862353.db2.gz XCLZINZOEWCWGO-FXAWDEMLSA-N 1 0 342.483 4.006 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC000895718529 1044862650 /nfs/dbraw/zinc/86/26/50/1044862650.db2.gz XCLZINZOEWCWGO-YLJYHZDGSA-N 1 0 342.483 4.006 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H](O)c1ccc(F)cc1 ZINC000735872359 1044871958 /nfs/dbraw/zinc/87/19/58/1044871958.db2.gz BWWKJIGHXZIRMV-HXUWFJFHSA-N 1 0 344.405 4.028 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800076 1044893524 /nfs/dbraw/zinc/89/35/24/1044893524.db2.gz AJQHUCBCONYTLU-ZHRRBRCNSA-N 1 0 346.430 4.119 20 30 EIEDRO C[C@H]1CC[C@H](C)[NH+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000466659916 1044926675 /nfs/dbraw/zinc/92/66/75/1044926675.db2.gz ZXTMDCIANWZEAQ-KBPBESRZSA-N 1 0 345.512 4.090 20 30 EIEDRO C=C(Cl)CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000736399068 1044930869 /nfs/dbraw/zinc/93/08/69/1044930869.db2.gz OQYDFZTUWJIBQU-UHFFFAOYSA-N 1 0 349.906 4.003 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1 ZINC000922776500 1044938707 /nfs/dbraw/zinc/93/87/07/1044938707.db2.gz PVKGICZKFFFZLT-GDIGMMSISA-N 1 0 342.389 4.116 20 30 EIEDRO N#Cc1c(F)cccc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000428986506 1044957100 /nfs/dbraw/zinc/95/71/00/1044957100.db2.gz ZQKYWNGZSSCPQX-OAHLLOKOSA-N 1 0 326.337 4.252 20 30 EIEDRO C[NH+](C)CC[C@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccnc1 ZINC000895893637 1044965607 /nfs/dbraw/zinc/96/56/07/1044965607.db2.gz YCYMLZNYGSKKNI-KRWDZBQOSA-N 1 0 348.372 4.077 20 30 EIEDRO CC(C)(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000391625818 1044970361 /nfs/dbraw/zinc/97/03/61/1044970361.db2.gz IFELXAWKBJQXOE-QGZVFWFLSA-N 1 0 327.472 4.035 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(CC)c(CCC)s2)CC1 ZINC000303251317 1044971452 /nfs/dbraw/zinc/97/14/52/1044971452.db2.gz FVETZTNYUGGJFR-UHFFFAOYSA-N 1 0 334.529 4.033 20 30 EIEDRO N#Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1C(F)(F)F ZINC000166784317 1044999977 /nfs/dbraw/zinc/99/99/77/1044999977.db2.gz GJERGUFULYEBIL-OAHLLOKOSA-N 1 0 337.389 4.032 20 30 EIEDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCOc2ccc(C#N)cc2)C2CC2)o1 ZINC000509058019 1045026528 /nfs/dbraw/zinc/02/65/28/1045026528.db2.gz RFLVHDAIXPNSFC-YWZLYKJASA-N 1 0 336.435 4.318 20 30 EIEDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCOc2ccc(C#N)cc2)C2CC2)o1 ZINC000509058016 1045028023 /nfs/dbraw/zinc/02/80/23/1045028023.db2.gz RFLVHDAIXPNSFC-QRWLVFNGSA-N 1 0 336.435 4.318 20 30 EIEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000303606357 1045036671 /nfs/dbraw/zinc/03/66/71/1045036671.db2.gz VVEGPNMYWHOLBJ-HXUWFJFHSA-N 1 0 344.499 4.037 20 30 EIEDRO CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](CC)c1ccccc1 ZINC000303657019 1045049111 /nfs/dbraw/zinc/04/91/11/1045049111.db2.gz VOTAIRGRXQBICO-FPOVZHCZSA-N 1 0 343.515 4.294 20 30 EIEDRO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000156990570 1045123536 /nfs/dbraw/zinc/12/35/36/1045123536.db2.gz KSSLMNHZJNIHOF-XMSQKQJNSA-N 1 0 333.479 4.043 20 30 EIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(N(C)C)c1 ZINC000671724601 1045128311 /nfs/dbraw/zinc/12/83/11/1045128311.db2.gz LHYJIDYTVNIVOG-UHFFFAOYSA-N 1 0 326.488 4.108 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000035231387 1045149459 /nfs/dbraw/zinc/14/94/59/1045149459.db2.gz BWDZVHVALXQJBH-AWEZNQCLSA-N 1 0 344.252 4.312 20 30 EIEDRO CC[C@@H]1CCCCCN1CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000739926332 1045176162 /nfs/dbraw/zinc/17/61/62/1045176162.db2.gz DEWOJOIDEKACDY-HUUCEWRRSA-N 1 0 341.480 4.127 20 30 EIEDRO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C(F)(F)F ZINC000161895631 1045179585 /nfs/dbraw/zinc/17/95/85/1045179585.db2.gz ADQLIHUPVFYCBG-KDOFPFPSSA-N 1 0 349.400 4.030 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)c2)s1 ZINC000740014850 1045180038 /nfs/dbraw/zinc/18/00/38/1045180038.db2.gz WOFIBPCAVMFNSL-UHFFFAOYSA-N 1 0 349.415 4.485 20 30 EIEDRO CSc1cc(C)ccc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000153528834 1045203756 /nfs/dbraw/zinc/20/37/56/1045203756.db2.gz GEDGDZMSBSUBFT-OAHLLOKOSA-N 1 0 326.465 4.298 20 30 EIEDRO CCCC[C@H](CC)C[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001272610547 1045210925 /nfs/dbraw/zinc/21/09/25/1045210925.db2.gz IGNVEAKWIFEAST-ZJOUEHCJSA-N 1 0 347.547 4.067 20 30 EIEDRO C[N@@H+]1CC[C@H](C/N=C/c2ccccc2O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762435930 1045231977 /nfs/dbraw/zinc/23/19/77/1045231977.db2.gz IHCUZYJCJKFZNG-KVWARKDESA-N 1 0 346.833 4.297 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccncc1 ZINC000766021934 1045237098 /nfs/dbraw/zinc/23/70/98/1045237098.db2.gz VOZHIKIRIGCQFT-KSSFIOAISA-N 1 0 335.451 4.279 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(Br)c1 ZINC000611080833 1045251404 /nfs/dbraw/zinc/25/14/04/1045251404.db2.gz RJNKGISDGSBSTK-ZDUSSCGKSA-N 1 0 329.241 4.480 20 30 EIEDRO C[C@@H](C#N)C[N@H+](CC/C=C/c1ccc(Br)cc1)C1CC1 ZINC000611091288 1045252181 /nfs/dbraw/zinc/25/21/81/1045252181.db2.gz PXVVMKNACSBCPV-PMUGQKEBSA-N 1 0 333.273 4.476 20 30 EIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000611235377 1045264222 /nfs/dbraw/zinc/26/42/22/1045264222.db2.gz IQMVSSMCVVIKRA-UHFFFAOYSA-N 1 0 342.389 4.225 20 30 EIEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000611335888 1045281765 /nfs/dbraw/zinc/28/17/65/1045281765.db2.gz LJVZCGSQWIQVOO-KBYPABAUSA-N 1 0 348.490 4.145 20 30 EIEDRO COc1ccc(C)cc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000611335531 1045281777 /nfs/dbraw/zinc/28/17/77/1045281777.db2.gz VQUHTHOMIGTMLQ-UHFFFAOYSA-N 1 0 334.463 4.497 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)ccn1 ZINC000611382878 1045293335 /nfs/dbraw/zinc/29/33/35/1045293335.db2.gz REISGVGISHHQMX-HXUWFJFHSA-N 1 0 347.393 4.002 20 30 EIEDRO Cc1csc(CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611392454 1045297719 /nfs/dbraw/zinc/29/77/19/1045297719.db2.gz WCLAXTRXPKZSSO-GOSISDBHSA-N 1 0 325.481 4.313 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000611391058 1045301796 /nfs/dbraw/zinc/30/17/96/1045301796.db2.gz OOJVSAZXHVOVHQ-NRFANRHFSA-N 1 0 347.462 4.442 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000611390178 1045302645 /nfs/dbraw/zinc/30/26/45/1045302645.db2.gz HZZUMBMTHIDDIA-DHIUTWEWSA-N 1 0 345.490 4.362 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000611390324 1045302997 /nfs/dbraw/zinc/30/29/97/1045302997.db2.gz SCIXXFCYKTVQOG-SFTDATJTSA-N 1 0 349.478 4.345 20 30 EIEDRO CC(C)C[N@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000611410778 1045304411 /nfs/dbraw/zinc/30/44/11/1045304411.db2.gz HBJZCFRXKFAUMA-UHFFFAOYSA-N 1 0 325.481 4.162 20 30 EIEDRO CC(C)C([NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000611434034 1045304913 /nfs/dbraw/zinc/30/49/13/1045304913.db2.gz HBOQFWXLSVXNHI-OAHLLOKOSA-N 1 0 347.528 4.290 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]CCC3CCCCC3)CC2)cc1 ZINC000611438540 1045307815 /nfs/dbraw/zinc/30/78/15/1045307815.db2.gz OATFFRHVXYIZDD-UHFFFAOYSA-N 1 0 325.500 4.083 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000611438302 1045308402 /nfs/dbraw/zinc/30/84/02/1045308402.db2.gz JGQRFSNSWNOBKH-QFIPXVFZSA-N 1 0 348.494 4.049 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000611465924 1045312929 /nfs/dbraw/zinc/31/29/29/1045312929.db2.gz MRWCGGCTVMQXBL-SGTLLEGYSA-N 1 0 332.806 4.389 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](c1ccc(C)o1)N1CCCC1 ZINC000237887467 1045398157 /nfs/dbraw/zinc/39/81/57/1045398157.db2.gz ROIPVSBDRSCLEJ-LJQANCHMSA-N 1 0 340.467 4.080 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Br)n1 ZINC000272404651 1045459231 /nfs/dbraw/zinc/45/92/31/1045459231.db2.gz JTFUVVVMODPXQL-UHFFFAOYSA-N 1 0 344.256 4.126 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000171740733 1045507839 /nfs/dbraw/zinc/50/78/39/1045507839.db2.gz VZXUBPWHBUTUMW-UHFFFAOYSA-N 1 0 349.478 4.049 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCSCC3)c2)c1 ZINC000171768060 1045575104 /nfs/dbraw/zinc/57/51/04/1045575104.db2.gz FTKHRKQBYCEHEN-UHFFFAOYSA-N 1 0 338.476 4.122 20 30 EIEDRO Clc1cccc(Cl)c1N=NC1CC[NH+](Cc2ccccn2)CC1 ZINC000763188552 1045687935 /nfs/dbraw/zinc/68/79/35/1045687935.db2.gz RMPQMQYZDGHHRQ-UHFFFAOYSA-N 1 0 349.265 4.452 20 30 EIEDRO C#CC[C@@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000791489050 1045749736 /nfs/dbraw/zinc/74/97/36/1045749736.db2.gz BHTRODHAVOHFDT-XZOQPEGZSA-N 1 0 329.443 4.097 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000768238548 1045751806 /nfs/dbraw/zinc/75/18/06/1045751806.db2.gz CIEXJHNJVLHTQX-JEDBISTDSA-N 1 0 347.886 4.426 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000791565753 1045770931 /nfs/dbraw/zinc/77/09/31/1045770931.db2.gz IUDNWOLEZVYCCJ-HXUWFJFHSA-N 1 0 336.435 4.090 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000072725795 1045795579 /nfs/dbraw/zinc/79/55/79/1045795579.db2.gz FURHLSBSJFVPMJ-UHFFFAOYSA-N 1 0 330.435 4.062 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1F ZINC000073052851 1045802024 /nfs/dbraw/zinc/80/20/24/1045802024.db2.gz FJIUHXNAXFMDQH-UHFFFAOYSA-N 1 0 348.425 4.201 20 30 EIEDRO C[C@@H](COc1ccccc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768400971 1045803034 /nfs/dbraw/zinc/80/30/34/1045803034.db2.gz IKVAAATZKHGFBT-NLMOZGTASA-N 1 0 334.463 4.448 20 30 EIEDRO CC(C)(C)[NH+]1CCC(N=Nc2nc(-c3ccccc3)cs2)CC1 ZINC000747041392 1045808058 /nfs/dbraw/zinc/80/80/58/1045808058.db2.gz IQOKJBSTRNADRX-UHFFFAOYSA-N 1 0 328.485 4.472 20 30 EIEDRO CC[C@H](C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000387357754 1045853716 /nfs/dbraw/zinc/85/37/16/1045853716.db2.gz JUDZKUUXKATHIK-KRWDZBQOSA-N 1 0 335.451 4.188 20 30 EIEDRO CCCCCCC[C@@H](C)CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000768930135 1045861145 /nfs/dbraw/zinc/86/11/45/1045861145.db2.gz LMXJYPDQSBDCQL-GOSISDBHSA-N 1 0 337.552 4.253 20 30 EIEDRO C#CCOc1ccccc1C[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000768925337 1045861605 /nfs/dbraw/zinc/86/16/05/1045861605.db2.gz FZMNBJWCWVQTPL-UHFFFAOYSA-N 1 0 347.458 4.102 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000248996292 1045890396 /nfs/dbraw/zinc/89/03/96/1045890396.db2.gz OZPMSSKTJJMWJL-LSBZLQRGSA-N 1 0 325.843 4.496 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000249826511 1045903463 /nfs/dbraw/zinc/90/34/63/1045903463.db2.gz QORGCQRFTBIJKO-YADHBBJMSA-N 1 0 349.478 4.046 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@]2(CC[N@H+](CCCCC(C)(C)C#N)C2)C1 ZINC000496342144 1045919737 /nfs/dbraw/zinc/91/97/37/1045919737.db2.gz MSVYEMULQFPHND-FQEVSTJZSA-N 1 0 349.519 4.039 20 30 EIEDRO CCCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC001170215773 1045931450 /nfs/dbraw/zinc/93/14/50/1045931450.db2.gz FJXZXWOUHYKGQN-KRWDZBQOSA-N 1 0 337.508 4.087 20 30 EIEDRO C#CCCOc1ccc(C[N@@H+](C)[C@@H]2CCCc3nc(C)sc32)cc1 ZINC000769403987 1045950562 /nfs/dbraw/zinc/95/05/62/1045950562.db2.gz MEIQURIOFAEXDP-LJQANCHMSA-N 1 0 340.492 4.363 20 30 EIEDRO CCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000769471548 1045989117 /nfs/dbraw/zinc/98/91/17/1045989117.db2.gz VRMKIHLZXJHNJO-HUYLIWGRSA-N 1 0 342.483 4.003 20 30 EIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001170289864 1045990364 /nfs/dbraw/zinc/99/03/64/1045990364.db2.gz AJKRXBVSXMUIQG-WOJBJXKFSA-N 1 0 340.854 4.472 20 30 EIEDRO Cc1cccc2ncc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)n21 ZINC001170359869 1046012554 /nfs/dbraw/zinc/01/25/54/1046012554.db2.gz KLFCJPFUFWNHTE-UHFFFAOYSA-N 1 0 344.462 4.137 20 30 EIEDRO N#CC1(c2ccccc2)CCC(NC(=[NH2+])c2cc(F)cc(F)c2)CC1 ZINC001170358888 1046014037 /nfs/dbraw/zinc/01/40/37/1046014037.db2.gz CHNCGVKAIYHSCU-UHFFFAOYSA-N 1 0 339.389 4.284 20 30 EIEDRO COCCc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001170364587 1046014823 /nfs/dbraw/zinc/01/48/23/1046014823.db2.gz AMWMORUVNYXOKS-UHFFFAOYSA-N 1 0 348.490 4.369 20 30 EIEDRO Cc1ccnn1C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170397706 1046031907 /nfs/dbraw/zinc/03/19/07/1046031907.db2.gz GKSZFLIVSPNXPZ-UHFFFAOYSA-N 1 0 348.494 4.233 20 30 EIEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000496813720 1046071128 /nfs/dbraw/zinc/07/11/28/1046071128.db2.gz XZFZLNOCSWAETI-AWEZNQCLSA-N 1 0 333.476 4.032 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccn2)CCC1N=Nc1c(F)cccc1Cl ZINC000769826350 1046086313 /nfs/dbraw/zinc/08/63/13/1046086313.db2.gz FGVLWPRXEIKTRP-CYBMUJFWSA-N 1 0 346.837 4.184 20 30 EIEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000324954964 1046099624 /nfs/dbraw/zinc/09/96/24/1046099624.db2.gz CMRONYMJKIWVJD-CQSZACIVSA-N 1 0 341.842 4.233 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1 ZINC000496929307 1046105762 /nfs/dbraw/zinc/10/57/62/1046105762.db2.gz SHBLKLASHKXVQV-VQTJNVASSA-N 1 0 349.434 4.037 20 30 EIEDRO CCCC[N@@H+](Cc1ccccc1F)C[C@H](O)c1ccc(C#N)cc1 ZINC000763406969 1046134563 /nfs/dbraw/zinc/13/45/63/1046134563.db2.gz JKCFMARMKPPTFO-FQEVSTJZSA-N 1 0 326.415 4.033 20 30 EIEDRO CCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1OC ZINC000763409102 1046135575 /nfs/dbraw/zinc/13/55/75/1046135575.db2.gz TVSRYJCDWJDVEM-OXQOHEQNSA-N 1 0 338.451 4.073 20 30 EIEDRO CC(C)([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000763403661 1046141736 /nfs/dbraw/zinc/14/17/36/1046141736.db2.gz PRAVOAMSUMOVLD-KRWDZBQOSA-N 1 0 348.368 4.135 20 30 EIEDRO C[C@H](c1ccccc1)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)CC1CCC1 ZINC000763411706 1046143959 /nfs/dbraw/zinc/14/39/59/1046143959.db2.gz ULDKNPQUHGAWAP-VGOFRKELSA-N 1 0 334.463 4.455 20 30 EIEDRO CC(C)[C@@H](COCc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000615085955 1046151898 /nfs/dbraw/zinc/15/18/98/1046151898.db2.gz ZYRMGELFKYLYKT-HXUWFJFHSA-N 1 0 326.415 4.028 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](CCCC(C)(C)C#N)CC2 ZINC000497020112 1046168924 /nfs/dbraw/zinc/16/89/24/1046168924.db2.gz KCVRFKCKIRGXIK-UHFFFAOYSA-N 1 0 349.519 4.039 20 30 EIEDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001170428797 1046187659 /nfs/dbraw/zinc/18/76/59/1046187659.db2.gz NMKIWBJKTCYOLT-INIZCTEOSA-N 1 0 342.826 4.051 20 30 EIEDRO C#CCCOc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000770379895 1046188965 /nfs/dbraw/zinc/18/89/65/1046188965.db2.gz LOUUTIRDZLGAIT-UHFFFAOYSA-N 1 0 342.442 4.250 20 30 EIEDRO C#CCOc1ccc(CNc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000793337101 1046210662 /nfs/dbraw/zinc/21/06/62/1046210662.db2.gz BZNFXVNMVLZJRE-UHFFFAOYSA-N 1 0 328.843 4.026 20 30 EIEDRO C=C[C@H](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000124223174 1046223901 /nfs/dbraw/zinc/22/39/01/1046223901.db2.gz MBQOFZMYDZJHSJ-OAQYLSRUSA-N 1 0 348.490 4.259 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000793620607 1046316565 /nfs/dbraw/zinc/31/65/65/1046316565.db2.gz QNXUHCLHOZSVMW-CYBMUJFWSA-N 1 0 326.362 4.142 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccccc1 ZINC000271759888 1046386046 /nfs/dbraw/zinc/38/60/46/1046386046.db2.gz ZLVONIMGXSABML-IBGZPJMESA-N 1 0 338.476 4.315 20 30 EIEDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000533820654 1046512687 /nfs/dbraw/zinc/51/26/87/1046512687.db2.gz VWPMFPQIWWSAJX-KRWDZBQOSA-N 1 0 331.341 4.176 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)c1c(F)cccc1F ZINC000916986319 1046522884 /nfs/dbraw/zinc/52/28/84/1046522884.db2.gz CBGQRBHUOBUARZ-CQSZACIVSA-N 1 0 343.826 4.401 20 30 EIEDRO C=CCn1c(SCC[C@@H]2CCC[N@H+]2C)nnc1-c1ccccc1C ZINC000126865396 1046577487 /nfs/dbraw/zinc/57/74/87/1046577487.db2.gz CPZHOYDXIKDMIE-INIZCTEOSA-N 1 0 342.512 4.016 20 30 EIEDRO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000917063627 1046614719 /nfs/dbraw/zinc/61/47/19/1046614719.db2.gz CXLISSSDIDRONT-CQSZACIVSA-N 1 0 330.378 4.298 20 30 EIEDRO CN(C)c1ccc(C[N@H+](CCCOc2ccc(C#N)cc2)C2CC2)cc1 ZINC000917075089 1046637459 /nfs/dbraw/zinc/63/74/59/1046637459.db2.gz PQMQCLRRDIYLBZ-UHFFFAOYSA-N 1 0 349.478 4.058 20 30 EIEDRO C=CCOc1ccc(C[N@H+](C)CCc2ncc(C)s2)cc1Cl ZINC000536665107 1046639313 /nfs/dbraw/zinc/63/93/13/1046639313.db2.gz QXPOVLLEUCFCGL-UHFFFAOYSA-N 1 0 336.888 4.344 20 30 EIEDRO Cc1cccc(OCCC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1C ZINC000785574880 1046723144 /nfs/dbraw/zinc/72/31/44/1046723144.db2.gz BOXVSLRZWOUWNJ-QGZVFWFLSA-N 1 0 338.451 4.153 20 30 EIEDRO CC1(C)CCc2cc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)ccc2O1 ZINC000785617112 1046727293 /nfs/dbraw/zinc/72/72/93/1046727293.db2.gz KOWJCQPHRXPSIA-HXUWFJFHSA-N 1 0 332.447 4.439 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000785616473 1046728795 /nfs/dbraw/zinc/72/87/95/1046728795.db2.gz CLTUSVTWJXAORX-INIZCTEOSA-N 1 0 334.391 4.384 20 30 EIEDRO N#Cc1ccc(-c2ccc(OC(=O)c3ccc4c[nH+]cn4c3)cc2)cc1 ZINC000785729889 1046739657 /nfs/dbraw/zinc/73/96/57/1046739657.db2.gz OCEIQIWAWMKCAJ-UHFFFAOYSA-N 1 0 339.354 4.092 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000536874801 1046836714 /nfs/dbraw/zinc/83/67/14/1046836714.db2.gz GUVBRWMJWZITQQ-CYBMUJFWSA-N 1 0 347.336 4.136 20 30 EIEDRO COc1cccc2c1C[C@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC000459716717 1046862827 /nfs/dbraw/zinc/86/28/27/1046862827.db2.gz ZTDPJAFDIVAISW-LRZVDXDASA-N 1 0 346.474 4.156 20 30 EIEDRO COc1cccc2c1C[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC000459716711 1046863310 /nfs/dbraw/zinc/86/33/10/1046863310.db2.gz ZTDPJAFDIVAISW-KQVJYAISSA-N 1 0 346.474 4.156 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000459754953 1046871526 /nfs/dbraw/zinc/87/15/26/1046871526.db2.gz MZEXGEYCYDFPDY-NRFANRHFSA-N 1 0 325.500 4.081 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000459738078 1046876185 /nfs/dbraw/zinc/87/61/85/1046876185.db2.gz XJLXNGUDYCGKGZ-UHFFFAOYSA-N 1 0 336.361 4.125 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cnn(-c2ccccc2)c1 ZINC000787029452 1046894726 /nfs/dbraw/zinc/89/47/26/1046894726.db2.gz XEXIEDOHPMRGPH-YCRPNKLZSA-N 1 0 328.419 4.082 20 30 EIEDRO CCc1nc2ccccc2n1[NH+]=C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000787151648 1046918103 /nfs/dbraw/zinc/91/81/03/1046918103.db2.gz IVNZGBIATNJGIG-DGBHEGIHSA-N 1 0 334.379 4.444 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000537092992 1046939093 /nfs/dbraw/zinc/93/90/93/1046939093.db2.gz QUJKHVXUXKONIB-OLZOCXBDSA-N 1 0 333.419 4.176 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000537093302 1046944296 /nfs/dbraw/zinc/94/42/96/1046944296.db2.gz HCZAHPXBCMKJIW-GXTWGEPZSA-N 1 0 334.460 4.093 20 30 EIEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000746665506 1046974615 /nfs/dbraw/zinc/97/46/15/1046974615.db2.gz CKCNJFPZQXYMCE-HZPDHXFCSA-N 1 0 337.508 4.084 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000537203669 1047039098 /nfs/dbraw/zinc/03/90/98/1047039098.db2.gz JZGJPHGRZCABPU-PGRDOPGGSA-N 1 0 349.478 4.302 20 30 EIEDRO N#Cc1sc(NCc2ccccc2C[NH+]2CCCCC2)nc1Cl ZINC000787894368 1047062893 /nfs/dbraw/zinc/06/28/93/1047062893.db2.gz KXOYBGBILDUHKU-UHFFFAOYSA-N 1 0 346.887 4.266 20 30 EIEDRO CC(C)CC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000537294954 1047075688 /nfs/dbraw/zinc/07/56/88/1047075688.db2.gz HOXVCVQBWLJWKY-UHFFFAOYSA-N 1 0 339.527 4.329 20 30 EIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000537307553 1047094077 /nfs/dbraw/zinc/09/40/77/1047094077.db2.gz ACGIHKPBBCCBEC-KBPBESRZSA-N 1 0 338.879 4.400 20 30 EIEDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000537405707 1047197459 /nfs/dbraw/zinc/19/74/59/1047197459.db2.gz QYROOSSPUUBAJP-LAPQFRIASA-N 1 0 342.414 4.133 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)c1 ZINC000788648099 1047249088 /nfs/dbraw/zinc/24/90/88/1047249088.db2.gz XGMPHPZODJJALO-GHTZIAJQSA-N 1 0 336.435 4.240 20 30 EIEDRO C#CCC[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000760305724 1047305328 /nfs/dbraw/zinc/30/53/28/1047305328.db2.gz ZGMYZNIESNGFBB-KRWDZBQOSA-N 1 0 332.216 4.291 20 30 EIEDRO C=CCN(C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(C)C ZINC000918067309 1047312220 /nfs/dbraw/zinc/31/22/20/1047312220.db2.gz AWISVXGUUSJSRA-SFHVURJKSA-N 1 0 349.906 4.083 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(C(F)F)nc3)CC2)cc1 ZINC000897588760 1047320032 /nfs/dbraw/zinc/32/00/32/1047320032.db2.gz MRHAULNDZGTBJS-UHFFFAOYSA-N 1 0 327.378 4.270 20 30 EIEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000612095268 1047333184 /nfs/dbraw/zinc/33/31/84/1047333184.db2.gz HHGXABKGLYGNAB-SFHVURJKSA-N 1 0 345.490 4.168 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2oc3ccccc3c2OC)cc1 ZINC000788968809 1047338360 /nfs/dbraw/zinc/33/83/60/1047338360.db2.gz BSNIVXWYOWUWHF-UHFFFAOYSA-N 1 0 335.403 4.133 20 30 EIEDRO COc1c2ccccc2oc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000788979934 1047350857 /nfs/dbraw/zinc/35/08/57/1047350857.db2.gz IHMRDWZUOKXJGD-CQSZACIVSA-N 1 0 336.391 4.195 20 30 EIEDRO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1nc(C#N)cs1 ZINC000897628771 1047403814 /nfs/dbraw/zinc/40/38/14/1047403814.db2.gz CBZRTPGJIAGABR-LLVKDONJSA-N 1 0 339.386 4.144 20 30 EIEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCC=CCCC2)c(-c2ccncc2)n1 ZINC000898032815 1047534537 /nfs/dbraw/zinc/53/45/37/1047534537.db2.gz XUXQIYRAIGJMMK-GOSISDBHSA-N 1 0 349.482 4.085 20 30 EIEDRO CCCCCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000747443582 1047580479 /nfs/dbraw/zinc/58/04/79/1047580479.db2.gz OUTSCNKSKPEYSI-KRWDZBQOSA-N 1 0 336.545 4.437 20 30 EIEDRO C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000556598607 1047837966 /nfs/dbraw/zinc/83/79/66/1047837966.db2.gz RDNVWWAPGVMEET-QVKFZJNVSA-N 1 0 330.435 4.009 20 30 EIEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000556600855 1047838747 /nfs/dbraw/zinc/83/87/47/1047838747.db2.gz KLRMWDYZVBZCBK-HNNXBMFYSA-N 1 0 335.407 4.066 20 30 EIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000556617548 1047839636 /nfs/dbraw/zinc/83/96/36/1047839636.db2.gz LWDQFTSTPVVKMC-AWEZNQCLSA-N 1 0 330.391 4.111 20 30 EIEDRO N#CC1(CC(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCCC1 ZINC000824336693 1047856850 /nfs/dbraw/zinc/85/68/50/1047856850.db2.gz PICDZCLIAVRJAV-UHFFFAOYSA-N 1 0 345.531 4.011 20 30 EIEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000824376733 1047864313 /nfs/dbraw/zinc/86/43/13/1047864313.db2.gz MDXTYZTXHKILNH-KQNYQFSSSA-N 1 0 349.519 4.082 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC001171058422 1047878645 /nfs/dbraw/zinc/87/86/45/1047878645.db2.gz UMJLEWGIADJUJH-QGZVFWFLSA-N 1 0 344.499 4.482 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1Cl ZINC000808444358 1047903776 /nfs/dbraw/zinc/90/37/76/1047903776.db2.gz GZNAULYWCCLCAH-AUUYWEPGSA-N 1 0 331.843 4.117 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@@H](c2ccccc2)C2CC2)cc1 ZINC000814297996 1047959215 /nfs/dbraw/zinc/95/92/15/1047959215.db2.gz NGDGBTJQPFROTO-QFIPXVFZSA-N 1 0 333.479 4.320 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000814304003 1047969354 /nfs/dbraw/zinc/96/93/54/1047969354.db2.gz FMYMDTYOUFCCDC-QFIPXVFZSA-N 1 0 349.478 4.048 20 30 EIEDRO CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000824854626 1047975656 /nfs/dbraw/zinc/97/56/56/1047975656.db2.gz BHDJTRKRLDYKSI-OAQYLSRUSA-N 1 0 334.463 4.106 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000775408671 1048030542 /nfs/dbraw/zinc/03/05/42/1048030542.db2.gz BNLNPAXSIPUQPC-ZWKOTPCHSA-N 1 0 344.817 4.051 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)cc1 ZINC000825130189 1048039080 /nfs/dbraw/zinc/03/90/80/1048039080.db2.gz PCYUOBWENNSAAZ-HNNXBMFYSA-N 1 0 340.854 4.496 20 30 EIEDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1O ZINC000808706137 1048052872 /nfs/dbraw/zinc/05/28/72/1048052872.db2.gz YJFDNSUFGALZFC-ZDUSSCGKSA-N 1 0 330.815 4.107 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)cc1 ZINC001171078276 1048057070 /nfs/dbraw/zinc/05/70/70/1048057070.db2.gz LIJTTYQEQITDGN-UHFFFAOYSA-N 1 0 340.417 4.486 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)c1ccc(C)s1)C(C)C ZINC000919787285 1048065690 /nfs/dbraw/zinc/06/56/90/1048065690.db2.gz SGBCPGCUAAMHCQ-DLBZAZTESA-N 1 0 349.544 4.115 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@](C)(Cc2ccccc2)C2CC2)cc1 ZINC000825321882 1048068045 /nfs/dbraw/zinc/06/80/45/1048068045.db2.gz PXQMOAVODXDBMN-VGSWGCGISA-N 1 0 334.463 4.478 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000556865386 1048072099 /nfs/dbraw/zinc/07/20/99/1048072099.db2.gz MCINBXCTWLFJNV-HXUWFJFHSA-N 1 0 345.490 4.237 20 30 EIEDRO N#CCCC[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000814659364 1048103829 /nfs/dbraw/zinc/10/38/29/1048103829.db2.gz MFKQLJKLEHTUNH-NRFANRHFSA-N 1 0 333.435 4.352 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000556886610 1048105016 /nfs/dbraw/zinc/10/50/16/1048105016.db2.gz XGZKKDRYOXDBHC-YPAWHYETSA-N 1 0 334.463 4.194 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000814660663 1048107283 /nfs/dbraw/zinc/10/72/83/1048107283.db2.gz YFIAIYHLHSHWNO-MSOLQXFVSA-N 1 0 330.378 4.023 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)c1cccc(Cl)c1)c1ccccc1 ZINC000814661098 1048107304 /nfs/dbraw/zinc/10/73/04/1048107304.db2.gz VHKRXHZIZFZNHO-RBUKOAKNSA-N 1 0 328.843 4.398 20 30 EIEDRO N#CCC1CC[NH+](Cc2ccc(Cl)c(OC(F)(F)F)c2)CC1 ZINC001143358338 1048115113 /nfs/dbraw/zinc/11/51/13/1048115113.db2.gz YBUPYLHMNFFWNK-UHFFFAOYSA-N 1 0 332.753 4.364 20 30 EIEDRO FC(F)(F)Oc1cc(C[NH+]2CCC(S)CC2)ccc1Cl ZINC001143362185 1048115960 /nfs/dbraw/zinc/11/59/60/1048115960.db2.gz PSJDHWWEPCVRTL-UHFFFAOYSA-N 1 0 325.783 4.133 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OC[C@H]2CC[C@@H](C#N)CC2)cc1 ZINC000809088564 1048205178 /nfs/dbraw/zinc/20/51/78/1048205178.db2.gz TYANCSBWUPNOKF-IZAXUBKRSA-N 1 0 342.483 4.405 20 30 EIEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171108412 1048211341 /nfs/dbraw/zinc/21/13/41/1048211341.db2.gz HRKMGIMHAMGCEZ-IBGZPJMESA-N 1 0 349.865 4.398 20 30 EIEDRO CC[N@H+](CCOCCC#N)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000815069360 1048319035 /nfs/dbraw/zinc/31/90/35/1048319035.db2.gz SSWHYOFLCXTOGC-HXUWFJFHSA-N 1 0 326.415 4.167 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ccc(OC)cc2)c1O ZINC000919937098 1048320091 /nfs/dbraw/zinc/32/00/91/1048320091.db2.gz WVOFYVPJDBDJPF-UHFFFAOYSA-N 1 0 341.451 4.160 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ccccc2F)c1O ZINC000919941176 1048324037 /nfs/dbraw/zinc/32/40/37/1048324037.db2.gz FPQJPAZWDOFFLI-UHFFFAOYSA-N 1 0 329.415 4.291 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1O ZINC000919952123 1048338334 /nfs/dbraw/zinc/33/83/34/1048338334.db2.gz RYXUMRAOUCFWPA-HXUWFJFHSA-N 1 0 338.451 4.252 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000815142224 1048366420 /nfs/dbraw/zinc/36/64/20/1048366420.db2.gz PVWXAPGBWCORMU-UHFFFAOYSA-N 1 0 325.478 4.182 20 30 EIEDRO C=CC[C@H](C)C(=O)n1c2ccc(OCC)cc2c(=[NH2+])c2ccc(N)cc21 ZINC001144020422 1048368598 /nfs/dbraw/zinc/36/85/98/1048368598.db2.gz JKNDKSMLQXQBCA-ZDUSSCGKSA-N 1 0 349.434 4.107 20 30 EIEDRO C=CC(C)(C)CC(=O)N1CC(C)(C)[N@H+](Cc2ccccc2)CC1(C)C ZINC001131760273 1048411335 /nfs/dbraw/zinc/41/13/35/1048411335.db2.gz UJQLVPSRMJNICR-UHFFFAOYSA-N 1 0 342.527 4.490 20 30 EIEDRO N#Cc1cncc(C[NH+]2CCC(CCc3ccc(Cl)cc3)CC2)c1 ZINC001144079898 1048411931 /nfs/dbraw/zinc/41/19/31/1048411931.db2.gz OEJKNLFMPQVBMS-UHFFFAOYSA-N 1 0 339.870 4.451 20 30 EIEDRO C#Cc1ccc(C[N@H+](CCCOc2ccccc2)C2CCOCC2)cc1 ZINC000809640725 1048449616 /nfs/dbraw/zinc/44/96/16/1048449616.db2.gz KUVBLSAGPQIBMM-UHFFFAOYSA-N 1 0 349.474 4.118 20 30 EIEDRO N#CCC1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809637004 1048450625 /nfs/dbraw/zinc/45/06/25/1048450625.db2.gz LDSYILJKAKWQFK-UHFFFAOYSA-N 1 0 345.490 4.375 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000809661326 1048466102 /nfs/dbraw/zinc/46/61/02/1048466102.db2.gz ANYPFFXWYAPBEA-QGZVFWFLSA-N 1 0 342.236 4.044 20 30 EIEDRO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)c(C)cc1O ZINC000809705170 1048489015 /nfs/dbraw/zinc/48/90/15/1048489015.db2.gz PBXQOYJIYMXBOA-UHFFFAOYSA-N 1 0 327.472 4.365 20 30 EIEDRO C=C(C[NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccccc1 ZINC000815570275 1048511650 /nfs/dbraw/zinc/51/16/50/1048511650.db2.gz XWARMCYGBOQIKJ-QGZVFWFLSA-N 1 0 336.435 4.397 20 30 EIEDRO C[C@@H](C#N)OCC[NH2+][C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000810082585 1048622950 /nfs/dbraw/zinc/62/29/50/1048622950.db2.gz TWCQFMDTXDCCME-XJKSGUPXSA-N 1 0 342.405 4.181 20 30 EIEDRO N#CCSCCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000074981882 1048636833 /nfs/dbraw/zinc/63/68/33/1048636833.db2.gz MAYLGMFNDAHMGO-UHFFFAOYSA-N 1 0 328.403 4.317 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC001171178119 1048650924 /nfs/dbraw/zinc/65/09/24/1048650924.db2.gz CNCLOBCROSXNAU-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]Cc1cc(C#N)ccc1F ZINC000810146584 1048655834 /nfs/dbraw/zinc/65/58/34/1048655834.db2.gz SYVWNMIJUCYLFP-JYRVWZFOSA-N 1 0 346.352 4.492 20 30 EIEDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000810151610 1048657358 /nfs/dbraw/zinc/65/73/58/1048657358.db2.gz DBVNDWRYXSEGRF-FZKQIMNGSA-N 1 0 348.368 4.179 20 30 EIEDRO COc1cccc(C(F)(F)F)c1C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171184403 1048676062 /nfs/dbraw/zinc/67/60/62/1048676062.db2.gz MPADOBAOLOWTQA-ZDUSSCGKSA-N 1 0 348.368 4.306 20 30 EIEDRO C=CCOCc1cccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171186107 1048683952 /nfs/dbraw/zinc/68/39/52/1048683952.db2.gz NZKBXTZBZYCIDU-UHFFFAOYSA-N 1 0 332.403 4.285 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccc3ccccc3c1)CC2 ZINC000810216837 1048686213 /nfs/dbraw/zinc/68/62/13/1048686213.db2.gz PTIULPQHUHIQCA-FCHUYYIVSA-N 1 0 328.415 4.022 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(OC)c(F)c2)cc1OC ZINC000920490420 1048686530 /nfs/dbraw/zinc/68/65/30/1048686530.db2.gz XRRCGKBIQZIJAG-UHFFFAOYSA-N 1 0 345.414 4.040 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1c2ccccc2c2c1CC[C@H]([NH3+])C2 ZINC001171190063 1048693492 /nfs/dbraw/zinc/69/34/92/1048693492.db2.gz PGZOQLLZWOHDSE-QAPCUYQASA-N 1 0 329.447 4.133 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)Nc1ccc(C[NH3+])cc1C(F)(F)F ZINC001171191810 1048693518 /nfs/dbraw/zinc/69/35/18/1048693518.db2.gz FYOBHHSNEUESNY-GFCCVEGCSA-N 1 0 333.357 4.079 20 30 EIEDRO COc1ccc2cccc(CC[NH2+][C@@H](C)Cc3cccc(C#N)c3)c2c1 ZINC001171192754 1048694778 /nfs/dbraw/zinc/69/47/78/1048694778.db2.gz PQKFJQSBSOWTMA-KRWDZBQOSA-N 1 0 344.458 4.483 20 30 EIEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3ccccc3)c2)C1 ZINC001144498266 1048704760 /nfs/dbraw/zinc/70/47/60/1048704760.db2.gz FVSPCIUABHJTRI-SFHVURJKSA-N 1 0 335.447 4.119 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC3(CC2)OCc2ccc(Cl)cc23)cc1 ZINC001144578320 1048729657 /nfs/dbraw/zinc/72/96/57/1048729657.db2.gz AFMMQFGTMMSIMO-UHFFFAOYSA-N 1 0 337.850 4.343 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(Br)s1 ZINC001171201925 1048756325 /nfs/dbraw/zinc/75/63/25/1048756325.db2.gz TWFDRPZFDBLBJD-GFCCVEGCSA-N 1 0 349.297 4.146 20 30 EIEDRO C=CC1(CC(=O)N2CCN(Cc3ccccc3C)CC2)CCCCC1 ZINC001135521233 1048762197 /nfs/dbraw/zinc/76/21/97/1048762197.db2.gz KGZSZJGCRCLQPD-UHFFFAOYSA-N 1 0 340.511 4.166 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC001204040371 1048772414 /nfs/dbraw/zinc/77/24/14/1048772414.db2.gz UZICODFUJFTZRJ-UHFFFAOYSA-N 1 0 332.856 4.317 20 30 EIEDRO COC1([C@H](C)[NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)CCC1 ZINC001171208962 1048806974 /nfs/dbraw/zinc/80/69/74/1048806974.db2.gz XFNUNVQNKWGOON-IBGZPJMESA-N 1 0 348.490 4.434 20 30 EIEDRO COc1cccc([C@H](C/N=C\c2c(O)ccc3ccccc32)[NH+](C)C)c1 ZINC000920945381 1048819367 /nfs/dbraw/zinc/81/93/67/1048819367.db2.gz XDMVHKGNPAGKKF-KUOTXRDYSA-N 1 0 348.446 4.276 20 30 EIEDRO C=CCCC[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001135654630 1048848286 /nfs/dbraw/zinc/84/82/86/1048848286.db2.gz XNKCLHLVYJGKAR-HXUWFJFHSA-N 1 0 328.500 4.116 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001171221287 1048856133 /nfs/dbraw/zinc/85/61/33/1048856133.db2.gz KBMGNSFHKBPBKB-JXFKEZNVSA-N 1 0 337.492 4.141 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001171221288 1048856765 /nfs/dbraw/zinc/85/67/65/1048856765.db2.gz KBMGNSFHKBPBKB-OXJNMPFZSA-N 1 0 337.492 4.141 20 30 EIEDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171233005 1048872785 /nfs/dbraw/zinc/87/27/85/1048872785.db2.gz YPSYNCIYJXPIHA-IERDGZPVSA-N 1 0 348.446 4.113 20 30 EIEDRO CCCCCCCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000772949818 1048887493 /nfs/dbraw/zinc/88/74/93/1048887493.db2.gz VFQKFEONDFAHRW-CQSZACIVSA-N 1 0 329.481 4.240 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc2c(s1)CCCC2 ZINC000772957312 1048936486 /nfs/dbraw/zinc/93/64/86/1048936486.db2.gz DDYLDFGSYXGZEN-AWEZNQCLSA-N 1 0 326.465 4.380 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H]2CCc3ccc(Br)cc3C2)cs1 ZINC001170862034 1048951897 /nfs/dbraw/zinc/95/18/97/1048951897.db2.gz ICEMYDLQUPASTL-OAHLLOKOSA-N 1 0 347.281 4.029 20 30 EIEDRO N#CCc1cc(NCc2cccc(OCC3CCCCC3)c2)cc[nH+]1 ZINC001171260342 1048969263 /nfs/dbraw/zinc/96/92/63/1048969263.db2.gz ATTCMOIXSVTLMM-UHFFFAOYSA-N 1 0 335.451 4.141 20 30 EIEDRO N#CCN1CCC([NH2+]Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000609335065 1049011691 /nfs/dbraw/zinc/01/16/91/1049011691.db2.gz SDTSHRHIILHGNJ-UHFFFAOYSA-N 1 0 345.899 4.146 20 30 EIEDRO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1C(C)(C)C#N ZINC000135108302 1049071096 /nfs/dbraw/zinc/07/10/96/1049071096.db2.gz GXHTVGLBCRAQDZ-UHFFFAOYSA-N 1 0 344.462 4.305 20 30 EIEDRO C=C(CC)C(=O)N(CCC[NH+](CC)CC)Cc1ccc(Cl)cc1 ZINC001146919063 1049073111 /nfs/dbraw/zinc/07/31/11/1049073111.db2.gz JQOUYHKLXFMAJZ-UHFFFAOYSA-N 1 0 336.907 4.367 20 30 EIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000763453516 1049083641 /nfs/dbraw/zinc/08/36/41/1049083641.db2.gz NYVGADMSUWAZKL-QZTJIDSGSA-N 1 0 348.874 4.022 20 30 EIEDRO C=CCCC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC001147172124 1049093544 /nfs/dbraw/zinc/09/35/44/1049093544.db2.gz IMNPFCNNAFDRQJ-IBGZPJMESA-N 1 0 332.532 4.426 20 30 EIEDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000127947884 1049187809 /nfs/dbraw/zinc/18/78/09/1049187809.db2.gz GYWDFPGVKUCCQC-FVYSKSNYSA-N 1 0 344.462 4.331 20 30 EIEDRO CCc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC000772983531 1049193411 /nfs/dbraw/zinc/19/34/11/1049193411.db2.gz KNSKAKSAURTYIT-BBRMVZONSA-N 1 0 327.428 4.077 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC001147742189 1049211634 /nfs/dbraw/zinc/21/16/34/1049211634.db2.gz JJGKHAVDHKQRMZ-UHFFFAOYSA-N 1 0 326.893 4.287 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)Cc2cccc(F)c2)c1 ZINC000772985744 1049215269 /nfs/dbraw/zinc/21/52/69/1049215269.db2.gz XZGPBKNWTVXEJF-DNVCBOLYSA-N 1 0 326.415 4.227 20 30 EIEDRO C=CC[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000819073372 1049259914 /nfs/dbraw/zinc/25/99/14/1049259914.db2.gz CWAYRSPEINKEPE-DLBZAZTESA-N 1 0 336.357 4.041 20 30 EIEDRO CC(C)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000609676990 1049263849 /nfs/dbraw/zinc/26/38/49/1049263849.db2.gz JSVMGSDFYBIIGM-YJBOKZPZSA-N 1 0 329.488 4.326 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)c1 ZINC000772986043 1049270397 /nfs/dbraw/zinc/27/03/97/1049270397.db2.gz ZDWYDMQTNFOHLK-BBRMVZONSA-N 1 0 329.831 4.267 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000078730807 1049279949 /nfs/dbraw/zinc/27/99/49/1049279949.db2.gz SZPIFUXGHTZFHP-SFHVURJKSA-N 1 0 341.480 4.162 20 30 EIEDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000819252559 1049281881 /nfs/dbraw/zinc/28/18/81/1049281881.db2.gz UEPIPLOWMKFMCN-UGSOOPFHSA-N 1 0 348.368 4.004 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+]C2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000819218717 1049286071 /nfs/dbraw/zinc/28/60/71/1049286071.db2.gz JXSZQUKBRBTLEL-FBPXKMNZSA-N 1 0 338.426 4.047 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819271132 1049295575 /nfs/dbraw/zinc/29/55/75/1049295575.db2.gz OFIZACLXCSMTST-ROUUACIJSA-N 1 0 347.245 4.176 20 30 EIEDRO N#Cc1ccc(F)c(N([C@@H]2C[C@H]2c2ccccc2)C2CCC([NH3+])CC2)c1 ZINC001170645426 1049299457 /nfs/dbraw/zinc/29/94/57/1049299457.db2.gz FLXPTEYZDLJARI-KWOGNLBTSA-N 1 0 349.453 4.330 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000819378215 1049311878 /nfs/dbraw/zinc/31/18/78/1049311878.db2.gz XCDZAWCEUBHABL-MOPGFXCFSA-N 1 0 344.817 4.051 20 30 EIEDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(C2CC2)c(C#N)c1)c1ccccc1 ZINC001133088888 1049329221 /nfs/dbraw/zinc/32/92/21/1049329221.db2.gz YONUBTFQIHHTJY-OAQYLSRUSA-N 1 0 347.462 4.457 20 30 EIEDRO N#Cc1c(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cn2ccccc12 ZINC000609916562 1049393831 /nfs/dbraw/zinc/39/38/31/1049393831.db2.gz XTMFRJLEEYZVCK-QGZVFWFLSA-N 1 0 333.410 4.015 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000079392738 1049394709 /nfs/dbraw/zinc/39/47/09/1049394709.db2.gz IJDOGUPGKKNUFN-IBGZPJMESA-N 1 0 343.515 4.039 20 30 EIEDRO COC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000348219779 1049486957 /nfs/dbraw/zinc/48/69/57/1049486957.db2.gz DNQIWESOYBZVLB-OAHLLOKOSA-N 1 0 328.378 4.312 20 30 EIEDRO C=CCCCCCCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000812495144 1049494917 /nfs/dbraw/zinc/49/49/17/1049494917.db2.gz KHPMEJUVPHROEX-UHFFFAOYSA-N 1 0 335.536 4.030 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2COc3ccc(Cl)cc32)cc1 ZINC000773060503 1049558539 /nfs/dbraw/zinc/55/85/39/1049558539.db2.gz QRRIFVHMAOTTRY-UGSOOPFHSA-N 1 0 327.811 4.136 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812744098 1049561701 /nfs/dbraw/zinc/56/17/01/1049561701.db2.gz ZKYPGFSAMCNNGN-WMZOPIPTSA-N 1 0 329.488 4.392 20 30 EIEDRO CC(C)c1nccnc1N=NC1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000773077755 1049567036 /nfs/dbraw/zinc/56/70/36/1049567036.db2.gz IVALVFXVRMKCGZ-MRXNPFEDSA-N 1 0 337.471 4.052 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)cc1C#N ZINC000773076325 1049569775 /nfs/dbraw/zinc/56/97/75/1049569775.db2.gz LVCQIYWEBYLNKX-QGZVFWFLSA-N 1 0 349.478 4.408 20 30 EIEDRO CC(C)c1nccnc1N=NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000773077964 1049570349 /nfs/dbraw/zinc/57/03/49/1049570349.db2.gz KHSFQLIMVZJVJN-NVXWUHKLSA-N 1 0 329.492 4.042 20 30 EIEDRO CC(C)c1nccnc1N=NC1CCCC[C@H]1[NH+]1CCCCCC1 ZINC000773091445 1049574115 /nfs/dbraw/zinc/57/41/15/1049574115.db2.gz OWKIHQNKGBFPPW-QGZVFWFLSA-N 1 0 329.492 4.187 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1 ZINC000773106116 1049583510 /nfs/dbraw/zinc/58/35/10/1049583510.db2.gz KFQNHKOELOOTNR-KBXCAEBGSA-N 1 0 327.399 4.258 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C)c1ccccc1 ZINC000773116193 1049587932 /nfs/dbraw/zinc/58/79/32/1049587932.db2.gz QJIHSNWFTFSRKF-UWJYYQICSA-N 1 0 334.463 4.375 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)C=Cc2c[nH]nc2-c2ccccc2F)c1 ZINC000821021394 1049589392 /nfs/dbraw/zinc/58/93/92/1049589392.db2.gz FOCXFRGOPLWITA-ZHACJKMWSA-N 1 0 349.409 4.174 20 30 EIEDRO COc1cc(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)ccc1SC ZINC000821021281 1049590609 /nfs/dbraw/zinc/59/06/09/1049590609.db2.gz FAQHSJISVGNTLO-CSKARUKUSA-N 1 0 341.476 4.375 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cn(CCCCC)nc2C)cc1 ZINC000773139897 1049602798 /nfs/dbraw/zinc/60/27/98/1049602798.db2.gz UJGHEBQJEJLACE-QGZVFWFLSA-N 1 0 339.483 4.245 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCCCCCC3)CC2)nc1 ZINC000773145890 1049607754 /nfs/dbraw/zinc/60/77/54/1049607754.db2.gz NTDXYIWBGDXBFZ-UHFFFAOYSA-N 1 0 327.472 4.346 20 30 EIEDRO CC[N@H+](Cc1ccc(Cl)cc1C#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853502 1049614822 /nfs/dbraw/zinc/61/48/22/1049614822.db2.gz RIHSHPGWXDIIBN-KUHUBIRLSA-N 1 0 328.843 4.156 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC001171400145 1049621305 /nfs/dbraw/zinc/62/13/05/1049621305.db2.gz SLZYBYRCQSDQMP-GFCCVEGCSA-N 1 0 334.341 4.476 20 30 EIEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC001171489251 1049718244 /nfs/dbraw/zinc/71/82/44/1049718244.db2.gz DZFKQECQHNIBED-LBPRGKRZSA-N 1 0 326.665 4.338 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000179705141 1049725813 /nfs/dbraw/zinc/72/58/13/1049725813.db2.gz LNYVWNONKVMXEX-IBGZPJMESA-N 1 0 326.827 4.461 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000179704021 1049726554 /nfs/dbraw/zinc/72/65/54/1049726554.db2.gz VCUBMSPUPUFXAT-IBGZPJMESA-N 1 0 326.827 4.461 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170985329 1049752523 /nfs/dbraw/zinc/75/25/23/1049752523.db2.gz MMZOXMVCFXRPPT-LJQANCHMSA-N 1 0 334.438 4.240 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)C ZINC001171598774 1049763623 /nfs/dbraw/zinc/76/36/23/1049763623.db2.gz KUVFLCPFNHNUET-UHFFFAOYSA-N 1 0 344.503 4.151 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001171705623 1049780650 /nfs/dbraw/zinc/78/06/50/1049780650.db2.gz DAEYRRPXKMKMFM-FOIQADDNSA-N 1 0 340.854 4.256 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001171705624 1049780821 /nfs/dbraw/zinc/78/08/21/1049780821.db2.gz DAEYRRPXKMKMFM-MGPUTAFESA-N 1 0 340.854 4.256 20 30 EIEDRO C[C@H]1C[C@H](N(CCC#N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001171746605 1049789228 /nfs/dbraw/zinc/78/92/28/1049789228.db2.gz PSGRFUGDRKYUPI-UGKGYDQZSA-N 1 0 333.479 4.065 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC001171733881 1049799425 /nfs/dbraw/zinc/79/94/25/1049799425.db2.gz JMHVEYYGZYFYPX-MTNREXPMSA-N 1 0 333.479 4.262 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)cc1 ZINC001171791775 1049805643 /nfs/dbraw/zinc/80/56/43/1049805643.db2.gz OXQVHIINYPOOOG-UHFFFAOYSA-N 1 0 328.415 4.419 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)C1 ZINC001171842149 1049812165 /nfs/dbraw/zinc/81/21/65/1049812165.db2.gz ZLASBTWCSJZVAS-QAPCUYQASA-N 1 0 334.891 4.195 20 30 EIEDRO CCC#C[C@@H](C)[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001171916474 1049819250 /nfs/dbraw/zinc/81/92/50/1049819250.db2.gz MEXZSCUPXOLBGS-MJGOQNOKSA-N 1 0 348.531 4.147 20 30 EIEDRO C=C(CC)C[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001171916863 1049819582 /nfs/dbraw/zinc/81/95/82/1049819582.db2.gz RVNLUMHJPJIJFG-GOSISDBHSA-N 1 0 336.520 4.312 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)C2(c3ccccc3)CCCCCC2)CC1 ZINC001136669453 1049821553 /nfs/dbraw/zinc/82/15/53/1049821553.db2.gz DQOKIHWQLDQREM-UHFFFAOYSA-N 1 0 340.511 4.045 20 30 EIEDRO CC1(C)C[C@H](N[C@H](C#N)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC001171961589 1049824024 /nfs/dbraw/zinc/82/40/24/1049824024.db2.gz AQEITWBLZPPROU-NHCUHLMSSA-N 1 0 333.479 4.284 20 30 EIEDRO CC1(C)C[C@@H](NCC2(C#N)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171964840 1049826703 /nfs/dbraw/zinc/82/67/03/1049826703.db2.gz NHAAVWTWCZRGAB-IBGZPJMESA-N 1 0 325.500 4.103 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC000813879931 1049830933 /nfs/dbraw/zinc/83/09/33/1049830933.db2.gz SUPHYTQHIHWMCY-DLBZAZTESA-N 1 0 334.504 4.110 20 30 EIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171941520 1049831115 /nfs/dbraw/zinc/83/11/15/1049831115.db2.gz XSWWSTJARGDQLK-ZGGTZUKQSA-N 1 0 345.483 4.414 20 30 EIEDRO CC1(C)C[C@@H](NCc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001171972086 1049834385 /nfs/dbraw/zinc/83/43/85/1049834385.db2.gz NTJGGHWLDCHXFX-NRFANRHFSA-N 1 0 333.479 4.091 20 30 EIEDRO CC1(C)CC(=O)C=C(N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983732 1049840067 /nfs/dbraw/zinc/84/00/67/1049840067.db2.gz PYNWZEYDVMDKDV-GOSISDBHSA-N 1 0 340.511 4.292 20 30 EIEDRO N#C[C@@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC001172064546 1049850733 /nfs/dbraw/zinc/85/07/33/1049850733.db2.gz HCKZMSMNWNSXET-BXXSPATCSA-N 1 0 345.490 4.427 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC(=O)c1ccc(Cl)c(Cl)c1 ZINC001172301852 1049873272 /nfs/dbraw/zinc/87/32/72/1049873272.db2.gz YFFOWBAMMMQNNV-LBPRGKRZSA-N 1 0 347.245 4.269 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1cc(CC[NH3+])c2c1cccc2Cl ZINC001172305849 1049874124 /nfs/dbraw/zinc/87/41/24/1049874124.db2.gz VIHFGEZPOKCQAK-AWEZNQCLSA-N 1 0 337.854 4.471 20 30 EIEDRO COc1cccc(CC2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172310686 1049874484 /nfs/dbraw/zinc/87/44/84/1049874484.db2.gz HRZZLXCDKYPQEZ-SFHVURJKSA-N 1 0 348.490 4.453 20 30 EIEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172310587 1049875040 /nfs/dbraw/zinc/87/50/40/1049875040.db2.gz GITNBRMFVPZTKT-GCJKJVERSA-N 1 0 348.490 4.453 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001172319308 1049877504 /nfs/dbraw/zinc/87/75/04/1049877504.db2.gz MJGDZYXNNUSXJC-GOSISDBHSA-N 1 0 334.463 4.170 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCOc1ccc(Cl)cc1 ZINC001172295913 1049881486 /nfs/dbraw/zinc/88/14/86/1049881486.db2.gz VSKILUKQXQEBNV-OAHLLOKOSA-N 1 0 328.843 4.201 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1OC(F)(F)F ZINC001172292942 1049881903 /nfs/dbraw/zinc/88/19/03/1049881903.db2.gz SDCOVJVRLLZZIO-CYBMUJFWSA-N 1 0 334.341 4.178 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1cncc(Cl)c1)C1CC1 ZINC001172299427 1049882699 /nfs/dbraw/zinc/88/26/99/1049882699.db2.gz KNUIJLYVULMNMI-BFUOFWGJSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC001172298250 1049882948 /nfs/dbraw/zinc/88/29/48/1049882948.db2.gz UVNLHVAMISHBOK-QGZVFWFLSA-N 1 0 327.431 4.341 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]CC1CCN(c2ccncn2)CC1 ZINC001172351304 1049892231 /nfs/dbraw/zinc/89/22/31/1049892231.db2.gz SSMRDSGHDTZLDW-LJQANCHMSA-N 1 0 332.536 4.422 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccccc1S(C)(=O)=O ZINC001172352166 1049892383 /nfs/dbraw/zinc/89/23/83/1049892383.db2.gz ZOSCQSPBGTXLRU-KRWDZBQOSA-N 1 0 325.518 4.319 20 30 EIEDRO CC[C@@H](C)OCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001172352567 1049892498 /nfs/dbraw/zinc/89/24/98/1049892498.db2.gz SEACTEZHVNPWEC-QWHCGFSZSA-N 1 0 328.378 4.260 20 30 EIEDRO CCCCCCC[C@H](CC)[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001172356304 1049894160 /nfs/dbraw/zinc/89/41/60/1049894160.db2.gz VWNLKXCDRDTYTA-ICSRJNTNSA-N 1 0 330.520 4.270 20 30 EIEDRO C=C[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC001136812370 1049894856 /nfs/dbraw/zinc/89/48/56/1049894856.db2.gz CYDKLVVAWDBKCF-DYXWJJEUSA-N 1 0 340.511 4.069 20 30 EIEDRO CCCCCCC[C@H](CC)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001172359303 1049895199 /nfs/dbraw/zinc/89/51/99/1049895199.db2.gz VJFUCBOTCPKMFX-ZDUSSCGKSA-N 1 0 332.414 4.252 20 30 EIEDRO C[C@H](Cc1ccccc1)[NH+]1CCC(Nc2cccc(OCC#N)c2)CC1 ZINC000824120274 1049898310 /nfs/dbraw/zinc/89/83/10/1049898310.db2.gz XOYFVWJRDIFNDH-GOSISDBHSA-N 1 0 349.478 4.096 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C[C@]1(C)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001172476404 1049909324 /nfs/dbraw/zinc/90/93/24/1049909324.db2.gz KZOKGEQSJNXVDJ-APWZRJJASA-N 1 0 337.508 4.086 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC001172479092 1049909671 /nfs/dbraw/zinc/90/96/71/1049909671.db2.gz GVGLTJMGVUIVTL-KRWDZBQOSA-N 1 0 345.487 4.096 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001172486804 1049910776 /nfs/dbraw/zinc/91/07/76/1049910776.db2.gz DLCIZFRQUVKBDI-GOEBONIOSA-N 1 0 329.444 4.155 20 30 EIEDRO C=C(C)C[N@@H+](CC)[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2C1 ZINC001172530791 1049920571 /nfs/dbraw/zinc/92/05/71/1049920571.db2.gz IDNGUXIOELSQDN-ACRUOGEOSA-N 1 0 340.511 4.215 20 30 EIEDRO Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1[C@H](C)CCCC#N ZINC001172491878 1049921364 /nfs/dbraw/zinc/92/13/64/1049921364.db2.gz HKHPQUSMZMXEDB-MSOLQXFVSA-N 1 0 327.472 4.179 20 30 EIEDRO C[C@@H](CCCC#N)[N@H+](C)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001172499079 1049922724 /nfs/dbraw/zinc/92/27/24/1049922724.db2.gz AMVMSKCNCWQFBJ-IBGZPJMESA-N 1 0 347.506 4.474 20 30 EIEDRO CCCC[C@@H]1C[N@@H+]([C@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172498440 1049922892 /nfs/dbraw/zinc/92/28/92/1049922892.db2.gz MWLAXGCKZLCWMS-IAGOWNOFSA-N 1 0 337.508 4.180 20 30 EIEDRO COc1ccc(CN2CCCC[C@H]2C[N@H+](C)[C@@H](C)CCCC#N)cc1 ZINC001172498358 1049922941 /nfs/dbraw/zinc/92/29/41/1049922941.db2.gz MCEYKAPWRPKMFS-ICSRJNTNSA-N 1 0 343.515 4.064 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001172502079 1049923086 /nfs/dbraw/zinc/92/30/86/1049923086.db2.gz NMVCOUQMDIYHGJ-HXUWFJFHSA-N 1 0 325.585 4.131 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC001172502377 1049923235 /nfs/dbraw/zinc/92/32/35/1049923235.db2.gz JBUBAUIJNWKPMI-QGZVFWFLSA-N 1 0 325.541 4.251 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+]CC1(C(=O)OC)CCOCC1 ZINC001172501813 1049923263 /nfs/dbraw/zinc/92/32/63/1049923263.db2.gz KLZMDXOPZQZSPK-QGZVFWFLSA-N 1 0 327.509 4.075 20 30 EIEDRO Cc1ccc(-c2noc(C3CC[NH+]([C@H](C)CCCC#N)CC3)n2)cc1 ZINC001172500408 1049923402 /nfs/dbraw/zinc/92/34/02/1049923402.db2.gz NHEJIHVFRXRKJY-MRXNPFEDSA-N 1 0 338.455 4.307 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)NCC)CC1 ZINC001172506091 1049924543 /nfs/dbraw/zinc/92/45/43/1049924543.db2.gz NJLOFXYAUWCZJD-QGZVFWFLSA-N 1 0 325.541 4.299 20 30 EIEDRO CCCCCCC[C@H](CCC)[N@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001172510476 1049925661 /nfs/dbraw/zinc/92/56/61/1049925661.db2.gz CWGBHOMJYNSMBJ-MSOLQXFVSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001172510968 1049926529 /nfs/dbraw/zinc/92/65/29/1049926529.db2.gz KVYLDKGPZRFRTF-QWFCFKBJSA-N 1 0 349.519 4.107 20 30 EIEDRO CCCCCCC[C@H](CCC)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001172510730 1049927007 /nfs/dbraw/zinc/92/70/07/1049927007.db2.gz IHNLDKNRUQVUCH-UXHICEINSA-N 1 0 348.579 4.406 20 30 EIEDRO CCCCCCC[C@H](CCC)[N@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172510478 1049927282 /nfs/dbraw/zinc/92/72/82/1049927282.db2.gz CWGBHOMJYNSMBJ-ROUUACIJSA-N 1 0 335.536 4.495 20 30 EIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172560442 1049933081 /nfs/dbraw/zinc/93/30/81/1049933081.db2.gz IOVDNYZUAUNMDL-CZYKHXBRSA-N 1 0 341.495 4.149 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C2)C1 ZINC001172651930 1049956077 /nfs/dbraw/zinc/95/60/77/1049956077.db2.gz UMAOLQGTNHLSAH-QRVBRYPASA-N 1 0 348.531 4.290 20 30 EIEDRO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248776380 1050077561 /nfs/dbraw/zinc/07/75/61/1050077561.db2.gz HOYVDGQTOURWFN-ARKSPBFVSA-N 1 0 349.881 4.286 20 30 EIEDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)N2CCCC2)c1 ZINC000181401368 1050116036 /nfs/dbraw/zinc/11/60/36/1050116036.db2.gz ZPDSRQQWBQONPA-HTAPYJJXSA-N 1 0 349.478 4.055 20 30 EIEDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N2CCCC2)c1 ZINC000181401467 1050116329 /nfs/dbraw/zinc/11/63/29/1050116329.db2.gz GNJGLWZHXUWMGV-VGOFRKELSA-N 1 0 349.478 4.055 20 30 EIEDRO COC(=O)[C@H]1CCC[C@@H]([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001172791751 1050157698 /nfs/dbraw/zinc/15/76/98/1050157698.db2.gz NBYHFDGRCOUXSE-PKOBYXMFSA-N 1 0 334.504 4.437 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cccc(C#N)c1 ZINC000181519173 1050168774 /nfs/dbraw/zinc/16/87/74/1050168774.db2.gz WWBOEBNDISPPOI-QGZVFWFLSA-N 1 0 334.467 4.040 20 30 EIEDRO C[C@@H](Cc1c(F)cccc1Cl)[NH2+]CCCOc1cccc(C#N)c1 ZINC001172852951 1050190885 /nfs/dbraw/zinc/19/08/85/1050190885.db2.gz WSKXNWYJFOITOS-AWEZNQCLSA-N 1 0 346.833 4.340 20 30 EIEDRO C[C@H](CSc1ccc(Cl)cc1)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001172874750 1050213578 /nfs/dbraw/zinc/21/35/78/1050213578.db2.gz IKJCRBSDHPFOQZ-GFCCVEGCSA-N 1 0 329.856 4.098 20 30 EIEDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC001177464921 1050215185 /nfs/dbraw/zinc/21/51/85/1050215185.db2.gz YIDKUFWLJRTWFQ-GOSISDBHSA-N 1 0 334.463 4.416 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000091069126 1050226752 /nfs/dbraw/zinc/22/67/52/1050226752.db2.gz CUILOTRITDZFNM-HZPDHXFCSA-N 1 0 336.819 4.032 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3cc(F)c(F)c(C#N)c3)cc2)CC1 ZINC001212691266 1050240401 /nfs/dbraw/zinc/24/04/01/1050240401.db2.gz HWKKEHIGVJGRFD-UHFFFAOYSA-N 1 0 327.378 4.389 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(C)(C)CC2CCC2)C[C@H]1C#N ZINC001172974431 1050251633 /nfs/dbraw/zinc/25/16/33/1050251633.db2.gz PIRHPLWXCACKST-SJORKVTESA-N 1 0 349.519 4.084 20 30 EIEDRO CCCC1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172980740 1050253308 /nfs/dbraw/zinc/25/33/08/1050253308.db2.gz FWYKUQDNZALEDV-FOIPXRHGSA-N 1 0 349.519 4.227 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001173089497 1050281836 /nfs/dbraw/zinc/28/18/36/1050281836.db2.gz XGKAJBOURPERDJ-DZGCQCFKSA-N 1 0 326.362 4.142 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001173084572 1050296476 /nfs/dbraw/zinc/29/64/76/1050296476.db2.gz BIHRIBRKNKBTLL-AWEZNQCLSA-N 1 0 348.368 4.220 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(CC#N)CC1 ZINC001173083803 1050296971 /nfs/dbraw/zinc/29/69/71/1050296971.db2.gz QKUCWTMEKKNGAL-CYBMUJFWSA-N 1 0 326.362 4.142 20 30 EIEDRO CC[NH+](CC)C1CCC(N[C@](C)(C#N)c2ccccc2Cl)CC1 ZINC001173104276 1050305995 /nfs/dbraw/zinc/30/59/95/1050305995.db2.gz MAUXMMQLOWBIAY-LADRWXRNSA-N 1 0 333.907 4.321 20 30 EIEDRO COc1cc(C[NH2+]Cc2cccc(OCC#N)c2)cc2ccccc21 ZINC001177840467 1050313139 /nfs/dbraw/zinc/31/31/39/1050313139.db2.gz OPCZKHVPWBXVHZ-UHFFFAOYSA-N 1 0 332.403 4.041 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]C[C@H](CC)Oc1ccccc1Cl ZINC001177949601 1050345081 /nfs/dbraw/zinc/34/50/81/1050345081.db2.gz SJZOOCRCCPEJEU-KRWDZBQOSA-N 1 0 343.854 4.299 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CCC(CC)([NH+]2CCC2)CC1)c1ccccc1 ZINC001178110454 1050374986 /nfs/dbraw/zinc/37/49/86/1050374986.db2.gz XHNXDPCXSWROMB-HXUWFJFHSA-N 1 0 340.511 4.213 20 30 EIEDRO CCCC[C@@H](CC(C)C)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001173255623 1050381253 /nfs/dbraw/zinc/38/12/53/1050381253.db2.gz LYHWPYCIBSJOLB-IBGZPJMESA-N 1 0 328.504 4.070 20 30 EIEDRO C=C(C)COCC[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC001178148010 1050388803 /nfs/dbraw/zinc/38/88/03/1050388803.db2.gz IYLJQYCHCRDCBW-UHFFFAOYSA-N 1 0 339.483 4.348 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)Cc2ccccc2Br)cc1 ZINC001178147520 1050389599 /nfs/dbraw/zinc/38/95/99/1050389599.db2.gz FABBVLFMGQRHFW-AWEZNQCLSA-N 1 0 328.253 4.151 20 30 EIEDRO CCc1noc(-c2ccc(CC[NH2+][C@@H](C)c3cccc(C#N)c3)cc2)n1 ZINC000181934411 1050391464 /nfs/dbraw/zinc/39/14/64/1050391464.db2.gz DKTFYVNXXUUXBH-HNNXBMFYSA-N 1 0 346.434 4.064 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000181956298 1050397263 /nfs/dbraw/zinc/39/72/63/1050397263.db2.gz QAXNVTUPWVHIKO-KXBFYZLASA-N 1 0 349.434 4.099 20 30 EIEDRO CCCCCCCC[C@@H](CCC)[NH2+]CC1CCS(=O)(=O)CC1 ZINC001173310162 1050403502 /nfs/dbraw/zinc/40/35/02/1050403502.db2.gz QWYLORRLEAIUPN-GOSISDBHSA-N 1 0 331.566 4.320 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001173308946 1050403624 /nfs/dbraw/zinc/40/36/24/1050403624.db2.gz QCZSQKDDIKLLFH-UHFFFAOYSA-N 1 0 345.483 4.245 20 30 EIEDRO CCCCCCCC[C@H](CCC)NC1(C(=O)OC)CC[NH+](C)CC1 ZINC001173308806 1050404283 /nfs/dbraw/zinc/40/42/83/1050404283.db2.gz CMCVLMQKWUYJIG-SFHVURJKSA-N 1 0 340.552 4.133 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001173312399 1050406057 /nfs/dbraw/zinc/40/60/57/1050406057.db2.gz YWACWWDDXHMNQA-UHFFFAOYSA-N 1 0 328.500 4.280 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC001173312158 1050406140 /nfs/dbraw/zinc/40/61/40/1050406140.db2.gz VLWJOHSXVTWVEX-UHFFFAOYSA-N 1 0 331.353 4.448 20 30 EIEDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cccc(C#N)c1)O[C@@H](C)C2 ZINC000181995709 1050413400 /nfs/dbraw/zinc/41/34/00/1050413400.db2.gz XWLTZWOJZWAGDO-GJZGRUSLSA-N 1 0 336.435 4.131 20 30 EIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001173284934 1050413498 /nfs/dbraw/zinc/41/34/98/1050413498.db2.gz LQYAIFAFRPGYDH-MSOLQXFVSA-N 1 0 331.566 4.320 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000618568446 1050416613 /nfs/dbraw/zinc/41/66/13/1050416613.db2.gz UAJZEDZFTXQSQB-TWOQFEAHSA-N 1 0 348.450 4.067 20 30 EIEDRO C=CCOC1CCC([N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001173323658 1050418271 /nfs/dbraw/zinc/41/82/71/1050418271.db2.gz FXRKUTBMBLQQJA-SAGYGOJTSA-N 1 0 346.902 4.117 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 ZINC001173330856 1050419415 /nfs/dbraw/zinc/41/94/15/1050419415.db2.gz WIGUJBFNVCXWTG-UHFFFAOYSA-N 1 0 336.361 4.430 20 30 EIEDRO N#CCC1CCC([NH2+]CCc2ccc(OCc3ccccn3)cc2)CC1 ZINC001173328519 1050419568 /nfs/dbraw/zinc/41/95/68/1050419568.db2.gz CXLBVSASWFGYQQ-UHFFFAOYSA-N 1 0 349.478 4.265 20 30 EIEDRO N#CCC1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173330508 1050419758 /nfs/dbraw/zinc/41/97/58/1050419758.db2.gz RSCTTXPJCGTPHV-IJGSQOGDSA-N 1 0 327.255 4.089 20 30 EIEDRO C[C@H]([NH2+]C1CCC(CC#N)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001173330322 1050420135 /nfs/dbraw/zinc/42/01/35/1050420135.db2.gz PFLYIDZFSNJMAT-HJOIGYKYSA-N 1 0 349.519 4.084 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H]2CCOc3cc(Br)ccc32)CC1 ZINC001173329729 1050420420 /nfs/dbraw/zinc/42/04/20/1050420420.db2.gz AFQUACJHEUKINS-LDZOIKDWSA-N 1 0 349.272 4.335 20 30 EIEDRO N#CCC1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC001173329836 1050420686 /nfs/dbraw/zinc/42/06/86/1050420686.db2.gz OBQDPOAASSHOHM-UHFFFAOYSA-N 1 0 345.918 4.366 20 30 EIEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2C1CCC(CC#N)CC1 ZINC001173330162 1050420752 /nfs/dbraw/zinc/42/07/52/1050420752.db2.gz WUUDGVOIZGSXKT-UHFFFAOYSA-N 1 0 325.456 4.105 20 30 EIEDRO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C1CCC(CC#N)CC1 ZINC001173331017 1050422481 /nfs/dbraw/zinc/42/24/81/1050422481.db2.gz JTBIKSFVCOGOKM-PBHCIXSXSA-N 1 0 349.519 4.084 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cncn2Cc2cccc(Cl)c2)CC1 ZINC001173333439 1050422677 /nfs/dbraw/zinc/42/26/77/1050422677.db2.gz LOABEIZEEGKCOG-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO N#CCC1CCC([NH2+]CCc2ccc(Br)s2)CC1 ZINC001173332052 1050422961 /nfs/dbraw/zinc/42/29/61/1050422961.db2.gz HOCBLNLJZIMLLT-UHFFFAOYSA-N 1 0 327.291 4.115 20 30 EIEDRO N#CCC1CCC([NH2+]C2(Cc3ccccc3Cl)CCOCC2)CC1 ZINC001173331997 1050423178 /nfs/dbraw/zinc/42/31/78/1050423178.db2.gz GJBMRCPRMZCSBW-UHFFFAOYSA-N 1 0 346.902 4.494 20 30 EIEDRO C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173332283 1050423493 /nfs/dbraw/zinc/42/34/93/1050423493.db2.gz YRVMTWBZKMPAQP-ZLZJIPBDSA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCC(CC#N)CC1 ZINC001173334602 1050424391 /nfs/dbraw/zinc/42/43/91/1050424391.db2.gz VGWQKNDMVZFPFH-CBCUQQMYSA-N 1 0 335.289 4.442 20 30 EIEDRO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173336877 1050424590 /nfs/dbraw/zinc/42/45/90/1050424590.db2.gz PWNZJJHKVSFGBS-DAWZGUTISA-N 1 0 349.519 4.180 20 30 EIEDRO CCOc1cc2c(cc1OCC)C[N@@H+](C1CCC(CC#N)CC1)CC2 ZINC001173336781 1050424652 /nfs/dbraw/zinc/42/46/52/1050424652.db2.gz LJFPPIWXZXEUNR-UHFFFAOYSA-N 1 0 342.483 4.315 20 30 EIEDRO C[N@H+](C1CCC(CC#N)CC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001173336802 1050425704 /nfs/dbraw/zinc/42/57/04/1050425704.db2.gz MKAQBONEGXBWSX-QXINMDOSSA-N 1 0 349.519 4.227 20 30 EIEDRO CN(Cc1ccccc1F)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173336793 1050425931 /nfs/dbraw/zinc/42/59/31/1050425931.db2.gz LYEBDLOBFBJNDX-UHFFFAOYSA-N 1 0 343.490 4.194 20 30 EIEDRO CCOC(=O)C1([N@H+](Cc2ccccc2)C2CCC(CC#N)CC2)CC1 ZINC001173337689 1050427240 /nfs/dbraw/zinc/42/72/40/1050427240.db2.gz AACVIERRCWNXBJ-UHFFFAOYSA-N 1 0 340.467 4.057 20 30 EIEDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173339759 1050427533 /nfs/dbraw/zinc/42/75/33/1050427533.db2.gz SMXYYVRYVADFNB-UHFFFAOYSA-N 1 0 337.467 4.017 20 30 EIEDRO COc1ccccc1O[C@H]1CCC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173338573 1050428684 /nfs/dbraw/zinc/42/86/84/1050428684.db2.gz FWQZKIZQKPXGMK-ABHNRTSZSA-N 1 0 328.456 4.011 20 30 EIEDRO C#Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC001186932793 1050441872 /nfs/dbraw/zinc/44/18/72/1050441872.db2.gz NGVKYCHSUBYTDR-UHFFFAOYSA-N 1 0 336.410 4.045 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3cc(O)ccc3C2)CC1 ZINC000618615617 1050442592 /nfs/dbraw/zinc/44/25/92/1050442592.db2.gz GBQFMBHZJWKUAK-QKDPSFTKSA-N 1 0 346.474 4.243 20 30 EIEDRO CC[N@@H+]1CC[C@@H](N(Cc2ccc(C#N)cc2)[C@@H](C)c2ccccc2)C1 ZINC001173368412 1050443698 /nfs/dbraw/zinc/44/36/98/1050443698.db2.gz PKPQURJAUGAHFD-PGRDOPGGSA-N 1 0 333.479 4.216 20 30 EIEDRO CC[N@@H+]1CC[C@H](N(Cc2cccc(C#N)c2)[C@@H](C)c2ccccc2)C1 ZINC001173367220 1050443789 /nfs/dbraw/zinc/44/37/89/1050443789.db2.gz FGYQNZCNWZBONR-AVRDEDQJSA-N 1 0 333.479 4.216 20 30 EIEDRO N#Cc1cccc(C2CC[NH+](C3Cc4cc(F)c(F)cc4C3)CC2)c1 ZINC001173487673 1050473640 /nfs/dbraw/zinc/47/36/40/1050473640.db2.gz QHNHEGXKNVVWOQ-UHFFFAOYSA-N 1 0 338.401 4.183 20 30 EIEDRO C=CCOc1ccc(CNCC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC001178462375 1050475079 /nfs/dbraw/zinc/47/50/79/1050475079.db2.gz CTAWNXGDCPJKLP-INIZCTEOSA-N 1 0 336.907 4.259 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000182110766 1050483237 /nfs/dbraw/zinc/48/32/37/1050483237.db2.gz AZBJEJBNTXBGGB-MJXNMMHHSA-N 1 0 326.827 4.392 20 30 EIEDRO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173586570 1050493212 /nfs/dbraw/zinc/49/32/12/1050493212.db2.gz BHMSMQOYMNQUHL-QYSSCYCTSA-N 1 0 349.519 4.132 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC001173584844 1050493283 /nfs/dbraw/zinc/49/32/83/1050493283.db2.gz NTDVWFLWZOHAQS-UHFFFAOYSA-N 1 0 332.447 4.480 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC2(Cc3ccccc3F)CCOCC2)CC1 ZINC001173591093 1050494618 /nfs/dbraw/zinc/49/46/18/1050494618.db2.gz JBZNOQUBWYGLOS-UHFFFAOYSA-N 1 0 344.474 4.227 20 30 EIEDRO Cc1ccc(F)c(CN2CCC([NH2+]C3CCC(C)(C#N)CC3)CC2)c1 ZINC001173591520 1050494787 /nfs/dbraw/zinc/49/47/87/1050494787.db2.gz LOEDOKOMNXBLKD-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cn(Cc3ccccc3Cl)cn2)CC1 ZINC001173591542 1050495407 /nfs/dbraw/zinc/49/54/07/1050495407.db2.gz UDSLUEJHVXEMTA-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO C[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173592354 1050497115 /nfs/dbraw/zinc/49/71/15/1050497115.db2.gz NCYZZIBONFCXJS-VPRUJKLYSA-N 1 0 349.519 4.084 20 30 EIEDRO COc1ccccc1S[C@@H]1CC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597630 1050499624 /nfs/dbraw/zinc/49/96/24/1050499624.db2.gz ANJLIIDVHDNSKG-KOHRHEQBSA-N 1 0 330.497 4.334 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCO[C@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001173599088 1050499761 /nfs/dbraw/zinc/49/97/61/1050499761.db2.gz ZEEWDMVHUUCUJV-ACBHZAAOSA-N 1 0 332.875 4.360 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618740998 1050500128 /nfs/dbraw/zinc/50/01/28/1050500128.db2.gz BGVKQZPDXJRZAF-IBGZPJMESA-N 1 0 336.435 4.133 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(F)ccc1N(C)C[C@@H](C)CC ZINC001178584661 1050500650 /nfs/dbraw/zinc/50/06/50/1050500650.db2.gz NLJKGMPYYMAEGF-FVJLSDCUSA-N 1 0 348.506 4.379 20 30 EIEDRO CC(C)c1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000618741642 1050500731 /nfs/dbraw/zinc/50/07/31/1050500731.db2.gz ISQXNMFCBYIOEE-LJQANCHMSA-N 1 0 335.407 4.367 20 30 EIEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618742702 1050501444 /nfs/dbraw/zinc/50/14/44/1050501444.db2.gz PUMNKMNGKVBLCN-FQEVSTJZSA-N 1 0 348.446 4.291 20 30 EIEDRO COc1cccc(C[C@@H]2CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173601074 1050501965 /nfs/dbraw/zinc/50/19/65/1050501965.db2.gz OGJBFBAYNDMGRT-JSOIOWGOSA-N 1 0 326.484 4.422 20 30 EIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000618779161 1050520581 /nfs/dbraw/zinc/52/05/81/1050520581.db2.gz BPMGCZKASRWBSI-IBGZPJMESA-N 1 0 328.843 4.340 20 30 EIEDRO CCOC(=O)C[C@@H]1CC[C@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001173658916 1050521516 /nfs/dbraw/zinc/52/15/16/1050521516.db2.gz SLCMITGOWQSIPY-AEFFLSMTSA-N 1 0 348.874 4.178 20 30 EIEDRO C=CCCCCCC[NH2+]Cc1c(C)nn(-c2ccccn2)c1Cl ZINC001178688350 1050531005 /nfs/dbraw/zinc/53/10/05/1050531005.db2.gz IMTDARHYPPTHHZ-UHFFFAOYSA-N 1 0 332.879 4.455 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000763502466 1050531355 /nfs/dbraw/zinc/53/13/55/1050531355.db2.gz NHTQQXGPTPXNSG-KRWDZBQOSA-N 1 0 347.245 4.177 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805451 1050532633 /nfs/dbraw/zinc/53/26/33/1050532633.db2.gz OGZMQAOTVJDYGA-QRQCRPRQSA-N 1 0 342.446 4.391 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000618805440 1050534220 /nfs/dbraw/zinc/53/42/20/1050534220.db2.gz OGZMQAOTVJDYGA-IVZQSRNASA-N 1 0 342.446 4.391 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)CC3 ZINC000618802813 1050534346 /nfs/dbraw/zinc/53/43/46/1050534346.db2.gz FXLKPBDWMPPWCM-LAUBAEHRSA-N 1 0 341.458 4.482 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cccc(OC(F)F)c1 ZINC000618807413 1050535716 /nfs/dbraw/zinc/53/57/16/1050535716.db2.gz UKFLKAJIVAXACH-SGTLLEGYSA-N 1 0 328.362 4.498 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3cc(C#N)ccc31)CCS2 ZINC000618807378 1050535936 /nfs/dbraw/zinc/53/59/36/1050535936.db2.gz YPILLCSZWDQCER-RTBURBONSA-N 1 0 336.460 4.381 20 30 EIEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001178824381 1050565089 /nfs/dbraw/zinc/56/50/89/1050565089.db2.gz ZQEDMHZXPFZOPT-IEBWSBKVSA-N 1 0 336.483 4.265 20 30 EIEDRO CC(C)(C)C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000775132700 1050579579 /nfs/dbraw/zinc/57/95/79/1050579579.db2.gz AYQFIUMTXKSEDQ-VQTJNVASSA-N 1 0 340.442 4.498 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001178939826 1050594164 /nfs/dbraw/zinc/59/41/64/1050594164.db2.gz UZEMHTDHKGMNKX-QGZVFWFLSA-N 1 0 325.843 4.265 20 30 EIEDRO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC001178945549 1050595107 /nfs/dbraw/zinc/59/51/07/1050595107.db2.gz VBXSNOOCJZOJRA-HXUWFJFHSA-N 1 0 331.463 4.476 20 30 EIEDRO C=C[C@H](CO)[NH2+]Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 ZINC001179217283 1050652371 /nfs/dbraw/zinc/65/23/71/1050652371.db2.gz XYYSNLQWSHPKHY-CYBMUJFWSA-N 1 0 338.234 4.422 20 30 EIEDRO C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1O ZINC001179494888 1050711736 /nfs/dbraw/zinc/71/17/36/1050711736.db2.gz YBPMHXRZRGTQCM-INIZCTEOSA-N 1 0 346.434 4.020 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(Br)cn1 ZINC000619465912 1050790702 /nfs/dbraw/zinc/79/07/02/1050790702.db2.gz GKMYMBDDWVKBRV-APPDUMDISA-N 1 0 342.240 4.054 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1OCCc2ccccc21 ZINC000619508478 1050794369 /nfs/dbraw/zinc/79/43/69/1050794369.db2.gz ZRVLCPYLOIMSKI-FGZHOGPDSA-N 1 0 332.447 4.229 20 30 EIEDRO COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508318 1050794787 /nfs/dbraw/zinc/79/47/87/1050794787.db2.gz XDDDNOSIMACETI-HXUWFJFHSA-N 1 0 335.451 4.136 20 30 EIEDRO Cc1ccc2nc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cn2c1 ZINC000619508280 1050797471 /nfs/dbraw/zinc/79/74/71/1050797471.db2.gz LIORKLCDOUOOQI-HXUWFJFHSA-N 1 0 330.435 4.072 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc4ncccc4c3)CC2)cc1 ZINC000182748820 1050809064 /nfs/dbraw/zinc/80/90/64/1050809064.db2.gz GERANZFCDKUJRM-UHFFFAOYSA-N 1 0 342.446 4.183 20 30 EIEDRO CC[C@H](C)Oc1cc(C[NH2+]CC2CCC(C#N)CC2)ccc1OC ZINC000619655165 1050846844 /nfs/dbraw/zinc/84/68/44/1050846844.db2.gz JSWXYHDOJVNJRP-GTPINHCMSA-N 1 0 330.472 4.292 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000619674238 1050850700 /nfs/dbraw/zinc/85/07/00/1050850700.db2.gz TXRROSTUSPHLGE-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO Cn1c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc2ccccc21 ZINC001180132427 1050881747 /nfs/dbraw/zinc/88/17/47/1050881747.db2.gz DYKIGBMWMZLZAS-UHFFFAOYSA-N 1 0 327.431 4.339 20 30 EIEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754816 1050883305 /nfs/dbraw/zinc/88/33/05/1050883305.db2.gz LFAJCTHVRDEPEM-AWEZNQCLSA-N 1 0 341.842 4.027 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000619755073 1050886046 /nfs/dbraw/zinc/88/60/46/1050886046.db2.gz SHDLLYPFPNOZKJ-KRWDZBQOSA-N 1 0 344.842 4.470 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cc(F)cc3cccnc32)cc1Cl ZINC000619748507 1050893625 /nfs/dbraw/zinc/89/36/25/1050893625.db2.gz NCCDFASRIBZYQF-UHFFFAOYSA-N 1 0 325.774 4.189 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1Cl ZINC000619748425 1050894175 /nfs/dbraw/zinc/89/41/75/1050894175.db2.gz KZWZQBQCBWBYJW-UHFFFAOYSA-N 1 0 340.789 4.031 20 30 EIEDRO CC(C)C1CCC(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC001180178094 1050895624 /nfs/dbraw/zinc/89/56/24/1050895624.db2.gz OINZWILOQDHKPG-UHFFFAOYSA-N 1 0 343.490 4.282 20 30 EIEDRO COc1cc(OC)cc(C2(F)CC[NH+](CC(C)(C)CCC#N)CC2)c1 ZINC000619846420 1050927652 /nfs/dbraw/zinc/92/76/52/1050927652.db2.gz YAKYLZCOAMBRBF-UHFFFAOYSA-N 1 0 348.462 4.294 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2ccc(OC(F)F)cc2)CC1 ZINC000153029969 1050937287 /nfs/dbraw/zinc/93/72/87/1050937287.db2.gz PRIPSDGWWDSALE-GOSISDBHSA-N 1 0 338.442 4.369 20 30 EIEDRO CC[C@@H](C[NH+]1CCN(c2cccc(F)c2C#N)CC1)c1ccccc1 ZINC001180271117 1050942078 /nfs/dbraw/zinc/94/20/78/1050942078.db2.gz CUTRZYGHFQVYEW-KRWDZBQOSA-N 1 0 337.442 4.013 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1 ZINC001189267945 1050953232 /nfs/dbraw/zinc/95/32/32/1050953232.db2.gz NGPKIXCMLQXCIH-LJQANCHMSA-N 1 0 343.515 4.081 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@H]([N@@H+](C)C(C)C)C2)c1 ZINC001189268034 1050953768 /nfs/dbraw/zinc/95/37/68/1050953768.db2.gz QKGPTVHAPDRUTC-IBGZPJMESA-N 1 0 343.515 4.079 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NCCCC[NH+](CC)CC)c1 ZINC001189275487 1050956265 /nfs/dbraw/zinc/95/62/65/1050956265.db2.gz YPKITMJETIUBSJ-UHFFFAOYSA-N 1 0 345.531 4.376 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(O[C@H](C)COC)cc1)[C@H]1CCc2ccccc21 ZINC001180296817 1050960204 /nfs/dbraw/zinc/96/02/04/1050960204.db2.gz MBZRDBRSXQPKEX-JPYJTQIMSA-N 1 0 349.474 4.223 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001180326765 1050970042 /nfs/dbraw/zinc/97/00/42/1050970042.db2.gz QTBINWMTXXYFCS-LRDDRELGSA-N 1 0 341.282 4.433 20 30 EIEDRO CCC(CC)(CNC(=O)OC(C)(C)C)C[N@H+](CCC#N)CC(C)C ZINC001180402102 1050979368 /nfs/dbraw/zinc/97/93/68/1050979368.db2.gz AUDRQLHSZPZWLW-UHFFFAOYSA-N 1 0 339.524 4.189 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620193463 1051058366 /nfs/dbraw/zinc/05/83/66/1051058366.db2.gz HSDXSBXTHINPTE-PZJWPPBQSA-N 1 0 340.511 4.007 20 30 EIEDRO CCCCC[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000775320865 1051060970 /nfs/dbraw/zinc/06/09/70/1051060970.db2.gz VQGQKTGLKIKQPZ-OAQYLSRUSA-N 1 0 349.478 4.086 20 30 EIEDRO C=CC[N@H+](Cc1ccc(I)cc1)C(C)(C)C ZINC001174641832 1051095619 /nfs/dbraw/zinc/09/56/19/1051095619.db2.gz NQYMXHLZLXRBET-UHFFFAOYSA-N 1 0 329.225 4.078 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc(OC)c1O ZINC000775361196 1051130083 /nfs/dbraw/zinc/13/00/83/1051130083.db2.gz BEVASUSDRCZVQK-OAHLLOKOSA-N 1 0 340.467 4.046 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775366056 1051135307 /nfs/dbraw/zinc/13/53/07/1051135307.db2.gz ZFTUFRIQFKHNTD-MRXNPFEDSA-N 1 0 340.467 4.177 20 30 EIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC001174705598 1051140831 /nfs/dbraw/zinc/14/08/31/1051140831.db2.gz XEGOIAKQFKSEKM-OAHLLOKOSA-N 1 0 333.273 4.333 20 30 EIEDRO COc1ccc(C[N@H+](C[C@H](C)CCC#N)CC2CCC2)c(OC)c1 ZINC001181154219 1051169390 /nfs/dbraw/zinc/16/93/90/1051169390.db2.gz MZUBUNOCRYCWMK-MRXNPFEDSA-N 1 0 330.472 4.246 20 30 EIEDRO CCCCCCCCCC[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC001174779975 1051172258 /nfs/dbraw/zinc/17/22/58/1051172258.db2.gz LOHIZZKWTHAWPU-LJQANCHMSA-N 1 0 337.529 4.386 20 30 EIEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cccc2ccccc21 ZINC001190373572 1051173045 /nfs/dbraw/zinc/17/30/45/1051173045.db2.gz BAPFZWNXQFIMQG-INIZCTEOSA-N 1 0 343.430 4.170 20 30 EIEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC001181184306 1051173341 /nfs/dbraw/zinc/17/33/41/1051173341.db2.gz GKATZWFHXOLUEY-CQSZACIVSA-N 1 0 329.481 4.068 20 30 EIEDRO C#CCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCc2ccccc21 ZINC001190529330 1051206346 /nfs/dbraw/zinc/20/63/46/1051206346.db2.gz RIPRULQYJRLVNU-LJQANCHMSA-N 1 0 340.810 4.371 20 30 EIEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C)cc2)C1=O ZINC001181360957 1051210165 /nfs/dbraw/zinc/21/01/65/1051210165.db2.gz KRUOONWREPGGKH-AZUAARDMSA-N 1 0 330.516 4.435 20 30 EIEDRO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001174873129 1051224807 /nfs/dbraw/zinc/22/48/07/1051224807.db2.gz MZUKNMRANDZFRL-MRXNPFEDSA-N 1 0 331.463 4.383 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1ccc2oc(C(=O)OC)cc2c1)c1ccccc1 ZINC000775398884 1051228351 /nfs/dbraw/zinc/22/83/51/1051228351.db2.gz NDLSBGYUKSCDRB-GOSISDBHSA-N 1 0 333.387 4.074 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1ccc2oc(C(=O)OC)cc2c1)c1ccccc1 ZINC000775398885 1051228939 /nfs/dbraw/zinc/22/89/39/1051228939.db2.gz NDLSBGYUKSCDRB-SFHVURJKSA-N 1 0 333.387 4.074 20 30 EIEDRO C#CC[C@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775400037 1051231391 /nfs/dbraw/zinc/23/13/91/1051231391.db2.gz HFKFNBBDGGWBKU-ROUUACIJSA-N 1 0 333.353 4.093 20 30 EIEDRO C=CCC1(C[NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)CCCC1 ZINC001181751712 1051296124 /nfs/dbraw/zinc/29/61/24/1051296124.db2.gz BDUWRUDFHHODCL-DLBZAZTESA-N 1 0 336.520 4.358 20 30 EIEDRO N#CC1CCC(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC001175014005 1051296138 /nfs/dbraw/zinc/29/61/38/1051296138.db2.gz CAIPHQBDOXRBNC-UHYCVJNDSA-N 1 0 339.483 4.132 20 30 EIEDRO Oc1cccc(C[N@H+](CC#Cc2ccc(Cl)cc2)CC2CC2)c1 ZINC001190895039 1051301829 /nfs/dbraw/zinc/30/18/29/1051301829.db2.gz MSRTWAGNFNPJSI-UHFFFAOYSA-N 1 0 325.839 4.309 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000775424967 1051313697 /nfs/dbraw/zinc/31/36/97/1051313697.db2.gz VPVJDTDCDYXCOD-MOPGFXCFSA-N 1 0 344.817 4.051 20 30 EIEDRO C=CC[N@H+](C[C@H]1CN(C2CCCCC2)C(=O)O1)CC1CCCCC1 ZINC001190984124 1051316735 /nfs/dbraw/zinc/31/67/35/1051316735.db2.gz IEUKOXAPMIIGTG-IBGZPJMESA-N 1 0 334.504 4.208 20 30 EIEDRO CC(C)([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc2ccccc2c1 ZINC001175045493 1051336951 /nfs/dbraw/zinc/33/69/51/1051336951.db2.gz RFVUURCVNJASGJ-OAQYLSRUSA-N 1 0 330.431 4.270 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1 ZINC001181919381 1051352521 /nfs/dbraw/zinc/35/25/21/1051352521.db2.gz CKTWJOBKSMTGTH-RTWAWAEBSA-N 1 0 335.447 4.034 20 30 EIEDRO C#C[C@@H]([NH2+][C@H](C)CCc1ccco1)c1ccc(Br)cc1 ZINC001182035448 1051377730 /nfs/dbraw/zinc/37/77/30/1051377730.db2.gz ZJWVBWTWLHCDLX-CXAGYDPISA-N 1 0 332.241 4.327 20 30 EIEDRO C#C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC001182020938 1051383678 /nfs/dbraw/zinc/38/36/78/1051383678.db2.gz QTSJZPHLQFOKCT-FGZHOGPDSA-N 1 0 348.465 4.287 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(C#N)cc1 ZINC000774195053 1051495054 /nfs/dbraw/zinc/49/50/54/1051495054.db2.gz ZYUFAFYLCYCDNJ-ZWKOTPCHSA-N 1 0 345.487 4.148 20 30 EIEDRO CCCCCCCC[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC001191635273 1051495397 /nfs/dbraw/zinc/49/53/97/1051495397.db2.gz GRXKOIFVSYWTDC-UHFFFAOYSA-N 1 0 331.504 4.401 20 30 EIEDRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@H+](CCCC(C)(C)C#N)C1 ZINC001175260128 1051497641 /nfs/dbraw/zinc/49/76/41/1051497641.db2.gz LBGUFWVTXDKXIS-MRXNPFEDSA-N 1 0 337.508 4.086 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001182325568 1051499255 /nfs/dbraw/zinc/49/92/55/1051499255.db2.gz ATOLPPDKSQQBSK-QRVBRYPASA-N 1 0 344.499 4.067 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccncc1Br ZINC001182326680 1051499793 /nfs/dbraw/zinc/49/97/93/1051499793.db2.gz KWQKFVRDSSIGGU-INIZCTEOSA-N 1 0 331.257 4.121 20 30 EIEDRO C#CCOCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001191610183 1051502474 /nfs/dbraw/zinc/50/24/74/1051502474.db2.gz HOQYMUQHPREKJJ-UHFFFAOYSA-N 1 0 325.374 4.104 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCCc3occc32)cc(OC)c1OC ZINC000774238876 1051513619 /nfs/dbraw/zinc/51/36/19/1051513619.db2.gz DRWYXLHKBLMIQI-KRWDZBQOSA-N 1 0 327.424 4.193 20 30 EIEDRO C#Cc1cccc(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)c1 ZINC001182368395 1051526467 /nfs/dbraw/zinc/52/64/67/1051526467.db2.gz DELPLAYWPLFYPE-IBGZPJMESA-N 1 0 340.264 4.078 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)[C@@H](O)c1c(F)cccc1F ZINC000774255005 1051527055 /nfs/dbraw/zinc/52/70/55/1051527055.db2.gz AJZKEMCBOJDTRJ-NLWGTHIKSA-N 1 0 344.405 4.389 20 30 EIEDRO CC[C@H]([NH2+]CCc1c[nH]c2cccc(OC)c12)c1ccc(C#N)cc1 ZINC000774356812 1051574757 /nfs/dbraw/zinc/57/47/57/1051574757.db2.gz XFMQILCFCCLBHX-SFHVURJKSA-N 1 0 333.435 4.332 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000774458728 1051600724 /nfs/dbraw/zinc/60/07/24/1051600724.db2.gz KHBNZAAGDMHXKN-SFHVURJKSA-N 1 0 339.370 4.031 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(Cl)c(N)c(Cl)c1 ZINC000774461746 1051600733 /nfs/dbraw/zinc/60/07/33/1051600733.db2.gz PSAQUNCKQHMBOL-SECBINFHSA-N 1 0 338.213 4.437 20 30 EIEDRO C[N@H+](CCc1cccc(C#N)c1)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001175530360 1051652703 /nfs/dbraw/zinc/65/27/03/1051652703.db2.gz CQIQHEUAGFLZAB-FQEVSTJZSA-N 1 0 326.484 4.305 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C1 ZINC001182603943 1051655724 /nfs/dbraw/zinc/65/57/24/1051655724.db2.gz BUMFILOFUQZLEH-IAGOWNOFSA-N 1 0 336.520 4.051 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCC[C@H]2CCC2CCCC2)c1 ZINC001192244305 1051665294 /nfs/dbraw/zinc/66/52/94/1051665294.db2.gz YNAADPJSIJBFIJ-FQEVSTJZSA-N 1 0 339.483 4.322 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](CO)c1ccccc1 ZINC001175661479 1051716971 /nfs/dbraw/zinc/71/69/71/1051716971.db2.gz OAXVMZYBYVZWGF-GOSISDBHSA-N 1 0 348.368 4.133 20 30 EIEDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCc1ccc(C#N)cc1 ZINC001182855208 1051724087 /nfs/dbraw/zinc/72/40/87/1051724087.db2.gz NVBUEJJMCRJSOE-AWEZNQCLSA-N 1 0 332.369 4.340 20 30 EIEDRO C[C@]1(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C[C@@H]1c1ccccc1 ZINC001182942403 1051747541 /nfs/dbraw/zinc/74/75/41/1051747541.db2.gz UNNFCEJRAOCVLT-FGZHOGPDSA-N 1 0 346.474 4.347 20 30 EIEDRO CC(C)([NH2+]C[C@H](O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC001175748157 1051757001 /nfs/dbraw/zinc/75/70/01/1051757001.db2.gz BBKXNAPOXOBIPI-KRWDZBQOSA-N 1 0 348.368 4.135 20 30 EIEDRO Cc1cccc(C2=CC[N@H+](CCCOc3ccc(C#N)cc3)CC2)c1 ZINC001192557430 1051759863 /nfs/dbraw/zinc/75/98/63/1051759863.db2.gz RJQPBQDPVOJDRB-UHFFFAOYSA-N 1 0 332.447 4.425 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3cc(C#N)ccc3Cl)cc2)CC1 ZINC001175781340 1051784342 /nfs/dbraw/zinc/78/43/42/1051784342.db2.gz SSKCATCFXXXYDR-UHFFFAOYSA-N 1 0 340.858 4.097 20 30 EIEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001192682171 1051789435 /nfs/dbraw/zinc/78/94/35/1051789435.db2.gz VPEGQGRELNIJHB-ZDUSSCGKSA-N 1 0 332.806 4.481 20 30 EIEDRO C#CC[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001192792046 1051817808 /nfs/dbraw/zinc/81/78/08/1051817808.db2.gz OTFVQZISNNSZDC-GOSISDBHSA-N 1 0 333.353 4.482 20 30 EIEDRO N#CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000775552587 1051832247 /nfs/dbraw/zinc/83/22/47/1051832247.db2.gz IPQPWEYMBBAKTA-NRFANRHFSA-N 1 0 347.462 4.057 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)N(C)CC1CC[NH+](C(C)C)CC1 ZINC001192927475 1051838153 /nfs/dbraw/zinc/83/81/53/1051838153.db2.gz QCDPBOSGQCCVFZ-SFHVURJKSA-N 1 0 339.568 4.497 20 30 EIEDRO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(C#N)c3)C2)[nH]n1 ZINC001175925836 1051845993 /nfs/dbraw/zinc/84/59/93/1051845993.db2.gz NIWOXOKFTHBMHP-MRXNPFEDSA-N 1 0 342.874 4.438 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC001175935266 1051848434 /nfs/dbraw/zinc/84/84/34/1051848434.db2.gz KJTHSNNXHUOHEW-CYBMUJFWSA-N 1 0 334.341 4.350 20 30 EIEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC=C(C(C)(C)C)CC1 ZINC001193022878 1051855897 /nfs/dbraw/zinc/85/58/97/1051855897.db2.gz WYJPSWYEDZDYJM-ZDUSSCGKSA-N 1 0 345.874 4.217 20 30 EIEDRO C#Cc1cccc(Nc2cc(F)ccc2OCC2CC[NH+](C)CC2)c1 ZINC001175978308 1051856607 /nfs/dbraw/zinc/85/66/07/1051856607.db2.gz YGHCUPWQGQZGRD-UHFFFAOYSA-N 1 0 338.426 4.271 20 30 EIEDRO C#CCOc1cccc(Cl)c1CN(C)CCCC[NH+]1CCCCC1 ZINC001183511354 1051860971 /nfs/dbraw/zinc/86/09/71/1051860971.db2.gz LZCZTQSYKSWUSX-UHFFFAOYSA-N 1 0 348.918 4.050 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@]2(C)Cc2ccccc2)cc1 ZINC001193069948 1051861961 /nfs/dbraw/zinc/86/19/61/1051861961.db2.gz ORKNFJRSHXJXDZ-HSZRJFAPSA-N 1 0 346.474 4.094 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1)[C@@H]1CCCO1 ZINC000775574572 1051870640 /nfs/dbraw/zinc/87/06/40/1051870640.db2.gz RAXDHNFHIDQDSV-BUKVSMQUSA-N 1 0 335.447 4.194 20 30 EIEDRO CC[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CCN1Cc1ccccc1 ZINC001193209357 1051885667 /nfs/dbraw/zinc/88/56/67/1051885667.db2.gz FXBSNBKLEURSAV-NRFANRHFSA-N 1 0 339.527 4.447 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cc2ccccc2s1)C(=O)Nc1ccccc1C#N ZINC000184352400 1051915947 /nfs/dbraw/zinc/91/59/47/1051915947.db2.gz NGOXPLNJNITUBR-KBPBESRZSA-N 1 0 349.459 4.451 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2cc(F)cc(OCc3ccccc3)c2)C1 ZINC001184023931 1051937076 /nfs/dbraw/zinc/93/70/76/1051937076.db2.gz SHFBUAYFDBLHHM-ICSRJNTNSA-N 1 0 338.426 4.229 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC001176218275 1051959976 /nfs/dbraw/zinc/95/99/76/1051959976.db2.gz ORUAPLRUNWKTIH-NRFANRHFSA-N 1 0 343.430 4.391 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC001184451739 1052015568 /nfs/dbraw/zinc/01/55/68/1052015568.db2.gz NMNRNEIWSKRCRP-IAQYHMDHSA-N 1 0 348.796 4.008 20 30 EIEDRO CC1(C)[C@@H](c2ccc(Cl)cc2)CC[N@@H+]1Cc1cncc(C#N)c1 ZINC001176373713 1052045041 /nfs/dbraw/zinc/04/50/41/1052045041.db2.gz XOLILQLWNPPIOI-GOSISDBHSA-N 1 0 325.843 4.375 20 30 EIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1OC ZINC001194093737 1052084311 /nfs/dbraw/zinc/08/43/11/1052084311.db2.gz WPGVZLYWGNBKQM-CVEARBPZSA-N 1 0 340.389 4.260 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)ccc1F ZINC001194376567 1052131366 /nfs/dbraw/zinc/13/13/66/1052131366.db2.gz JCQMWANOLVUMLY-UHFFFAOYSA-N 1 0 344.380 4.430 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(-c4ccncc4)cc3)sc2C1 ZINC001176695064 1052166498 /nfs/dbraw/zinc/16/64/98/1052166498.db2.gz WNAGOLGWUVFERS-UHFFFAOYSA-N 1 0 346.459 4.413 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000168299248 1052171048 /nfs/dbraw/zinc/17/10/48/1052171048.db2.gz LMNZYYBGRXCFPF-UHFFFAOYSA-N 1 0 337.341 4.282 20 30 EIEDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001176663288 1052172975 /nfs/dbraw/zinc/17/29/75/1052172975.db2.gz DTLZELLAPKQHMY-LJQANCHMSA-N 1 0 326.465 4.248 20 30 EIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(F)cc1Cl ZINC001194615845 1052188326 /nfs/dbraw/zinc/18/83/26/1052188326.db2.gz KZPPBINDLFEICE-ZDUSSCGKSA-N 1 0 332.806 4.470 20 30 EIEDRO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1nc(-c2cccs2)cs1 ZINC001176771936 1052194894 /nfs/dbraw/zinc/19/48/94/1052194894.db2.gz YKTOIEAXRYQKMK-ZDUSSCGKSA-N 1 0 347.509 4.241 20 30 EIEDRO C=CCCC[NH+]1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001177002706 1052216710 /nfs/dbraw/zinc/21/67/10/1052216710.db2.gz NBOQTQRIZBUTQI-KRWDZBQOSA-N 1 0 336.520 4.360 20 30 EIEDRO CCCC[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C1CCC1 ZINC000184883310 1052272567 /nfs/dbraw/zinc/27/25/67/1052272567.db2.gz LDKXKAXDZMCRRW-CXAGYDPISA-N 1 0 331.460 4.044 20 30 EIEDRO Cc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)ccc1C#N ZINC000774911023 1052279506 /nfs/dbraw/zinc/27/95/06/1052279506.db2.gz FAPPAKWVFYJTSW-WOJBJXKFSA-N 1 0 338.451 4.328 20 30 EIEDRO N#CCCn1cc(C[NH2+]C/C=C/c2ccccc2)c(-c2ccccc2)n1 ZINC000172120883 1052479277 /nfs/dbraw/zinc/47/92/77/1052479277.db2.gz MPKNWGLFUOWVRN-YRNVUSSQSA-N 1 0 342.446 4.267 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)C[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000172349844 1052491433 /nfs/dbraw/zinc/49/14/33/1052491433.db2.gz ZEWBYHQDKGOCCI-KRWDZBQOSA-N 1 0 328.500 4.070 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2SCC=C(C)C)CC1 ZINC000172843714 1052527468 /nfs/dbraw/zinc/52/74/68/1052527468.db2.gz KKIUDRANUJDEAX-UHFFFAOYSA-N 1 0 344.524 4.125 20 30 EIEDRO COc1cc(C[N@@H+]2CCC[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000072874518 1052616143 /nfs/dbraw/zinc/61/61/43/1052616143.db2.gz NYJXMZMSTSMFHE-INIZCTEOSA-N 1 0 336.435 4.130 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2cnccc2C)cc1OC ZINC000623481508 1052663391 /nfs/dbraw/zinc/66/33/91/1052663391.db2.gz IHPDDPMWGVESLB-AWEZNQCLSA-N 1 0 346.858 4.468 20 30 EIEDRO CC(C)[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1cccnc1 ZINC000177596056 1052679300 /nfs/dbraw/zinc/67/93/00/1052679300.db2.gz ADRPNVBNKSCEJW-OAQYLSRUSA-N 1 0 337.467 4.294 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccccc1 ZINC000180039903 1052775102 /nfs/dbraw/zinc/77/51/02/1052775102.db2.gz ZXNGFRNNCVUYDE-QGZVFWFLSA-N 1 0 330.378 4.200 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 ZINC000180048808 1052776083 /nfs/dbraw/zinc/77/60/83/1052776083.db2.gz JNAGKVHVPVXKRC-FQEVSTJZSA-N 1 0 336.435 4.125 20 30 EIEDRO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000180213551 1052787860 /nfs/dbraw/zinc/78/78/60/1052787860.db2.gz KTGSUFZTICLOPF-UHFFFAOYSA-N 1 0 336.479 4.261 20 30 EIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000182183175 1052918199 /nfs/dbraw/zinc/91/81/99/1052918199.db2.gz HPBODEIGQZKJMD-DLBZAZTESA-N 1 0 327.472 4.395 20 30 EIEDRO CC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1c(C)noc1C ZINC000182408099 1052930150 /nfs/dbraw/zinc/93/01/50/1052930150.db2.gz LAHHNWWHZFQNJO-INIZCTEOSA-N 1 0 336.357 4.403 20 30 EIEDRO CC(C)(C#N)CCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361035247 1052948353 /nfs/dbraw/zinc/94/83/53/1052948353.db2.gz NKSCXJDUJPVRDI-UXHICEINSA-N 1 0 325.500 4.055 20 30 EIEDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)s1 ZINC000119611166 1053077179 /nfs/dbraw/zinc/07/71/79/1053077179.db2.gz NDMRYHXDVNCUOM-OAHLLOKOSA-N 1 0 327.497 4.127 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000764432820 1053099158 /nfs/dbraw/zinc/09/91/58/1053099158.db2.gz NLHLXPMEDBGHKD-LJQANCHMSA-N 1 0 348.490 4.014 20 30 EIEDRO CCC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H](O)c1ccccc1 ZINC000850282081 1053107394 /nfs/dbraw/zinc/10/73/94/1053107394.db2.gz RTTPCNYLWLAMLM-NHCUHLMSSA-N 1 0 334.463 4.234 20 30 EIEDRO N#Cc1cc(Cl)cc(-c2cccc(C[NH2+]C3CCOCC3)c2)c1 ZINC000863979940 1053108138 /nfs/dbraw/zinc/10/81/38/1053108138.db2.gz YGVHQCBBJWXTCV-UHFFFAOYSA-N 1 0 326.827 4.147 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001194900561 1053154817 /nfs/dbraw/zinc/15/48/17/1053154817.db2.gz YDMZXPXFLXALOQ-IRXDYDNUSA-N 1 0 326.525 4.440 20 30 EIEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CCC1 ZINC001194983952 1053214985 /nfs/dbraw/zinc/21/49/85/1053214985.db2.gz NVIDRANNLREDNE-UXHICEINSA-N 1 0 338.495 4.439 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000850481065 1053254114 /nfs/dbraw/zinc/25/41/14/1053254114.db2.gz DZMZTKJROHFWPT-WDYCEAGBSA-N 1 0 328.456 4.429 20 30 EIEDRO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000383089747 1053293125 /nfs/dbraw/zinc/29/31/25/1053293125.db2.gz QCYFRCYIXLEZIZ-IBGZPJMESA-N 1 0 327.516 4.303 20 30 EIEDRO COc1cccc(C2([NH2+][C@@H](C)c3ccc(OCC#N)cc3)CCC2)c1 ZINC000850565463 1053319926 /nfs/dbraw/zinc/31/99/26/1053319926.db2.gz BZNZOIJMWMCXEO-INIZCTEOSA-N 1 0 336.435 4.328 20 30 EIEDRO C=CCn1c(-c2ccccc2C)nn(CN(C)C2CCCC2)c1=S ZINC000764865697 1053346623 /nfs/dbraw/zinc/34/66/23/1053346623.db2.gz PUDWTSBUHPMSGT-UHFFFAOYSA-N 1 0 342.512 4.407 20 30 EIEDRO CC(C)c1cccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000552067263 1053380494 /nfs/dbraw/zinc/38/04/94/1053380494.db2.gz DQZDLPNYEXZHNU-UHFFFAOYSA-N 1 0 333.479 4.440 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000776499360 1053385377 /nfs/dbraw/zinc/38/53/77/1053385377.db2.gz UTXDDZGRQKNQDQ-LJQANCHMSA-N 1 0 341.838 4.356 20 30 EIEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2C[C@H](C)C[C@H]2C)c1=S ZINC000765027299 1053418375 /nfs/dbraw/zinc/41/83/75/1053418375.db2.gz GZTWCGACDIGJEU-HZPDHXFCSA-N 1 0 342.512 4.263 20 30 EIEDRO COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1Cl ZINC000765015993 1053423666 /nfs/dbraw/zinc/42/36/66/1053423666.db2.gz USKDOWCEKRAEBK-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC3(CCc4ccccc4C3)CC2)c1F ZINC001195768779 1053474471 /nfs/dbraw/zinc/47/44/71/1053474471.db2.gz WNZDCPWPLIRULY-UHFFFAOYSA-N 1 0 334.438 4.468 20 30 EIEDRO Fc1ccc(C#CC[N@@H+]2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC001195872975 1053512156 /nfs/dbraw/zinc/51/21/56/1053512156.db2.gz HOOWQWICWDEFJU-FQEVSTJZSA-N 1 0 325.402 4.414 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccnc(Cl)c1 ZINC000765358215 1053514408 /nfs/dbraw/zinc/51/44/08/1053514408.db2.gz FBDCHGIXIDVCNQ-ZDUSSCGKSA-N 1 0 331.872 4.191 20 30 EIEDRO C#CCOCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 ZINC000851845419 1053525933 /nfs/dbraw/zinc/52/59/33/1053525933.db2.gz LOHDUCMKWNEOJR-SFHVURJKSA-N 1 0 338.451 4.252 20 30 EIEDRO C#CCOCC[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000851933451 1053535344 /nfs/dbraw/zinc/53/53/44/1053535344.db2.gz QWKRYLYCBMHVKK-GFCCVEGCSA-N 1 0 334.872 4.072 20 30 EIEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000852098240 1053547809 /nfs/dbraw/zinc/54/78/09/1053547809.db2.gz IAPPFUUTVUYNQL-BMIGLBTASA-N 1 0 346.780 4.077 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C(C(C)C)C(C)C)ccc1Cl ZINC001168541216 1053559914 /nfs/dbraw/zinc/55/99/14/1053559914.db2.gz HKQWRPHDYRIPLH-UHFFFAOYSA-N 1 0 349.906 4.165 20 30 EIEDRO C=CCC1([NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CCCC1 ZINC000865629400 1053562111 /nfs/dbraw/zinc/56/21/11/1053562111.db2.gz FGMANFZHHPCWMK-CYBMUJFWSA-N 1 0 332.435 4.013 20 30 EIEDRO CC1(C)CC[N@H+](CCC(=O)Nc2ccccc2C#N)CC(C)(C)C1 ZINC001195995881 1053564416 /nfs/dbraw/zinc/56/44/16/1053564416.db2.gz WLQSATWHIMHVDS-UHFFFAOYSA-N 1 0 327.472 4.035 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC001196056579 1053564646 /nfs/dbraw/zinc/56/46/46/1053564646.db2.gz LUVDYBBOHOTYAX-NJDAHSKKSA-N 1 0 342.527 4.267 20 30 EIEDRO C[C@]1(C2CC2)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001196055500 1053565136 /nfs/dbraw/zinc/56/51/36/1053565136.db2.gz CMMNTDHZWJIGLB-JOCHJYFZSA-N 1 0 332.447 4.226 20 30 EIEDRO C[C@@H](CCC#N)[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000852296630 1053566411 /nfs/dbraw/zinc/56/64/11/1053566411.db2.gz ORBZSNMFPYWHLR-WMZOPIPTSA-N 1 0 349.519 4.038 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000865700436 1053574180 /nfs/dbraw/zinc/57/41/80/1053574180.db2.gz IAUPLJCAQCJHHG-OQJVAOMSSA-N 1 0 349.519 4.132 20 30 EIEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000173227199 1053579188 /nfs/dbraw/zinc/57/91/88/1053579188.db2.gz GFXWCTDKZQHLHV-KSMMKXTCSA-N 1 0 349.434 4.080 20 30 EIEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000852442962 1053580134 /nfs/dbraw/zinc/58/01/34/1053580134.db2.gz IVQPMHSZBKCGLI-KZNAEPCWSA-N 1 0 338.451 4.406 20 30 EIEDRO Clc1cccc(N=NCC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000853349520 1053670493 /nfs/dbraw/zinc/67/04/93/1053670493.db2.gz ARCIDWHQPQSXGX-UHFFFAOYSA-N 1 0 328.847 4.045 20 30 EIEDRO N#CCc1cccc2c1CC[N@H+](C[C@H]1CCC3(CCCCCC3)O1)C2 ZINC001196622027 1053715526 /nfs/dbraw/zinc/71/55/26/1053715526.db2.gz BIVJXGYZOWLTDZ-HXUWFJFHSA-N 1 0 338.495 4.383 20 30 EIEDRO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@@H+](CCCCC#N)C1 ZINC000854065488 1053750727 /nfs/dbraw/zinc/75/07/27/1053750727.db2.gz NGNBEENEIPTDHT-UHFFFAOYSA-N 1 0 340.446 4.090 20 30 EIEDRO C=C(C)CC[NH+]1CCC(c2nccc(-c3ccccc3OC)n2)CC1 ZINC000854096697 1053753348 /nfs/dbraw/zinc/75/33/48/1053753348.db2.gz XHHAZRMWQHNGOZ-UHFFFAOYSA-N 1 0 337.467 4.298 20 30 EIEDRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC001196829980 1053771273 /nfs/dbraw/zinc/77/12/73/1053771273.db2.gz IIJFRBXHOOYAMJ-CZUORRHYSA-N 1 0 326.362 4.098 20 30 EIEDRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC001196829977 1053771568 /nfs/dbraw/zinc/77/15/68/1053771568.db2.gz IIJFRBXHOOYAMJ-CJNGLKHVSA-N 1 0 326.362 4.098 20 30 EIEDRO CCOCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001196888478 1053792061 /nfs/dbraw/zinc/79/20/61/1053792061.db2.gz OCNMNQHZNPSZSH-JOCHJYFZSA-N 1 0 334.463 4.393 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1noc2cc(F)ccc21 ZINC000866613104 1053806159 /nfs/dbraw/zinc/80/61/59/1053806159.db2.gz QJIJWONACVEWFV-SFHVURJKSA-N 1 0 335.382 4.396 20 30 EIEDRO C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cc2c(ccnc2Cl)o1 ZINC000866616199 1053807193 /nfs/dbraw/zinc/80/71/93/1053807193.db2.gz LCXNTFIWIBIGLD-ABAIWWIYSA-N 1 0 337.810 4.171 20 30 EIEDRO C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1cc2c(ccnc2Cl)o1 ZINC000866616206 1053807475 /nfs/dbraw/zinc/80/74/75/1053807475.db2.gz LCXNTFIWIBIGLD-NHYWBVRUSA-N 1 0 337.810 4.171 20 30 EIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000866617710 1053807502 /nfs/dbraw/zinc/80/75/02/1053807502.db2.gz NZGAPCGVRVYXGT-NRSPTQNISA-N 1 0 331.463 4.045 20 30 EIEDRO COc1ccccc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC001197212122 1053854526 /nfs/dbraw/zinc/85/45/26/1053854526.db2.gz HDADGJFMRKBWJZ-INIZCTEOSA-N 1 0 338.426 4.476 20 30 EIEDRO C=CC[C@@H]1N(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCCC1(C)C ZINC000868180539 1053882494 /nfs/dbraw/zinc/88/24/94/1053882494.db2.gz QKRFTYQXMCKTGV-KSZLIROESA-N 1 0 327.472 4.100 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137051175 1053894397 /nfs/dbraw/zinc/89/43/97/1053894397.db2.gz HRCYSBWTNDGOIR-UHFFFAOYSA-N 1 0 333.410 4.364 20 30 EIEDRO C=CCCC[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC001197378359 1053898270 /nfs/dbraw/zinc/89/82/70/1053898270.db2.gz XQVZTBXDAVASGA-SFTDATJTSA-N 1 0 327.443 4.416 20 30 EIEDRO CC1(C)[C@H](c2ccc(F)c(F)c2)CCN1Cc1nc(C#N)cs1 ZINC001197422472 1053904680 /nfs/dbraw/zinc/90/46/80/1053904680.db2.gz RDZMAVKIVFEZDB-ZDUSSCGKSA-N 1 0 333.407 4.061 20 30 EIEDRO COc1cccc([C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2(C)C)c1 ZINC001197422602 1053905373 /nfs/dbraw/zinc/90/53/73/1053905373.db2.gz TXIFHNFIYGYYKF-LJQANCHMSA-N 1 0 338.426 4.474 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(F)cc2)ccc1OC ZINC000113308829 1053917124 /nfs/dbraw/zinc/91/71/24/1053917124.db2.gz GTTWPFVREAYEKU-KDOFPFPSSA-N 1 0 342.414 4.366 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000113317188 1053917864 /nfs/dbraw/zinc/91/78/64/1053917864.db2.gz SYMMMVGASVPWPX-SFHVURJKSA-N 1 0 327.424 4.164 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccccc2F)ccc1OC ZINC000113308884 1053918248 /nfs/dbraw/zinc/91/82/48/1053918248.db2.gz VJVCYNFYGDSTNA-GDBMZVCRSA-N 1 0 342.414 4.366 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)c1cccc(C#N)c1 ZINC001197681449 1053973757 /nfs/dbraw/zinc/97/37/57/1053973757.db2.gz IUFMZYVGQQXGEN-GFCCVEGCSA-N 1 0 345.805 4.030 20 30 EIEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC001197921184 1054022373 /nfs/dbraw/zinc/02/23/73/1054022373.db2.gz NKWNWRQYZUHGOE-INIZCTEOSA-N 1 0 330.884 4.103 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C#N)cc1C ZINC000186164219 1054031870 /nfs/dbraw/zinc/03/18/70/1054031870.db2.gz BDDZHVIQXRHDAH-UHFFFAOYSA-N 1 0 335.451 4.026 20 30 EIEDRO CC(C)[N@H+](CCCCC(C)(C)C#N)CCN(C)C(=O)OC(C)(C)C ZINC001197979242 1054047670 /nfs/dbraw/zinc/04/76/70/1054047670.db2.gz VRFZUYDSTKIKDK-UHFFFAOYSA-N 1 0 339.524 4.284 20 30 EIEDRO N#Cc1ccc(C[NH2+]C(C2CCCC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001198020041 1054057067 /nfs/dbraw/zinc/05/70/67/1054057067.db2.gz IYDGMDMIOPDMND-UHFFFAOYSA-N 1 0 327.428 4.305 20 30 EIEDRO CC1(C)[C@H](c2cc(F)c(F)c(F)c2)CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001198026434 1054058909 /nfs/dbraw/zinc/05/89/09/1054058909.db2.gz GRJROAGAJYYARC-HNNXBMFYSA-N 1 0 345.368 4.139 20 30 EIEDRO C#CCC1([NH2+][C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CCC1 ZINC001198034445 1054061118 /nfs/dbraw/zinc/06/11/18/1054061118.db2.gz XEAOIFCFOLZTGQ-KRWDZBQOSA-N 1 0 348.446 4.342 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CC(C)(C)c2cccs2)cc1 ZINC000114508814 1054095354 /nfs/dbraw/zinc/09/53/54/1054095354.db2.gz QLAHKXAZQSCAIV-UHFFFAOYSA-N 1 0 327.497 4.165 20 30 EIEDRO O=C1C=COC2(CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)C1 ZINC001198243985 1054109854 /nfs/dbraw/zinc/10/98/54/1054109854.db2.gz XQVVUWRUZNLSOX-UHFFFAOYSA-N 1 0 325.452 4.182 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(N(C)C)cc1 ZINC000775835570 1054114377 /nfs/dbraw/zinc/11/43/77/1054114377.db2.gz GJJBDLXNSBMOOH-CQSZACIVSA-N 1 0 343.858 4.159 20 30 EIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC001198414535 1054139552 /nfs/dbraw/zinc/13/95/52/1054139552.db2.gz VWHZRJNVZJQRSZ-MRXNPFEDSA-N 1 0 344.480 4.455 20 30 EIEDRO N#Cc1ccc(CC[NH+]2CCC(c3ccc4[nH]ccc4c3)CC2)cc1 ZINC001198442079 1054159798 /nfs/dbraw/zinc/15/97/98/1054159798.db2.gz WQMHYEKRKILYGK-UHFFFAOYSA-N 1 0 329.447 4.462 20 30 EIEDRO CN(C)c1ccc(C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000775882219 1054203612 /nfs/dbraw/zinc/20/36/12/1054203612.db2.gz QILVSSXHWXLHKC-UHFFFAOYSA-N 1 0 349.478 4.035 20 30 EIEDRO C[C@@H](CCc1ccco1)[NH2+]Cc1cc(C#N)ccc1Br ZINC001198991247 1054324154 /nfs/dbraw/zinc/32/41/54/1054324154.db2.gz NQYONCSATHOLIB-LBPRGKRZSA-N 1 0 333.229 4.025 20 30 EIEDRO CC(C)[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCCCC1 ZINC001199160385 1054354473 /nfs/dbraw/zinc/35/44/73/1054354473.db2.gz BTDWCLWUHLVXQI-NRFANRHFSA-N 1 0 341.543 4.478 20 30 EIEDRO C=CCNC(=O)C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000776958051 1054356061 /nfs/dbraw/zinc/35/60/61/1054356061.db2.gz JICMFPLPPMZOIE-UHFFFAOYSA-N 1 0 338.838 4.038 20 30 EIEDRO Cc1cc(C#N)cc(C)c1CNC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC001199259770 1054373947 /nfs/dbraw/zinc/37/39/47/1054373947.db2.gz WZYXOIUBHRGBFV-OAQYLSRUSA-N 1 0 327.516 4.021 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccc(C#N)s1)CCCC2 ZINC000872080123 1054380591 /nfs/dbraw/zinc/38/05/91/1054380591.db2.gz NWVMLFVYOIBLFY-KRWDZBQOSA-N 1 0 342.464 4.194 20 30 EIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858023563 1054403496 /nfs/dbraw/zinc/40/34/96/1054403496.db2.gz OZDYLVRYCYNYBN-OAQYLSRUSA-N 1 0 347.462 4.068 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045975 1054408993 /nfs/dbraw/zinc/40/89/93/1054408993.db2.gz FDZXENCPTBJEPU-YWZLYKJASA-N 1 0 333.435 4.045 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)c2nccnc2C)cc1 ZINC000872135586 1054410661 /nfs/dbraw/zinc/41/06/61/1054410661.db2.gz WZVUQPIODHLCHZ-UKRRQHHQSA-N 1 0 331.847 4.328 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000872139256 1054411971 /nfs/dbraw/zinc/41/19/71/1054411971.db2.gz AOOHGCLKSOBPAA-JFIYKMOQSA-N 1 0 327.472 4.059 20 30 EIEDRO C=CCC1([NH2+]Cc2cc(C)c(F)cc2Br)CCOCC1 ZINC000858189621 1054436283 /nfs/dbraw/zinc/43/62/83/1054436283.db2.gz PLSGBPUMPKUKQB-UHFFFAOYSA-N 1 0 342.252 4.112 20 30 EIEDRO C=CCC[C@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776002512 1054437696 /nfs/dbraw/zinc/43/76/96/1054437696.db2.gz FBVCXQIODQHWRY-XLIONFOSSA-N 1 0 325.452 4.283 20 30 EIEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c[nH]c4c3cccc4F)C2)c1 ZINC001137059345 1054442649 /nfs/dbraw/zinc/44/26/49/1054442649.db2.gz XPXXZPWJRGZXAP-GOSISDBHSA-N 1 0 349.409 4.222 20 30 EIEDRO C[C@H](c1ccccc1)[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1O ZINC000776012035 1054445733 /nfs/dbraw/zinc/44/57/33/1054445733.db2.gz WQRVWBZGGZULPG-QGZVFWFLSA-N 1 0 343.430 4.422 20 30 EIEDRO C[C@@H]1Cc2ccccc2N1CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001199801483 1054473394 /nfs/dbraw/zinc/47/33/94/1054473394.db2.gz RRICWYMYNDKZLV-QGZVFWFLSA-N 1 0 333.479 4.029 20 30 EIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000858446164 1054493559 /nfs/dbraw/zinc/49/35/59/1054493559.db2.gz CHVOCJDKEVYMEC-AWEZNQCLSA-N 1 0 333.476 4.103 20 30 EIEDRO N#CCc1ccc(COC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000776112556 1054551799 /nfs/dbraw/zinc/55/17/99/1054551799.db2.gz JDKXXEAJKWSYRJ-UHFFFAOYSA-N 1 0 348.446 4.096 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@H](CC)Oc2cccc(F)c2)c1 ZINC001200911892 1054572589 /nfs/dbraw/zinc/57/25/89/1054572589.db2.gz WAHPGTMZJIEFAC-SFHVURJKSA-N 1 0 329.415 4.338 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282209461 1054610961 /nfs/dbraw/zinc/61/09/61/1054610961.db2.gz XULJOFJNIHRQOX-LPHOPBHVSA-N 1 0 334.467 4.032 20 30 EIEDRO CN(Cc1ccc(C[NH+](C)C)cc1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000859214004 1054643784 /nfs/dbraw/zinc/64/37/84/1054643784.db2.gz SNJHNEOYQBKIOT-IBGZPJMESA-N 1 0 327.859 4.098 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776164874 1054776475 /nfs/dbraw/zinc/77/64/75/1054776475.db2.gz KWWWPDPSDZHXGU-VQIMIIECSA-N 1 0 349.434 4.121 20 30 EIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)[C@H](C)[C@H]1OC ZINC000776163227 1054777456 /nfs/dbraw/zinc/77/74/56/1054777456.db2.gz GLBCTORQQXLZTF-OSGQAZFXSA-N 1 0 330.472 4.079 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)C12CCCC2 ZINC000776165511 1054793479 /nfs/dbraw/zinc/79/34/79/1054793479.db2.gz RSIOYFHMKIRABV-MISYRCLQSA-N 1 0 342.483 4.195 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2ccc(CO)cc2)cc1 ZINC000776167718 1054798431 /nfs/dbraw/zinc/79/84/31/1054798431.db2.gz NPMIQCUAJNIIEY-INIZCTEOSA-N 1 0 345.870 4.204 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000106038709 1054813494 /nfs/dbraw/zinc/81/34/94/1054813494.db2.gz XJTRDEUPJRDDIQ-UHFFFAOYSA-N 1 0 348.899 4.325 20 30 EIEDRO COc1ccc(C#N)c(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001201478022 1054831620 /nfs/dbraw/zinc/83/16/20/1054831620.db2.gz RCOHLXIYIAKEKB-UXHICEINSA-N 1 0 345.446 4.300 20 30 EIEDRO CCCCCCCCCCCC[NH+]1CCC(NC(=O)COC)CC1 ZINC001201631694 1054860683 /nfs/dbraw/zinc/86/06/83/1054860683.db2.gz YDQDDNQKNNQZCL-UHFFFAOYSA-N 1 0 340.552 4.134 20 30 EIEDRO CCCCCCC[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001201762597 1054899835 /nfs/dbraw/zinc/89/98/35/1054899835.db2.gz QFSUUFMQFOBDLJ-LJQANCHMSA-N 1 0 332.488 4.054 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CCCN2c2ncccn2)CC1 ZINC001201804317 1054911825 /nfs/dbraw/zinc/91/18/25/1054911825.db2.gz HVKQNHHLDBCNDQ-UHFFFAOYSA-N 1 0 330.520 4.272 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC1)C(=O)N(C)C[C@H]2c1ccccc1 ZINC001201776817 1054914520 /nfs/dbraw/zinc/91/45/20/1054914520.db2.gz MNSOABVXPHRZEO-FQEVSTJZSA-N 1 0 342.527 4.295 20 30 EIEDRO CCCCCCC[N@H+]1Cc2cnn(CC3CC3)c2[C@H](COCC)C1 ZINC001201777275 1054917710 /nfs/dbraw/zinc/91/77/10/1054917710.db2.gz VAVMWOVPOMJHJX-IBGZPJMESA-N 1 0 333.520 4.199 20 30 EIEDRO CCCCCCCCC[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001201852638 1054919459 /nfs/dbraw/zinc/91/94/59/1054919459.db2.gz FVLYEOXBFMTUPX-UHFFFAOYSA-N 1 0 331.504 4.026 20 30 EIEDRO CCCCCCCCCC[N@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001201852632 1054919488 /nfs/dbraw/zinc/91/94/88/1054919488.db2.gz FSGVSNKVJLTVOZ-GOSISDBHSA-N 1 0 335.536 4.497 20 30 EIEDRO CCCCCCCC[NH+]1CCC(NC(=O)c2ccc(OC)cc2)CC1 ZINC001201826152 1054924800 /nfs/dbraw/zinc/92/48/00/1054924800.db2.gz OJRRNFCQWNRDNZ-UHFFFAOYSA-N 1 0 346.515 4.250 20 30 EIEDRO CCCCCCCC[NH+]1CCC(N2Cc3ccccc3C2=O)CC1 ZINC001201839888 1054931321 /nfs/dbraw/zinc/93/13/21/1054931321.db2.gz LOJRCXKGYMHUEA-UHFFFAOYSA-N 1 0 328.500 4.467 20 30 EIEDRO CCCCCCCCC[N@@H+]1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001201847468 1054934047 /nfs/dbraw/zinc/93/40/47/1054934047.db2.gz WCMHSAKRIJLTGX-UHFFFAOYSA-N 1 0 349.567 4.075 20 30 EIEDRO CCCCCCCCCC[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001201874942 1054940708 /nfs/dbraw/zinc/94/07/08/1054940708.db2.gz LXLDPJPRICWJKE-FQEVSTJZSA-N 1 0 330.520 4.272 20 30 EIEDRO C#CCCCCCC[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000876727051 1054950622 /nfs/dbraw/zinc/95/06/22/1054950622.db2.gz CXCGQQOCQHTCDV-NRFANRHFSA-N 1 0 332.532 4.073 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000876940035 1054986897 /nfs/dbraw/zinc/98/68/97/1054986897.db2.gz OOISSKXFDAXLSJ-UNMCSNQZSA-N 1 0 331.463 4.016 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000877012539 1054999572 /nfs/dbraw/zinc/99/95/72/1054999572.db2.gz WNGPVHURHNYGLV-KRWDZBQOSA-N 1 0 329.806 4.377 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC3(CCc4ccccc43)CC2)cc1 ZINC001137115448 1055008200 /nfs/dbraw/zinc/00/82/00/1055008200.db2.gz OQDKXPBALKLBLB-UHFFFAOYSA-N 1 0 332.447 4.069 20 30 EIEDRO N#Cc1ccc(F)c(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877067022 1055010300 /nfs/dbraw/zinc/01/03/00/1055010300.db2.gz AGPVFITUFNHFJZ-KNQAVFIVSA-N 1 0 349.453 4.155 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@H](O)c1c(Cl)cccc1Cl ZINC000877067379 1055011189 /nfs/dbraw/zinc/01/11/89/1055011189.db2.gz CPVSWLQYVCWPMY-BTRARHSGSA-N 1 0 327.255 4.087 20 30 EIEDRO N#Cc1ccc(F)c(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877067023 1055012063 /nfs/dbraw/zinc/01/20/63/1055012063.db2.gz AGPVFITUFNHFJZ-SIKLNZKXSA-N 1 0 349.453 4.155 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC000877191412 1055033804 /nfs/dbraw/zinc/03/38/04/1055033804.db2.gz UFTCWTWKCSYTLQ-UHFFFAOYSA-N 1 0 329.444 4.159 20 30 EIEDRO C=CCc1cc(C[NH2+]C2CC(C)(c3ccccc3)C2)cc(OC)c1O ZINC001202203051 1055083721 /nfs/dbraw/zinc/08/37/21/1055083721.db2.gz JJPAGWSNMKEPPR-UHFFFAOYSA-N 1 0 337.463 4.339 20 30 EIEDRO CCOP(=O)(CCC[N@H+](C)[C@H](C)c1cccc(C#N)c1)OCC ZINC000877599416 1055087838 /nfs/dbraw/zinc/08/78/38/1055087838.db2.gz ZCDTXBGXAFXMPS-OAHLLOKOSA-N 1 0 338.388 4.207 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000877758295 1055117510 /nfs/dbraw/zinc/11/75/10/1055117510.db2.gz RVJPBFNCCVUDHQ-ZDUSSCGKSA-N 1 0 347.842 4.470 20 30 EIEDRO CC(=O)[C@](C#N)(CC[NH+]1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000877916282 1055153154 /nfs/dbraw/zinc/15/31/54/1055153154.db2.gz CTBFHJNJZTZGKG-HSZRJFAPSA-N 1 0 346.474 4.307 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000877960773 1055162239 /nfs/dbraw/zinc/16/22/39/1055162239.db2.gz BOTGYPVUIOUUBN-WOJBJXKFSA-N 1 0 338.476 4.326 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H](C)c1cccs1)c1ccccc1 ZINC000877970597 1055165828 /nfs/dbraw/zinc/16/58/28/1055165828.db2.gz PAVUSDYOTKTGCF-HNAYVOBHSA-N 1 0 326.465 4.182 20 30 EIEDRO C=CC(C)(C)C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC001202435222 1055173742 /nfs/dbraw/zinc/17/37/42/1055173742.db2.gz GMUWTJJXRSOWPV-UHFFFAOYSA-N 1 0 348.288 4.245 20 30 EIEDRO CC[C@H](C)[C@H](C)[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056080 1055180657 /nfs/dbraw/zinc/18/06/57/1055180657.db2.gz ADTAOKHHOKWASR-XGHQBKJUSA-N 1 0 326.484 4.326 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000186265477 1055304454 /nfs/dbraw/zinc/30/44/54/1055304454.db2.gz JVJONCHXKOWTJB-GOSISDBHSA-N 1 0 331.419 4.388 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1cc(C)ccc1C)c1ccccc1 ZINC000878510948 1055328230 /nfs/dbraw/zinc/32/82/30/1055328230.db2.gz ULVCVFISLVSRGE-JOCHJYFZSA-N 1 0 334.463 4.176 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1cccc(C)c1C)c1ccccc1 ZINC000878639787 1055365416 /nfs/dbraw/zinc/36/54/16/1055365416.db2.gz VGTMUIBRPXSJFW-QFIPXVFZSA-N 1 0 334.463 4.176 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000878649125 1055367636 /nfs/dbraw/zinc/36/76/36/1055367636.db2.gz XKKCMJWVRQGJTD-FYYLOGMGSA-N 1 0 346.474 4.307 20 30 EIEDRO CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000765818947 1055561958 /nfs/dbraw/zinc/56/19/58/1055561958.db2.gz PSBXZHYVQQKDHR-DNVCBOLYSA-N 1 0 338.455 4.095 20 30 EIEDRO CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)CCC2 ZINC000765818950 1055562121 /nfs/dbraw/zinc/56/21/21/1055562121.db2.gz PSBXZHYVQQKDHR-HNAYVOBHSA-N 1 0 338.455 4.095 20 30 EIEDRO C=CCC1(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)CCCC1 ZINC001128061899 1055707957 /nfs/dbraw/zinc/70/79/57/1055707957.db2.gz ZKVGQDKLWQUSBZ-PKOBYXMFSA-N 1 0 328.500 4.239 20 30 EIEDRO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000765820805 1055709798 /nfs/dbraw/zinc/70/97/98/1055709798.db2.gz VVEUFFHYWULGDY-UXHICEINSA-N 1 0 334.467 4.380 20 30 EIEDRO CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000765820807 1055710929 /nfs/dbraw/zinc/71/09/29/1055710929.db2.gz VVEUFFHYWULGDY-WOJBJXKFSA-N 1 0 334.467 4.380 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273358711 1055780875 /nfs/dbraw/zinc/78/08/75/1055780875.db2.gz CHPCYEKXEIHZPP-QAPCUYQASA-N 1 0 330.428 4.111 20 30 EIEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C)C1 ZINC000542704831 1055849192 /nfs/dbraw/zinc/84/91/92/1055849192.db2.gz KARCVODKUIRFBJ-CQVJONBTSA-N 1 0 327.472 4.058 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000273467411 1055867127 /nfs/dbraw/zinc/86/71/27/1055867127.db2.gz RKWJKBCWZFWZNB-GMVOTWDCSA-N 1 0 342.389 4.407 20 30 EIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3ccc(C#N)cn3)cc2)C1 ZINC000301071528 1055894226 /nfs/dbraw/zinc/89/42/26/1055894226.db2.gz DRSQMTUGQVRYSC-IRXDYDNUSA-N 1 0 334.467 4.043 20 30 EIEDRO Cc1cc(N2CCCN(c3ccccc3C#N)CC2)c2ccccc2[nH+]1 ZINC000301105592 1055897342 /nfs/dbraw/zinc/89/73/42/1055897342.db2.gz PSMMOAZHNPMFNB-UHFFFAOYSA-N 1 0 342.446 4.132 20 30 EIEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273523451 1055909403 /nfs/dbraw/zinc/90/94/03/1055909403.db2.gz QHEDUJYJDMNICN-ICSRJNTNSA-N 1 0 342.389 4.189 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2c(F)cc(C#N)cc2F)CC1 ZINC000301324841 1055920799 /nfs/dbraw/zinc/92/07/99/1055920799.db2.gz XWJNWYBEMOMZPT-AWEZNQCLSA-N 1 0 341.405 4.474 20 30 EIEDRO C[N@@H+]1CCC[C@@H](CNc2c(F)cc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000301458073 1055939211 /nfs/dbraw/zinc/93/92/11/1055939211.db2.gz ZJASOYUUJGCICA-SCLBCKFNSA-N 1 0 347.434 4.393 20 30 EIEDRO C[NH+](C)[C@H](CNc1snc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000301485343 1055942215 /nfs/dbraw/zinc/94/22/15/1055942215.db2.gz WMEDOELFUQKKAW-GFCCVEGCSA-N 1 0 341.267 4.036 20 30 EIEDRO N#Cc1cc(F)c(NC[C@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000301520090 1055944459 /nfs/dbraw/zinc/94/44/59/1055944459.db2.gz KYFDWDOGKRVKOU-OAHLLOKOSA-N 1 0 333.407 4.147 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000302019922 1056009125 /nfs/dbraw/zinc/00/91/25/1056009125.db2.gz HJSGVAZTAYGVNP-UHFFFAOYSA-N 1 0 347.462 4.359 20 30 EIEDRO Cc1ccc2[nH+]ccc(N3CCCN(c4ccccc4C#N)CC3)c2c1 ZINC000302168304 1056024752 /nfs/dbraw/zinc/02/47/52/1056024752.db2.gz SOXJVNCLPKPITL-UHFFFAOYSA-N 1 0 342.446 4.132 20 30 EIEDRO C[C@@H](NCc1ccc(C#N)cc1F)c1nc2ccc(Cl)cc2n1C ZINC000091334082 1056025834 /nfs/dbraw/zinc/02/58/34/1056025834.db2.gz QXFKTHOQMWERTE-LLVKDONJSA-N 1 0 342.805 4.088 20 30 EIEDRO CCCC[NH+]1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302185704 1056027145 /nfs/dbraw/zinc/02/71/45/1056027145.db2.gz UNUIRABRQYOJPN-UHFFFAOYSA-N 1 0 325.378 4.253 20 30 EIEDRO N#Cc1ccc(C(F)(F)F)c(NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000302261210 1056035200 /nfs/dbraw/zinc/03/52/00/1056035200.db2.gz CNNFYNOYXFJMSG-UHFFFAOYSA-N 1 0 337.389 4.396 20 30 EIEDRO C[C@]1(CNc2snc(Cl)c2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000302377863 1056041532 /nfs/dbraw/zinc/04/15/32/1056041532.db2.gz GELYLTDBJSFHPY-QGZVFWFLSA-N 1 0 346.887 4.135 20 30 EIEDRO C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000302976768 1056095187 /nfs/dbraw/zinc/09/51/87/1056095187.db2.gz CGWLRLLHIUTIAF-KRWDZBQOSA-N 1 0 348.494 4.134 20 30 EIEDRO C=CCSCC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000542826847 1056149097 /nfs/dbraw/zinc/14/90/97/1056149097.db2.gz XOGOJLHGPFCYDP-CYBMUJFWSA-N 1 0 335.904 4.404 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000303921928 1056351625 /nfs/dbraw/zinc/35/16/25/1056351625.db2.gz WAUQBPMTVYKXRG-UHFFFAOYSA-N 1 0 343.515 4.170 20 30 EIEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000921807368 1056612897 /nfs/dbraw/zinc/61/28/97/1056612897.db2.gz PDOXHCMCXUFXKF-RFAUZJTJSA-N 1 0 341.263 4.138 20 30 EIEDRO N#Cc1ccccc1-c1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000111052865 1056739667 /nfs/dbraw/zinc/73/96/67/1056739667.db2.gz CNAIDYXRNLOYTH-QFIPXVFZSA-N 1 0 345.490 4.285 20 30 EIEDRO N#CCN1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000619611085 1056750628 /nfs/dbraw/zinc/75/06/28/1056750628.db2.gz FPGJDNNFWIRRIC-IBGZPJMESA-N 1 0 331.891 4.149 20 30 EIEDRO CCc1nc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cs1 ZINC000111408913 1056791025 /nfs/dbraw/zinc/79/10/25/1056791025.db2.gz YQSXWAITVOAHEM-UHFFFAOYSA-N 1 0 341.480 4.057 20 30 EIEDRO Cc1cccnc1[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)C(C)C ZINC000741788943 1058371818 /nfs/dbraw/zinc/37/18/18/1058371818.db2.gz LCYMJPFMTLWTRD-SFHVURJKSA-N 1 0 343.858 4.433 20 30 EIEDRO COc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1C#N ZINC000742369717 1058595607 /nfs/dbraw/zinc/59/56/07/1058595607.db2.gz PCDRSEFTMFTQEQ-UHFFFAOYSA-N 1 0 346.352 4.365 20 30 EIEDRO COc1ccc(C[NH2+]CC2(c3ccc(Cl)cc3)CCC2)cc1C#N ZINC000742369547 1058596240 /nfs/dbraw/zinc/59/62/40/1058596240.db2.gz KAIIVGDYUJGRPE-UHFFFAOYSA-N 1 0 340.854 4.432 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(OC)c(Cl)c2)c1 ZINC000742371263 1058598824 /nfs/dbraw/zinc/59/88/24/1058598824.db2.gz MWEDKDVVCLRFKM-MRXNPFEDSA-N 1 0 344.842 4.319 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2c[nH]c3c2cccc3C)cc1 ZINC000742373270 1058599165 /nfs/dbraw/zinc/59/91/65/1058599165.db2.gz IYHSZGSRSWFNFM-UHFFFAOYSA-N 1 0 332.447 4.211 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]Cc2cc(-c3ccccc3)ccc2O)cc1 ZINC000742378147 1058602598 /nfs/dbraw/zinc/60/25/98/1058602598.db2.gz YILZCRYWAAMBGV-UHFFFAOYSA-N 1 0 344.414 4.099 20 30 EIEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(C(F)(F)F)CC2)c1O ZINC000743385727 1058966958 /nfs/dbraw/zinc/96/69/58/1058966958.db2.gz REELUYOVTOCQPJ-UHFFFAOYSA-N 1 0 343.389 4.294 20 30 EIEDRO CCCCCC[C@H](C)NN=C1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000743450176 1059000210 /nfs/dbraw/zinc/00/02/10/1059000210.db2.gz HDKXASDZBQPPQB-ROUUACIJSA-N 1 0 330.520 4.228 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2ccc(Cl)nc2)ccc1O ZINC000743450548 1059000945 /nfs/dbraw/zinc/00/09/45/1059000945.db2.gz MAMKPZHEGPYTMG-UHFFFAOYSA-N 1 0 346.862 4.119 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000743473027 1059021998 /nfs/dbraw/zinc/02/19/98/1059021998.db2.gz JIXINXQLTORYSO-RTBURBONSA-N 1 0 349.478 4.289 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000743473024 1059022862 /nfs/dbraw/zinc/02/28/62/1059022862.db2.gz JIXINXQLTORYSO-MOPGFXCFSA-N 1 0 349.478 4.289 20 30 EIEDRO Cc1c(C[NH2+][C@@H](C)c2cccc(C#N)c2)sc2nc(C)nc(C)c12 ZINC000743495128 1059031430 /nfs/dbraw/zinc/03/14/30/1059031430.db2.gz AVDCADVTHOXDDJ-LBPRGKRZSA-N 1 0 336.464 4.339 20 30 EIEDRO CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)ccc1O ZINC000743872820 1059193087 /nfs/dbraw/zinc/19/30/87/1059193087.db2.gz AQGJNPAKQWDGMF-UHFFFAOYSA-N 1 0 345.240 4.048 20 30 EIEDRO CC(C)[N@H+](CCC#N)Cc1c(O)ccc2cc(Br)ccc21 ZINC000745437317 1059833100 /nfs/dbraw/zinc/83/31/00/1059833100.db2.gz GNJXUGOCBJTSRE-UHFFFAOYSA-N 1 0 347.256 4.432 20 30 EIEDRO N#Cc1ccc(CN(Cc2cc(Cl)nc(Cl)c2)C2CC2)cc1 ZINC000746115644 1060040104 /nfs/dbraw/zinc/04/01/04/1060040104.db2.gz WEVMGLBRCHLLMZ-UHFFFAOYSA-N 1 0 332.234 4.425 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000746151515 1060047042 /nfs/dbraw/zinc/04/70/42/1060047042.db2.gz BZEBJUHYOKPMSE-HXUWFJFHSA-N 1 0 344.405 4.028 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)ccc1OC ZINC000766439419 1060358891 /nfs/dbraw/zinc/35/88/91/1060358891.db2.gz QYWIHIGYJWDMJD-CWLKWCNXSA-N 1 0 330.472 4.290 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001168839713 1060451388 /nfs/dbraw/zinc/45/13/88/1060451388.db2.gz NBZCVVDXPJXTLX-KBAYOESNSA-N 1 0 330.472 4.291 20 30 EIEDRO CC(C)[C@H](C#N)N1CCN(Cc2ccc(C3CCCC3)cc2)CC1 ZINC001168873325 1060498282 /nfs/dbraw/zinc/49/82/82/1060498282.db2.gz NSPRJFQWBXYCPB-NRFANRHFSA-N 1 0 325.500 4.010 20 30 EIEDRO C=CCc1cc(C)cnc1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001168994495 1060567448 /nfs/dbraw/zinc/56/74/48/1060567448.db2.gz FGGJDKGTBNQLMR-UHFFFAOYSA-N 1 0 340.858 4.002 20 30 EIEDRO C=CCOCc1nn([C@H](Cc2ccccc2)CC(C)C)c2c1C[NH2+]C2 ZINC001169069537 1060628828 /nfs/dbraw/zinc/62/88/28/1060628828.db2.gz GFRKBUXLVYHJKF-SFHVURJKSA-N 1 0 339.483 4.019 20 30 EIEDRO N#CCC[N@H+](C1CCCC1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169299579 1060761701 /nfs/dbraw/zinc/76/17/01/1060761701.db2.gz JCEVHAFLTSGMKU-UHFFFAOYSA-N 1 0 340.467 4.313 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169302211 1060762807 /nfs/dbraw/zinc/76/28/07/1060762807.db2.gz YTYWTGDMLPMYIW-UHFFFAOYSA-N 1 0 348.446 4.158 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1cccc(SCc2ccccc2)c1)[C@@H]1CCCO1 ZINC001169495913 1060835154 /nfs/dbraw/zinc/83/51/54/1060835154.db2.gz RXGFMGUJBFHSDJ-RTWAWAEBSA-N 1 0 337.488 4.249 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc2[nH]cc(CC#N)c21 ZINC001169694154 1060904734 /nfs/dbraw/zinc/90/47/34/1060904734.db2.gz ZXMGHCIKLMDVSJ-QGZVFWFLSA-N 1 0 330.435 4.474 20 30 EIEDRO N#CC12CCC(Nc3ccc4c(c3)C3(CC4)CC[NH2+]CC3)(CC1)CC2 ZINC001169751007 1060929671 /nfs/dbraw/zinc/92/96/71/1060929671.db2.gz SFYDHEIKNCLKIV-UHFFFAOYSA-N 1 0 335.495 4.282 20 30 EIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC001204029876 1061026416 /nfs/dbraw/zinc/02/64/16/1061026416.db2.gz KITFGWKCSMKGOK-UHFFFAOYSA-N 1 0 348.512 4.057 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475662104 1032214702 /nfs/dbraw/zinc/21/47/02/1032214702.db2.gz PSBXLLQUDPCAAQ-HSZRJFAPSA-N 1 0 348.490 4.057 20 30 EIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000282037550 1032251180 /nfs/dbraw/zinc/25/11/80/1032251180.db2.gz QRYQRTXICJJQRO-IBGZPJMESA-N 1 0 332.463 4.083 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000245734242 1032447203 /nfs/dbraw/zinc/44/72/03/1032447203.db2.gz KHQJAXHTJKSEDN-RTBURBONSA-N 1 0 330.497 4.229 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000533057073 1032462487 /nfs/dbraw/zinc/46/24/87/1032462487.db2.gz DHWLXFCMFLSYIC-UHFFFAOYSA-N 1 0 334.463 4.283 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)Oc1ccccc1 ZINC000576032430 1032463775 /nfs/dbraw/zinc/46/37/75/1032463775.db2.gz LQXHOJCKIPARKZ-CYBMUJFWSA-N 1 0 334.341 4.134 20 30 EIEDRO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245813244 1032494041 /nfs/dbraw/zinc/49/40/41/1032494041.db2.gz ZREOODVFPUUCNB-UZLBHIALSA-N 1 0 336.435 4.323 20 30 EIEDRO COc1ccc(CNc2ccc(CC[NH+]3CCCCC3)cc2)cc1C#N ZINC000533219205 1032548848 /nfs/dbraw/zinc/54/88/48/1032548848.db2.gz XHQXVQJBZDZJFZ-UHFFFAOYSA-N 1 0 349.478 4.207 20 30 EIEDRO CCC(CC)c1cc[n+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000179846686 1032574012 /nfs/dbraw/zinc/57/40/12/1032574012.db2.gz SPVJJSBVVPCMCO-OAQYLSRUSA-N 1 0 348.470 4.117 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+]CC(=C)C)cc1OCC ZINC000512378836 1032590425 /nfs/dbraw/zinc/59/04/25/1032590425.db2.gz BURYSDAKRWEYJX-UHFFFAOYSA-N 1 0 340.261 4.078 20 30 EIEDRO C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000500539271 1032613386 /nfs/dbraw/zinc/61/33/86/1032613386.db2.gz PKNUPGHONPEYHQ-QGZVFWFLSA-N 1 0 348.494 4.134 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1c(F)cc(C#N)cc1F)c1ccsc1 ZINC000500544740 1032625412 /nfs/dbraw/zinc/62/54/12/1032625412.db2.gz NNVSEXOQSLFBSF-INIZCTEOSA-N 1 0 335.423 4.393 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1(CC)CC ZINC000236879745 1032688543 /nfs/dbraw/zinc/68/85/43/1032688543.db2.gz YQSJJVMELBIWKM-KFKAGJAMSA-N 1 0 330.472 4.051 20 30 EIEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000533367588 1032706722 /nfs/dbraw/zinc/70/67/22/1032706722.db2.gz AKTINXAHLKYPRR-QRWLVFNGSA-N 1 0 333.435 4.016 20 30 EIEDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000432775346 1032767379 /nfs/dbraw/zinc/76/73/79/1032767379.db2.gz UMRCLIDEPXPWJA-OAHLLOKOSA-N 1 0 347.418 4.326 20 30 EIEDRO CC(C)C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000126851461 1018920649 /nfs/dbraw/zinc/92/06/49/1018920649.db2.gz DNLGMKMMBKAOBE-RTWAWAEBSA-N 1 0 349.478 4.022 20 30 EIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC001167064709 1019222350 /nfs/dbraw/zinc/22/23/50/1019222350.db2.gz XSHWWRGJUAXPFN-RTBURBONSA-N 1 0 326.827 4.082 20 30 EIEDRO C=CCOC(=O)N1CCC2(C[NH+](CC3=CC[C@@H](C(=C)C)CC3)C2)CC1 ZINC001208169800 1019243602 /nfs/dbraw/zinc/24/36/02/1019243602.db2.gz AATJSRKIRKSXFQ-LJQANCHMSA-N 1 0 344.499 4.009 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000610212090 1019359635 /nfs/dbraw/zinc/35/96/35/1019359635.db2.gz KMSIBCZKIZHNSG-UHFFFAOYSA-N 1 0 341.432 4.469 20 30 EIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000051429028 1032827705 /nfs/dbraw/zinc/82/77/05/1032827705.db2.gz MUWOWHQPZNUPTQ-GOSISDBHSA-N 1 0 349.459 4.384 20 30 EIEDRO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC001167070781 1019408935 /nfs/dbraw/zinc/40/89/35/1019408935.db2.gz IXFMSQDLGGVKJG-OAQYLSRUSA-N 1 0 334.463 4.424 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000285701977 1019438720 /nfs/dbraw/zinc/43/87/20/1019438720.db2.gz OIPIWHVOTJUUED-BEFAXECRSA-N 1 0 344.418 4.191 20 30 EIEDRO CC(C)CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000236785436 1032832341 /nfs/dbraw/zinc/83/23/41/1032832341.db2.gz RVOXFRRBXXEYRG-UHFFFAOYSA-N 1 0 326.415 4.412 20 30 EIEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001203385878 1019577148 /nfs/dbraw/zinc/57/71/48/1019577148.db2.gz XKTJQIBTIYZWDK-SFHVURJKSA-N 1 0 326.827 4.255 20 30 EIEDRO COCCC[N@@H+]1Cc2ccc(N=Cc3cc(Cl)ccc3O)cc2C1 ZINC000254964093 1019627506 /nfs/dbraw/zinc/62/75/06/1019627506.db2.gz NEEFLDYQZFWHGQ-UHFFFAOYSA-N 1 0 344.842 4.148 20 30 EIEDRO C=C(C)[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)c(F)c1 ZINC000274805788 1019656418 /nfs/dbraw/zinc/65/64/18/1019656418.db2.gz WNDRTSWFFYVWON-HXUWFJFHSA-N 1 0 343.421 4.236 20 30 EIEDRO C#CCCC[NH+]1CCC2(CCc3ccc(-c4cccnc4)cc32)CC1 ZINC001209266927 1020176435 /nfs/dbraw/zinc/17/64/35/1020176435.db2.gz GFWOTKVYPDZUOG-UHFFFAOYSA-N 1 0 330.475 4.442 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC001167115497 1020211725 /nfs/dbraw/zinc/21/17/25/1020211725.db2.gz CQDYZCFNBVHXRZ-GOSISDBHSA-N 1 0 325.500 4.207 20 30 EIEDRO Cc1nsc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1C#N ZINC000339970136 1020212388 /nfs/dbraw/zinc/21/23/88/1020212388.db2.gz ZJTSWQXMVGDGKB-UHFFFAOYSA-N 1 0 340.496 4.167 20 30 EIEDRO C=CCCCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC001167123912 1020272430 /nfs/dbraw/zinc/27/24/30/1020272430.db2.gz YVMMFWMSMURCMX-UHFFFAOYSA-N 1 0 341.282 4.108 20 30 EIEDRO C=CCCCCC[NH+]1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC001209422930 1020306492 /nfs/dbraw/zinc/30/64/92/1020306492.db2.gz KZOPSAKQUXEJLM-UHFFFAOYSA-N 1 0 332.532 4.238 20 30 EIEDRO C=CCCCCC[NH+]1CCC(Oc2ncnc3ccccc32)CC1 ZINC001209432942 1020329252 /nfs/dbraw/zinc/32/92/52/1020329252.db2.gz OASGPLFLRBGCBN-UHFFFAOYSA-N 1 0 325.456 4.219 20 30 EIEDRO C#CC[N@@H+](C[C@H](C)COCc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001167178902 1020487006 /nfs/dbraw/zinc/48/70/06/1020487006.db2.gz OQRCHKJRTAYKEX-WMZHIEFXSA-N 1 0 333.475 4.462 20 30 EIEDRO CCC(C)(C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000510225570 1020510140 /nfs/dbraw/zinc/51/01/40/1020510140.db2.gz YNDDIGHKFQSHPE-UHFFFAOYSA-N 1 0 347.528 4.338 20 30 EIEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000579900554 1020591982 /nfs/dbraw/zinc/59/19/82/1020591982.db2.gz LECWOABYQBOONQ-ZDUSSCGKSA-N 1 0 348.368 4.394 20 30 EIEDRO COc1ccc([C@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)cc1 ZINC001167285965 1020851248 /nfs/dbraw/zinc/85/12/48/1020851248.db2.gz DFGLWDRZGUHHAA-SFHVURJKSA-N 1 0 325.839 4.190 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)s1 ZINC000176946950 1020938492 /nfs/dbraw/zinc/93/84/92/1020938492.db2.gz VSWBMUMDYAPZNR-SFHVURJKSA-N 1 0 345.899 4.200 20 30 EIEDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000176962609 1020939565 /nfs/dbraw/zinc/93/95/65/1020939565.db2.gz PDXFXAHJPHBECY-ZDUSSCGKSA-N 1 0 332.494 4.146 20 30 EIEDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000176962622 1020940556 /nfs/dbraw/zinc/94/05/56/1020940556.db2.gz PDXFXAHJPHBECY-CYBMUJFWSA-N 1 0 332.494 4.146 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)s1 ZINC000176975214 1020941655 /nfs/dbraw/zinc/94/16/55/1020941655.db2.gz DDKDSMPGCHDDDD-ZDUSSCGKSA-N 1 0 331.872 4.032 20 30 EIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC2(c3ccccc3)COC2)cc1 ZINC001167301339 1020978755 /nfs/dbraw/zinc/97/87/55/1020978755.db2.gz AIBIFLASWYOXGS-JOCHJYFZSA-N 1 0 348.490 4.390 20 30 EIEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC2(CC#N)CC2)cc1OC ZINC001167302376 1020978848 /nfs/dbraw/zinc/97/88/48/1020978848.db2.gz PBHIREDZOFLJDG-GOSISDBHSA-N 1 0 342.483 4.185 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(C)c2OC)ccc1OC ZINC000655831680 1020994335 /nfs/dbraw/zinc/99/43/35/1020994335.db2.gz LNKIFAUKNOKMMB-UHFFFAOYSA-N 1 0 341.451 4.257 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)c(F)cn1 ZINC000340444295 1021039574 /nfs/dbraw/zinc/03/95/74/1021039574.db2.gz CNXGRDIRLAGPKO-KSSFIOAISA-N 1 0 327.403 4.315 20 30 EIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000340448227 1021043576 /nfs/dbraw/zinc/04/35/76/1021043576.db2.gz RODPXWPLAQJRFU-YJBOKZPZSA-N 1 0 349.434 4.103 20 30 EIEDRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)c1ccc(C#N)s1 ZINC000134964386 1021048574 /nfs/dbraw/zinc/04/85/74/1021048574.db2.gz POBZZPASVJMKCV-HZPDHXFCSA-N 1 0 339.508 4.496 20 30 EIEDRO CCCCCCC[N@H+](CCO)Cc1cc(Br)ccc1F ZINC001167321388 1021088732 /nfs/dbraw/zinc/08/87/32/1021088732.db2.gz HHBMETUUQDQDKW-UHFFFAOYSA-N 1 0 346.284 4.353 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179972753 1021195602 /nfs/dbraw/zinc/19/56/02/1021195602.db2.gz PLSGEXPCZHBIAU-HXUWFJFHSA-N 1 0 334.467 4.113 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(OC(F)(F)F)c2)cc1 ZINC000512516457 1032967765 /nfs/dbraw/zinc/96/77/65/1032967765.db2.gz GRQQILJOVMVZKM-UHFFFAOYSA-N 1 0 337.341 4.440 20 30 EIEDRO CC(=NNc1cc(C)cc(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748132413 1021265915 /nfs/dbraw/zinc/26/59/15/1021265915.db2.gz ACXKIQYHUXDKHO-UHFFFAOYSA-N 1 0 325.456 4.080 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(Cl)c1OC ZINC000610345259 1021341712 /nfs/dbraw/zinc/34/17/12/1021341712.db2.gz YYEQLSGJJZYXJK-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO C[C@@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1cccc(C#N)c1 ZINC000610345254 1021341996 /nfs/dbraw/zinc/34/19/96/1021341996.db2.gz YVKXKLXHEWGURE-CQSZACIVSA-N 1 0 336.826 4.248 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC000610344633 1021344493 /nfs/dbraw/zinc/34/44/93/1021344493.db2.gz BMOKSNIKSGPEMD-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(SC)cc1OC ZINC000610344809 1021344700 /nfs/dbraw/zinc/34/47/00/1021344700.db2.gz IRUMHMMQZBZDAE-CYBMUJFWSA-N 1 0 342.464 4.148 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000177689985 1021449461 /nfs/dbraw/zinc/44/94/61/1021449461.db2.gz LTWOCNSEWAUSBU-UHFFFAOYSA-N 1 0 346.883 4.111 20 30 EIEDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@H]12 ZINC000610367486 1021542854 /nfs/dbraw/zinc/54/28/54/1021542854.db2.gz JORDGSQCKKTUAO-OLMNPRSZSA-N 1 0 336.439 4.009 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c1 ZINC000177708482 1021627835 /nfs/dbraw/zinc/62/78/35/1021627835.db2.gz XAFXQEVHTLXNJK-UHFFFAOYSA-N 1 0 328.771 4.164 20 30 EIEDRO CCCCCCCC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000155626561 1021720820 /nfs/dbraw/zinc/72/08/20/1021720820.db2.gz MYPYMJOCGKDJBG-KRWDZBQOSA-N 1 0 331.504 4.084 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c(C)c1OC ZINC000580303843 1021832064 /nfs/dbraw/zinc/83/20/64/1021832064.db2.gz VIYXVOSXJHQGBB-CYBMUJFWSA-N 1 0 344.842 4.388 20 30 EIEDRO C#CCOc1ccc([C@@H](C)NCc2coc(-c3ccccc3)n2)cc1 ZINC000177969729 1021834916 /nfs/dbraw/zinc/83/49/16/1021834916.db2.gz AYTUCNCXOFKICM-MRXNPFEDSA-N 1 0 332.403 4.204 20 30 EIEDRO C=CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC1CCCCC1 ZINC001167390908 1021954100 /nfs/dbraw/zinc/95/41/00/1021954100.db2.gz BZGZVMYKFFDZCW-SFHVURJKSA-N 1 0 336.520 4.312 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000537957679 1022010949 /nfs/dbraw/zinc/01/09/49/1022010949.db2.gz QJWKNRARDRVGKV-ZNMIVQPWSA-N 1 0 329.406 4.047 20 30 EIEDRO C[N@@H+]1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)[C@H]1c1ccccc1 ZINC000613430909 1022011717 /nfs/dbraw/zinc/01/17/17/1022011717.db2.gz HXOBHTQIGOWVSS-PKOBYXMFSA-N 1 0 334.467 4.108 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000414167738 1022012015 /nfs/dbraw/zinc/01/20/15/1022012015.db2.gz PPFQGARPGZJNFI-AWEZNQCLSA-N 1 0 337.261 4.192 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000414207909 1022159921 /nfs/dbraw/zinc/15/99/21/1022159921.db2.gz HYDHKGAHYMTMMU-CMPLNLGQSA-N 1 0 327.653 4.274 20 30 EIEDRO C=CCCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000471588649 1022160872 /nfs/dbraw/zinc/16/08/72/1022160872.db2.gz MMMZYKJOGVSACA-MRXNPFEDSA-N 1 0 335.513 4.410 20 30 EIEDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1c1ccccc1 ZINC000134258089 1022176555 /nfs/dbraw/zinc/17/65/55/1022176555.db2.gz SGGWSTLEQGKZDJ-IBGZPJMESA-N 1 0 347.462 4.012 20 30 EIEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000414227212 1022214575 /nfs/dbraw/zinc/21/45/75/1022214575.db2.gz VTRLATJWXPVRHK-JZEAKTPCSA-N 1 0 346.474 4.293 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000471610383 1022384353 /nfs/dbraw/zinc/38/43/53/1022384353.db2.gz GENPWAMPMULJCS-QAPCUYQASA-N 1 0 340.417 4.400 20 30 EIEDRO Cc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)c2cc(F)ccc2[nH+]1 ZINC000341392422 1022447815 /nfs/dbraw/zinc/44/78/15/1022447815.db2.gz YZMFVYQTYLCOSZ-OAQYLSRUSA-N 1 0 347.393 4.132 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000414305927 1022464610 /nfs/dbraw/zinc/46/46/10/1022464610.db2.gz QMPJIYIJHHGSCV-CRAIPNDOSA-N 1 0 344.524 4.478 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000310854673 1022518646 /nfs/dbraw/zinc/51/86/46/1022518646.db2.gz SDLVWHQNXPGOCS-UHFFFAOYSA-N 1 0 337.423 4.195 20 30 EIEDRO C[C@H](NCc1ccc(C#N)cc1F)c1ccccc1OC(F)(F)F ZINC000177856687 1022702134 /nfs/dbraw/zinc/70/21/34/1022702134.db2.gz LQMWHIGBGDBVLX-NSHDSACASA-N 1 0 338.304 4.447 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCCc2cccc(Cl)c2)O1 ZINC000378448351 1022824698 /nfs/dbraw/zinc/82/46/98/1022824698.db2.gz CNKGFSADMWYDPD-NCXUSEDFSA-N 1 0 332.875 4.102 20 30 EIEDRO N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000340863568 1022854391 /nfs/dbraw/zinc/85/43/91/1022854391.db2.gz BSJWGEGCCOWJAR-UHFFFAOYSA-N 1 0 344.399 4.187 20 30 EIEDRO N#CCCCOc1cccc(NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000378535026 1022861646 /nfs/dbraw/zinc/86/16/46/1022861646.db2.gz YFCCWSXMMFRWHO-UHFFFAOYSA-N 1 0 327.472 4.188 20 30 EIEDRO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000378614793 1022893481 /nfs/dbraw/zinc/89/34/81/1022893481.db2.gz HTHDKZWNUCKDFM-RTWAWAEBSA-N 1 0 338.495 4.020 20 30 EIEDRO CC(C)(C#N)CCCCN1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376548298 1022975318 /nfs/dbraw/zinc/97/53/18/1022975318.db2.gz WVFHCVOJZHNUJN-HZPDHXFCSA-N 1 0 346.475 4.168 20 30 EIEDRO COc1ccc(C[NH+]2CCC3(CCC3)CC2)cc1OCCCC#N ZINC000589188269 1023095890 /nfs/dbraw/zinc/09/58/90/1023095890.db2.gz SYCVPIUCPGNLDC-UHFFFAOYSA-N 1 0 328.456 4.144 20 30 EIEDRO C=CCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001125895438 1023096618 /nfs/dbraw/zinc/09/66/18/1023096618.db2.gz FZSWBDVXVWTORN-SFHVURJKSA-N 1 0 334.891 4.167 20 30 EIEDRO C[C@H](Nc1c[nH+]c2cccc(Br)n12)c1cccc(C#N)c1 ZINC001167710969 1023165632 /nfs/dbraw/zinc/16/56/32/1023165632.db2.gz UQPGSNDHQCCDCX-NSHDSACASA-N 1 0 341.212 4.142 20 30 EIEDRO C=C(C)C[N@@H+](CCc1ccc(OC)cc1)Cc1cnn(C(C)C)c1 ZINC000512542861 1033113142 /nfs/dbraw/zinc/11/31/42/1033113142.db2.gz WATWFMVDSACFEA-UHFFFAOYSA-N 1 0 327.472 4.093 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001167461606 1023208977 /nfs/dbraw/zinc/20/89/77/1023208977.db2.gz NLXXYMCKGRYLIZ-IBGZPJMESA-N 1 0 328.500 4.395 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC001167461301 1023209614 /nfs/dbraw/zinc/20/96/14/1023209614.db2.gz DWUZTIJLEPZDNO-INIZCTEOSA-N 1 0 332.513 4.192 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000581559792 1023363846 /nfs/dbraw/zinc/36/38/46/1023363846.db2.gz LRYPJLQMTZHJIE-FZMZJTMJSA-N 1 0 333.229 4.367 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(C#N)cc1 ZINC000377078003 1023366437 /nfs/dbraw/zinc/36/64/37/1023366437.db2.gz MYIMHSKNTSXUQK-LJQANCHMSA-N 1 0 334.398 4.124 20 30 EIEDRO C=CCOc1cccc(CN2CCC[C@H]2c2nc3ccccc3n2C)c1 ZINC000510432927 1023369808 /nfs/dbraw/zinc/36/98/08/1023369808.db2.gz ZUSJTXZKBDSDMU-NRFANRHFSA-N 1 0 347.462 4.475 20 30 EIEDRO CC(C)N1CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000549476228 1023381057 /nfs/dbraw/zinc/38/10/57/1023381057.db2.gz CLEZBCQEPKLOLS-QZTJIDSGSA-N 1 0 335.442 4.018 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC23CCCC3)ccc1OC ZINC000189164962 1023411919 /nfs/dbraw/zinc/41/19/19/1023411919.db2.gz RSUSPRIYENYWIW-APWZRJJASA-N 1 0 328.456 4.189 20 30 EIEDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000549174195 1023425275 /nfs/dbraw/zinc/42/52/75/1023425275.db2.gz RUEYKFOFDPGLSQ-IKGGRYGDSA-N 1 0 349.478 4.037 20 30 EIEDRO N#CCSCCC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000549180458 1023434124 /nfs/dbraw/zinc/43/41/24/1023434124.db2.gz PAZFVFVDOSQETG-HNNXBMFYSA-N 1 0 346.393 4.223 20 30 EIEDRO CN(C)C1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCCC1 ZINC000500054567 1023472617 /nfs/dbraw/zinc/47/26/17/1023472617.db2.gz RJBYTYOWRCLPKS-UHFFFAOYSA-N 1 0 339.527 4.245 20 30 EIEDRO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000377394857 1023510021 /nfs/dbraw/zinc/51/00/21/1023510021.db2.gz AIGSUGRBSULDEX-XOBRGWDASA-N 1 0 340.398 4.120 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3sc(Br)cc32)cc1 ZINC000311948926 1023512684 /nfs/dbraw/zinc/51/26/84/1023512684.db2.gz YUYZBWLBVITFHU-ZDUSSCGKSA-N 1 0 333.254 4.159 20 30 EIEDRO N#CC1(CCCC[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CCC1 ZINC000931058123 1023517999 /nfs/dbraw/zinc/51/79/99/1023517999.db2.gz DRHISQJSZQNZNO-HNNXBMFYSA-N 1 0 341.282 4.481 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC(OC3CCC3)CC2)ccc1OC ZINC000418089574 1023523605 /nfs/dbraw/zinc/52/36/05/1023523605.db2.gz JFVNEPVYODAUHC-UHFFFAOYSA-N 1 0 345.483 4.184 20 30 EIEDRO CCn1nc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000418145177 1023558829 /nfs/dbraw/zinc/55/88/29/1023558829.db2.gz MESRFWVXBHWBAY-LJQANCHMSA-N 1 0 330.435 4.095 20 30 EIEDRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC(C)(C)CCC#N ZINC000584533670 1023639750 /nfs/dbraw/zinc/63/97/50/1023639750.db2.gz JGTSKMXYMBWWFC-GFCCVEGCSA-N 1 0 341.268 4.439 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415576343 1023701367 /nfs/dbraw/zinc/70/13/67/1023701367.db2.gz GABQCMGWVWTXMJ-QAQDUYKDSA-N 1 0 343.515 4.425 20 30 EIEDRO Cc1cc(F)ccc1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000152676012 1023705875 /nfs/dbraw/zinc/70/58/75/1023705875.db2.gz UZKMAKJSDNOBNF-UHFFFAOYSA-N 1 0 326.415 4.149 20 30 EIEDRO N#CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000759864974 1023753529 /nfs/dbraw/zinc/75/35/29/1023753529.db2.gz JWOZNMUVBMAQIG-QZTJIDSGSA-N 1 0 332.806 4.147 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)Cc2ccccc2Cl)cc1 ZINC000728712029 1023761996 /nfs/dbraw/zinc/76/19/96/1023761996.db2.gz SVOADTDGOOGWPD-LSDHHAIUSA-N 1 0 328.843 4.352 20 30 EIEDRO CCCN(Cc1cccc(OCCCC#N)c1)c1ccc(C[NH3+])cc1 ZINC000194981361 1023798189 /nfs/dbraw/zinc/79/81/89/1023798189.db2.gz HRVJIPLTFYZWOB-UHFFFAOYSA-N 1 0 337.467 4.244 20 30 EIEDRO CCN(Cc1ccc(C#N)s1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000511667435 1023825445 /nfs/dbraw/zinc/82/54/45/1023825445.db2.gz OIUBGCLQOQPLDG-FUHWJXTLSA-N 1 0 339.508 4.277 20 30 EIEDRO CCN(Cc1cc(C#N)cs1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000511668113 1023828363 /nfs/dbraw/zinc/82/83/63/1023828363.db2.gz RLZAVZVXMXPTTA-QFBILLFUSA-N 1 0 339.508 4.277 20 30 EIEDRO Cc1nsc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C#N ZINC000341532089 1023833493 /nfs/dbraw/zinc/83/34/93/1023833493.db2.gz ZVNSLBBUQJIIAS-AWEZNQCLSA-N 1 0 340.496 4.167 20 30 EIEDRO Cc1nsc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1C#N ZINC000341549340 1023863856 /nfs/dbraw/zinc/86/38/56/1023863856.db2.gz OWIAWBQJRUSIAW-CQSZACIVSA-N 1 0 340.496 4.310 20 30 EIEDRO C=CCC[C@@H](NC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1)c1ccccc1 ZINC000891697865 1023886317 /nfs/dbraw/zinc/88/63/17/1023886317.db2.gz PROFUAWJYXKVJB-WIYYLYMNSA-N 1 0 343.515 4.100 20 30 EIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167492420 1023956135 /nfs/dbraw/zinc/95/61/35/1023956135.db2.gz SCPPITOWLHDZOG-SFTDATJTSA-N 1 0 347.462 4.073 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]CCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000549536241 1023978249 /nfs/dbraw/zinc/97/82/49/1023978249.db2.gz QJCSIAUCNDJGCS-HNNXBMFYSA-N 1 0 328.378 4.312 20 30 EIEDRO N#CCC1(C[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000430732071 1023985048 /nfs/dbraw/zinc/98/50/48/1023985048.db2.gz YRCKEIOOYRCOIJ-GOSISDBHSA-N 1 0 325.843 4.302 20 30 EIEDRO CC(C)OCCC[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047613614 1023987950 /nfs/dbraw/zinc/98/79/50/1023987950.db2.gz DSONQBGWOGNWMS-UHFFFAOYSA-N 1 0 347.462 4.247 20 30 EIEDRO CC(C)C[NH+]1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301320558 1024054126 /nfs/dbraw/zinc/05/41/26/1024054126.db2.gz GCSJKFRBCWOQAT-UHFFFAOYSA-N 1 0 325.378 4.109 20 30 EIEDRO C[N@H+](CCNc1ccc(C#N)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000395355237 1024102789 /nfs/dbraw/zinc/10/27/89/1024102789.db2.gz JPUACYACEIONDI-UHFFFAOYSA-N 1 0 333.357 4.121 20 30 EIEDRO N#Cc1ccc(CN2CCC[C@@H]2c2ccc(Br)cc2)o1 ZINC000510625084 1024112355 /nfs/dbraw/zinc/11/23/55/1024112355.db2.gz PVAHZEKXQMBWJM-MRXNPFEDSA-N 1 0 331.213 4.251 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000651680209 1024185409 /nfs/dbraw/zinc/18/54/09/1024185409.db2.gz BDTMJCLIFMGVLK-JZXOWHBKSA-N 1 0 333.472 4.116 20 30 EIEDRO C=CCN(Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccc(OC)cc1 ZINC000510660323 1024190459 /nfs/dbraw/zinc/19/04/59/1024190459.db2.gz VMGYVSFNPBUGSW-UHFFFAOYSA-N 1 0 341.499 4.452 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)C1 ZINC000651695647 1024215693 /nfs/dbraw/zinc/21/56/93/1024215693.db2.gz SCZUZPRSDBXQEN-OXQOHEQNSA-N 1 0 335.451 4.168 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000341705715 1024367293 /nfs/dbraw/zinc/36/72/93/1024367293.db2.gz JOJPCODGEOKAES-FRGLQRNOSA-N 1 0 345.490 4.361 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccccn1 ZINC000066905092 1024387209 /nfs/dbraw/zinc/38/72/09/1024387209.db2.gz WKJMGVMELNOPMZ-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cccs2)c1 ZINC000066904895 1024391914 /nfs/dbraw/zinc/39/19/14/1024391914.db2.gz ZYXRSPVTZMBQGJ-UHFFFAOYSA-N 1 0 334.444 4.489 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C(C)(C)C ZINC000661760284 1024480177 /nfs/dbraw/zinc/48/01/77/1024480177.db2.gz OZYGDFPEVGWTQP-UHFFFAOYSA-N 1 0 328.378 4.321 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2ccnc2)cc1 ZINC000341758444 1024616056 /nfs/dbraw/zinc/61/60/56/1024616056.db2.gz PNEYTHWXYKGMEI-KSFYIVLOSA-N 1 0 342.446 4.472 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341758861 1024617726 /nfs/dbraw/zinc/61/77/26/1024617726.db2.gz DTUVMFIDNVOONG-KUHUBIRLSA-N 1 0 336.435 4.304 20 30 EIEDRO CC(C)c1ccccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001167784437 1024651724 /nfs/dbraw/zinc/65/17/24/1024651724.db2.gz IWGMIVYTEFVTTN-JOCHJYFZSA-N 1 0 333.479 4.192 20 30 EIEDRO C=C(C)C[N@H+](Cc1c(C)nn(-c2ccccn2)c1C)Cc1ccccc1 ZINC000549811082 1033227051 /nfs/dbraw/zinc/22/70/51/1033227051.db2.gz YVKWDVJYTHKDBT-UHFFFAOYSA-N 1 0 346.478 4.462 20 30 EIEDRO CCN(Cc1c(C)nn(Cc2ccccc2Cl)c1C)C[C@H](C)C#N ZINC000091983478 1024707210 /nfs/dbraw/zinc/70/72/10/1024707210.db2.gz OWLQYBAZMLQYEQ-CQSZACIVSA-N 1 0 344.890 4.183 20 30 EIEDRO COc1cccc(COc2ccc(C[NH+]3CCC(C#N)CC3)cc2)c1 ZINC000893984014 1033232364 /nfs/dbraw/zinc/23/23/64/1033232364.db2.gz JJBKDMAUTWEBTH-UHFFFAOYSA-N 1 0 336.435 4.010 20 30 EIEDRO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000610728639 1024766291 /nfs/dbraw/zinc/76/62/91/1024766291.db2.gz FAGMBFRABWCNNU-GHTZIAJQSA-N 1 0 338.426 4.297 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000187662859 1024798863 /nfs/dbraw/zinc/79/88/63/1024798863.db2.gz DTKLUOZOKIJGGP-ICSRJNTNSA-N 1 0 325.500 4.063 20 30 EIEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000341844894 1024818977 /nfs/dbraw/zinc/81/89/77/1024818977.db2.gz GJTMDYRIEHCUMN-KRWDZBQOSA-N 1 0 349.906 4.169 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCc3ccc(Br)cc32)c1 ZINC000510926403 1024832488 /nfs/dbraw/zinc/83/24/88/1024832488.db2.gz CUNVVYZXZLKAGI-SFHVURJKSA-N 1 0 341.252 4.140 20 30 EIEDRO N#CC1(F)CC[NH+](CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000510947132 1024863706 /nfs/dbraw/zinc/86/37/06/1024863706.db2.gz MOJUFPMGBROZPK-UHFFFAOYSA-N 1 0 349.862 4.308 20 30 EIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1C ZINC000610829930 1025052229 /nfs/dbraw/zinc/05/22/29/1025052229.db2.gz SSBORQVFXTZFGH-DOTOQJQBSA-N 1 0 335.451 4.243 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1cccc(C#N)c1 ZINC000610830303 1025052246 /nfs/dbraw/zinc/05/22/46/1025052246.db2.gz KUWFCOHPJYZQST-AWEZNQCLSA-N 1 0 341.405 4.156 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000161636884 1025060449 /nfs/dbraw/zinc/06/04/49/1025060449.db2.gz RQESJDXWTYAABK-FQEVSTJZSA-N 1 0 334.467 4.053 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000610859508 1025072372 /nfs/dbraw/zinc/07/23/72/1025072372.db2.gz COLITUQHHCZLFZ-NRFANRHFSA-N 1 0 344.462 4.215 20 30 EIEDRO Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ccc1C[NH+](C)C ZINC000458259500 1025075154 /nfs/dbraw/zinc/07/51/54/1025075154.db2.gz GHZCFIGROZJBKI-GOSISDBHSA-N 1 0 335.451 4.083 20 30 EIEDRO C=C(C)CN(C)[C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000181264185 1025135444 /nfs/dbraw/zinc/13/54/44/1025135444.db2.gz XAQMXGHZNKLDKY-FQEVSTJZSA-N 1 0 338.451 4.273 20 30 EIEDRO C=C(C)CN(C)[C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000181264170 1025136294 /nfs/dbraw/zinc/13/62/94/1025136294.db2.gz XAQMXGHZNKLDKY-HXUWFJFHSA-N 1 0 338.451 4.273 20 30 EIEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cccc(F)c1 ZINC000796705212 1025209843 /nfs/dbraw/zinc/20/98/43/1025209843.db2.gz DIRGUBUPNIYIFF-MRXNPFEDSA-N 1 0 337.442 4.059 20 30 EIEDRO COCC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)C ZINC000510992175 1025215416 /nfs/dbraw/zinc/21/54/16/1025215416.db2.gz BZHHOCOCHWXCER-OBXNSHGQSA-N 1 0 328.500 4.431 20 30 EIEDRO C=CCOc1ccc(C[N@H+](Cc2ccnc(C#N)c2)C(C)(C)C)cc1 ZINC000610993791 1025229388 /nfs/dbraw/zinc/22/93/88/1025229388.db2.gz AZQNJRRIKLLSTJ-UHFFFAOYSA-N 1 0 335.451 4.319 20 30 EIEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1)OCC ZINC000535896962 1025230741 /nfs/dbraw/zinc/23/07/41/1025230741.db2.gz TWIVAOPPFMBRMS-HXUWFJFHSA-N 1 0 344.499 4.228 20 30 EIEDRO Cc1ncsc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000105494286 1025386049 /nfs/dbraw/zinc/38/60/49/1025386049.db2.gz QGOUHESDAGIEJS-UHFFFAOYSA-N 1 0 349.459 4.192 20 30 EIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000538398883 1025391805 /nfs/dbraw/zinc/39/18/05/1025391805.db2.gz WZTRWOXKJMSMRI-HTAPYJJXSA-N 1 0 333.479 4.046 20 30 EIEDRO COc1ccc(C[N@H+](Cc2cc(C#N)cs2)[C@@H](C)C2CC2)cc1 ZINC000506731132 1025520400 /nfs/dbraw/zinc/52/04/00/1025520400.db2.gz PSOXZYNMKJBXHL-AWEZNQCLSA-N 1 0 326.465 4.429 20 30 EIEDRO C=C[C@@H](CC(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000152002464 1025535970 /nfs/dbraw/zinc/53/59/70/1025535970.db2.gz FRICNYZDJBMECK-NRFANRHFSA-N 1 0 348.490 4.259 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2Nc2ccccc2)CC1 ZINC000519270983 1025667093 /nfs/dbraw/zinc/66/70/93/1025667093.db2.gz BQQRWYJGJJGWPJ-UHFFFAOYSA-N 1 0 349.478 4.201 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]2CC[C@H](C(=O)OC)CC2)cc1 ZINC001167830219 1025718378 /nfs/dbraw/zinc/71/83/78/1025718378.db2.gz CPTTTWSISWWBPF-IHPCNDPISA-N 1 0 342.483 4.153 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512014826 1025719972 /nfs/dbraw/zinc/71/99/72/1025719972.db2.gz MWSIOOJLDLYCFO-GFCCVEGCSA-N 1 0 343.334 4.120 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000151835336 1025814815 /nfs/dbraw/zinc/81/48/15/1025814815.db2.gz YNNPGRRJEJLAPR-SJORKVTESA-N 1 0 346.434 4.014 20 30 EIEDRO N#Cc1cc(C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)ccn1 ZINC000585754247 1025821362 /nfs/dbraw/zinc/82/13/62/1025821362.db2.gz BKMAZGBQFWGHRV-UHFFFAOYSA-N 1 0 345.471 4.184 20 30 EIEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1C(F)(F)F ZINC000585766915 1025828592 /nfs/dbraw/zinc/82/85/92/1025828592.db2.gz AUAMNRGJHHKVMP-LBPRGKRZSA-N 1 0 344.340 4.076 20 30 EIEDRO CC(C)CC[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)C1CC1 ZINC000549624992 1025858540 /nfs/dbraw/zinc/85/85/40/1025858540.db2.gz MYVVMWDKDGLPEO-SOAGJPPSSA-N 1 0 341.499 4.448 20 30 EIEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2ccc(-c3ccccc3)cc2)C1=O ZINC001167522294 1025905275 /nfs/dbraw/zinc/90/52/75/1025905275.db2.gz XNWYLWBSTHWFQD-UTKZUKDTSA-N 1 0 334.463 4.133 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1OCC ZINC000539266699 1025924973 /nfs/dbraw/zinc/92/49/73/1025924973.db2.gz NYYHHGROVGRHGP-CQSZACIVSA-N 1 0 342.414 4.346 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)Oc1cc(F)cc(F)c1)c1cccc(C#N)c1 ZINC000506619189 1026024875 /nfs/dbraw/zinc/02/48/75/1026024875.db2.gz VHKPPYXGPYENMD-ZDUSSCGKSA-N 1 0 330.378 4.345 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000539495809 1026091357 /nfs/dbraw/zinc/09/13/57/1026091357.db2.gz FKVQNAMACWTWFW-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCCc2ccc(F)cc21 ZINC000512147734 1026139921 /nfs/dbraw/zinc/13/99/21/1026139921.db2.gz LRENAMJIHWHCGP-FQEVSTJZSA-N 1 0 329.415 4.367 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCc2c1cccc2Cl ZINC000512177644 1026236523 /nfs/dbraw/zinc/23/65/23/1026236523.db2.gz HCICPPWEFSPXBD-IBGZPJMESA-N 1 0 331.843 4.491 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1OCCCC#N ZINC000344355822 1026269685 /nfs/dbraw/zinc/26/96/85/1026269685.db2.gz SCNKNBFILIYGOO-IPMKNSEASA-N 1 0 342.483 4.436 20 30 EIEDRO CCCCCCCC[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC001167553269 1026300589 /nfs/dbraw/zinc/30/05/89/1026300589.db2.gz DHQBYXIYHLNAAO-UHFFFAOYSA-N 1 0 330.472 4.362 20 30 EIEDRO C[C@H](c1ccsc1)N1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187724534 1026307217 /nfs/dbraw/zinc/30/72/17/1026307217.db2.gz UYMQXXBUCJWDKH-JKSUJKDBSA-N 1 0 325.481 4.060 20 30 EIEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000512198493 1026417546 /nfs/dbraw/zinc/41/75/46/1026417546.db2.gz SYDIRWPCKZZTJS-PGRDOPGGSA-N 1 0 345.490 4.284 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC2(OCC)CCCC2)ccc1OC ZINC000550255827 1026418970 /nfs/dbraw/zinc/41/89/70/1026418970.db2.gz GZZRRXHEMZDLLJ-UHFFFAOYSA-N 1 0 333.472 4.089 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC001167562000 1026424272 /nfs/dbraw/zinc/42/42/72/1026424272.db2.gz DGQPEDJXKVKXNT-ZWKOTPCHSA-N 1 0 336.520 4.195 20 30 EIEDRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000512204187 1026458582 /nfs/dbraw/zinc/45/85/82/1026458582.db2.gz SNTZSBJSXRCDNS-UWJYYQICSA-N 1 0 347.462 4.360 20 30 EIEDRO CN(Cc1cc(Br)ccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000563319739 1026533413 /nfs/dbraw/zinc/53/34/13/1026533413.db2.gz GINXSMFVPMOJHY-ZWNOBZJWSA-N 1 0 327.653 4.227 20 30 EIEDRO Fc1ccc(NC2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000426999528 1026673260 /nfs/dbraw/zinc/67/32/60/1026673260.db2.gz XESOMBGCXSDTIJ-UHFFFAOYSA-N 1 0 342.845 4.407 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000563366096 1026692889 /nfs/dbraw/zinc/69/28/89/1026692889.db2.gz IKKWHOXSZCDYCC-HNNXBMFYSA-N 1 0 333.501 4.140 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000507190550 1026695846 /nfs/dbraw/zinc/69/58/46/1026695846.db2.gz MFMDHVUEWUGGPX-UHFFFAOYSA-N 1 0 336.769 4.445 20 30 EIEDRO CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1OC(F)F ZINC000507208694 1026699847 /nfs/dbraw/zinc/69/98/47/1026699847.db2.gz HGGPGSHRJNUFAZ-UHFFFAOYSA-N 1 0 336.769 4.445 20 30 EIEDRO CCCCOc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1OC ZINC000507209824 1026702027 /nfs/dbraw/zinc/70/20/27/1026702027.db2.gz JQCYQYQXLJEJJX-UHFFFAOYSA-N 1 0 338.451 4.378 20 30 EIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)(C)C)c(OC)c1 ZINC000507212216 1026703186 /nfs/dbraw/zinc/70/31/86/1026703186.db2.gz OHCYVWLNCCQTOJ-UHFFFAOYSA-N 1 0 338.451 4.376 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2Cc1ncc(Br)cc1Cl ZINC000662088246 1026793015 /nfs/dbraw/zinc/79/30/15/1026793015.db2.gz BDOUHODDQAVABZ-TXEJJXNPSA-N 1 0 327.653 4.181 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000512359517 1026802908 /nfs/dbraw/zinc/80/29/08/1026802908.db2.gz HTVINJQVOSCNEH-OBJOEFQTSA-N 1 0 344.318 4.451 20 30 EIEDRO CC(C)(C)OC(=O)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507612489 1026854553 /nfs/dbraw/zinc/85/45/53/1026854553.db2.gz CXCCFEGNUZWTAP-UHFFFAOYSA-N 1 0 342.483 4.102 20 30 EIEDRO CN(C)c1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507661251 1026870144 /nfs/dbraw/zinc/87/01/44/1026870144.db2.gz SRJWOSGNHUCPRJ-UHFFFAOYSA-N 1 0 333.479 4.246 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C#N)cc1 ZINC000375722371 1026874039 /nfs/dbraw/zinc/87/40/39/1026874039.db2.gz ZYPTWWGAPDMIQG-WOJBJXKFSA-N 1 0 333.435 4.097 20 30 EIEDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000519745215 1026974042 /nfs/dbraw/zinc/97/40/42/1026974042.db2.gz NBBVDBUHGJRYEH-WOJBJXKFSA-N 1 0 330.435 4.180 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000507731823 1027143860 /nfs/dbraw/zinc/14/38/60/1027143860.db2.gz KTMJQICGVIHSGY-UHFFFAOYSA-N 1 0 348.494 4.212 20 30 EIEDRO C=CC[N@H+](Cc1cc(C)cc(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195059 1027301568 /nfs/dbraw/zinc/30/15/68/1027301568.db2.gz RHWVEEBIMGJZRT-GOSISDBHSA-N 1 0 347.466 4.028 20 30 EIEDRO C=C(C[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000474611169 1027306378 /nfs/dbraw/zinc/30/63/78/1027306378.db2.gz AUOFFIBVMXQQAB-IRXDYDNUSA-N 1 0 325.452 4.499 20 30 EIEDRO C[N@@H+]1CCC[C@H](CNc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000078338420 1027322160 /nfs/dbraw/zinc/32/21/60/1027322160.db2.gz YRWYFDYHFZEDDO-RDTXWAMCSA-N 1 0 329.444 4.254 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CCOCC1 ZINC000657633837 1027341491 /nfs/dbraw/zinc/34/14/91/1027341491.db2.gz ZAIUYZJTNNLVHI-UHFFFAOYSA-N 1 0 333.378 4.440 20 30 EIEDRO C=CCC1([NH2+]C/C(C)=C\c2ccccc2OC(F)F)CCOCC1 ZINC000657634152 1027352277 /nfs/dbraw/zinc/35/22/77/1027352277.db2.gz DBUREXXUIDLFLK-SQFISAMPSA-N 1 0 337.410 4.406 20 30 EIEDRO CCC[N@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccccc1C ZINC000277915679 1027416044 /nfs/dbraw/zinc/41/60/44/1027416044.db2.gz GZOSNOLUQCYDMW-UHFFFAOYSA-N 1 0 329.488 4.366 20 30 EIEDRO CCCOc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1OCC ZINC000441354758 1027472143 /nfs/dbraw/zinc/47/21/43/1027472143.db2.gz IPIIDPQDGYTDKO-UHFFFAOYSA-N 1 0 330.472 4.294 20 30 EIEDRO Cc1c2cc(Cl)ccc2sc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000441348440 1027484279 /nfs/dbraw/zinc/48/42/79/1027484279.db2.gz CFCLAGPAEDRSCB-UHFFFAOYSA-N 1 0 329.856 4.363 20 30 EIEDRO C[C@H]1C[C@H](N(C)c2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000523087230 1027487035 /nfs/dbraw/zinc/48/70/35/1027487035.db2.gz VGCVKMKDDZZDDM-FUHWJXTLSA-N 1 0 337.442 4.187 20 30 EIEDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCc1nc2ccccc2o1 ZINC000329143716 1027611313 /nfs/dbraw/zinc/61/13/13/1027611313.db2.gz VRWFRVUUHFNXQL-XHSDSOJGSA-N 1 0 343.471 4.083 20 30 EIEDRO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c1 ZINC000329156560 1027614168 /nfs/dbraw/zinc/61/41/68/1027614168.db2.gz VSBCDZCKJUFZCQ-HUUCEWRRSA-N 1 0 346.471 4.192 20 30 EIEDRO CC1(C)OCc2cc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)ccc2O1 ZINC000186611626 1027664217 /nfs/dbraw/zinc/66/42/17/1027664217.db2.gz XDFKBFUTJNHAQL-UHFFFAOYSA-N 1 0 348.446 4.368 20 30 EIEDRO NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)[C@H]2CCCCS2)c1 ZINC000329258957 1027676052 /nfs/dbraw/zinc/67/60/52/1027676052.db2.gz AILBLVLZBRSSSL-JKSUJKDBSA-N 1 0 347.484 4.060 20 30 EIEDRO CCC[C@H](C)CCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001168073233 1027685646 /nfs/dbraw/zinc/68/56/46/1027685646.db2.gz IZCFXSTVMWPJNE-KRWDZBQOSA-N 1 0 341.499 4.425 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428364217 1027707812 /nfs/dbraw/zinc/70/78/12/1027707812.db2.gz PCEVIHYKDNGEFP-QGZVFWFLSA-N 1 0 343.490 4.174 20 30 EIEDRO CCC(CC)(CNC(=O)C1(C#N)CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC000113189915 1027727729 /nfs/dbraw/zinc/72/77/29/1027727729.db2.gz STWWPBXZCLDIKK-KRWDZBQOSA-N 1 0 341.499 4.096 20 30 EIEDRO CCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001168074706 1027732151 /nfs/dbraw/zinc/73/21/51/1027732151.db2.gz WZSDVOYBRKCKOZ-KRWDZBQOSA-N 1 0 335.451 4.106 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329340627 1027735130 /nfs/dbraw/zinc/73/51/30/1027735130.db2.gz RRASNGSFOWUCMM-LLPSLMSGSA-N 1 0 345.462 4.185 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329358373 1027746681 /nfs/dbraw/zinc/74/66/81/1027746681.db2.gz XCEGQHINYZSYIC-DAYGRLMNSA-N 1 0 344.503 4.205 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328683454 1027794645 /nfs/dbraw/zinc/79/46/45/1027794645.db2.gz DLKHHQVLKNOFLL-WFASDCNBSA-N 1 0 349.862 4.256 20 30 EIEDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1coc(C2CCCCC2)n1 ZINC000328758506 1027803711 /nfs/dbraw/zinc/80/37/11/1027803711.db2.gz VXNCQBXZSHRNCM-UHFFFAOYSA-N 1 0 345.487 4.434 20 30 EIEDRO CC1(C)C[N@H+](Cc2cccc(OCCCC#N)c2)CC2(CCCC2)O1 ZINC000443786347 1027850774 /nfs/dbraw/zinc/85/07/74/1027850774.db2.gz GMEAVRZWGXCHQQ-UHFFFAOYSA-N 1 0 342.483 4.293 20 30 EIEDRO O=C(Nc1ncn(C2CCCCC2)n1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000329571573 1027857304 /nfs/dbraw/zinc/85/73/04/1027857304.db2.gz QSEDFLGECOXOJP-OAHLLOKOSA-N 1 0 345.491 4.026 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000185797240 1027895287 /nfs/dbraw/zinc/89/52/87/1027895287.db2.gz BUCHNEAHUKEBTP-QAPCUYQASA-N 1 0 332.875 4.060 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000444646912 1027914788 /nfs/dbraw/zinc/91/47/88/1027914788.db2.gz KELUEUXQCGAHOV-UHFFFAOYSA-N 1 0 342.512 4.138 20 30 EIEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444676273 1027958072 /nfs/dbraw/zinc/95/80/72/1027958072.db2.gz NPLJJJVZRJACSA-CXAGYDPISA-N 1 0 333.863 4.051 20 30 EIEDRO C[C@@H]([NH2+]C1(CNCc2cc(C#N)cs2)CCCC1)c1ccccc1 ZINC000237403241 1028020255 /nfs/dbraw/zinc/02/02/55/1028020255.db2.gz MZBVCTCDBYCMCB-MRXNPFEDSA-N 1 0 339.508 4.373 20 30 EIEDRO COc1ccc(C[NH2+]CC(C)(C)C(F)(F)F)cc1OCCCC#N ZINC000583124145 1028045635 /nfs/dbraw/zinc/04/56/35/1028045635.db2.gz NCRUACQKSCJGBD-UHFFFAOYSA-N 1 0 344.377 4.056 20 30 EIEDRO CC[NH+]1CCC(CCNC(=O)c2cnn(C3CCCCC3)c2C)CC1 ZINC000329709800 1028048171 /nfs/dbraw/zinc/04/81/71/1028048171.db2.gz NHFAIAXFCMWGKB-UHFFFAOYSA-N 1 0 346.519 4.123 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)c(F)c1 ZINC000178789248 1028059762 /nfs/dbraw/zinc/05/97/62/1028059762.db2.gz SYTIUYISGNFWOV-KRWDZBQOSA-N 1 0 345.215 4.237 20 30 EIEDRO O=C(Nc1csc(-c2ccccn2)n1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329754788 1028114519 /nfs/dbraw/zinc/11/45/19/1028114519.db2.gz LAEHIGINGOZJOR-OAHLLOKOSA-N 1 0 342.468 4.200 20 30 EIEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NCCC1=CCCCC1 ZINC000329829017 1028133081 /nfs/dbraw/zinc/13/30/81/1028133081.db2.gz SAOLJJBFDJXPJR-ZCNNSNEGSA-N 1 0 348.531 4.239 20 30 EIEDRO CCCc1cc(N2CCC3(CC2)CC(=O)C=CO3)c2ccccc2[nH+]1 ZINC000896880402 1028153223 /nfs/dbraw/zinc/15/32/23/1028153223.db2.gz CBGHAGLGUKJPTO-UHFFFAOYSA-N 1 0 336.435 4.029 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)ccc1OC ZINC000657737964 1028163371 /nfs/dbraw/zinc/16/33/71/1028163371.db2.gz OFJKGPQWQCVSTG-INIZCTEOSA-N 1 0 325.399 4.031 20 30 EIEDRO N#CC[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000330007557 1028181804 /nfs/dbraw/zinc/18/18/04/1028181804.db2.gz DQMNZYFLJOZUMD-MSOLQXFVSA-N 1 0 325.456 4.047 20 30 EIEDRO CCC(=O)N[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000330064214 1028196769 /nfs/dbraw/zinc/19/67/69/1028196769.db2.gz QWDOONCKNHSPLB-TVPLGVNVSA-N 1 0 343.471 4.068 20 30 EIEDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1C#N ZINC000440623595 1028233283 /nfs/dbraw/zinc/23/32/83/1028233283.db2.gz HGEWANSCNZXUFZ-WFASDCNBSA-N 1 0 326.362 4.025 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000330271733 1028244774 /nfs/dbraw/zinc/24/47/74/1028244774.db2.gz WKPNMKLGQSIQEH-JBCWJZNQSA-N 1 0 343.254 4.127 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](c2ccccc2)[C@@H](O)C(C)C)c1 ZINC000657742424 1028260375 /nfs/dbraw/zinc/26/03/75/1028260375.db2.gz RCLOJAMXBXSXKN-SFTDATJTSA-N 1 0 325.452 4.099 20 30 EIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(F)c1C#N ZINC000428388859 1028278500 /nfs/dbraw/zinc/27/85/00/1028278500.db2.gz XUOBVIBIYMRFGO-SFHVURJKSA-N 1 0 347.821 4.083 20 30 EIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1cccc(F)c1C#N ZINC000428388850 1028279279 /nfs/dbraw/zinc/27/92/79/1028279279.db2.gz XUOBVIBIYMRFGO-GOSISDBHSA-N 1 0 347.821 4.083 20 30 EIEDRO C=CC[C@@H]1N(C(=O)Nc2ccccc2CC[NH+](C)C)CCCC1(C)C ZINC000445160074 1028342704 /nfs/dbraw/zinc/34/27/04/1028342704.db2.gz HDMHMKHJRUUFST-IBGZPJMESA-N 1 0 343.515 4.389 20 30 EIEDRO Cn1c2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2nc1C1CC1 ZINC000330301547 1028360585 /nfs/dbraw/zinc/36/05/85/1028360585.db2.gz NVWISBNERLUKQP-MRXNPFEDSA-N 1 0 340.471 4.303 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC(C)(C)C1 ZINC000346339291 1028391783 /nfs/dbraw/zinc/39/17/83/1028391783.db2.gz RZTNJFVAOJBHBN-KRWDZBQOSA-N 1 0 336.483 4.332 20 30 EIEDRO N#CC1(CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)CCOCC1 ZINC000281294686 1028512333 /nfs/dbraw/zinc/51/23/33/1028512333.db2.gz JMMVLMGAAHEBQM-UXHICEINSA-N 1 0 326.484 4.088 20 30 EIEDRO C[C@@H]([C@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000161706529 1028709161 /nfs/dbraw/zinc/70/91/61/1028709161.db2.gz VLHUTXTXAPQGER-IRXDYDNUSA-N 1 0 340.515 4.117 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000281564621 1028776660 /nfs/dbraw/zinc/77/66/60/1028776660.db2.gz CFBSRRMBLBIDTR-UHFFFAOYSA-N 1 0 339.395 4.274 20 30 EIEDRO Cn1nc(-c2ccccc2)c(C[NH2+]CC2CCC(C#N)CC2)c1Cl ZINC000281653727 1028818553 /nfs/dbraw/zinc/81/85/53/1028818553.db2.gz KEGCKGWGGZVZGN-UHFFFAOYSA-N 1 0 342.874 4.160 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(C)cc2OC)ccc1OC ZINC000151025660 1028828314 /nfs/dbraw/zinc/82/83/14/1028828314.db2.gz ORSSKPZSBMGLSZ-UHFFFAOYSA-N 1 0 341.451 4.257 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000281797073 1028868078 /nfs/dbraw/zinc/86/80/78/1028868078.db2.gz UYHCKPQNVATZFZ-UHFFFAOYSA-N 1 0 341.480 4.142 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000281816090 1028884827 /nfs/dbraw/zinc/88/48/27/1028884827.db2.gz WKBODBNWOOHBDT-UHFFFAOYSA-N 1 0 325.225 4.008 20 30 EIEDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1C ZINC000161785316 1028898043 /nfs/dbraw/zinc/89/80/43/1028898043.db2.gz IIAMLUGIKXGBEV-SFHVURJKSA-N 1 0 348.494 4.198 20 30 EIEDRO CC1=C[C@H](C)C[C@H](C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000583722260 1029090458 /nfs/dbraw/zinc/09/04/58/1029090458.db2.gz OYQAJKMOZASXGK-MWRZVQOKSA-N 1 0 339.483 4.225 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000548809332 1029142332 /nfs/dbraw/zinc/14/23/32/1029142332.db2.gz GSYFYCLGWAUEBT-IBGZPJMESA-N 1 0 341.499 4.287 20 30 EIEDRO CC1(C)CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000357955896 1029166110 /nfs/dbraw/zinc/16/61/10/1029166110.db2.gz XVSWFMDESDKQMF-UHFFFAOYSA-N 1 0 347.890 4.099 20 30 EIEDRO COc1ccc(C[N@H+](C)[C@H](C)c2ccco2)cc1OCCCC#N ZINC000131127666 1029284854 /nfs/dbraw/zinc/28/48/54/1029284854.db2.gz NSWZRJJLAIGNKK-OAHLLOKOSA-N 1 0 328.412 4.164 20 30 EIEDRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)cc1 ZINC000237428179 1029285341 /nfs/dbraw/zinc/28/53/41/1029285341.db2.gz AGDZWGNSOPITCU-CYBMUJFWSA-N 1 0 334.341 4.134 20 30 EIEDRO CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000583900974 1029346487 /nfs/dbraw/zinc/34/64/87/1029346487.db2.gz FOYAMOFETUSCBW-JKSUJKDBSA-N 1 0 347.528 4.387 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000523009843 1029367839 /nfs/dbraw/zinc/36/78/39/1029367839.db2.gz LYEBEQJXZFZKEC-UHFFFAOYSA-N 1 0 334.204 4.449 20 30 EIEDRO C=C[C@@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000536165190 1029393757 /nfs/dbraw/zinc/39/37/57/1029393757.db2.gz IFFLSOMVVZIMKW-SIKLNZKXSA-N 1 0 348.490 4.300 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)c1 ZINC000343565749 1029513429 /nfs/dbraw/zinc/51/34/29/1029513429.db2.gz HPGSWHVWZIHOGY-NRFANRHFSA-N 1 0 332.447 4.093 20 30 EIEDRO Cc1ccc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)s1 ZINC000475352736 1029566148 /nfs/dbraw/zinc/56/61/48/1029566148.db2.gz CWNXQYPIXUIBKK-GOSISDBHSA-N 1 0 345.899 4.092 20 30 EIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1nc(-c2cccc(F)c2)no1 ZINC000278623338 1029615383 /nfs/dbraw/zinc/61/53/83/1029615383.db2.gz GAPJJXZBIMBFIH-ZDUSSCGKSA-N 1 0 330.407 4.246 20 30 EIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000278685945 1029688930 /nfs/dbraw/zinc/68/89/30/1029688930.db2.gz RZMXMHYLXRBNJO-NQIIRXRSSA-N 1 0 338.495 4.472 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCOCC(F)(F)F)cc1 ZINC000159373652 1029692241 /nfs/dbraw/zinc/69/22/41/1029692241.db2.gz RANOQAJYSRRFHF-GFCCVEGCSA-N 1 0 337.769 4.047 20 30 EIEDRO N#C[C@H]1CC[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690642 1029696550 /nfs/dbraw/zinc/69/65/50/1029696550.db2.gz SESKNVMRKYGSGJ-SIKLNZKXSA-N 1 0 345.490 4.086 20 30 EIEDRO N#C[C@@H]1CC[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000278690630 1029697338 /nfs/dbraw/zinc/69/73/38/1029697338.db2.gz SESKNVMRKYGSGJ-DENIHFKCSA-N 1 0 345.490 4.086 20 30 EIEDRO CCc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000584318355 1029732892 /nfs/dbraw/zinc/73/28/92/1029732892.db2.gz FZJBCHIXGZRXJE-UHFFFAOYSA-N 1 0 344.455 4.365 20 30 EIEDRO COCCCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000282003561 1029786612 /nfs/dbraw/zinc/78/66/12/1029786612.db2.gz NRDHJFIGOROVKG-UHFFFAOYSA-N 1 0 344.499 4.016 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(C#N)cc1 ZINC000278744865 1029787364 /nfs/dbraw/zinc/78/73/64/1029787364.db2.gz NLBNFZMIONRBRM-ZWKOTPCHSA-N 1 0 330.497 4.044 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000584385869 1029804075 /nfs/dbraw/zinc/80/40/75/1029804075.db2.gz ZEKJRZHMOYRBHY-JOCHJYFZSA-N 1 0 342.446 4.301 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H](CC)C(=O)NCc1cccs1)c1ccco1 ZINC000647334347 1029853363 /nfs/dbraw/zinc/85/33/63/1029853363.db2.gz KWPDXBDHSQWFRV-CVEARBPZSA-N 1 0 332.469 4.033 20 30 EIEDRO C=CCCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000182183091 1029950732 /nfs/dbraw/zinc/95/07/32/1029950732.db2.gz AKGNINCGXAAFPH-HNNXBMFYSA-N 1 0 334.891 4.279 20 30 EIEDRO CN(CCC(C)(C)C#N)[C@H]1CCCC[C@@H]1[N@H+](C)CCC(C)(C)C#N ZINC000546629242 1030062895 /nfs/dbraw/zinc/06/28/95/1030062895.db2.gz OTNMWQHDJKNPIN-ROUUACIJSA-N 1 0 332.536 4.041 20 30 EIEDRO Cc1cnc([C@H](C)C[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000184347805 1030071036 /nfs/dbraw/zinc/07/10/36/1030071036.db2.gz KYYBLIFICFWZSC-CQSZACIVSA-N 1 0 329.469 4.027 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2cccc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447525616 1030119672 /nfs/dbraw/zinc/11/96/72/1030119672.db2.gz AEPWZDCNOWPRDB-AVRDEDQJSA-N 1 0 349.478 4.134 20 30 EIEDRO CC[C@H]([NH2+]C[C@H]1CCN(c2cccc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447525617 1030121522 /nfs/dbraw/zinc/12/15/22/1030121522.db2.gz AEPWZDCNOWPRDB-GCJKJVERSA-N 1 0 349.478 4.134 20 30 EIEDRO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000450958355 1030132678 /nfs/dbraw/zinc/13/26/78/1030132678.db2.gz MYYGVAFEHCPPSO-QRVBRYPASA-N 1 0 332.875 4.117 20 30 EIEDRO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCc2ccccc21 ZINC000508601257 1030132827 /nfs/dbraw/zinc/13/28/27/1030132827.db2.gz USWWBQWVPWKWIQ-HXUWFJFHSA-N 1 0 330.435 4.105 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)cc1OC ZINC000185230247 1030132813 /nfs/dbraw/zinc/13/28/13/1030132813.db2.gz QBKVZPIBDUOEML-APWZRJJASA-N 1 0 338.451 4.238 20 30 EIEDRO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000450956442 1030134200 /nfs/dbraw/zinc/13/42/00/1030134200.db2.gz IESYAXFUFDGJLN-QRQLOZEOSA-N 1 0 332.875 4.117 20 30 EIEDRO CC[C@@H]([NH2+]CCCOCc1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000447532764 1030135462 /nfs/dbraw/zinc/13/54/62/1030135462.db2.gz VNXGWXOTCLQVAQ-OAQYLSRUSA-N 1 0 338.451 4.214 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)COc1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000447531061 1030136013 /nfs/dbraw/zinc/13/60/13/1030136013.db2.gz OIHGNLFIEBYJQO-FZKQIMNGSA-N 1 0 330.378 4.345 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1 ZINC000447545280 1030148491 /nfs/dbraw/zinc/14/84/91/1030148491.db2.gz QRRNWJKQZDZODO-LAUBAEHRSA-N 1 0 337.442 4.265 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](c1ccco1)N(CC)CC)c1ccc(C#N)cc1 ZINC000447545943 1030150711 /nfs/dbraw/zinc/15/07/11/1030150711.db2.gz ZIMYZYIPAFEYHC-RTBURBONSA-N 1 0 325.456 4.275 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000657880410 1030160514 /nfs/dbraw/zinc/16/05/14/1030160514.db2.gz XJZBULWIAXZPDD-UXHICEINSA-N 1 0 345.531 4.228 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccc(C#N)cc1 ZINC000447585653 1030185738 /nfs/dbraw/zinc/18/57/38/1030185738.db2.gz JSDBZRFCSAERFM-QFBILLFUSA-N 1 0 341.405 4.156 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000447593085 1030197304 /nfs/dbraw/zinc/19/73/04/1030197304.db2.gz PWACUBKUTVVWQY-CVEARBPZSA-N 1 0 330.435 4.371 20 30 EIEDRO CC[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000447599672 1030218274 /nfs/dbraw/zinc/21/82/74/1030218274.db2.gz KKHOUVZSVFHNTP-ULQDDVLXSA-N 1 0 340.389 4.083 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc(C)c1OCC(F)(F)F ZINC000429724547 1030238436 /nfs/dbraw/zinc/23/84/36/1030238436.db2.gz MYMZTKZSTXDNKI-ZBFHGGJFSA-N 1 0 340.389 4.369 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000447686259 1030274424 /nfs/dbraw/zinc/27/44/24/1030274424.db2.gz POPFXJXEEVXSJD-DYESRHJHSA-N 1 0 348.494 4.150 20 30 EIEDRO Oc1cccc2c1CC[C@@H]2[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451179958 1030287421 /nfs/dbraw/zinc/28/74/21/1030287421.db2.gz SBBHXPKEVJEMFM-KRWDZBQOSA-N 1 0 331.337 4.040 20 30 EIEDRO C=CCCC[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000447795504 1030330401 /nfs/dbraw/zinc/33/04/01/1030330401.db2.gz ONJLUUQTIBDLLL-FQEVSTJZSA-N 1 0 338.451 4.321 20 30 EIEDRO CC1(C)OCC[C@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451244689 1030344662 /nfs/dbraw/zinc/34/46/62/1030344662.db2.gz RMFPEHLCFZMIRE-HXUWFJFHSA-N 1 0 334.463 4.043 20 30 EIEDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000447904486 1030412869 /nfs/dbraw/zinc/41/28/69/1030412869.db2.gz QHOIZGHBSXIMJX-UWJYYQICSA-N 1 0 344.462 4.223 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000451418154 1030481712 /nfs/dbraw/zinc/48/17/12/1030481712.db2.gz MEORTLBNGUXZGY-YTFSRNRJSA-N 1 0 346.474 4.351 20 30 EIEDRO Cc1nc([C@@H]2CCCN2Cc2cccc(OCCCC#N)c2)cs1 ZINC000189937138 1030524126 /nfs/dbraw/zinc/52/41/26/1030524126.db2.gz ADFDRGNWADSTPW-IBGZPJMESA-N 1 0 341.480 4.471 20 30 EIEDRO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000448032196 1030528795 /nfs/dbraw/zinc/52/87/95/1030528795.db2.gz WAWDKACRIDTSOI-SJORKVTESA-N 1 0 336.483 4.169 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(-n2cccn2)c1 ZINC000508606693 1030528886 /nfs/dbraw/zinc/52/88/86/1030528886.db2.gz YMFZNKVSKLLFDP-UHFFFAOYSA-N 1 0 330.435 4.156 20 30 EIEDRO C=CCC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530552875 1030533444 /nfs/dbraw/zinc/53/34/44/1030533444.db2.gz PKQFERXDJPOYKH-KRWDZBQOSA-N 1 0 331.257 4.294 20 30 EIEDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190961088 1030590062 /nfs/dbraw/zinc/59/00/62/1030590062.db2.gz VDHRCZCWBKYVAQ-UWJYYQICSA-N 1 0 335.451 4.347 20 30 EIEDRO CCCC[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCCC[C@H]1OC ZINC000451651810 1030623009 /nfs/dbraw/zinc/62/30/09/1030623009.db2.gz NVOZXLZAEKCDAC-RTBURBONSA-N 1 0 336.520 4.147 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000191505192 1030629941 /nfs/dbraw/zinc/62/99/41/1030629941.db2.gz DQCIEEHPCTWWJN-GOSISDBHSA-N 1 0 341.499 4.241 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000451675540 1030637733 /nfs/dbraw/zinc/63/77/33/1030637733.db2.gz CORRZVMJBMXSJC-MSOLQXFVSA-N 1 0 344.480 4.032 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)c(F)c1 ZINC000532398788 1030646362 /nfs/dbraw/zinc/64/63/62/1030646362.db2.gz FZIHJHFPJCABQT-UHFFFAOYSA-N 1 0 338.426 4.005 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(-c2ccccc2Cl)cs1 ZINC000451686037 1030657648 /nfs/dbraw/zinc/65/76/48/1030657648.db2.gz ZQSBKYMJPUPOMN-ZBFHGGJFSA-N 1 0 334.872 4.287 20 30 EIEDRO C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(CC#N)cc1 ZINC000399119561 1030747833 /nfs/dbraw/zinc/74/78/33/1030747833.db2.gz HLCQLVRIZVDBTQ-UHFFFAOYSA-N 1 0 329.241 4.147 20 30 EIEDRO CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000127581427 1030797853 /nfs/dbraw/zinc/79/78/53/1030797853.db2.gz MPZJRDWDBZXRQH-CVEARBPZSA-N 1 0 349.478 4.361 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(OC)cc2OC)c1 ZINC000527780572 1030844553 /nfs/dbraw/zinc/84/45/53/1030844553.db2.gz UFAVYLCIYRSVOA-HNNXBMFYSA-N 1 0 327.424 4.119 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(Cl)cs3)CCOCC2)cc1 ZINC000527809735 1030854764 /nfs/dbraw/zinc/85/47/64/1030854764.db2.gz LSFYWUMLPUPGCS-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO CCCc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)s1 ZINC000527812989 1030856425 /nfs/dbraw/zinc/85/64/25/1030856425.db2.gz UYCNQVLUPRBHDZ-UHFFFAOYSA-N 1 0 340.492 4.368 20 30 EIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cc(F)c(Br)cc1F ZINC000527891384 1030898692 /nfs/dbraw/zinc/89/86/92/1030898692.db2.gz MLYWQYQOQKVGRG-AEJSXWLSSA-N 1 0 329.188 4.070 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCN(Cc2cccnc2)C1)c1ccco1 ZINC000375787697 1030943080 /nfs/dbraw/zinc/94/30/80/1030943080.db2.gz HOBZIUKTQHMTTQ-WOJBJXKFSA-N 1 0 339.483 4.184 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)cc1F)CCS2 ZINC000191511580 1030999998 /nfs/dbraw/zinc/99/99/98/1030999998.db2.gz XELSGCRVLHIZGY-QGZVFWFLSA-N 1 0 328.412 4.033 20 30 EIEDRO CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000310056438 1031005055 /nfs/dbraw/zinc/00/50/55/1031005055.db2.gz LIOKEVMYILERAD-CVEARBPZSA-N 1 0 337.508 4.132 20 30 EIEDRO CCC(C#N)(CC)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000527984814 1031040242 /nfs/dbraw/zinc/04/02/42/1031040242.db2.gz XFASECGQCSICGR-KRWDZBQOSA-N 1 0 341.499 4.007 20 30 EIEDRO CCC(C#N)(CC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000528029996 1031044555 /nfs/dbraw/zinc/04/45/55/1031044555.db2.gz UNOHYRAHULGAKY-INIZCTEOSA-N 1 0 327.472 4.187 20 30 EIEDRO CC[N@H+](Cc1ccc(OCCOC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464311 1031079415 /nfs/dbraw/zinc/07/94/15/1031079415.db2.gz SHRCAAHVQQVSQB-KRWDZBQOSA-N 1 0 338.451 4.167 20 30 EIEDRO C[C@@]1(C#N)CCC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000612163650 1031080813 /nfs/dbraw/zinc/08/08/13/1031080813.db2.gz VQZFJSXAQJXCCI-NCSHICFUSA-N 1 0 333.273 4.478 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000532449622 1031088413 /nfs/dbraw/zinc/08/84/13/1031088413.db2.gz GVHDZQSSKSJJBH-CQSZACIVSA-N 1 0 341.842 4.027 20 30 EIEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000532477210 1031206140 /nfs/dbraw/zinc/20/61/40/1031206140.db2.gz IZCNBLNUNDBSBP-FQEVSTJZSA-N 1 0 333.435 4.032 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccccc1OC(F)F ZINC000179719135 1031275959 /nfs/dbraw/zinc/27/59/59/1031275959.db2.gz QTSNZCSXYZUUOI-MRXNPFEDSA-N 1 0 346.377 4.409 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c(F)c1 ZINC000532566491 1031297859 /nfs/dbraw/zinc/29/78/59/1031297859.db2.gz DOLNBXYEXPVPJU-UHFFFAOYSA-N 1 0 327.790 4.164 20 30 EIEDRO CCC(C#N)(CC)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000528312344 1031357102 /nfs/dbraw/zinc/35/71/02/1031357102.db2.gz NPTGZIFOLBXABL-UHFFFAOYSA-N 1 0 341.499 4.009 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(Oc2ccc(F)cc2)n1 ZINC000926651957 1031365832 /nfs/dbraw/zinc/36/58/32/1031365832.db2.gz QMLFVZMNQLEFLE-CQSZACIVSA-N 1 0 327.403 4.431 20 30 EIEDRO CC(C)[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc2c(c1)OCCO2 ZINC000449062781 1031392096 /nfs/dbraw/zinc/39/20/96/1031392096.db2.gz MTZSCZKKPIWYLO-AJPWXKBRSA-N 1 0 328.456 4.217 20 30 EIEDRO C[NH+]1CCN(c2ccc(N=Cc3c(O)ccc4ccccc43)cc2)CC1 ZINC000255863834 1031437469 /nfs/dbraw/zinc/43/74/69/1031437469.db2.gz ALJVHASTFGYVKW-UHFFFAOYSA-N 1 0 345.446 4.048 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000449095417 1031454260 /nfs/dbraw/zinc/45/42/60/1031454260.db2.gz YILVQVFTHHQZDY-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO COc1ccccc1SC[C@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449123193 1031460726 /nfs/dbraw/zinc/46/07/26/1031460726.db2.gz BKVBWXMOWQMDFE-MDCZIUGASA-N 1 0 332.513 4.485 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCOc2ccccc2C(F)(F)F)CC1 ZINC000449129677 1031467752 /nfs/dbraw/zinc/46/77/52/1031467752.db2.gz VUOQARFKYNNYGR-UHFFFAOYSA-N 1 0 326.362 4.146 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000449134995 1031470017 /nfs/dbraw/zinc/47/00/17/1031470017.db2.gz MRIZHKYBDMUFEA-UHFFFAOYSA-N 1 0 327.403 4.085 20 30 EIEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449151364 1031485094 /nfs/dbraw/zinc/48/50/94/1031485094.db2.gz XIGYIVHMGFQYHM-FDYSRKEFSA-N 1 0 329.463 4.165 20 30 EIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+]C2CCC(C)(C#N)CC2)c(C)c1 ZINC000449189740 1031509186 /nfs/dbraw/zinc/50/91/86/1031509186.db2.gz MLDNQVPFOBWBKY-CKHPTIKVSA-N 1 0 336.483 4.303 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CCC)c2cccc(Cl)c2)CC1 ZINC000528449712 1031541218 /nfs/dbraw/zinc/54/12/18/1031541218.db2.gz PPCMYVSQKNBKKE-LJQANCHMSA-N 1 0 348.918 4.380 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000449234187 1031564233 /nfs/dbraw/zinc/56/42/33/1031564233.db2.gz PDXYKXVZKGVICO-QAPCUYQASA-N 1 0 342.462 4.124 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc(OCC#N)cc1 ZINC000177304356 1031576990 /nfs/dbraw/zinc/57/69/90/1031576990.db2.gz BOSZPCZODQFYHT-IAGOWNOFSA-N 1 0 346.434 4.186 20 30 EIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NCc1cc(C#N)cs1 ZINC000125620512 1031607760 /nfs/dbraw/zinc/60/77/60/1031607760.db2.gz ZLKQWAXIGMWJPW-UHFFFAOYSA-N 1 0 343.521 4.089 20 30 EIEDRO CC(C)Oc1ccc([C@H](C[NH2+]C2CCC(C)(C#N)CC2)N(C)C)cc1 ZINC000449333786 1031629196 /nfs/dbraw/zinc/62/91/96/1031629196.db2.gz WAUKYEFTSWNCQJ-CKHPTIKVSA-N 1 0 343.515 4.139 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCCC2(F)F)cc(OC)c1O ZINC000449380868 1031691001 /nfs/dbraw/zinc/69/10/01/1031691001.db2.gz XDUOMWBQNUNUQT-OAHLLOKOSA-N 1 0 325.399 4.044 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449476512 1031773286 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346.496 4.105 20 30 EIEDRO C=CCC1(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CCCC1 ZINC000453359062 1031889082 /nfs/dbraw/zinc/88/90/82/1031889082.db2.gz JLLWUMWNHDNTGN-LJQANCHMSA-N 1 0 325.431 4.431 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000453388828 1031899096 /nfs/dbraw/zinc/89/90/96/1031899096.db2.gz RBCXZAZGYCMXJQ-SFHVURJKSA-N 1 0 339.370 4.031 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000453366424 1031909614 /nfs/dbraw/zinc/90/96/14/1031909614.db2.gz RSPGBOMTIYYDNW-WMLDXEAASA-N 1 0 330.497 4.020 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000453376300 1031926019 /nfs/dbraw/zinc/92/60/19/1031926019.db2.gz XYSJRYYFGCFTMZ-VMGRFDJRSA-N 1 0 332.444 4.333 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2cccs2)C1)c1ccc(C#N)cc1F ZINC000453402280 1031939460 /nfs/dbraw/zinc/93/94/60/1031939460.db2.gz ZUTXLTPDPHTQSW-QEORTHHSSA-N 1 0 330.428 4.330 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(C#N)cc1F ZINC000453445808 1031972833 /nfs/dbraw/zinc/97/28/33/1031972833.db2.gz ZUTXLTPDPHTQSW-SUYBPPKGSA-N 1 0 330.428 4.330 20 30 EIEDRO FCCC[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000532015687 1031980143 /nfs/dbraw/zinc/98/01/43/1031980143.db2.gz MXVXBHGVHMTLAZ-LLVKDONJSA-N 1 0 333.247 4.008 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)cc1Cl ZINC000573734173 1033441049 /nfs/dbraw/zinc/44/10/49/1033441049.db2.gz VJJGRNOIJKTKEK-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1F)c1ccc(C#N)cc1F ZINC000512612562 1033493128 /nfs/dbraw/zinc/49/31/28/1033493128.db2.gz PGJFPQDVOSCIIP-ZDUSSCGKSA-N 1 0 332.419 4.420 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000614159968 1033529700 /nfs/dbraw/zinc/52/97/00/1033529700.db2.gz INVZFTZRLLWZMG-UHFFFAOYSA-N 1 0 332.447 4.483 20 30 EIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000512631780 1033556276 /nfs/dbraw/zinc/55/62/76/1033556276.db2.gz SOSCNWFTWATKMY-ZFWWWQNUSA-N 1 0 330.378 4.345 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1F ZINC000512636902 1033581101 /nfs/dbraw/zinc/58/11/01/1033581101.db2.gz PNTXICSDGRSIFB-CZUORRHYSA-N 1 0 343.833 4.280 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000614179911 1033604629 /nfs/dbraw/zinc/60/46/29/1033604629.db2.gz RIZRSILKBDWWTE-OALUTQOASA-N 1 0 326.484 4.126 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000614179912 1033605591 /nfs/dbraw/zinc/60/55/91/1033605591.db2.gz RIZRSILKBDWWTE-RBUKOAKNSA-N 1 0 326.484 4.126 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000614179913 1033606633 /nfs/dbraw/zinc/60/66/33/1033606633.db2.gz RIZRSILKBDWWTE-RTBURBONSA-N 1 0 326.484 4.126 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000614179581 1033609664 /nfs/dbraw/zinc/60/96/64/1033609664.db2.gz SKYJROYKBDVISL-OYLFLEFRSA-N 1 0 340.492 4.076 20 30 EIEDRO COCC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(C)o1 ZINC000614185100 1033637221 /nfs/dbraw/zinc/63/72/21/1033637221.db2.gz NEEXWOIGASWTNX-SFHVURJKSA-N 1 0 326.440 4.257 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000614185872 1033642287 /nfs/dbraw/zinc/64/22/87/1033642287.db2.gz BKFAXNCKIZDRPM-QFIPXVFZSA-N 1 0 332.447 4.119 20 30 EIEDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433019007 1033667465 /nfs/dbraw/zinc/66/74/65/1033667465.db2.gz HUACQXBPMFCZMB-SFHVURJKSA-N 1 0 339.395 4.128 20 30 EIEDRO CC[NH+](CC)[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512669094 1033669558 /nfs/dbraw/zinc/66/95/58/1033669558.db2.gz YQELZHMIYIXYLJ-HRAATJIYSA-N 1 0 339.458 4.431 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(F)cc2Cl)cc1OC ZINC000500891281 1033970044 /nfs/dbraw/zinc/97/00/44/1033970044.db2.gz LVEMRGNJYUZDSM-UHFFFAOYSA-N 1 0 349.833 4.385 20 30 EIEDRO C=CCOc1ccccc1CNc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000433181333 1034000998 /nfs/dbraw/zinc/00/09/98/1034000998.db2.gz LDDSKYLFKNOONT-LJQANCHMSA-N 1 0 338.451 4.249 20 30 EIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000512814015 1034006396 /nfs/dbraw/zinc/00/63/96/1034006396.db2.gz BTTZQOZMEUVTIP-UHFFFAOYSA-N 1 0 343.268 4.388 20 30 EIEDRO C=CCOc1cccc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)c1 ZINC000433193767 1034020735 /nfs/dbraw/zinc/02/07/35/1034020735.db2.gz LJFLICYZTIWHMG-FQEVSTJZSA-N 1 0 338.451 4.249 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000509821188 1034046247 /nfs/dbraw/zinc/04/62/47/1034046247.db2.gz SSCIZNPGEVJMQZ-AWEZNQCLSA-N 1 0 340.920 4.181 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(C2CC2)cc1 ZINC000419346115 1034388134 /nfs/dbraw/zinc/38/81/34/1034388134.db2.gz UXTIEWVXDHTIIH-HNNXBMFYSA-N 1 0 333.435 4.115 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc2ccccc21 ZINC000120622712 1034663586 /nfs/dbraw/zinc/66/35/86/1034663586.db2.gz KTEORPSVISIWOK-CQSZACIVSA-N 1 0 349.459 4.452 20 30 EIEDRO CC[C@@H](C)c1ccc([C@@H]([NH2+]CC(=O)N(CC)CCC#N)C(C)C)cc1 ZINC001167936821 1034750076 /nfs/dbraw/zinc/75/00/76/1034750076.db2.gz NENHFPFBTIECQU-UTKZUKDTSA-N 1 0 343.515 4.249 20 30 EIEDRO COc1ccc(Cl)cc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237099100 1034800968 /nfs/dbraw/zinc/80/09/68/1034800968.db2.gz OJOVDYUUTPXSIZ-UHFFFAOYSA-N 1 0 344.842 4.321 20 30 EIEDRO COc1ccccc1O[C@H]1CCC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000513404763 1034919006 /nfs/dbraw/zinc/91/90/06/1034919006.db2.gz ACEMBCZIKHHJGD-APWZRJJASA-N 1 0 336.435 4.171 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 ZINC000182586372 1034970441 /nfs/dbraw/zinc/97/04/41/1034970441.db2.gz OQLQQSUBIHPVHY-CXAGYDPISA-N 1 0 341.842 4.280 20 30 EIEDRO CC(C)C1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000513665885 1035086603 /nfs/dbraw/zinc/08/66/03/1035086603.db2.gz HYRSCFKQYDYFCH-UHFFFAOYSA-N 1 0 325.500 4.331 20 30 EIEDRO CC[N@H+](Cc1cnn(-c2ccccc2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000345199538 1035142899 /nfs/dbraw/zinc/14/28/99/1035142899.db2.gz KCRRQERVVNCZFP-QGZVFWFLSA-N 1 0 330.435 4.327 20 30 EIEDRO CC(C)CC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCC1 ZINC000513698203 1035298246 /nfs/dbraw/zinc/29/82/46/1035298246.db2.gz XPGFLSADXJQBQO-UHFFFAOYSA-N 1 0 325.500 4.333 20 30 EIEDRO Cc1oc(C#N)cc1C(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000280623237 1035305826 /nfs/dbraw/zinc/30/58/26/1035305826.db2.gz LGDISYNJEDBMEE-UHFFFAOYSA-N 1 0 337.423 4.074 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1Br ZINC000501050721 1035359960 /nfs/dbraw/zinc/35/99/60/1035359960.db2.gz GOYOJJPLWZHMDF-ZDUSSCGKSA-N 1 0 329.241 4.480 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)c1ccco1 ZINC000513707791 1035391739 /nfs/dbraw/zinc/39/17/39/1035391739.db2.gz IXXJDPWZFUIICH-DLBZAZTESA-N 1 0 326.440 4.164 20 30 EIEDRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000501329927 1035424061 /nfs/dbraw/zinc/42/40/61/1035424061.db2.gz HGJIDHQHZYQEAO-UHFFFAOYSA-N 1 0 334.341 4.088 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccsc3Cl)CCOCC2)c1 ZINC000594981985 1035515030 /nfs/dbraw/zinc/51/50/30/1035515030.db2.gz WYBIMLUUSZHADF-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO N#CC1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCCCC1 ZINC000594981404 1035515167 /nfs/dbraw/zinc/51/51/67/1035515167.db2.gz OKHPFNKEPXXVOW-UHFFFAOYSA-N 1 0 345.918 4.368 20 30 EIEDRO CSc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000594980312 1035516547 /nfs/dbraw/zinc/51/65/47/1035516547.db2.gz PDBBHQZEHFGIMF-UHFFFAOYSA-N 1 0 344.505 4.137 20 30 EIEDRO N#CC1(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCCC1 ZINC000594981438 1035516829 /nfs/dbraw/zinc/51/68/29/1035516829.db2.gz PPHVZLGERFAKES-HXUWFJFHSA-N 1 0 337.511 4.247 20 30 EIEDRO N#Cc1csc(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)n1 ZINC000594988246 1035521742 /nfs/dbraw/zinc/52/17/42/1035521742.db2.gz OFVQZEWEPBSTCZ-UHFFFAOYSA-N 1 0 345.312 4.158 20 30 EIEDRO Cn1cc(CNCC2(C#N)CCCCC2)c(-c2cc3ccccc3o2)n1 ZINC000594994800 1035525120 /nfs/dbraw/zinc/52/51/20/1035525120.db2.gz LZTUORVEFDROGF-UHFFFAOYSA-N 1 0 348.450 4.397 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@H](C)c1nc2ccccc2s1 ZINC000595055471 1035533950 /nfs/dbraw/zinc/53/39/50/1035533950.db2.gz FCLDOTNWEDMBOA-LSDHHAIUSA-N 1 0 335.476 4.492 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(F)cc1OC(F)F ZINC000595056786 1035536064 /nfs/dbraw/zinc/53/60/64/1035536064.db2.gz WIXGIGRXADVJCX-LBPRGKRZSA-N 1 0 334.341 4.192 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000595061161 1035542345 /nfs/dbraw/zinc/54/23/45/1035542345.db2.gz QKKJUNHVZFBAAF-DOTOQJQBSA-N 1 0 339.870 4.389 20 30 EIEDRO C[C@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000595071861 1035555375 /nfs/dbraw/zinc/55/53/75/1035555375.db2.gz CDPBYQVABTWFFN-NEPJUHHUSA-N 1 0 334.341 4.094 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1OCC)Cc1ccccc1 ZINC000484989723 1035561477 /nfs/dbraw/zinc/56/14/77/1035561477.db2.gz UGGGKUFYCMIAJU-UHFFFAOYSA-N 1 0 338.451 4.102 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000595048575 1035567531 /nfs/dbraw/zinc/56/75/31/1035567531.db2.gz WRGUZBGAHJSTRT-RBBKRZOGSA-N 1 0 337.511 4.247 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCc1noc2ccccc12 ZINC000595050582 1035570403 /nfs/dbraw/zinc/57/04/03/1035570403.db2.gz SFMIUDPWRSCDLB-LJQANCHMSA-N 1 0 331.419 4.299 20 30 EIEDRO CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000595096901 1035603524 /nfs/dbraw/zinc/60/35/24/1035603524.db2.gz NWMMUTOBENPJNK-VHKYSDTDSA-N 1 0 326.415 4.106 20 30 EIEDRO CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000595431772 1035680741 /nfs/dbraw/zinc/68/07/41/1035680741.db2.gz OWVSMSDWPARCKV-CYBMUJFWSA-N 1 0 339.386 4.317 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000595499922 1035689422 /nfs/dbraw/zinc/68/94/22/1035689422.db2.gz BLIPCBGMXOQPGS-QGZVFWFLSA-N 1 0 327.359 4.259 20 30 EIEDRO CC(C)(C)[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccsc1 ZINC000595600574 1035744431 /nfs/dbraw/zinc/74/44/31/1035744431.db2.gz IPBRLJXYALYJCM-UHFFFAOYSA-N 1 0 347.509 4.311 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC23CCCCC3)c(C#N)c1C ZINC000595603227 1035745155 /nfs/dbraw/zinc/74/51/55/1035745155.db2.gz GUPUJCIHPBUTMW-WMLDXEAASA-N 1 0 343.471 4.188 20 30 EIEDRO CCn1c(C[NH2+]C(C)(C)c2cccc(C#N)c2)nc2cc(F)ccc21 ZINC000595638356 1035746817 /nfs/dbraw/zinc/74/68/17/1035746817.db2.gz BFJQHNJBFIYMPX-UHFFFAOYSA-N 1 0 336.414 4.092 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CC/C=C/c3ccccc3)CCOCC2)c1 ZINC000595770212 1035778672 /nfs/dbraw/zinc/77/86/72/1035778672.db2.gz VVSRBVLMMAKSEA-RUDMXATFSA-N 1 0 332.447 4.257 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595790209 1035792954 /nfs/dbraw/zinc/79/29/54/1035792954.db2.gz VBOZXQILEPVZBU-ICSRJNTNSA-N 1 0 326.484 4.269 20 30 EIEDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000586790334 1035848033 /nfs/dbraw/zinc/84/80/33/1035848033.db2.gz UEOQKPGIRNOJDA-GOEBONIOSA-N 1 0 338.451 4.166 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000586794632 1035850269 /nfs/dbraw/zinc/85/02/69/1035850269.db2.gz ZXDINIIITCCQGQ-LZQZEXGQSA-N 1 0 332.875 4.480 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1sccc1Br ZINC000570926783 1035895702 /nfs/dbraw/zinc/89/57/02/1035895702.db2.gz HWYFVKPGWVKLPL-NSHDSACASA-N 1 0 335.270 4.427 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000420994710 1035926086 /nfs/dbraw/zinc/92/60/86/1035926086.db2.gz NMDPUZXKRYLXMK-HXUWFJFHSA-N 1 0 332.447 4.105 20 30 EIEDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)cc1OCCCC#N ZINC000414487551 1035935115 /nfs/dbraw/zinc/93/51/15/1035935115.db2.gz SLYGYMOHQYXGRH-OALUTQOASA-N 1 0 342.483 4.294 20 30 EIEDRO C[C@H]([NH2+]CCc1ccccc1Br)c1cccc(C#N)c1 ZINC000571113950 1035949889 /nfs/dbraw/zinc/94/98/89/1035949889.db2.gz BTUGPHDFQQWAQL-ZDUSSCGKSA-N 1 0 329.241 4.214 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)cc(OC)c1O ZINC000761195776 1036017147 /nfs/dbraw/zinc/01/71/47/1036017147.db2.gz NLCUWCLDTXODHQ-UHFFFAOYSA-N 1 0 342.826 4.114 20 30 EIEDRO CC(C)([NH2+]CCOc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000060377546 1036050420 /nfs/dbraw/zinc/05/04/20/1036050420.db2.gz PONZYASFLTWYDI-UHFFFAOYSA-N 1 0 348.368 4.481 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](c2ccccc2)O1 ZINC000597001473 1036066407 /nfs/dbraw/zinc/06/64/07/1036066407.db2.gz ULKGHIBLTKZQQB-UTKZUKDTSA-N 1 0 332.447 4.204 20 30 EIEDRO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596998303 1036073896 /nfs/dbraw/zinc/07/38/96/1036073896.db2.gz LTXMESKOSCLFFJ-UTKZUKDTSA-N 1 0 332.447 4.204 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000183532186 1036127204 /nfs/dbraw/zinc/12/72/04/1036127204.db2.gz WGOWBYRIOAFCBX-HUUCEWRRSA-N 1 0 347.418 4.291 20 30 EIEDRO CC[N@H+](Cc1cn2cc(Cl)ccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477417 1036134154 /nfs/dbraw/zinc/13/41/54/1036134154.db2.gz ZOEYVXHZSBJBHP-CQSZACIVSA-N 1 0 338.842 4.442 20 30 EIEDRO CC[N@H+](CCOCCOc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469628 1036136999 /nfs/dbraw/zinc/13/69/99/1036136999.db2.gz SSIVBTNMGYMQOC-GOSISDBHSA-N 1 0 338.451 4.037 20 30 EIEDRO CC[N@H+](CCCOc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477450 1036138518 /nfs/dbraw/zinc/13/85/18/1036138518.db2.gz SUHPHJQUUVJEHW-QGZVFWFLSA-N 1 0 338.451 4.419 20 30 EIEDRO CC(C)(CCC#N)C[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000597200900 1036159277 /nfs/dbraw/zinc/15/92/77/1036159277.db2.gz ISSYGIVTUQCBPF-UHFFFAOYSA-N 1 0 325.481 4.498 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1O ZINC000164520127 1036167884 /nfs/dbraw/zinc/16/78/84/1036167884.db2.gz LZLGKYGUPAPDCQ-FQEVSTJZSA-N 1 0 338.451 4.170 20 30 EIEDRO Cc1cc([C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)c(O)cc1Cl ZINC000597223883 1036169010 /nfs/dbraw/zinc/16/90/10/1036169010.db2.gz WILNQTRTBSZCHT-GFCCVEGCSA-N 1 0 332.856 4.277 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000597224370 1036169282 /nfs/dbraw/zinc/16/92/82/1036169282.db2.gz HESLHERGAYBKTG-FPOVZHCZSA-N 1 0 342.483 4.150 20 30 EIEDRO C=CCc1cc(C[N@H+](CCc2nccs2)C(C)C)c(O)c(OC)c1 ZINC000164609220 1036200777 /nfs/dbraw/zinc/20/07/77/1036200777.db2.gz QMVSRAZFTSJCQX-UHFFFAOYSA-N 1 0 346.496 4.039 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000760677503 1036220979 /nfs/dbraw/zinc/22/09/79/1036220979.db2.gz REEANBVQXMSGHI-UHFFFAOYSA-N 1 0 336.822 4.190 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCCCC#N)cc1 ZINC000588156466 1036232197 /nfs/dbraw/zinc/23/21/97/1036232197.db2.gz PMFQNIDOMSKMKL-QGZVFWFLSA-N 1 0 327.472 4.474 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000588214957 1036303754 /nfs/dbraw/zinc/30/37/54/1036303754.db2.gz KCRWVWZIRGDRTP-LJQANCHMSA-N 1 0 342.870 4.354 20 30 EIEDRO COC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC(c2ccccc2)CC1 ZINC000588231177 1036307786 /nfs/dbraw/zinc/30/77/86/1036307786.db2.gz HRGUDGKJQLHTHY-RCKXYERXSA-N 1 0 326.484 4.401 20 30 EIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)ccn1 ZINC000421369460 1036314970 /nfs/dbraw/zinc/31/49/70/1036314970.db2.gz VRMYICGBJMTMGU-HNNXBMFYSA-N 1 0 341.430 4.196 20 30 EIEDRO CCc1nc2cc(C[NH2+]Cc3ccc(C#N)c(F)c3)ccc2n1C1CC1 ZINC000421356870 1036334092 /nfs/dbraw/zinc/33/40/92/1036334092.db2.gz MKWBVJRASPOVPB-UHFFFAOYSA-N 1 0 348.425 4.234 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000602480755 1036462913 /nfs/dbraw/zinc/46/29/13/1036462913.db2.gz XWNUIVBWYRVUFO-NWDGAFQWSA-N 1 0 331.407 4.281 20 30 EIEDRO CC[C@@H]1C[N@H+](C[C@@H](C)CCC#N)[C@H](CC)CN1C[C@H](C)CCC#N ZINC000602494922 1036467926 /nfs/dbraw/zinc/46/79/26/1036467926.db2.gz RAJYMQGHMIIKKY-IYWMVGAKSA-N 1 0 332.536 4.041 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000572229085 1036468208 /nfs/dbraw/zinc/46/82/08/1036468208.db2.gz ZMIUDUBNEOZDHY-OAHLLOKOSA-N 1 0 328.378 4.048 20 30 EIEDRO COc1cc(C[NH2+]C2CCC(C#N)CC2)ccc1OCCC(C)C ZINC000602515468 1036474968 /nfs/dbraw/zinc/47/49/68/1036474968.db2.gz VYWJJSVOAZAOKG-UHFFFAOYSA-N 1 0 330.472 4.292 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000602503055 1036480927 /nfs/dbraw/zinc/48/09/27/1036480927.db2.gz KQYRWOKQJGRYLA-KRWDZBQOSA-N 1 0 344.499 4.051 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]C2CCC(C#N)CC2)ccc1OCC(C)C ZINC000602510272 1036482579 /nfs/dbraw/zinc/48/25/79/1036482579.db2.gz KNPPCIKWNWAOBI-KLHKWILBSA-N 1 0 330.472 4.463 20 30 EIEDRO CC(C)c1ccc(CCC[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602547926 1036489078 /nfs/dbraw/zinc/48/90/78/1036489078.db2.gz VDGLNXCUJYGXMM-GOSISDBHSA-N 1 0 328.500 4.431 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(COC(C)(C)C)c1 ZINC000602526537 1036493067 /nfs/dbraw/zinc/49/30/67/1036493067.db2.gz LFLRDQYQEAJKPN-QGZVFWFLSA-N 1 0 344.499 4.190 20 30 EIEDRO CC(C)N1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000602589193 1036502826 /nfs/dbraw/zinc/50/28/26/1036502826.db2.gz DVDDAYXZZWLXNC-YUNSAGIJSA-N 1 0 347.453 4.161 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000602578561 1036507842 /nfs/dbraw/zinc/50/78/42/1036507842.db2.gz NXAOMXGCPPHADO-DDUZABMNSA-N 1 0 337.870 4.001 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000602578566 1036507883 /nfs/dbraw/zinc/50/78/83/1036507883.db2.gz NXAOMXGCPPHADO-XUWXXGDYSA-N 1 0 337.870 4.001 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000602574719 1036508019 /nfs/dbraw/zinc/50/80/19/1036508019.db2.gz YTTZDSZKBKULEM-NEPJUHHUSA-N 1 0 327.241 4.049 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000602581000 1036510290 /nfs/dbraw/zinc/51/02/90/1036510290.db2.gz RXWKZOPZZAGIJS-HNNXBMFYSA-N 1 0 332.875 4.060 20 30 EIEDRO CCN1CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000602583349 1036510677 /nfs/dbraw/zinc/51/06/77/1036510677.db2.gz QRUVVXCXPPRBTO-JEBQAFNWSA-N 1 0 337.870 4.144 20 30 EIEDRO CCN1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000602579678 1036510801 /nfs/dbraw/zinc/51/08/01/1036510801.db2.gz AGVJATJOBQICGJ-NHADURIESA-N 1 0 349.881 4.286 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@H](c3ccc(C(F)(F)F)cc3)C2)n1 ZINC000602647249 1036539330 /nfs/dbraw/zinc/53/93/30/1036539330.db2.gz YHJNSORGFZYIRQ-WJYNOGRTSA-N 1 0 331.341 4.008 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000602645930 1036540554 /nfs/dbraw/zinc/54/05/54/1036540554.db2.gz VHLLDNCYULZFNO-HHXXYDBFSA-N 1 0 330.447 4.150 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCN(C2CC2)[C@H](c2ccccc2)C1 ZINC000602661377 1036555800 /nfs/dbraw/zinc/55/58/00/1036555800.db2.gz DRWIDAICDSAQMJ-QUCCMNQESA-N 1 0 325.500 4.274 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)n1 ZINC000602660288 1036556697 /nfs/dbraw/zinc/55/66/97/1036556697.db2.gz BPHIBVRIDDMUDI-KRWDZBQOSA-N 1 0 347.340 4.093 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000602691161 1036561358 /nfs/dbraw/zinc/56/13/58/1036561358.db2.gz NLOAQIGVKWLIMC-BHIYHBOVSA-N 1 0 326.484 4.115 20 30 EIEDRO N#CC1CCC([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000602677672 1036565959 /nfs/dbraw/zinc/56/59/59/1036565959.db2.gz QXTGVACHQDCIEX-ZDKDBBBSSA-N 1 0 333.273 4.367 20 30 EIEDRO Cc1cc(C(C)(C)[NH2+]Cc2cccc(C#N)n2)ccc1Br ZINC000602677016 1036569139 /nfs/dbraw/zinc/56/91/39/1036569139.db2.gz PSHIDPWZBBKIKX-UHFFFAOYSA-N 1 0 344.256 4.049 20 30 EIEDRO COCC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000602682579 1036569648 /nfs/dbraw/zinc/56/96/48/1036569648.db2.gz MKWIQPPRKOXDCX-XJKSGUPXSA-N 1 0 328.378 4.312 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cc1F ZINC000602681833 1036572960 /nfs/dbraw/zinc/57/29/60/1036572960.db2.gz NBXGILSVCAEQDS-DENIHFKCSA-N 1 0 349.453 4.155 20 30 EIEDRO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602906988 1036659359 /nfs/dbraw/zinc/65/93/59/1036659359.db2.gz KHOYJNUIOWWQLT-AWEZNQCLSA-N 1 0 332.407 4.035 20 30 EIEDRO N#Cc1ccccc1NC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000602895470 1036666567 /nfs/dbraw/zinc/66/65/67/1036666567.db2.gz OHSWPJDENJKAIZ-UHFFFAOYSA-N 1 0 325.378 4.167 20 30 EIEDRO Cc1ccc2ncc(C[NH+]3CCC(c4ccc(C#N)cn4)CC3)cc2c1 ZINC000602905638 1036670783 /nfs/dbraw/zinc/67/07/83/1036670783.db2.gz HIKXZYCURILHBE-UHFFFAOYSA-N 1 0 342.446 4.190 20 30 EIEDRO C=C(C)COCC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000164645266 1036690813 /nfs/dbraw/zinc/69/08/13/1036690813.db2.gz SEVICUDLESWYAZ-GFCCVEGCSA-N 1 0 338.245 4.439 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCCc2nc3c(s2)CCCC3)cc1 ZINC000589156135 1036697684 /nfs/dbraw/zinc/69/76/84/1036697684.db2.gz RGPJWGLCTAZBLC-UHFFFAOYSA-N 1 0 342.508 4.309 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(c1ccccc1)c1ccccc1 ZINC000598612946 1036711408 /nfs/dbraw/zinc/71/14/08/1036711408.db2.gz SSLIRTQOZPPKPM-PXNSSMCTSA-N 1 0 336.479 4.097 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(c1ccccc1)c1ccccc1 ZINC000598612945 1036712102 /nfs/dbraw/zinc/71/21/02/1036712102.db2.gz SSLIRTQOZPPKPM-FXAWDEMLSA-N 1 0 336.479 4.097 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCOc1ccc3ccccc3c1)CC2 ZINC000589337118 1036738494 /nfs/dbraw/zinc/73/84/94/1036738494.db2.gz HRVGFKVGIKTAJA-QFIPXVFZSA-N 1 0 328.415 4.367 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCSc1ccc(F)cc1)CC2 ZINC000589337222 1036740315 /nfs/dbraw/zinc/74/03/15/1036740315.db2.gz QEMRARDOTXBNJP-LJQANCHMSA-N 1 0 326.440 4.457 20 30 EIEDRO COC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000589343280 1036741777 /nfs/dbraw/zinc/74/17/77/1036741777.db2.gz HFXIGNZXKPIFJH-RBUKOAKNSA-N 1 0 326.827 4.176 20 30 EIEDRO CC(=O)N1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000598678233 1036742792 /nfs/dbraw/zinc/74/27/92/1036742792.db2.gz OZEWMAKTGKKIAB-PMACEKPBSA-N 1 0 333.435 4.119 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000589317387 1036744219 /nfs/dbraw/zinc/74/42/19/1036744219.db2.gz DSFQGDFQBGHUAQ-QGZVFWFLSA-N 1 0 332.325 4.060 20 30 EIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000589314607 1036745438 /nfs/dbraw/zinc/74/54/38/1036745438.db2.gz FRIOKEJECZVHPT-MRXNPFEDSA-N 1 0 340.389 4.262 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000598699195 1036749981 /nfs/dbraw/zinc/74/99/81/1036749981.db2.gz CNNIDVUDCBODIK-QGZVFWFLSA-N 1 0 342.414 4.008 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000598724809 1036763451 /nfs/dbraw/zinc/76/34/51/1036763451.db2.gz RDDDZSVHLCBCJB-VKJFTORMSA-N 1 0 326.484 4.177 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000598728861 1036765031 /nfs/dbraw/zinc/76/50/31/1036765031.db2.gz XAYJFQJQTAYEIL-SZMVWBNQSA-N 1 0 334.891 4.257 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCSc2ccc(C)cc2)cc1OC ZINC000061012222 1036768895 /nfs/dbraw/zinc/76/88/95/1036768895.db2.gz SPFPOVHMQSRQAG-UHFFFAOYSA-N 1 0 343.492 4.450 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)ccc1C#N ZINC000421854430 1036807996 /nfs/dbraw/zinc/80/79/96/1036807996.db2.gz LKFKLQISLIJENZ-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO C=CCCCCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000486736243 1036830715 /nfs/dbraw/zinc/83/07/15/1036830715.db2.gz XGOXBBNTRVNZRT-UHFFFAOYSA-N 1 0 334.891 4.234 20 30 EIEDRO CCC[N@H+](Cc1ccc(CC#N)cc1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502945172 1036831744 /nfs/dbraw/zinc/83/17/44/1036831744.db2.gz WFPMNIIBICFXAI-SFHVURJKSA-N 1 0 349.478 4.382 20 30 EIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)s2)c2cc([N+](=O)[O-])ccc21 ZINC000421885897 1036832497 /nfs/dbraw/zinc/83/24/97/1036832497.db2.gz RQDJGGGWXPYXSO-INIZCTEOSA-N 1 0 327.409 4.040 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)CCC#N)cc1OC ZINC000598973695 1036837906 /nfs/dbraw/zinc/83/79/06/1036837906.db2.gz HAUJGSKOOGQKJI-UHFFFAOYSA-N 1 0 336.863 4.333 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000668683705 1036852106 /nfs/dbraw/zinc/85/21/06/1036852106.db2.gz OAUKGQACZGAICW-SFTDATJTSA-N 1 0 325.452 4.099 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C2CC2)cn1 ZINC000599019998 1036854704 /nfs/dbraw/zinc/85/47/04/1036854704.db2.gz LCQZHJZMOQNKFC-HXUWFJFHSA-N 1 0 335.451 4.132 20 30 EIEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000486794622 1036858050 /nfs/dbraw/zinc/85/80/50/1036858050.db2.gz DMQMABPUJDBPRO-MLGOLLRUSA-N 1 0 333.501 4.076 20 30 EIEDRO Cc1cc(C[N@H+](C)Cc2cc(Br)cs2)ccc1C#N ZINC000486797680 1036858647 /nfs/dbraw/zinc/85/86/47/1036858647.db2.gz WUYAHTZMYGVSEA-UHFFFAOYSA-N 1 0 335.270 4.323 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)cc1 ZINC000486812582 1036860877 /nfs/dbraw/zinc/86/08/77/1036860877.db2.gz WTWTVYZCBUBSKU-UHFFFAOYSA-N 1 0 333.366 4.174 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000503028778 1036877828 /nfs/dbraw/zinc/87/78/28/1036877828.db2.gz YGCSKGGRRHHEFH-IEBWSBKVSA-N 1 0 329.365 4.450 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000924819089 1036888270 /nfs/dbraw/zinc/88/82/70/1036888270.db2.gz AXMVUCGFIGYCAM-OAHLLOKOSA-N 1 0 334.891 4.306 20 30 EIEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593693145 1036898487 /nfs/dbraw/zinc/89/84/87/1036898487.db2.gz QTNRVRIVLDOKSX-DYESRHJHSA-N 1 0 337.511 4.105 20 30 EIEDRO C[N@@H+](Cc1cccc(F)c1C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000589984374 1036924832 /nfs/dbraw/zinc/92/48/32/1036924832.db2.gz QYBQLLIHLZXNOZ-NQIIRXRSSA-N 1 0 338.426 4.297 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1OCCc2sccc21 ZINC000590024813 1036931730 /nfs/dbraw/zinc/93/17/30/1036931730.db2.gz OBZIDRHZHSHKOV-KUHUBIRLSA-N 1 0 340.492 4.341 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)CC2 ZINC000593723527 1036940517 /nfs/dbraw/zinc/94/05/17/1036940517.db2.gz XCYRJKLQCGFVOZ-HSZRJFAPSA-N 1 0 345.490 4.108 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(Cc3cccc(C#N)c3)CC1)CC2 ZINC000593723528 1036941254 /nfs/dbraw/zinc/94/12/54/1036941254.db2.gz XCYRJKLQCGFVOZ-QHCPKHFHSA-N 1 0 345.490 4.108 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000593725963 1036942595 /nfs/dbraw/zinc/94/25/95/1036942595.db2.gz SWRBVQWSROBXRN-UZUQRXQVSA-N 1 0 345.490 4.361 20 30 EIEDRO COCc1ccccc1/C=C(\C)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000590068461 1036970558 /nfs/dbraw/zinc/97/05/58/1036970558.db2.gz VQPFBZRTEBHJEA-UPMCQBDUSA-N 1 0 332.447 4.385 20 30 EIEDRO CC(C)(C)C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000599357417 1036973331 /nfs/dbraw/zinc/97/33/31/1036973331.db2.gz TXDCSYDBEHSYLD-SJORKVTESA-N 1 0 334.891 4.462 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(C)C ZINC000599364805 1036979692 /nfs/dbraw/zinc/97/96/92/1036979692.db2.gz ZCBASAGEZUAMGH-YJBOKZPZSA-N 1 0 326.440 4.083 20 30 EIEDRO Cc1ccc(C[NH2+][C@H]2c3ccccc3CC23CCOCC3)cc1C#N ZINC000599430183 1037012404 /nfs/dbraw/zinc/01/24/04/1037012404.db2.gz OTMHPJFXMFYIJN-NRFANRHFSA-N 1 0 332.447 4.051 20 30 EIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)cc1 ZINC000603838897 1037021211 /nfs/dbraw/zinc/02/12/11/1037021211.db2.gz UVFMWLDMUXRXMV-NRFANRHFSA-N 1 0 336.435 4.173 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(C(=O)OC)cc1 ZINC000590254484 1037022544 /nfs/dbraw/zinc/02/25/44/1037022544.db2.gz YXWPWPZQEQYLJK-SFHVURJKSA-N 1 0 342.826 4.239 20 30 EIEDRO N#CCCCC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000599526287 1037057744 /nfs/dbraw/zinc/05/77/44/1037057744.db2.gz JQGJZGOFLJVRGP-OAHLLOKOSA-N 1 0 339.302 4.309 20 30 EIEDRO C[C@@H]([NH2+]CCCSCC#N)c1cc(F)c(Br)cc1F ZINC000599542523 1037066746 /nfs/dbraw/zinc/06/67/46/1037066746.db2.gz UWZFKVFUAIHNBJ-SECBINFHSA-N 1 0 349.244 4.025 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(C(F)(F)F)c1 ZINC000599553513 1037072937 /nfs/dbraw/zinc/07/29/37/1037072937.db2.gz XYVATZYWMKLKCG-KGLIPLIRSA-N 1 0 326.387 4.047 20 30 EIEDRO N#Cc1ccc(C2([NH2+]CCC3(C#N)CCCCC3)CCOCC2)cc1 ZINC000599629886 1037100938 /nfs/dbraw/zinc/10/09/38/1037100938.db2.gz IVFXEBAXUKBKBX-UHFFFAOYSA-N 1 0 337.467 4.018 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc2ccccc21 ZINC000057555295 1037109468 /nfs/dbraw/zinc/10/94/68/1037109468.db2.gz ZNXIHBOKFWTELS-SJORKVTESA-N 1 0 349.478 4.222 20 30 EIEDRO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](C#N)CCC#N ZINC000599651350 1037118368 /nfs/dbraw/zinc/11/83/68/1037118368.db2.gz GIRCYGBTMXRNIU-FMKPAKJESA-N 1 0 346.272 4.070 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000590644599 1037130782 /nfs/dbraw/zinc/13/07/82/1037130782.db2.gz PIUXWVHKCYZACC-NYLDSWQDSA-N 1 0 325.500 4.276 20 30 EIEDRO CC1CCN([C@@H](C[NH2+]Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000057597197 1037135856 /nfs/dbraw/zinc/13/58/56/1037135856.db2.gz WZWZPLOCZMOWOA-IBGZPJMESA-N 1 0 339.508 4.183 20 30 EIEDRO Cc1cc(Br)c(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000590781017 1037166825 /nfs/dbraw/zinc/16/68/25/1037166825.db2.gz LILOFMHVZRWLMR-OAHLLOKOSA-N 1 0 347.281 4.468 20 30 EIEDRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[NH+]1CCC(C#N)CC1 ZINC000057875334 1037284198 /nfs/dbraw/zinc/28/41/98/1037284198.db2.gz ZMNSFVHWCPTRRA-MRXNPFEDSA-N 1 0 333.435 4.235 20 30 EIEDRO N#CCSCCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272854947 1037312038 /nfs/dbraw/zinc/31/20/38/1037312038.db2.gz PKSMUHMHMXVHRF-SFHVURJKSA-N 1 0 345.899 4.255 20 30 EIEDRO Cc1cc(F)ccc1C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000487999412 1037323644 /nfs/dbraw/zinc/32/36/44/1037323644.db2.gz AFWHUWYBAOCONI-UHFFFAOYSA-N 1 0 348.425 4.038 20 30 EIEDRO Cc1cc(CN2CCC[C@H]2c2nc3ccccc3n2C)ccc1C#N ZINC000488109629 1037361227 /nfs/dbraw/zinc/36/12/27/1037361227.db2.gz UUTZZTNHYQPGDU-FQEVSTJZSA-N 1 0 330.435 4.091 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000488318462 1037505546 /nfs/dbraw/zinc/50/55/46/1037505546.db2.gz JXAQSWOBXSMZND-AUUYWEPGSA-N 1 0 328.843 4.386 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2ccc(C)cc2)ccc1OC ZINC000604768475 1037509822 /nfs/dbraw/zinc/50/98/22/1037509822.db2.gz FOWVLQRIWWTTPF-UHFFFAOYSA-N 1 0 325.452 4.291 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)cc1Cl ZINC000604768426 1037510762 /nfs/dbraw/zinc/51/07/62/1037510762.db2.gz QNZHNQYKBXTQEF-HNAYVOBHSA-N 1 0 345.870 4.159 20 30 EIEDRO C=CCC[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000488331197 1037518218 /nfs/dbraw/zinc/51/82/18/1037518218.db2.gz QWHOAYZCALWOAG-NRFANRHFSA-N 1 0 336.479 4.479 20 30 EIEDRO C=CC[C@@H](C)NC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000604920561 1037582671 /nfs/dbraw/zinc/58/26/71/1037582671.db2.gz ZGLUXHSMSOBTRI-SJORKVTESA-N 1 0 331.504 4.160 20 30 EIEDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000592143813 1037741114 /nfs/dbraw/zinc/74/11/14/1037741114.db2.gz PQGZYVUZUPAYIE-HXUWFJFHSA-N 1 0 344.474 4.323 20 30 EIEDRO CCCOc1c(Cl)cc(C[NH2+]CC2(CC#N)CC2)cc1OCC ZINC000430065139 1037781094 /nfs/dbraw/zinc/78/10/94/1037781094.db2.gz KAKNPUUFJIHZGZ-UHFFFAOYSA-N 1 0 336.863 4.311 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CCC(C)C)cc2)CC1 ZINC000592339797 1037781918 /nfs/dbraw/zinc/78/19/18/1037781918.db2.gz BNLHSMMWDWULDA-UHFFFAOYSA-N 1 0 343.515 4.437 20 30 EIEDRO COc1ccc(Br)cc1C1([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000592391892 1037795517 /nfs/dbraw/zinc/79/55/17/1037795517.db2.gz SLKVBSAXXOIYSL-OCCSQVGLSA-N 1 0 349.272 4.119 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000592391397 1037796238 /nfs/dbraw/zinc/79/62/38/1037796238.db2.gz CALTZKFLQIBLKS-SFHVURJKSA-N 1 0 326.827 4.410 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC000488997516 1037830929 /nfs/dbraw/zinc/83/09/29/1037830929.db2.gz SJDSXZOYKYIOKD-RBUKOAKNSA-N 1 0 344.817 4.279 20 30 EIEDRO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCc2ccc(Cl)cc21 ZINC000593067438 1037901915 /nfs/dbraw/zinc/90/19/15/1037901915.db2.gz SQSPHPYIDJLKGP-MRXNPFEDSA-N 1 0 346.902 4.402 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](CCO)c1ccccc1F ZINC000592403299 1038003612 /nfs/dbraw/zinc/00/36/12/1038003612.db2.gz OCEZBVBNJSXMGN-NHCUHLMSSA-N 1 0 338.426 4.178 20 30 EIEDRO Cc1cc(CNC(NCc2ccccc2)=[NH+]C(C)(C)C)cc(C)c1O ZINC000912498657 1038029112 /nfs/dbraw/zinc/02/91/12/1038029112.db2.gz CUOWTGTZSWMPDZ-UHFFFAOYSA-N 1 0 339.483 4.043 20 30 EIEDRO COc1cc(C[NH+]2CCC(OCC3CCCCC3)CC2)ccc1C#N ZINC000574263949 1038048124 /nfs/dbraw/zinc/04/81/24/1038048124.db2.gz JOLUYNMRUNXSHX-UHFFFAOYSA-N 1 0 342.483 4.128 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CNc3ccccc3C2)CC1 ZINC000593320519 1038062588 /nfs/dbraw/zinc/06/25/88/1038062588.db2.gz STZITACBMNNHBU-FUHYEJFZSA-N 1 0 331.463 4.017 20 30 EIEDRO N#CC1(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCCC1 ZINC000593650669 1038115669 /nfs/dbraw/zinc/11/56/69/1038115669.db2.gz XVKBHFSBCUUDQR-UHFFFAOYSA-N 1 0 348.372 4.065 20 30 EIEDRO C=CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489679594 1038208007 /nfs/dbraw/zinc/20/80/07/1038208007.db2.gz MTWIIVNJYWCDRH-FGZHOGPDSA-N 1 0 348.490 4.079 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(Cl)cc4c3OCC4)CCC2)cc1 ZINC000594033269 1038232015 /nfs/dbraw/zinc/23/20/15/1038232015.db2.gz MAISPKVKQIGXDP-UHFFFAOYSA-N 1 0 338.838 4.316 20 30 EIEDRO N#CCc1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000594038104 1038239372 /nfs/dbraw/zinc/23/93/72/1038239372.db2.gz IJLZAGWTYSXZIH-UHFFFAOYSA-N 1 0 346.352 4.430 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@H](C)CC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000924849731 1038268549 /nfs/dbraw/zinc/26/85/49/1038268549.db2.gz OBTVQPQHAIEXBY-KGLIPLIRSA-N 1 0 328.435 4.299 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000924849726 1038281118 /nfs/dbraw/zinc/28/11/18/1038281118.db2.gz OBTVQPQHAIEXBY-KBPBESRZSA-N 1 0 328.435 4.299 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC1CC[NH+](Cc2ccccc2)CC1 ZINC000912773280 1038287563 /nfs/dbraw/zinc/28/75/63/1038287563.db2.gz FTNUSRFNLOHYSQ-HAHDFKILSA-N 1 0 345.446 4.024 20 30 EIEDRO CCc1ccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+](C)C)cc1 ZINC000912777902 1038291522 /nfs/dbraw/zinc/29/15/22/1038291522.db2.gz XVRCCSGOOHBAKX-KUOTXRDYSA-N 1 0 347.462 4.225 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000594431760 1038333369 /nfs/dbraw/zinc/33/33/69/1038333369.db2.gz QZKUYFJWBRMAMI-INIZCTEOSA-N 1 0 349.862 4.011 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H](CC1CCCCC1)c1ccccc1 ZINC000594440424 1038335437 /nfs/dbraw/zinc/33/54/37/1038335437.db2.gz ZDRTYVYNBVZUOU-VQTJNVASSA-N 1 0 341.499 4.226 20 30 EIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000490092981 1038342656 /nfs/dbraw/zinc/34/26/56/1038342656.db2.gz OMMAZVPMNZWTIG-IBGZPJMESA-N 1 0 328.843 4.226 20 30 EIEDRO CCSc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000594498947 1038345592 /nfs/dbraw/zinc/34/55/92/1038345592.db2.gz DNVKBNRWICPSNI-UHFFFAOYSA-N 1 0 325.481 4.285 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(Cn3cccn3)c2)cc1 ZINC000594495641 1038346340 /nfs/dbraw/zinc/34/63/40/1038346340.db2.gz ROKVBWLDBVVNIC-UHFFFAOYSA-N 1 0 344.462 4.022 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594495986 1038346420 /nfs/dbraw/zinc/34/64/20/1038346420.db2.gz WDKMZYBLXUCQEY-UHFFFAOYSA-N 1 0 336.483 4.019 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CCC2 ZINC000594497551 1038346601 /nfs/dbraw/zinc/34/66/01/1038346601.db2.gz GTEDQGKDDOKVGA-HXUWFJFHSA-N 1 0 346.430 4.001 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(Cn3cccn3)cc2)cc1 ZINC000594496057 1038347087 /nfs/dbraw/zinc/34/70/87/1038347087.db2.gz YNVRQLVKVRBJIA-UHFFFAOYSA-N 1 0 344.462 4.022 20 30 EIEDRO Cc1ccn(-c2ccccc2C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594498762 1038349474 /nfs/dbraw/zinc/34/94/74/1038349474.db2.gz VVWRFVLSTBXVRI-UHFFFAOYSA-N 1 0 344.462 4.272 20 30 EIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000594516733 1038357280 /nfs/dbraw/zinc/35/72/80/1038357280.db2.gz FCHOXOOMISLTBL-CYBMUJFWSA-N 1 0 333.391 4.135 20 30 EIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594511984 1038358325 /nfs/dbraw/zinc/35/83/25/1038358325.db2.gz APCAYVZIDBHVCZ-QGZVFWFLSA-N 1 0 347.462 4.253 20 30 EIEDRO CC[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCO2 ZINC000594515285 1038358499 /nfs/dbraw/zinc/35/84/99/1038358499.db2.gz MJWZDPRYMAOFBQ-IBGZPJMESA-N 1 0 348.446 4.450 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000594524609 1038363364 /nfs/dbraw/zinc/36/33/64/1038363364.db2.gz QWHRLBZADGBBSD-FQEVSTJZSA-N 1 0 347.506 4.494 20 30 EIEDRO C#CCCCCCC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001168405090 1038389156 /nfs/dbraw/zinc/38/91/56/1038389156.db2.gz WTYJBYIJZCQKOH-IPMKNSEASA-N 1 0 348.531 4.195 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000594712001 1038391479 /nfs/dbraw/zinc/39/14/79/1038391479.db2.gz OSUVILDIPZVSAY-WBMJQRKESA-N 1 0 326.362 4.099 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594919664 1038424370 /nfs/dbraw/zinc/42/43/70/1038424370.db2.gz IWACXAGJWWWKEQ-XMSQKQJNSA-N 1 0 345.490 4.167 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNCc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594926992 1038430013 /nfs/dbraw/zinc/43/00/13/1038430013.db2.gz STMHRWBDQMXJJY-SFHVURJKSA-N 1 0 347.506 4.461 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000594928274 1038431381 /nfs/dbraw/zinc/43/13/81/1038431381.db2.gz VLCWIGORGUYXMH-LJQANCHMSA-N 1 0 348.446 4.254 20 30 EIEDRO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594935439 1038490054 /nfs/dbraw/zinc/49/00/54/1038490054.db2.gz PGLSIVMGNHOKJS-MGPUTAFESA-N 1 0 338.426 4.247 20 30 EIEDRO COc1cc(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)ccc1Cl ZINC000594944323 1038500966 /nfs/dbraw/zinc/50/09/66/1038500966.db2.gz NMLJHGJUDUFGAS-UHFFFAOYSA-N 1 0 340.854 4.236 20 30 EIEDRO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594946403 1038510747 /nfs/dbraw/zinc/51/07/47/1038510747.db2.gz OZEQOWATAIEKGJ-OAHLLOKOSA-N 1 0 338.426 4.110 20 30 EIEDRO CC(C)(CO)[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594949443 1038517876 /nfs/dbraw/zinc/51/78/76/1038517876.db2.gz DOAVQTRQGZTBLA-NRFANRHFSA-N 1 0 348.490 4.134 20 30 EIEDRO COc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1OC(F)F ZINC000594964210 1038552533 /nfs/dbraw/zinc/55/25/33/1038552533.db2.gz CBHUTSYBLUYZNV-UHFFFAOYSA-N 1 0 346.377 4.193 20 30 EIEDRO CCN(CCC#N)C(=O)C[N@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000063577937 1038609858 /nfs/dbraw/zinc/60/98/58/1038609858.db2.gz AJSIFZVDFBGLLU-KRWDZBQOSA-N 1 0 349.478 4.127 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000424165201 1038713261 /nfs/dbraw/zinc/71/32/61/1038713261.db2.gz ACEQFWJCTCRLAQ-YOEHRIQHSA-N 1 0 344.436 4.004 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000424292807 1038771006 /nfs/dbraw/zinc/77/10/06/1038771006.db2.gz HLWMXYRSKQMONY-NBMJBFSESA-N 1 0 333.447 4.041 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000424292806 1038771996 /nfs/dbraw/zinc/77/19/96/1038771996.db2.gz HLWMXYRSKQMONY-ISARSNTHSA-N 1 0 333.447 4.041 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000424296354 1038772057 /nfs/dbraw/zinc/77/20/57/1038772057.db2.gz OFDNLOPYWPXGOM-FTRWYGJKSA-N 1 0 326.484 4.405 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000424300897 1038778435 /nfs/dbraw/zinc/77/84/35/1038778435.db2.gz YRXZRVDRAGLXTC-APYUEPQZSA-N 1 0 336.273 4.178 20 30 EIEDRO CC1CC[NH+](C[C@H]2CCCN(Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000480769779 1038796738 /nfs/dbraw/zinc/79/67/38/1038796738.db2.gz MALBVOIAPWUKMI-QGZVFWFLSA-N 1 0 345.918 4.156 20 30 EIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000539077174 1038824221 /nfs/dbraw/zinc/82/42/21/1038824221.db2.gz JUAFQUXKIZHSBX-VXGBXAGGSA-N 1 0 342.277 4.157 20 30 EIEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000612457736 1038827514 /nfs/dbraw/zinc/82/75/14/1038827514.db2.gz NJLHPBLRXNLZCV-HUUCEWRRSA-N 1 0 347.890 4.001 20 30 EIEDRO Cc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(Cl)cc1C#N ZINC000461944874 1038829791 /nfs/dbraw/zinc/82/97/91/1038829791.db2.gz CEONEJIXDRXUKT-ZBFHGGJFSA-N 1 0 346.906 4.006 20 30 EIEDRO Cc1nc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c(Cl)cc1C#N ZINC000461971748 1038858901 /nfs/dbraw/zinc/85/89/01/1038858901.db2.gz IQTBAAPUSHEWOB-GUYCJALGSA-N 1 0 328.847 4.018 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CCCSCC#N)ccc1OC1CCCC1 ZINC000539254627 1038897082 /nfs/dbraw/zinc/89/70/82/1038897082.db2.gz YCXBPLXUFPRDDC-HNNXBMFYSA-N 1 0 348.512 4.314 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000505045301 1038897878 /nfs/dbraw/zinc/89/78/78/1038897878.db2.gz HWHZSYWILVVLRO-UHFFFAOYSA-N 1 0 343.515 4.439 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000505035871 1038905298 /nfs/dbraw/zinc/90/52/98/1038905298.db2.gz QLTFDVOBWCJIQE-UHFFFAOYSA-N 1 0 331.504 4.436 20 30 EIEDRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](CCCCC#N)CC1 ZINC000608832340 1038914223 /nfs/dbraw/zinc/91/42/23/1038914223.db2.gz GDXCUUHFFIBKBU-FQEVSTJZSA-N 1 0 342.483 4.129 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000505036112 1038914796 /nfs/dbraw/zinc/91/47/96/1038914796.db2.gz SREAIPKUPWIWGJ-UHFFFAOYSA-N 1 0 329.488 4.049 20 30 EIEDRO CC(C)C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000539297621 1038948071 /nfs/dbraw/zinc/94/80/71/1038948071.db2.gz LTZRZIAMCGLMPJ-PKOBYXMFSA-N 1 0 349.906 4.071 20 30 EIEDRO COc1ccc([C@H](C)CC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000174507500 1038980675 /nfs/dbraw/zinc/98/06/75/1038980675.db2.gz MESONMKJMDHJMV-IAGOWNOFSA-N 1 0 338.451 4.269 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 ZINC000539358984 1038994057 /nfs/dbraw/zinc/99/40/57/1038994057.db2.gz ATFVNHPSJDBBPQ-SFHVURJKSA-N 1 0 330.378 4.200 20 30 EIEDRO COc1c(C)cnc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000608991065 1038996562 /nfs/dbraw/zinc/99/65/62/1038996562.db2.gz IEEFGHSLZGKOQR-UHFFFAOYSA-N 1 0 337.467 4.237 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)Sc2ccccc2)cc1 ZINC000174608104 1039009135 /nfs/dbraw/zinc/00/91/35/1039009135.db2.gz GVBCGIRXUKAYHG-HOTGVXAUSA-N 1 0 326.465 4.248 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)Sc2ccccc2)cc1 ZINC000174608140 1039009995 /nfs/dbraw/zinc/00/99/95/1039009995.db2.gz GVBCGIRXUKAYHG-HZPDHXFCSA-N 1 0 326.465 4.248 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000539380226 1039036236 /nfs/dbraw/zinc/03/62/36/1039036236.db2.gz NMCFVMNTONZVGF-LBPRGKRZSA-N 1 0 348.805 4.089 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1ccco1 ZINC000552049174 1039072259 /nfs/dbraw/zinc/07/22/59/1039072259.db2.gz NYUHIGCWZSWVAK-WMLDXEAASA-N 1 0 332.394 4.434 20 30 EIEDRO C=CCN1CCC[C@H]([NH2+]C2CCC(c3ccc(Cl)cc3)CC2)C1=O ZINC001168335638 1039083838 /nfs/dbraw/zinc/08/38/38/1039083838.db2.gz NORGDPQAAMCFCH-KVZIAJEVSA-N 1 0 346.902 4.133 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000552064482 1039085781 /nfs/dbraw/zinc/08/57/81/1039085781.db2.gz STSZHBAAXIVVCI-UHFFFAOYSA-N 1 0 334.261 4.237 20 30 EIEDRO C=C(C)C(=O)NCCC[NH2+]C1CCC(c2ccc(Cl)cc2)CC1 ZINC001168337776 1039180820 /nfs/dbraw/zinc/18/08/20/1039180820.db2.gz PZGXOIBUROBZOG-UHFFFAOYSA-N 1 0 334.891 4.038 20 30 EIEDRO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000481270486 1039202104 /nfs/dbraw/zinc/20/21/04/1039202104.db2.gz RCDTYIANMSJUBP-RYUDHWBXSA-N 1 0 329.271 4.067 20 30 EIEDRO CCC(C#N)(CC)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000600078050 1039210999 /nfs/dbraw/zinc/21/09/99/1039210999.db2.gz IPIYUCIJODHAML-UHFFFAOYSA-N 1 0 345.512 4.143 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]2C[C@@H](C(=O)OC)C2(C)C)cc1 ZINC001168340221 1039247298 /nfs/dbraw/zinc/24/72/98/1039247298.db2.gz GDKOTSMOYBXZBY-FHWLQOOXSA-N 1 0 342.483 4.009 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2CCC(c3ccc(Cl)cc3)CC2)cn1 ZINC001168341743 1039289902 /nfs/dbraw/zinc/28/99/02/1039289902.db2.gz QWTBIUSQAAJJPY-UHFFFAOYSA-N 1 0 325.843 4.423 20 30 EIEDRO COCC[N@H+](Cc1csc2ccccc12)Cc1ccc(C#N)cc1 ZINC000513820093 1039295925 /nfs/dbraw/zinc/29/59/25/1039295925.db2.gz JGSQXYGFGWZPFQ-UHFFFAOYSA-N 1 0 336.460 4.422 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC1(N2CCC(OC)CC2)CCCC1)c1ccco1 ZINC000552245199 1039312976 /nfs/dbraw/zinc/31/29/76/1039312976.db2.gz UVVPOVHDDAYXFM-LJQANCHMSA-N 1 0 346.515 4.300 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccco1 ZINC000552262102 1039321535 /nfs/dbraw/zinc/32/15/35/1039321535.db2.gz FZWXTRUJKAPSGT-BJLQDIEVSA-N 1 0 329.415 4.182 20 30 EIEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000555527356 1039328965 /nfs/dbraw/zinc/32/89/65/1039328965.db2.gz CUDMTRWFXZBBDM-PEYYIBSZSA-N 1 0 333.273 4.354 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccco1 ZINC000552282929 1039337272 /nfs/dbraw/zinc/33/72/72/1039337272.db2.gz SGOUUQJJXGRJJK-CRAIPNDOSA-N 1 0 335.394 4.006 20 30 EIEDRO CCn1nc(C)c(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1C ZINC000534336290 1039344293 /nfs/dbraw/zinc/34/42/93/1039344293.db2.gz JKLNSBNYVPCGBD-UHFFFAOYSA-N 1 0 336.483 4.014 20 30 EIEDRO N#CCC[N@@H+](CC/C=C\c1ccc(Br)cc1)CC1CC1 ZINC000478023800 1039345992 /nfs/dbraw/zinc/34/59/92/1039345992.db2.gz JONMVZPEGBHXAP-RJRFIUFISA-N 1 0 333.273 4.478 20 30 EIEDRO C=CCCC1(C(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)CC1 ZINC000476578196 1039386459 /nfs/dbraw/zinc/38/64/59/1039386459.db2.gz ZYJZSULMUUZRGK-UHFFFAOYSA-N 1 0 332.532 4.093 20 30 EIEDRO COc1cc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)ccc1C#N ZINC000555644462 1039486986 /nfs/dbraw/zinc/48/69/86/1039486986.db2.gz GJRKDQZUUXOVDB-WKILWMFISA-N 1 0 326.827 4.256 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1OCCCC#N ZINC000092781230 1039586591 /nfs/dbraw/zinc/58/65/91/1039586591.db2.gz HSSXACTZEWMEKQ-GOSISDBHSA-N 1 0 328.456 4.142 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](c2cccnc2)C2CC2)ccc1OC ZINC000534645635 1039622525 /nfs/dbraw/zinc/62/25/25/1039622525.db2.gz IVFWYPDXVRYZQC-OAQYLSRUSA-N 1 0 338.451 4.286 20 30 EIEDRO Cc1ccc(CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C#N ZINC000600553528 1039834106 /nfs/dbraw/zinc/83/41/06/1039834106.db2.gz UJTDIWGUMVEKGN-ROUUACIJSA-N 1 0 349.478 4.088 20 30 EIEDRO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924983393 1039838108 /nfs/dbraw/zinc/83/81/08/1039838108.db2.gz BJRCFNKAQOKJCM-MRXNPFEDSA-N 1 0 325.456 4.033 20 30 EIEDRO CCC[N@H+](CCCOc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000510010544 1039849941 /nfs/dbraw/zinc/84/99/41/1039849941.db2.gz HJMXJKPYRWOUGV-UHFFFAOYSA-N 1 0 338.451 4.248 20 30 EIEDRO COCC[N@H+](Cc1cc2c(cc(C)cc2C)[nH]1)Cc1ccc(C#N)cc1 ZINC000481928710 1039901021 /nfs/dbraw/zinc/90/10/21/1039901021.db2.gz AKIRGQCWRGBXCQ-UHFFFAOYSA-N 1 0 347.462 4.305 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000924622103 1039924615 /nfs/dbraw/zinc/92/46/15/1039924615.db2.gz ABAMTDHMGVZDMR-ZDUSSCGKSA-N 1 0 328.378 4.183 20 30 EIEDRO C[NH+](C)CCOc1cccc(N[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000481993187 1039936447 /nfs/dbraw/zinc/93/64/47/1039936447.db2.gz SVLSYTLOYLUSDC-JOCHJYFZSA-N 1 0 349.478 4.378 20 30 EIEDRO C=CCC[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000434986163 1039977733 /nfs/dbraw/zinc/97/77/33/1039977733.db2.gz NAOXSMFKXYTDME-GOSISDBHSA-N 1 0 343.515 4.302 20 30 EIEDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000478913890 1040013817 /nfs/dbraw/zinc/01/38/17/1040013817.db2.gz VBAVTQUEONNLNU-HTAPYJJXSA-N 1 0 333.479 4.119 20 30 EIEDRO C[NH+](C)Cc1ccc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)cc1 ZINC000514755446 1040207139 /nfs/dbraw/zinc/20/71/39/1040207139.db2.gz KBKBGZAZBAFEHR-IBGZPJMESA-N 1 0 346.434 4.038 20 30 EIEDRO CCc1ccc([C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)N(C)C)cc1 ZINC000514820792 1040257297 /nfs/dbraw/zinc/25/72/97/1040257297.db2.gz PIRHZPGAQSKBNT-FGZHOGPDSA-N 1 0 333.479 4.000 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)Cc1cc(F)cc2c1OCOC2 ZINC000470906158 1040270371 /nfs/dbraw/zinc/27/03/71/1040270371.db2.gz LKPCRZWXYQBRHL-UHFFFAOYSA-N 1 0 327.399 4.271 20 30 EIEDRO C=C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000535439880 1040272089 /nfs/dbraw/zinc/27/20/89/1040272089.db2.gz IXCGNLWLTCWDNB-RBBKRZOGSA-N 1 0 348.490 4.079 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000029828389 1040279165 /nfs/dbraw/zinc/27/91/65/1040279165.db2.gz DVGCUMMEQCWGJZ-INIZCTEOSA-N 1 0 335.382 4.218 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1OC ZINC000194351046 1040281505 /nfs/dbraw/zinc/28/15/05/1040281505.db2.gz WYROYANOHVLEPL-GJZGRUSLSA-N 1 0 340.423 4.018 20 30 EIEDRO CCc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000553580221 1040304825 /nfs/dbraw/zinc/30/48/25/1040304825.db2.gz IYPPCQFKSUSBHS-OAHLLOKOSA-N 1 0 343.471 4.080 20 30 EIEDRO C=CCCOCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000479396951 1040313943 /nfs/dbraw/zinc/31/39/43/1040313943.db2.gz WGGWAGZWXKQOSP-INIZCTEOSA-N 1 0 342.252 4.222 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cc(OC)c1O ZINC000482512688 1040316958 /nfs/dbraw/zinc/31/69/58/1040316958.db2.gz WCAMXAJQZQKVNH-WFASDCNBSA-N 1 0 343.389 4.292 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)c1 ZINC000425355092 1040324807 /nfs/dbraw/zinc/32/48/07/1040324807.db2.gz UCBUOKRQOAYYGZ-UHFFFAOYSA-N 1 0 337.492 4.273 20 30 EIEDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000535550015 1040356202 /nfs/dbraw/zinc/35/62/02/1040356202.db2.gz IWRHYTAUHDRXEB-UHFFFAOYSA-N 1 0 334.463 4.097 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000425375039 1040373072 /nfs/dbraw/zinc/37/30/72/1040373072.db2.gz RTKNBGVFKCSDML-FQEVSTJZSA-N 1 0 327.468 4.033 20 30 EIEDRO CC(C)c1ccc(C[C@@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)cc1 ZINC000551554358 1040405085 /nfs/dbraw/zinc/40/50/85/1040405085.db2.gz HVIKPGUWRGHFJP-MRXNPFEDSA-N 1 0 332.451 4.050 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](CC)c2cc(Cl)ccc2OC)CC1 ZINC000482636826 1040410158 /nfs/dbraw/zinc/41/01/58/1040410158.db2.gz NDJDFYPRVQKFCE-GOSISDBHSA-N 1 0 336.907 4.430 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000482652103 1040412657 /nfs/dbraw/zinc/41/26/57/1040412657.db2.gz PZPYXUMHOXFVDG-HNNXBMFYSA-N 1 0 328.456 4.051 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000479521257 1040439242 /nfs/dbraw/zinc/43/92/42/1040439242.db2.gz BSKAJCVEURTAJV-CQSZACIVSA-N 1 0 348.368 4.393 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000553709296 1040443947 /nfs/dbraw/zinc/44/39/47/1040443947.db2.gz CMUHZDKLPCFKIC-UCLAIMLFSA-N 1 0 349.906 4.070 20 30 EIEDRO CC(C)CCN(CCC#N)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455897044 1040447150 /nfs/dbraw/zinc/44/71/50/1040447150.db2.gz DNPIBWDUOYOWAR-IBGZPJMESA-N 1 0 342.487 4.029 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000539467195 1040461797 /nfs/dbraw/zinc/46/17/97/1040461797.db2.gz VOIPUUVBWNGNNU-IPMKNSEASA-N 1 0 335.536 4.027 20 30 EIEDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000539495468 1040470868 /nfs/dbraw/zinc/47/08/68/1040470868.db2.gz SJVHOHGLIIFZTP-XMSQKQJNSA-N 1 0 333.479 4.354 20 30 EIEDRO C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)c1cccc(C#N)c1 ZINC000539510264 1040504275 /nfs/dbraw/zinc/50/42/75/1040504275.db2.gz TYCGPYLZJIUXPP-CYBMUJFWSA-N 1 0 340.377 4.196 20 30 EIEDRO N#Cc1cccc(OCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000477436155 1040506619 /nfs/dbraw/zinc/50/66/19/1040506619.db2.gz KFRGTVZHCVFUSY-UHFFFAOYSA-N 1 0 346.352 4.235 20 30 EIEDRO C[C@H](Nc1c(F)cc(C#N)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000386257571 1040522543 /nfs/dbraw/zinc/52/25/43/1040522543.db2.gz FATQSCYVTVQLSN-YOEHRIQHSA-N 1 0 341.405 4.159 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cc(F)cc(Br)c3)CC2)c1 ZINC000551711308 1040528295 /nfs/dbraw/zinc/52/82/95/1040528295.db2.gz QWCBQQUMAOLEKS-UHFFFAOYSA-N 1 0 345.215 4.239 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(C)C ZINC000553828891 1040564661 /nfs/dbraw/zinc/56/46/61/1040564661.db2.gz OLFCZCTYNAVVOW-UHFFFAOYSA-N 1 0 347.528 4.195 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000435746158 1040599535 /nfs/dbraw/zinc/59/95/35/1040599535.db2.gz UIDYFXZENQYOHI-AEFFLSMTSA-N 1 0 328.481 4.189 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000539608465 1040604364 /nfs/dbraw/zinc/60/43/64/1040604364.db2.gz MKEXKLLPQZTQND-NSHDSACASA-N 1 0 338.304 4.447 20 30 EIEDRO C=CCC[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccccc1 ZINC000435758805 1040612849 /nfs/dbraw/zinc/61/28/49/1040612849.db2.gz FUHUFSYDYDOCLS-FQEVSTJZSA-N 1 0 343.515 4.210 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000249255912 1040638247 /nfs/dbraw/zinc/63/82/47/1040638247.db2.gz GKOXGXKDCULORC-XJKSGUPXSA-N 1 0 348.372 4.172 20 30 EIEDRO C[C@@H](c1ccsc1)[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000613185819 1040727992 /nfs/dbraw/zinc/72/79/92/1040727992.db2.gz ZXUUHDUKPWSFTN-HNNXBMFYSA-N 1 0 348.475 4.051 20 30 EIEDRO CC[N@H+](Cc1ccc(N(C)C(C)C)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000483165321 1040752123 /nfs/dbraw/zinc/75/21/23/1040752123.db2.gz BXASVJCAYYTLIU-QGZVFWFLSA-N 1 0 336.483 4.381 20 30 EIEDRO Cn1cc(C[N@@H+]2CCCCC[C@H]2/C=C\c2cccs2)cc1C#N ZINC000483307340 1040812092 /nfs/dbraw/zinc/81/20/92/1040812092.db2.gz HDGIVWBKUFNENP-JJEJIETFSA-N 1 0 325.481 4.416 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CCc2ccc(C#N)cc2)ccc1SC ZINC000595057880 1040828762 /nfs/dbraw/zinc/82/87/62/1040828762.db2.gz YGBXHVZOQYCNLR-AWEZNQCLSA-N 1 0 326.465 4.182 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(OC)cc2)c1 ZINC000537868328 1040863640 /nfs/dbraw/zinc/86/36/40/1040863640.db2.gz NXUPVIAGYDRIRB-IERDGZPVSA-N 1 0 341.451 4.126 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)c1 ZINC000462739585 1040884990 /nfs/dbraw/zinc/88/49/90/1040884990.db2.gz OJICDXGXQWNZAA-LJQANCHMSA-N 1 0 331.843 4.382 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](OC)c1ccc(Cl)cc1 ZINC000462743501 1040892921 /nfs/dbraw/zinc/89/29/21/1040892921.db2.gz SRXZONQNYRKTGJ-LJQANCHMSA-N 1 0 331.843 4.382 20 30 EIEDRO CC[NH+](CC)CCOc1ccc(CNc2ccc(F)cc2C#N)cc1 ZINC000462783858 1040923084 /nfs/dbraw/zinc/92/30/84/1040923084.db2.gz XAZSMJRIWAMZCU-UHFFFAOYSA-N 1 0 341.430 4.030 20 30 EIEDRO N#Cc1cc(Br)ccc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000554265103 1040926587 /nfs/dbraw/zinc/92/65/87/1040926587.db2.gz OSPPCSMKBFGEOE-SNVBAGLBSA-N 1 0 347.178 4.095 20 30 EIEDRO COc1cccc2c1CC[C@@H]2[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000537985035 1040960770 /nfs/dbraw/zinc/96/07/70/1040960770.db2.gz QFHXMOXBGSXODL-SFHVURJKSA-N 1 0 345.364 4.343 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000483703948 1040967362 /nfs/dbraw/zinc/96/73/62/1040967362.db2.gz YOSMZYSEUHWRGB-QUCCMNQESA-N 1 0 342.389 4.189 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccccc1OC)C1CCCC1 ZINC000436286847 1041036293 /nfs/dbraw/zinc/03/62/93/1041036293.db2.gz BIKUURIUORAMES-WMQCIHAUSA-N 1 0 329.484 4.497 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1ccc(OC(F)F)cc1 ZINC000436287005 1041037210 /nfs/dbraw/zinc/03/72/10/1041037210.db2.gz IAMHFPWFDSXSLP-OIISXLGYSA-N 1 0 325.399 4.310 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000436292337 1041057183 /nfs/dbraw/zinc/05/71/83/1041057183.db2.gz LJTBXVGOWXAFHB-QRTARXTBSA-N 1 0 327.390 4.207 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000554376005 1041060690 /nfs/dbraw/zinc/06/06/90/1041060690.db2.gz BJCRBRJSWGUPCV-LSDHHAIUSA-N 1 0 334.426 4.044 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 ZINC000483933095 1041072044 /nfs/dbraw/zinc/07/20/44/1041072044.db2.gz MKSVBPGWDRKKPO-UHFFFAOYSA-N 1 0 347.231 4.485 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1F ZINC000483956784 1041073088 /nfs/dbraw/zinc/07/30/88/1041073088.db2.gz NTDDLEKWUSJIJD-MRXNPFEDSA-N 1 0 326.440 4.312 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000436306409 1041075802 /nfs/dbraw/zinc/07/58/02/1041075802.db2.gz IBIJQGFWTGCZOB-RBOXIYTFSA-N 1 0 342.252 4.220 20 30 EIEDRO C[N@@H+](CC#Cc1ccccc1)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000483952696 1041077741 /nfs/dbraw/zinc/07/77/41/1041077741.db2.gz YPMKDOKLVKOAKB-UHFFFAOYSA-N 1 0 347.437 4.132 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@@H](CC(C)C)c2ccccc2)c1C#N ZINC000538144778 1041078070 /nfs/dbraw/zinc/07/80/70/1041078070.db2.gz ZFHNNXXKJIRMFD-FQEVSTJZSA-N 1 0 336.435 4.222 20 30 EIEDRO N#Cc1cccc(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000515785109 1041106240 /nfs/dbraw/zinc/10/62/40/1041106240.db2.gz VRHBCHKGKSKCRT-UHFFFAOYSA-N 1 0 348.450 4.231 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000484090229 1041116036 /nfs/dbraw/zinc/11/60/36/1041116036.db2.gz APZZKKRVJKYPQI-KZULUSFZSA-N 1 0 332.806 4.217 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000538193810 1041162001 /nfs/dbraw/zinc/16/20/01/1041162001.db2.gz GOSFAKPCSWVBLC-UYAOXDASSA-N 1 0 325.839 4.059 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000538226352 1041183758 /nfs/dbraw/zinc/18/37/58/1041183758.db2.gz NVOVVQYDLYWNCU-IEBWSBKVSA-N 1 0 325.452 4.243 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000540159968 1041190736 /nfs/dbraw/zinc/19/07/36/1041190736.db2.gz FCVIQOOELHAPRF-KBWCOIMZSA-N 1 0 338.495 4.472 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000540171857 1041214860 /nfs/dbraw/zinc/21/48/60/1041214860.db2.gz DOCLQVJAFHYCBF-LJQANCHMSA-N 1 0 326.440 4.208 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccccc1 ZINC000538260217 1041219546 /nfs/dbraw/zinc/21/95/46/1041219546.db2.gz XMXLSXZIHJCHOL-INIZCTEOSA-N 1 0 341.455 4.208 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000538280985 1041236975 /nfs/dbraw/zinc/23/69/75/1041236975.db2.gz ZKSYXTLLHWGJOC-CQSZACIVSA-N 1 0 328.799 4.259 20 30 EIEDRO Cn1cc(C[NH2+]CC2(Sc3ccccc3)CCCC2)cc1C#N ZINC000480355728 1041237549 /nfs/dbraw/zinc/23/75/49/1041237549.db2.gz KMUUXTKDUDQVRG-UHFFFAOYSA-N 1 0 325.481 4.091 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c(OC(F)F)c1 ZINC000538389985 1041308413 /nfs/dbraw/zinc/30/84/13/1041308413.db2.gz MVHHTMFQXNPUJQ-SFHVURJKSA-N 1 0 328.362 4.401 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)s1 ZINC000538420391 1041321297 /nfs/dbraw/zinc/32/12/97/1041321297.db2.gz OPTVPZOGUUCCLP-UHFFFAOYSA-N 1 0 333.869 4.215 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000538408764 1041327612 /nfs/dbraw/zinc/32/76/12/1041327612.db2.gz PWZNIBBFSWMHGS-BDTNDASRSA-N 1 0 344.458 4.272 20 30 EIEDRO CCCC[N@H+](C)CC1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000480521607 1041353332 /nfs/dbraw/zinc/35/33/32/1041353332.db2.gz FVHKXDODEPPJEY-UHFFFAOYSA-N 1 0 333.907 4.156 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000538507298 1041395080 /nfs/dbraw/zinc/39/50/80/1041395080.db2.gz UTOPPFCBVHEJPQ-IAOVAPTHSA-N 1 0 327.390 4.116 20 30 EIEDRO COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538507564 1041396748 /nfs/dbraw/zinc/39/67/48/1041396748.db2.gz NMAQDRMGMOIJIQ-AWEZNQCLSA-N 1 0 326.415 4.334 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CCC)c2ccc(Cl)cc2)CC1 ZINC000668370451 1041407029 /nfs/dbraw/zinc/40/70/29/1041407029.db2.gz XUKYYEHSCHMAGA-LJQANCHMSA-N 1 0 348.918 4.380 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2cc(Cl)ccc2Br)C1 ZINC000463235555 1041441885 /nfs/dbraw/zinc/44/18/85/1041441885.db2.gz XLNYETUULDNRSN-FZMZJTMJSA-N 1 0 341.680 4.317 20 30 EIEDRO C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000538591205 1041441018 /nfs/dbraw/zinc/44/10/18/1041441018.db2.gz JHKYKBXCVYCYOL-KURKYZTESA-N 1 0 349.478 4.341 20 30 EIEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1Br ZINC000463237535 1041445247 /nfs/dbraw/zinc/44/52/47/1041445247.db2.gz WGLOSTDJRRJDPK-KGLIPLIRSA-N 1 0 335.289 4.399 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C#N)cc1 ZINC000554847691 1041446398 /nfs/dbraw/zinc/44/63/98/1041446398.db2.gz BWBCDQQICXFILK-LLVKDONJSA-N 1 0 348.233 4.154 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(C)(C)C)c1ccc(C#N)cc1 ZINC000554839597 1041449813 /nfs/dbraw/zinc/44/98/13/1041449813.db2.gz KBFRNWJVIHAXLC-HNNXBMFYSA-N 1 0 335.451 4.145 20 30 EIEDRO CCc1ccc(C(C)(C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000540455382 1041477666 /nfs/dbraw/zinc/47/76/66/1041477666.db2.gz FVXQJABTPDJAHI-UHFFFAOYSA-N 1 0 349.478 4.021 20 30 EIEDRO CC(C)C(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000463273469 1041477804 /nfs/dbraw/zinc/47/78/04/1041477804.db2.gz LKQUPGRQKPACNC-UHFFFAOYSA-N 1 0 327.516 4.040 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000540476186 1041480135 /nfs/dbraw/zinc/48/01/35/1041480135.db2.gz RRSUTKDUBFXOEW-IBGZPJMESA-N 1 0 338.451 4.452 20 30 EIEDRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463294185 1041480621 /nfs/dbraw/zinc/48/06/21/1041480621.db2.gz CBDLKLIKZMYWMO-HZSPNIEDSA-N 1 0 326.362 4.145 20 30 EIEDRO CC[NH+](CC)[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000425636337 1041504684 /nfs/dbraw/zinc/50/46/84/1041504684.db2.gz JPQUOSPIRBYPAO-UTKZUKDTSA-N 1 0 349.478 4.161 20 30 EIEDRO Fc1ccc(C(F)(F)F)cc1C[NH2+]CCSCC(F)(F)F ZINC000538759916 1041519291 /nfs/dbraw/zinc/51/92/91/1041519291.db2.gz CYTIANAMLKSCEQ-UHFFFAOYSA-N 1 0 335.288 4.230 20 30 EIEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000538751264 1041523561 /nfs/dbraw/zinc/52/35/61/1041523561.db2.gz YOGOAHCLVYZCDP-NRFANRHFSA-N 1 0 337.463 4.290 20 30 EIEDRO N#Cc1ccc(C2=CCN(Cc3cnc4ccc(Cl)cn34)CC2)cc1 ZINC000538823873 1041556766 /nfs/dbraw/zinc/55/67/66/1041556766.db2.gz KSZBWJKEGCVSJK-UHFFFAOYSA-N 1 0 348.837 4.149 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCc4ccc(C#N)cc4)C3)nc2c1 ZINC000595403686 1041599074 /nfs/dbraw/zinc/59/90/74/1041599074.db2.gz IBJJRHJLAATHRA-LJQANCHMSA-N 1 0 344.462 4.165 20 30 EIEDRO C[C@@H](NCC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708109 1041608195 /nfs/dbraw/zinc/60/81/95/1041608195.db2.gz SYENMJCCLNFJRQ-IAGOWNOFSA-N 1 0 339.458 4.259 20 30 EIEDRO C[C@@H](CCc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437075987 1041625983 /nfs/dbraw/zinc/62/59/83/1041625983.db2.gz UBYJPOZEUVIEJC-RPCJCACASA-N 1 0 349.478 4.254 20 30 EIEDRO CC[NH+](CC)Cc1ccc(Br)cc1NCCCCC#N ZINC001168436180 1041629614 /nfs/dbraw/zinc/62/96/14/1041629614.db2.gz LJRRDBMTZNLJNG-UHFFFAOYSA-N 1 0 338.293 4.397 20 30 EIEDRO Cc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1Br ZINC000516690434 1041710210 /nfs/dbraw/zinc/71/02/10/1041710210.db2.gz OEUSUTQLOIRUAD-KRWDZBQOSA-N 1 0 341.252 4.406 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000540918669 1041739268 /nfs/dbraw/zinc/73/92/68/1041739268.db2.gz VODACIJTKSONFF-IMFGXOCKSA-N 1 0 334.467 4.017 20 30 EIEDRO Cc1ccccc1OCC[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000506129451 1041909257 /nfs/dbraw/zinc/90/92/57/1041909257.db2.gz XYRPEEYFRMAAEO-UHFFFAOYSA-N 1 0 338.451 4.188 20 30 EIEDRO C[N@H+](CCOc1ccc(Cl)cc1Cl)Cc1cccc(C#N)c1 ZINC000506136032 1041920180 /nfs/dbraw/zinc/92/01/80/1041920180.db2.gz PWZNEZIUJTTWDQ-UHFFFAOYSA-N 1 0 335.234 4.376 20 30 EIEDRO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000438068126 1042037653 /nfs/dbraw/zinc/03/76/53/1042037653.db2.gz RASPABWKOOLIFQ-OAQYLSRUSA-N 1 0 344.499 4.086 20 30 EIEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000541659115 1042060457 /nfs/dbraw/zinc/06/04/57/1042060457.db2.gz WDSROGRLTMJIGL-AWEZNQCLSA-N 1 0 343.496 4.432 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCc3ccccc3C2)ccc1OC ZINC000517542245 1042064887 /nfs/dbraw/zinc/06/48/87/1042064887.db2.gz VZHPGVCJTSKUPJ-HXUWFJFHSA-N 1 0 337.463 4.297 20 30 EIEDRO Clc1cccc(C#CC[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000438170648 1042070011 /nfs/dbraw/zinc/07/00/11/1042070011.db2.gz QPHDQIAMFFLQKR-HXUWFJFHSA-N 1 0 339.866 4.230 20 30 EIEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000517558203 1042073820 /nfs/dbraw/zinc/07/38/20/1042073820.db2.gz GMLHORBZLQIRAL-GHTZIAJQSA-N 1 0 333.435 4.012 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CCSC3CCCCC3)CCOCC2)c1 ZINC000595769822 1042091611 /nfs/dbraw/zinc/09/16/11/1042091611.db2.gz STQMJQQWBGZGAE-UHFFFAOYSA-N 1 0 344.524 4.219 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000464648728 1042097191 /nfs/dbraw/zinc/09/71/91/1042097191.db2.gz NMLYTLMIHXODGM-GOSISDBHSA-N 1 0 328.500 4.281 20 30 EIEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000517878924 1042245854 /nfs/dbraw/zinc/24/58/54/1042245854.db2.gz GQFYVDYYQPYYTG-HXUWFJFHSA-N 1 0 349.434 4.163 20 30 EIEDRO C=CCOc1c(Br)cc(C[N@@H+](CC)C(C)C)cc1OC ZINC000506355075 1042339379 /nfs/dbraw/zinc/33/93/79/1042339379.db2.gz HFPDHZGWIBKEMW-UHFFFAOYSA-N 1 0 342.277 4.253 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000509589839 1042395787 /nfs/dbraw/zinc/39/57/87/1042395787.db2.gz XZHWNWGNTZZLQE-LJQANCHMSA-N 1 0 337.467 4.028 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2CC(F)(F)C2)c1 ZINC000491558821 1042471880 /nfs/dbraw/zinc/47/18/80/1042471880.db2.gz HCTOVVFVWDRWEH-UHFFFAOYSA-N 1 0 342.389 4.272 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCCC(F)(F)C2)cc(OC)c1O ZINC000491592280 1042475916 /nfs/dbraw/zinc/47/59/16/1042475916.db2.gz TTYAMLKIFBJYNM-CQSZACIVSA-N 1 0 339.426 4.435 20 30 EIEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000506475184 1042477516 /nfs/dbraw/zinc/47/75/16/1042477516.db2.gz SWWDXUHKQRVEBA-AWEZNQCLSA-N 1 0 327.209 4.004 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1ccccc1OC)N1CCCC1)C1CC1 ZINC000439075744 1042486665 /nfs/dbraw/zinc/48/66/65/1042486665.db2.gz HHLSMUNMOVSKNA-UXHICEINSA-N 1 0 328.500 4.167 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000271900917 1042491058 /nfs/dbraw/zinc/49/10/58/1042491058.db2.gz ALIFMODOCIWQND-GJZGRUSLSA-N 1 0 341.405 4.014 20 30 EIEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000443849413 1042519191 /nfs/dbraw/zinc/51/91/91/1042519191.db2.gz DFWDZTWTDUIRPF-ACAXCVFMSA-N 1 0 339.483 4.225 20 30 EIEDRO C=CCOc1cccc(CNC(C)(C)c2cc(C(F)(F)F)on2)c1 ZINC000492112869 1042559351 /nfs/dbraw/zinc/55/93/51/1042559351.db2.gz XPNBNMGTSYCPCE-UHFFFAOYSA-N 1 0 340.345 4.283 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccc3Br)CCC2)C1 ZINC000426327001 1042560063 /nfs/dbraw/zinc/56/00/63/1042560063.db2.gz OMDPJMMVFKNDQP-ZIAGYGMSSA-N 1 0 333.273 4.153 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C2CC2)cc1 ZINC000506547053 1042586785 /nfs/dbraw/zinc/58/67/85/1042586785.db2.gz OLOISXCDXDXNAW-UHFFFAOYSA-N 1 0 346.352 4.463 20 30 EIEDRO COc1ccc2oc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)cc2c1 ZINC000506553110 1042593681 /nfs/dbraw/zinc/59/36/81/1042593681.db2.gz UHBMHXGBLOLRNM-UHFFFAOYSA-N 1 0 332.403 4.478 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609157718 1042628237 /nfs/dbraw/zinc/62/82/37/1042628237.db2.gz RRTBPTPEIHDCLV-OAQYLSRUSA-N 1 0 342.446 4.259 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2cccc(C)c2)ccc1OC ZINC000518772855 1042680156 /nfs/dbraw/zinc/68/01/56/1042680156.db2.gz JBHCMJSNJSXINE-UHFFFAOYSA-N 1 0 325.452 4.291 20 30 EIEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000518770251 1042685067 /nfs/dbraw/zinc/68/50/67/1042685067.db2.gz FSLDGKGCGCAUFL-ZWKOTPCHSA-N 1 0 330.472 4.436 20 30 EIEDRO C=CCOc1cccc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000506631408 1042706304 /nfs/dbraw/zinc/70/63/04/1042706304.db2.gz IFGWLGCMQDEEAX-UHFFFAOYSA-N 1 0 345.446 4.417 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](COC)c2cccc(Cl)c2)cc1 ZINC000518827524 1042714797 /nfs/dbraw/zinc/71/47/97/1042714797.db2.gz WOHOFZQLYJWCRU-LJQANCHMSA-N 1 0 331.843 4.382 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3Br)ccc1C#N ZINC000443986900 1042735044 /nfs/dbraw/zinc/73/50/44/1042735044.db2.gz GLAAUWZFTUVTSM-GOSISDBHSA-N 1 0 341.252 4.406 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)ccc1C#N ZINC000443997677 1042744064 /nfs/dbraw/zinc/74/40/64/1042744064.db2.gz YDWYSOAQOWNLOR-UHFFFAOYSA-N 1 0 348.368 4.235 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)ccc1C#N ZINC000443998442 1042744129 /nfs/dbraw/zinc/74/41/29/1042744129.db2.gz USTOBUWJUVOMTR-UHFFFAOYSA-N 1 0 336.435 4.112 20 30 EIEDRO CC(C)C[C@@H](CNC(=O)c1cccc(C#N)c1)[NH2+][C@@H](C)c1ccccc1 ZINC000518985754 1042781966 /nfs/dbraw/zinc/78/19/66/1042781966.db2.gz WTIXHXOTRGYQRH-UWJYYQICSA-N 1 0 349.478 4.054 20 30 EIEDRO C=CCC[N@@H+](C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000467389870 1042785570 /nfs/dbraw/zinc/78/55/70/1042785570.db2.gz MMOQCBZCYMWIOK-UHFFFAOYSA-N 1 0 327.472 4.322 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176033173 1042795597 /nfs/dbraw/zinc/79/55/97/1042795597.db2.gz OAFOBCHFBUNEID-UHFFFAOYSA-N 1 0 347.547 4.171 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000322985579 1042839217 /nfs/dbraw/zinc/83/92/17/1042839217.db2.gz XFZPTLQBVRVUMU-QXAKKESOSA-N 1 0 332.875 4.117 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cccc(C#N)c1 ZINC000130232958 1042843874 /nfs/dbraw/zinc/84/38/74/1042843874.db2.gz RPMWYOBUHWWSIR-QGTPRVQTSA-N 1 0 343.471 4.045 20 30 EIEDRO CCC1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC000507768733 1042856993 /nfs/dbraw/zinc/85/69/93/1042856993.db2.gz SZPYBIVEVVVUQK-UHFFFAOYSA-N 1 0 327.472 4.202 20 30 EIEDRO CC1(C)CCC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000507772002 1042872202 /nfs/dbraw/zinc/87/22/02/1042872202.db2.gz YHUFYLAXJMGXIQ-ADKAHSJRSA-N 1 0 327.472 4.202 20 30 EIEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000493571985 1042931615 /nfs/dbraw/zinc/93/16/15/1042931615.db2.gz IZUGQMCNMJWUCX-FUHWJXTLSA-N 1 0 338.455 4.303 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(OC2CCOCC2)c1)c1ccco1 ZINC000285960335 1042936982 /nfs/dbraw/zinc/93/69/82/1042936982.db2.gz GOQWVZMASLZTGY-GOSISDBHSA-N 1 0 342.439 4.030 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)cc1 ZINC000152703128 1042947761 /nfs/dbraw/zinc/94/77/61/1042947761.db2.gz GGYLDCGNAKMNHC-OAHLLOKOSA-N 1 0 340.854 4.452 20 30 EIEDRO C=CCC(C)(C)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000493725276 1042953125 /nfs/dbraw/zinc/95/31/25/1042953125.db2.gz PYLWATPMRFTVSW-UHFFFAOYSA-N 1 0 340.511 4.103 20 30 EIEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)[C@@H](C)CN1CCCC(C)(C)C#N ZINC000441657726 1042964700 /nfs/dbraw/zinc/96/47/00/1042964700.db2.gz SXWWYLSDWFACRB-HDICACEKSA-N 1 0 332.536 4.041 20 30 EIEDRO COc1c(O)cccc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000494003722 1043001516 /nfs/dbraw/zinc/00/15/16/1043001516.db2.gz LSHXWMAGONKWKR-UHFFFAOYSA-N 1 0 344.414 4.229 20 30 EIEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2cc3ccccc3o2)CC1 ZINC000509148480 1043071469 /nfs/dbraw/zinc/07/14/69/1043071469.db2.gz ANPCJJQQXCJHDG-UHFFFAOYSA-N 1 0 331.419 4.017 20 30 EIEDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000076388369 1043089675 /nfs/dbraw/zinc/08/96/75/1043089675.db2.gz SDKGAADSTLATAE-IEBWSBKVSA-N 1 0 347.462 4.073 20 30 EIEDRO C[C@H]1CC(NCC2(C#N)CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168009054 1043091677 /nfs/dbraw/zinc/09/16/77/1043091677.db2.gz YNIGHYUCOUJOEV-ROUUACIJSA-N 1 0 325.500 4.102 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H](COC)c2ccccc2)c(O)c1 ZINC000727061868 1043126129 /nfs/dbraw/zinc/12/61/29/1043126129.db2.gz PJBWMZKPBRTELA-KNGGAZFVSA-N 1 0 326.440 4.045 20 30 EIEDRO C=C(C)[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000184847049 1043134128 /nfs/dbraw/zinc/13/41/28/1043134128.db2.gz ZRGPDWUPYAGMNS-LJQANCHMSA-N 1 0 344.405 4.074 20 30 EIEDRO N#CCCCC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185639055 1043208366 /nfs/dbraw/zinc/20/83/66/1043208366.db2.gz XFXUTFOOJUQAGW-HNNXBMFYSA-N 1 0 325.225 4.419 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1OC1CCCC1 ZINC000185813303 1043222301 /nfs/dbraw/zinc/22/23/01/1043222301.db2.gz HTMORUJTGASDAX-NVXWUHKLSA-N 1 0 328.456 4.189 20 30 EIEDRO CCC[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000077266006 1043272394 /nfs/dbraw/zinc/27/23/94/1043272394.db2.gz YLCZDHVUFKYJAS-UHFFFAOYSA-N 1 0 346.434 4.063 20 30 EIEDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000065165066 1043279462 /nfs/dbraw/zinc/27/94/62/1043279462.db2.gz AMEHGQVUVNPOGU-UHFFFAOYSA-N 1 0 326.415 4.126 20 30 EIEDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000311597252 1043310704 /nfs/dbraw/zinc/31/07/04/1043310704.db2.gz FPTDKLWEPMNPSX-CABCVRRESA-N 1 0 339.302 4.085 20 30 EIEDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000543557718 1043318355 /nfs/dbraw/zinc/31/83/55/1043318355.db2.gz GLIJHRCIZRKLGB-SFTDATJTSA-N 1 0 341.401 4.168 20 30 EIEDRO C=CCn1c(C)cc(C(=O)CN2CCC[C@@H]2c2ccc(O)cc2)c1C ZINC000674050305 1043352298 /nfs/dbraw/zinc/35/22/98/1043352298.db2.gz LXUFEWOFHQASIU-HXUWFJFHSA-N 1 0 338.451 4.016 20 30 EIEDRO C[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000229742844 1043367226 /nfs/dbraw/zinc/36/72/26/1043367226.db2.gz CWWWJFWKRJUEON-CHWSQXEVSA-N 1 0 325.378 4.109 20 30 EIEDRO Cc1cc(C#N)cc(C)c1CNc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000922073536 1043417260 /nfs/dbraw/zinc/41/72/60/1043417260.db2.gz JWCPQVBCPPWHNT-FQEVSTJZSA-N 1 0 335.451 4.172 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000729976064 1043423693 /nfs/dbraw/zinc/42/36/93/1043423693.db2.gz VRCOUFWBVBZNMH-DHZHZOJOSA-N 1 0 340.511 4.154 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1csc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000730019868 1043435321 /nfs/dbraw/zinc/43/53/21/1043435321.db2.gz TYUTWUNVQGHVBF-ZIAGYGMSSA-N 1 0 349.459 4.451 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C(C)(C)C)c1 ZINC000609195439 1043447023 /nfs/dbraw/zinc/44/70/23/1043447023.db2.gz TVYIXPSPHBIMDZ-IBGZPJMESA-N 1 0 341.499 4.061 20 30 EIEDRO CCN(C)c1ccccc1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000730108042 1043448193 /nfs/dbraw/zinc/44/81/93/1043448193.db2.gz COSCQGNMKYSXHF-UHFFFAOYSA-N 1 0 337.467 4.115 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)cc1 ZINC000520965508 1043465339 /nfs/dbraw/zinc/46/53/39/1043465339.db2.gz CVKOEKROUGVDCB-MRXNPFEDSA-N 1 0 339.435 4.091 20 30 EIEDRO CCC(CC)[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000609203665 1043481310 /nfs/dbraw/zinc/48/13/10/1043481310.db2.gz OUABSGSFTPUQHA-UHFFFAOYSA-N 1 0 341.499 4.203 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494483039 1043512607 /nfs/dbraw/zinc/51/26/07/1043512607.db2.gz HIUYTBRUINATDR-ROUUACIJSA-N 1 0 347.245 4.485 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000494488555 1043515448 /nfs/dbraw/zinc/51/54/48/1043515448.db2.gz TYNPSPGGWFVBLF-RBUKOAKNSA-N 1 0 326.827 4.026 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1F ZINC000494491406 1043517265 /nfs/dbraw/zinc/51/72/65/1043517265.db2.gz CSQZMLPKZUYNRU-WMZOPIPTSA-N 1 0 348.780 4.110 20 30 EIEDRO N#CC1(CCC[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CCOCC1 ZINC000499639331 1043587582 /nfs/dbraw/zinc/58/75/82/1043587582.db2.gz AFAQUYNJXOKZIH-PMACEKPBSA-N 1 0 326.484 4.403 20 30 EIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2nc3ccccc3[nH]2)CC1 ZINC000733902092 1043646269 /nfs/dbraw/zinc/64/62/69/1043646269.db2.gz LINPUXOXURQFMU-KSSFIOAISA-N 1 0 325.460 4.005 20 30 EIEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000010137311 1043732125 /nfs/dbraw/zinc/73/21/25/1043732125.db2.gz BOBRPEUZUFJODR-IBGZPJMESA-N 1 0 341.842 4.137 20 30 EIEDRO Cc1cccc(COc2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)c1 ZINC000190757372 1043735659 /nfs/dbraw/zinc/73/56/59/1043735659.db2.gz OCXRERLJIPQBQS-UHFFFAOYSA-N 1 0 345.446 4.074 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@H](c3ccc(F)cc3)C1)CC2 ZINC000555000019 1043781961 /nfs/dbraw/zinc/78/19/61/1043781961.db2.gz QPTCIPPHCJEWIS-CEWLAPEOSA-N 1 0 336.410 4.195 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@H](c3ccc(F)cc3)C1)CC2 ZINC000555000023 1043801470 /nfs/dbraw/zinc/80/14/70/1043801470.db2.gz QPTCIPPHCJEWIS-HMXCVIKNSA-N 1 0 336.410 4.195 20 30 EIEDRO C[C@H](CCc1ccccc1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000543097693 1043814932 /nfs/dbraw/zinc/81/49/32/1043814932.db2.gz UYTSCMIGPKYPHY-MDMXATFFSA-N 1 0 349.478 4.254 20 30 EIEDRO CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cn1 ZINC000442719568 1043822898 /nfs/dbraw/zinc/82/28/98/1043822898.db2.gz QISCUCKPEFRQBE-RDJZCZTQSA-N 1 0 337.423 4.054 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000442843764 1043854919 /nfs/dbraw/zinc/85/49/19/1043854919.db2.gz UFGMZZVOSDOJHC-BPQIPLTHSA-N 1 0 347.300 4.442 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467446577 1043861653 /nfs/dbraw/zinc/86/16/53/1043861653.db2.gz FCVPVBUZISILAH-QGZVFWFLSA-N 1 0 349.478 4.231 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000442871685 1043871278 /nfs/dbraw/zinc/87/12/78/1043871278.db2.gz MHKMMWHVYTVIKZ-IEBWSBKVSA-N 1 0 334.891 4.195 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000442853534 1043874432 /nfs/dbraw/zinc/87/44/32/1043874432.db2.gz HORRJAUZPIRVIZ-YUELXQCFSA-N 1 0 338.282 4.244 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000732450096 1043920960 /nfs/dbraw/zinc/92/09/60/1043920960.db2.gz NTIBLLROEWOGTH-KRWDZBQOSA-N 1 0 325.541 4.155 20 30 EIEDRO Cc1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000521822314 1044012990 /nfs/dbraw/zinc/01/29/90/1044012990.db2.gz JHLPASIIOZSFHZ-UHFFFAOYSA-N 1 0 349.478 4.272 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000821965810 1044025323 /nfs/dbraw/zinc/02/53/23/1044025323.db2.gz UOAYKRIXGVUEJI-UHFFFAOYSA-N 1 0 343.452 4.257 20 30 EIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000733902661 1044026498 /nfs/dbraw/zinc/02/64/98/1044026498.db2.gz YDFHCOBCWOSNAN-RDTXWAMCSA-N 1 0 330.432 4.037 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cs1 ZINC000521973074 1044130417 /nfs/dbraw/zinc/13/04/17/1044130417.db2.gz HYNAGSQPABAFQF-NNGSBXSVSA-N 1 0 341.480 4.364 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000521996710 1044146058 /nfs/dbraw/zinc/14/60/58/1044146058.db2.gz ZRQZRCDZKHRAFJ-DYVFJYSZSA-N 1 0 346.272 4.323 20 30 EIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1ccc(OCC#N)cc1 ZINC000733312735 1044180992 /nfs/dbraw/zinc/18/09/92/1044180992.db2.gz JCJQZCZFIFNFSB-UHFFFAOYSA-N 1 0 326.415 4.183 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccc(OC(F)F)cc2)cc1 ZINC000733322346 1044184068 /nfs/dbraw/zinc/18/40/68/1044184068.db2.gz HXOBOEUCOSTNHA-UHFFFAOYSA-N 1 0 345.389 4.022 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1ccc(C#N)s1 ZINC000245895229 1044207026 /nfs/dbraw/zinc/20/70/26/1044207026.db2.gz MXHSOBDEAZKEAB-PMUMKWKESA-N 1 0 345.537 4.415 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000174062153 1044215252 /nfs/dbraw/zinc/21/52/52/1044215252.db2.gz YUTRIHGQVCXCDW-OAHLLOKOSA-N 1 0 338.451 4.204 20 30 EIEDRO N#Cc1cc(CNc2ccc(SCC[NH+]3CCCC3)cc2)cs1 ZINC000922219429 1044244052 /nfs/dbraw/zinc/24/40/52/1044244052.db2.gz VPPQUKGRWZNMKM-UHFFFAOYSA-N 1 0 343.521 4.420 20 30 EIEDRO N#Cc1cc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)cs1 ZINC000922222832 1044253338 /nfs/dbraw/zinc/25/33/38/1044253338.db2.gz JZDSJVRYGOKRJU-UHFFFAOYSA-N 1 0 338.354 4.297 20 30 EIEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)o1 ZINC000174357354 1044263735 /nfs/dbraw/zinc/26/37/35/1044263735.db2.gz ILHQTLXSEAGWDJ-UHFFFAOYSA-N 1 0 333.229 4.025 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3cnc4ccccc4n3)CC2)C1 ZINC000733747069 1044299332 /nfs/dbraw/zinc/29/93/32/1044299332.db2.gz FLVHCLVEZRTKHJ-NVXWUHKLSA-N 1 0 337.471 4.072 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCC(C)(C)CO)cc1 ZINC000766142998 1044346905 /nfs/dbraw/zinc/34/69/05/1044346905.db2.gz TZLBDKQXNAICQK-OAHLLOKOSA-N 1 0 325.880 4.267 20 30 EIEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000246757566 1044359730 /nfs/dbraw/zinc/35/97/30/1044359730.db2.gz NNERYMQZMGLDMQ-MBOZVWFJSA-N 1 0 347.462 4.011 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CCCc2cnn(C)c2)C(C)(C)C)cc1 ZINC000675550064 1044380081 /nfs/dbraw/zinc/38/00/81/1044380081.db2.gz IEEYZQURKAEPHO-UHFFFAOYSA-N 1 0 341.499 4.218 20 30 EIEDRO C=CC[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000494821596 1044386476 /nfs/dbraw/zinc/38/64/76/1044386476.db2.gz LRHMPHKUCSPTCQ-OAQYLSRUSA-N 1 0 340.511 4.117 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000466414528 1044413141 /nfs/dbraw/zinc/41/31/41/1044413141.db2.gz KGSVWWLRUGYYKH-SIKLNZKXSA-N 1 0 340.511 4.103 20 30 EIEDRO C[C@@H]1CC(NCc2ccc(C#N)s2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168021541 1044438886 /nfs/dbraw/zinc/43/88/86/1044438886.db2.gz PWLILTROYJQQIJ-HZPDHXFCSA-N 1 0 339.508 4.151 20 30 EIEDRO C[NH+](C)CCc1ccc(CNc2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000466433778 1044458808 /nfs/dbraw/zinc/45/88/08/1044458808.db2.gz KZJCDMUNWGHBOC-UHFFFAOYSA-N 1 0 347.384 4.293 20 30 EIEDRO C[NH+](C)CCc1ccc(CNc2cc(C#N)ccc2C(F)(F)F)cc1 ZINC000466440560 1044476778 /nfs/dbraw/zinc/47/67/78/1044476778.db2.gz CWFMHYJFZNGISK-UHFFFAOYSA-N 1 0 347.384 4.293 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccccc2COC)c(O)c1 ZINC000914557822 1044482073 /nfs/dbraw/zinc/48/20/73/1044482073.db2.gz LQUCOQVWECXPHG-STZFKDTASA-N 1 0 326.440 4.004 20 30 EIEDRO C=CC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000494922194 1044520479 /nfs/dbraw/zinc/52/04/79/1044520479.db2.gz OAFBYQAFHCSSCW-VXKWHMMOSA-N 1 0 348.490 4.300 20 30 EIEDRO C[C@@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000734296648 1044525362 /nfs/dbraw/zinc/52/53/62/1044525362.db2.gz SUVFGBOQVBDMCH-OAHLLOKOSA-N 1 0 338.411 4.047 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000914582190 1044537584 /nfs/dbraw/zinc/53/75/84/1044537584.db2.gz XEEIJILARBFUMK-OAHLLOKOSA-N 1 0 335.403 4.304 20 30 EIEDRO C=CCOCC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000675925143 1044565508 /nfs/dbraw/zinc/56/55/08/1044565508.db2.gz NVMJWMNWNRIIBV-MRXNPFEDSA-N 1 0 349.272 4.100 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)C2CCCCC2)c(C#N)c1C ZINC000542530711 1044580605 /nfs/dbraw/zinc/58/06/05/1044580605.db2.gz HFONSWDMVLFNMR-CFVMTHIKSA-N 1 0 345.487 4.290 20 30 EIEDRO C[C@@H]1CC(NCC#Cc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024258 1044607350 /nfs/dbraw/zinc/60/73/50/1044607350.db2.gz CWGJGZIOXQQKFW-WOJBJXKFSA-N 1 0 332.491 4.069 20 30 EIEDRO C=CCCCN(C)Cc1ncc(Br)cc1Br ZINC000543446613 1044614244 /nfs/dbraw/zinc/61/42/44/1044614244.db2.gz IUBSGTPQVWUADV-UHFFFAOYSA-N 1 0 348.082 4.005 20 30 EIEDRO C=CCC[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000495055117 1044625064 /nfs/dbraw/zinc/62/50/64/1044625064.db2.gz ZBZHVRMXSLPLAQ-FPOVZHCZSA-N 1 0 342.527 4.365 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000495063587 1044630553 /nfs/dbraw/zinc/63/05/53/1044630553.db2.gz HCSXDUGGASJBAR-KUHUBIRLSA-N 1 0 333.834 4.343 20 30 EIEDRO CCCC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)C1CCC1 ZINC000543453401 1044633609 /nfs/dbraw/zinc/63/36/09/1044633609.db2.gz LWZJGXLDJXBQFR-XLIONFOSSA-N 1 0 341.499 4.270 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000495072044 1044636810 /nfs/dbraw/zinc/63/68/10/1044636810.db2.gz ZMSGALFUPMDHFB-FOIQADDNSA-N 1 0 345.870 4.212 20 30 EIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000495081960 1044653095 /nfs/dbraw/zinc/65/30/95/1044653095.db2.gz HVIVKDFULCLZTC-JXFKEZNVSA-N 1 0 335.451 4.084 20 30 EIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000495081961 1044654024 /nfs/dbraw/zinc/65/40/24/1044654024.db2.gz HVIVKDFULCLZTC-OXJNMPFZSA-N 1 0 335.451 4.084 20 30 EIEDRO COc1cccc(O)c1/C=N/C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000734749694 1044662120 /nfs/dbraw/zinc/66/21/20/1044662120.db2.gz LXMKJWIXYJUNLU-PZBNQXIHSA-N 1 0 338.451 4.045 20 30 EIEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2ccc(F)cc2)c1C ZINC000914693441 1044662356 /nfs/dbraw/zinc/66/23/56/1044662356.db2.gz WMQDPHDLOHRLKW-FQEVSTJZSA-N 1 0 342.462 4.174 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1cccc(C#N)c1 ZINC000495091721 1044662825 /nfs/dbraw/zinc/66/28/25/1044662825.db2.gz SVVCBPJUXDOSIU-CJNGLKHVSA-N 1 0 343.833 4.280 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000118393524 1044667600 /nfs/dbraw/zinc/66/76/00/1044667600.db2.gz WPKUMHGSXDVBQS-CQSZACIVSA-N 1 0 342.389 4.441 20 30 EIEDRO CC(C)C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000543484472 1044701174 /nfs/dbraw/zinc/70/11/74/1044701174.db2.gz BCNOKWJLPDVEGL-KRWDZBQOSA-N 1 0 341.480 4.325 20 30 EIEDRO C=CC[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000495139931 1044714163 /nfs/dbraw/zinc/71/41/63/1044714163.db2.gz NDOSSRQKOFOATH-LEWJYISDSA-N 1 0 336.479 4.074 20 30 EIEDRO CCCCCCCCC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000914778417 1044756838 /nfs/dbraw/zinc/75/68/38/1044756838.db2.gz SRHHRFPFNPVLGT-UHFFFAOYSA-N 1 0 334.504 4.453 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC000735677694 1044854730 /nfs/dbraw/zinc/85/47/30/1044854730.db2.gz SYDRNSIQPQYPJT-QUCCMNQESA-N 1 0 329.484 4.020 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(Br)c1 ZINC000093938721 1044860845 /nfs/dbraw/zinc/86/08/45/1044860845.db2.gz WGPDGAMQKKFZAG-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1F)C[C@H](O)c1ccc(F)cc1 ZINC000735872357 1044871841 /nfs/dbraw/zinc/87/18/41/1044871841.db2.gz BWWKJIGHXZIRMV-FQEVSTJZSA-N 1 0 344.405 4.028 20 30 EIEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000495335151 1044885750 /nfs/dbraw/zinc/88/57/50/1044885750.db2.gz DHTWIACAERJZRM-ZBFHGGJFSA-N 1 0 347.503 4.420 20 30 EIEDRO CC[C@@H](C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1)[NH+](CC)CC ZINC000736003308 1044887859 /nfs/dbraw/zinc/88/78/59/1044887859.db2.gz XOISJDIBYPPEBF-RTWAWAEBSA-N 1 0 349.478 4.401 20 30 EIEDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000895776332 1044888320 /nfs/dbraw/zinc/88/83/20/1044888320.db2.gz CLAMFHOUSTYDAW-YEJXKQKISA-N 1 0 340.429 4.093 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3cnc4ccccc4c3)cc2)CC1 ZINC000922705516 1044894798 /nfs/dbraw/zinc/89/47/98/1044894798.db2.gz LIFFRGUTDNRLTI-UHFFFAOYSA-N 1 0 327.431 4.122 20 30 EIEDRO CC(C)C[C@](C)(C#N)NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168033449 1044896171 /nfs/dbraw/zinc/89/61/71/1044896171.db2.gz KSQIJTCZKVRZGM-DBXWQHBBSA-N 1 0 327.516 4.346 20 30 EIEDRO C[C@]1([NH2+]Cc2cccc(OCCCC#N)c2)CCOc2ccccc21 ZINC000923025699 1044907283 /nfs/dbraw/zinc/90/72/83/1044907283.db2.gz NOVDDACWAYRERG-NRFANRHFSA-N 1 0 336.435 4.157 20 30 EIEDRO Fc1cc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)ccc1OCC(F)(F)F ZINC000922731825 1044915195 /nfs/dbraw/zinc/91/51/95/1044915195.db2.gz QHABGJDHTNUSRH-VHSXEESVSA-N 1 0 345.258 4.055 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000625881645 1044971820 /nfs/dbraw/zinc/97/18/20/1044971820.db2.gz AUCQDIZSSKCEJK-OYRHEFFESA-N 1 0 341.499 4.002 20 30 EIEDRO CC(C)(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000391625817 1044971916 /nfs/dbraw/zinc/97/19/16/1044971916.db2.gz IFELXAWKBJQXOE-KRWDZBQOSA-N 1 0 327.472 4.035 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)cc1OC ZINC000922841323 1044985448 /nfs/dbraw/zinc/98/54/48/1044985448.db2.gz APOQQZRKJVOJSY-MRXNPFEDSA-N 1 0 333.497 4.168 20 30 EIEDRO C=CCN(CCc1ccccc1)Cc1csc(-c2ccccn2)n1 ZINC000303490544 1045012389 /nfs/dbraw/zinc/01/23/89/1045012389.db2.gz SBGNYZMAYCNCCQ-UHFFFAOYSA-N 1 0 335.476 4.436 20 30 EIEDRO CO[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000282539652 1045017472 /nfs/dbraw/zinc/01/74/72/1045017472.db2.gz ZPMVWHWXBOIBAX-UGKGYDQZSA-N 1 0 348.490 4.386 20 30 EIEDRO C[C@H]([NH2+]CCNc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000495395499 1045048913 /nfs/dbraw/zinc/04/89/13/1045048913.db2.gz FKOTZHUKWOGZJE-ZDUSSCGKSA-N 1 0 344.256 4.083 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(Br)c1 ZINC000035231467 1045150386 /nfs/dbraw/zinc/15/03/86/1045150386.db2.gz VBSBVDUJONECGW-ZDUSSCGKSA-N 1 0 345.240 4.202 20 30 EIEDRO CC(C)C[N@@H+](CCC#N)CCCOc1cccc(C(F)(F)F)c1 ZINC000739914855 1045174836 /nfs/dbraw/zinc/17/48/36/1045174836.db2.gz PHZITPUJEHMHJS-UHFFFAOYSA-N 1 0 328.378 4.346 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000542559645 1045193199 /nfs/dbraw/zinc/19/31/99/1045193199.db2.gz VJENGVMZIJSYNH-STQMWFEESA-N 1 0 326.893 4.031 20 30 EIEDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611198448 1045262200 /nfs/dbraw/zinc/26/22/00/1045262200.db2.gz SFKMTWKMAUJYHA-BEFAXECRSA-N 1 0 338.451 4.247 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000611248624 1045266164 /nfs/dbraw/zinc/26/61/64/1045266164.db2.gz NKZYJBLPKCYZGM-UONOGXRCSA-N 1 0 339.395 4.277 20 30 EIEDRO CC(C)C[N@H+](Cc1cn2cccc(F)c2n1)Cc1ccc(C#N)cc1 ZINC000611257860 1045268212 /nfs/dbraw/zinc/26/82/12/1045268212.db2.gz BWROBVDDRRQTOR-UHFFFAOYSA-N 1 0 336.414 4.003 20 30 EIEDRO CC(C)(CCC#N)C[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611264022 1045269182 /nfs/dbraw/zinc/26/91/82/1045269182.db2.gz XZVGSHQLMYVXTN-QWRGUYRKSA-N 1 0 330.316 4.379 20 30 EIEDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000611266411 1045269557 /nfs/dbraw/zinc/26/95/57/1045269557.db2.gz BMOFTSJWFFLGEA-QGZVFWFLSA-N 1 0 325.500 4.232 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611350341 1045288974 /nfs/dbraw/zinc/28/89/74/1045288974.db2.gz JDJOPEYCTZFJSG-QZTJIDSGSA-N 1 0 326.484 4.126 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)c1F ZINC000611371633 1045290069 /nfs/dbraw/zinc/29/00/69/1045290069.db2.gz NNNLZBRIFWOVAQ-UHFFFAOYSA-N 1 0 330.353 4.355 20 30 EIEDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)c3cccc(C#N)c3)cc2)n1 ZINC000611387456 1045295434 /nfs/dbraw/zinc/29/54/34/1045295434.db2.gz ORJLYXDORGYOPJ-QGZVFWFLSA-N 1 0 330.435 4.212 20 30 EIEDRO CC(C)C[C@H](NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000611388304 1045295823 /nfs/dbraw/zinc/29/58/23/1045295823.db2.gz NKMSZJNYTVVSED-UTKZUKDTSA-N 1 0 349.478 4.112 20 30 EIEDRO COc1ccccc1C1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392176 1045296784 /nfs/dbraw/zinc/29/67/84/1045296784.db2.gz ISXAVMULNAZAQD-FQEVSTJZSA-N 1 0 332.447 4.266 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000611377095 1045297007 /nfs/dbraw/zinc/29/70/07/1045297007.db2.gz DMGFZIGOGPMBMW-CYBMUJFWSA-N 1 0 346.377 4.409 20 30 EIEDRO CC(C)(C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000611376613 1045297038 /nfs/dbraw/zinc/29/70/38/1045297038.db2.gz XUGAEZLFNXPQJC-UHFFFAOYSA-N 1 0 333.479 4.094 20 30 EIEDRO CC(C)c1nc(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000611392496 1045297564 /nfs/dbraw/zinc/29/75/64/1045297564.db2.gz YNNDCLDVCNICQR-SFHVURJKSA-N 1 0 325.481 4.348 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000611392999 1045298786 /nfs/dbraw/zinc/29/87/86/1045298786.db2.gz CBECOLFPGWHPTB-HXUWFJFHSA-N 1 0 333.410 4.388 20 30 EIEDRO C[C@H](O)C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611393926 1045298994 /nfs/dbraw/zinc/29/89/94/1045298994.db2.gz STRVBFKPYYJKLL-XUEUYAKLSA-N 1 0 334.463 4.080 20 30 EIEDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393053 1045299520 /nfs/dbraw/zinc/29/95/20/1045299520.db2.gz FEMJPJVFFBQZHC-UXHICEINSA-N 1 0 334.419 4.058 20 30 EIEDRO CC(C)(C)OC(=O)CCCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392976 1045299737 /nfs/dbraw/zinc/29/97/37/1045299737.db2.gz AHHJQELOOMMVIX-IBGZPJMESA-N 1 0 342.483 4.427 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611395238 1045301258 /nfs/dbraw/zinc/30/12/58/1045301258.db2.gz XASUCECETGPREN-OREJSRFESA-N 1 0 338.426 4.441 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000611390502 1045302377 /nfs/dbraw/zinc/30/23/77/1045302377.db2.gz FIJBQMFKWOWKNO-XMSQKQJNSA-N 1 0 331.463 4.052 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611439453 1045307577 /nfs/dbraw/zinc/30/75/77/1045307577.db2.gz OXKAKXHFXOZQIN-DLPLYFIVSA-N 1 0 338.426 4.441 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)c1cccc(C#N)c1 ZINC000611439349 1045308768 /nfs/dbraw/zinc/30/87/68/1045308768.db2.gz YKNWXEPTDJBSBF-OAHLLOKOSA-N 1 0 336.435 4.364 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCC2CC(OC(C)(C)C)C2)cc1 ZINC000762640658 1045319367 /nfs/dbraw/zinc/31/93/67/1045319367.db2.gz GRQCICJUHBRWQO-VXESANQCSA-N 1 0 329.484 4.333 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccc(C)o2)N2CCCC2)cc1 ZINC000237886014 1045397624 /nfs/dbraw/zinc/39/76/24/1045397624.db2.gz ISKJVBXHJXOORS-HXUWFJFHSA-N 1 0 340.467 4.080 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000272341377 1045417074 /nfs/dbraw/zinc/41/70/74/1045417074.db2.gz ZQEOSIZGICRUQG-MRXNPFEDSA-N 1 0 345.446 4.025 20 30 EIEDRO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000609223443 1045437101 /nfs/dbraw/zinc/43/71/01/1045437101.db2.gz RSIJPSFFDVDHHE-MRXNPFEDSA-N 1 0 326.415 4.402 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@@H+]2CCCCC#N)C1 ZINC000495982897 1045453060 /nfs/dbraw/zinc/45/30/60/1045453060.db2.gz PEHBOSHNALAKCV-ZWKOTPCHSA-N 1 0 349.519 4.182 20 30 EIEDRO Cc1ccccc1C[NH+]1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000804356268 1045547510 /nfs/dbraw/zinc/54/75/10/1045547510.db2.gz DIUDOTPCMMIONZ-UHFFFAOYSA-N 1 0 346.887 4.053 20 30 EIEDRO COc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1Cl ZINC000533558509 1045573576 /nfs/dbraw/zinc/57/35/76/1045573576.db2.gz WRRHYRUVWNGLLC-UHFFFAOYSA-N 1 0 343.858 4.273 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3cccc(F)c3)cc2)nc1 ZINC000767682905 1045607556 /nfs/dbraw/zinc/60/75/56/1045607556.db2.gz GDXQUQYVYLVTDW-UHFFFAOYSA-N 1 0 333.366 4.174 20 30 EIEDRO Cc1cc(CNc2ccc(N(C)C3CC[NH+](C)CC3)cc2)ccc1C#N ZINC000767679514 1045608903 /nfs/dbraw/zinc/60/89/03/1045608903.db2.gz ADCNPTSWZVPKNJ-UHFFFAOYSA-N 1 0 348.494 4.009 20 30 EIEDRO CC(C)[C@@H]([NH2+]C1CC(C)(C)N(O)C(C)(C)C1)c1cccc(C#N)c1 ZINC001169981267 1045710487 /nfs/dbraw/zinc/71/04/87/1045710487.db2.gz SCOKWFBZOCMMLT-GOSISDBHSA-N 1 0 329.488 4.256 20 30 EIEDRO C[N@H+](CCCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000067117405 1045738378 /nfs/dbraw/zinc/73/83/78/1045738378.db2.gz FSUNQBPULAQNOQ-ZDUSSCGKSA-N 1 0 325.275 4.222 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000768238547 1045751219 /nfs/dbraw/zinc/75/12/19/1045751219.db2.gz CIEXJHNJVLHTQX-FZDIXFNVSA-N 1 0 347.886 4.426 20 30 EIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCc2ccccc21 ZINC000282132261 1045765905 /nfs/dbraw/zinc/76/59/05/1045765905.db2.gz YWVSBJSZEQRGLA-HXUWFJFHSA-N 1 0 326.484 4.486 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000763231435 1045781295 /nfs/dbraw/zinc/78/12/95/1045781295.db2.gz AMXZGZYJYPNVTA-IRXDYDNUSA-N 1 0 344.867 4.072 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(OC)cc1C ZINC000536642887 1045805787 /nfs/dbraw/zinc/80/57/87/1045805787.db2.gz ZGSQCMPXWFHAMR-UHFFFAOYSA-N 1 0 338.451 4.296 20 30 EIEDRO C=CC[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)C(C)C ZINC000768546948 1045823095 /nfs/dbraw/zinc/82/30/95/1045823095.db2.gz FSHPCZFZFCCKFH-UHFFFAOYSA-N 1 0 332.451 4.331 20 30 EIEDRO CCOc1cccc(/C=N/Cc2cccc(C[NH+](CC)CC)c2)c1O ZINC000915980793 1045853240 /nfs/dbraw/zinc/85/32/40/1045853240.db2.gz CXTGYDAAIPXIPU-PXLXIMEGSA-N 1 0 340.467 4.252 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248414267 1045871929 /nfs/dbraw/zinc/87/19/29/1045871929.db2.gz MLUZKYFVYZSQMP-ZHALLVOQSA-N 1 0 335.451 4.225 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000248414266 1045873237 /nfs/dbraw/zinc/87/32/37/1045873237.db2.gz MLUZKYFVYZSQMP-LMMKCTJWSA-N 1 0 335.451 4.225 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000249254545 1045895541 /nfs/dbraw/zinc/89/55/41/1045895541.db2.gz GHCIPVGRLWFLDB-UKPHBRMFSA-N 1 0 335.373 4.375 20 30 EIEDRO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769234979 1045897124 /nfs/dbraw/zinc/89/71/24/1045897124.db2.gz ZYUIYXIIHRMBOQ-HXUWFJFHSA-N 1 0 333.479 4.334 20 30 EIEDRO C=C(C)C[N@@H+](CCO[C@H]1CCCC[C@H]1C)Cc1cnn(C(C)C)c1 ZINC001170204674 1045925644 /nfs/dbraw/zinc/92/56/44/1045925644.db2.gz FBWBVPDVSDIJNG-QUCCMNQESA-N 1 0 333.520 4.437 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000769339442 1045928752 /nfs/dbraw/zinc/92/87/52/1045928752.db2.gz YYQDQSYGWINFMU-NQIIRXRSSA-N 1 0 334.463 4.432 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc2ccccc2n1C ZINC000614914007 1045938752 /nfs/dbraw/zinc/93/87/52/1045938752.db2.gz BVGDXQPYTQLXCM-HNNXBMFYSA-N 1 0 332.451 4.225 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000067690902 1045983346 /nfs/dbraw/zinc/98/33/46/1045983346.db2.gz NPBVHNLFJLHSIB-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO C=C[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001170326468 1045998893 /nfs/dbraw/zinc/99/88/93/1045998893.db2.gz KEVFLJPAVCVEBM-KBXCAEBGSA-N 1 0 326.396 4.051 20 30 EIEDRO C=CC[C@@H]([NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1)c1ccncc1 ZINC000769518651 1046005291 /nfs/dbraw/zinc/00/52/91/1046005291.db2.gz IJFMFSIXKFWQSC-DNVCBOLYSA-N 1 0 328.431 4.315 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2cc3cc(C[NH3+])ccc3n2)CC1 ZINC001170358877 1046012629 /nfs/dbraw/zinc/01/26/29/1046012629.db2.gz BQGTZUUQCYWBKS-UHFFFAOYSA-N 1 0 330.435 4.072 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2cc(CC[NH3+])c3ncccc32)CC1 ZINC001170367100 1046018688 /nfs/dbraw/zinc/01/86/88/1046018688.db2.gz FLTLVKKTHSVEIS-UHFFFAOYSA-N 1 0 344.462 4.114 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@H]2Cc2ccccn2)CC1 ZINC001170388740 1046026044 /nfs/dbraw/zinc/02/60/44/1046026044.db2.gz BWGNFHVXVHCREG-KOENEWCDSA-N 1 0 345.490 4.493 20 30 EIEDRO CCN(CC)CC[N@H+](CC)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387561 1046026655 /nfs/dbraw/zinc/02/66/55/1046026655.db2.gz XESYPLSWQZTKHU-UHFFFAOYSA-N 1 0 327.516 4.054 20 30 EIEDRO CC(C)[C@@H]1[NH2+]CCc2ncn(C3CCC(C#N)(c4ccccc4)CC3)c21 ZINC001170396361 1046029647 /nfs/dbraw/zinc/02/96/47/1046029647.db2.gz YWAWWPOVHBATGL-JGBTYHIZSA-N 1 0 348.494 4.303 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2(c3ccc(N)cc3)CC2)CC1 ZINC001170377299 1046032423 /nfs/dbraw/zinc/03/24/23/1046032423.db2.gz ZGBRNSOOMRPYMA-UHFFFAOYSA-N 1 0 331.463 4.252 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000154051707 1046083463 /nfs/dbraw/zinc/08/34/63/1046083463.db2.gz KUEGEMSNQDFVQV-ZWKOTPCHSA-N 1 0 345.446 4.296 20 30 EIEDRO C#CCCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000792930273 1046110613 /nfs/dbraw/zinc/11/06/13/1046110613.db2.gz CCTDPPAHHMWDQE-KRWDZBQOSA-N 1 0 325.374 4.176 20 30 EIEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000496952137 1046114847 /nfs/dbraw/zinc/11/48/47/1046114847.db2.gz YJLJXJFYNMODFS-DLBZAZTESA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170423865 1046117912 /nfs/dbraw/zinc/11/79/12/1046117912.db2.gz JQJQXJSPDAUUAC-DNVCBOLYSA-N 1 0 335.407 4.407 20 30 EIEDRO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763399040 1046126946 /nfs/dbraw/zinc/12/69/46/1046126946.db2.gz ZTVDQWAEVGOGMB-UGSOOPFHSA-N 1 0 348.368 4.303 20 30 EIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000763409949 1046135349 /nfs/dbraw/zinc/13/53/49/1046135349.db2.gz IDXVCESLBPUQIA-FDFHNCONSA-N 1 0 334.463 4.168 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000793227281 1046175110 /nfs/dbraw/zinc/17/51/10/1046175110.db2.gz QSNDVBNCYOBAPH-UHFFFAOYSA-N 1 0 336.479 4.102 20 30 EIEDRO CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000770302832 1046175645 /nfs/dbraw/zinc/17/56/45/1046175645.db2.gz CSLGGRWKZWYICW-XLIONFOSSA-N 1 0 349.478 4.208 20 30 EIEDRO CCOc1cccc(/C=N/C[C@H](c2cccs2)[NH+]2CCCC2)c1O ZINC000005293090 1046232381 /nfs/dbraw/zinc/23/23/81/1046232381.db2.gz LAAUVPLWRWLIJB-RBYWHNRPSA-N 1 0 344.480 4.108 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000770685957 1046251942 /nfs/dbraw/zinc/25/19/42/1046251942.db2.gz CWHKLBGQWDJDFX-UHFFFAOYSA-N 1 0 342.389 4.247 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1O ZINC000793575087 1046308433 /nfs/dbraw/zinc/30/84/33/1046308433.db2.gz SLVHUWAWDLISFH-FQEVSTJZSA-N 1 0 338.451 4.107 20 30 EIEDRO C=CCC[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC001127417593 1046323801 /nfs/dbraw/zinc/32/38/01/1046323801.db2.gz YOSTUJIOPHHLDI-NRFANRHFSA-N 1 0 340.511 4.213 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1C(C)C)c1ccccc1 ZINC000271748367 1046382899 /nfs/dbraw/zinc/38/28/99/1046382899.db2.gz WYVKYESZPJOXHN-FQEVSTJZSA-N 1 0 334.463 4.411 20 30 EIEDRO N#Cc1sc(NC2CC[NH+](CC3CCCCC3)CC2)nc1Cl ZINC000804387782 1046424241 /nfs/dbraw/zinc/42/42/41/1046424241.db2.gz GDGLDAIYWOWAIV-UHFFFAOYSA-N 1 0 338.908 4.125 20 30 EIEDRO C[NH+]1CCN(c2ccc(/C=C/C(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000771522234 1046435293 /nfs/dbraw/zinc/43/52/93/1046435293.db2.gz ZYICGMAMSLEUFW-QPJJXVBHSA-N 1 0 346.883 4.049 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000497232406 1046448307 /nfs/dbraw/zinc/44/83/07/1046448307.db2.gz LTODKWCFEDTQBB-OKZBNKHCSA-N 1 0 349.519 4.228 20 30 EIEDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000533820655 1046513961 /nfs/dbraw/zinc/51/39/61/1046513961.db2.gz VWPMFPQIWWSAJX-QGZVFWFLSA-N 1 0 331.341 4.176 20 30 EIEDRO C[NH+]1C(C)(C)CC(Nc2ccc(C#N)c(C(F)(F)F)n2)CC1(C)C ZINC001170452561 1046524380 /nfs/dbraw/zinc/52/43/80/1046524380.db2.gz CROQSSZSUZPQOC-UHFFFAOYSA-N 1 0 340.393 4.035 20 30 EIEDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000497269483 1046540954 /nfs/dbraw/zinc/54/09/54/1046540954.db2.gz PISUNFVGGHYLBH-KGLIPLIRSA-N 1 0 349.450 4.041 20 30 EIEDRO N#Cc1sc(Nc2cccc(CC[NH+]3CCCC3)c2)nc1Cl ZINC000804589163 1046627771 /nfs/dbraw/zinc/62/77/71/1046627771.db2.gz GJNKHLRRSUSESL-UHFFFAOYSA-N 1 0 332.860 4.050 20 30 EIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cc1 ZINC000536684487 1046669406 /nfs/dbraw/zinc/66/94/06/1046669406.db2.gz GLPZMEUUKABGKZ-FQEVSTJZSA-N 1 0 330.435 4.242 20 30 EIEDRO N#C[C@@H]1CCC[C@H]1[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000459456611 1046692367 /nfs/dbraw/zinc/69/23/67/1046692367.db2.gz CDSJINICXSBTSO-DZGCQCFKSA-N 1 0 326.362 4.146 20 30 EIEDRO N#C[C@H]1CCC[C@H]1[NH2+]CCSc1ccnc2cc(Cl)ccc21 ZINC000459457362 1046695887 /nfs/dbraw/zinc/69/58/87/1046695887.db2.gz GTAXRVYMKSCFCY-IUODEOHRSA-N 1 0 331.872 4.262 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cccn2C)cc1OC ZINC000536710105 1046722493 /nfs/dbraw/zinc/72/24/93/1046722493.db2.gz JSJSKQSMUGNKIA-IBGZPJMESA-N 1 0 340.467 4.326 20 30 EIEDRO C=CC[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)C1CC1 ZINC000536744763 1046742455 /nfs/dbraw/zinc/74/24/55/1046742455.db2.gz PKCMSXDNTYERAI-UHFFFAOYSA-N 1 0 344.256 4.057 20 30 EIEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000536745471 1046744579 /nfs/dbraw/zinc/74/45/79/1046744579.db2.gz WINBVHZGMIONAB-BZUAXINKSA-N 1 0 345.512 4.140 20 30 EIEDRO C=CCC[N@@H+](C)Cn1nc(C)nc1-c1ccc(Cl)c(Cl)c1 ZINC000786101599 1046809067 /nfs/dbraw/zinc/80/90/67/1046809067.db2.gz NPIPBEVNPDJNNM-UHFFFAOYSA-N 1 0 325.243 4.026 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000536832495 1046823986 /nfs/dbraw/zinc/82/39/86/1046823986.db2.gz JITHIZDNDIMGHR-ZCNNSNEGSA-N 1 0 326.488 4.289 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)cc1Cl ZINC000746576142 1046825108 /nfs/dbraw/zinc/82/51/08/1046825108.db2.gz LMDPCKZIIIOTJG-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC(C)(C)CC#N ZINC000459683866 1046841844 /nfs/dbraw/zinc/84/18/44/1046841844.db2.gz BJQFKTIRNDKSKU-LLVKDONJSA-N 1 0 327.241 4.049 20 30 EIEDRO CC(C)(CC#N)C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000459696417 1046860533 /nfs/dbraw/zinc/86/05/33/1046860533.db2.gz PLZDAUTWWZWDRJ-UHFFFAOYSA-N 1 0 325.239 4.299 20 30 EIEDRO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC(C)(C)CC#N ZINC000459728805 1046865766 /nfs/dbraw/zinc/86/57/66/1046865766.db2.gz IUOKZOKAAIKBIB-UHFFFAOYSA-N 1 0 338.499 4.258 20 30 EIEDRO Cc1cccc(OCCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1C ZINC000787003595 1046890084 /nfs/dbraw/zinc/89/00/84/1046890084.db2.gz ZDLNDLVZUCLKJP-GOSISDBHSA-N 1 0 338.451 4.326 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cnn(-c2ccccc2)c1 ZINC000787029447 1046895346 /nfs/dbraw/zinc/89/53/46/1046895346.db2.gz XEXIEDOHPMRGPH-BTYIYWSLSA-N 1 0 328.419 4.082 20 30 EIEDRO C=CCCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000537037584 1046907671 /nfs/dbraw/zinc/90/76/71/1046907671.db2.gz OTNLKZHWKKDWTI-MRXNPFEDSA-N 1 0 334.891 4.233 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000537097204 1046927784 /nfs/dbraw/zinc/92/77/84/1046927784.db2.gz DKZXDKMJNPCNHL-DLBZAZTESA-N 1 0 325.452 4.197 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cccc(F)c1 ZINC000537113398 1046965614 /nfs/dbraw/zinc/96/56/14/1046965614.db2.gz NGUIOJYWTGQKFU-UHFFFAOYSA-N 1 0 334.341 4.324 20 30 EIEDRO COc1ccccc1[C@@H](C/N=C/c1ccccc1O)[NH+]1CCCCC1 ZINC000917559292 1046972478 /nfs/dbraw/zinc/97/24/78/1046972478.db2.gz KEXRDBODXVLNPR-QTCOBDOFSA-N 1 0 338.451 4.047 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000917557127 1046992385 /nfs/dbraw/zinc/99/23/85/1046992385.db2.gz YMJDJINJWQTXQT-UUYOSTAYSA-N 1 0 346.833 4.268 20 30 EIEDRO CC(C)CN(CCC#N)Cc1c(-c2ccccc2)nc2sccn12 ZINC000746693074 1047028667 /nfs/dbraw/zinc/02/86/67/1047028667.db2.gz BJAZKVOBVVNSDE-UHFFFAOYSA-N 1 0 338.480 4.434 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3CF)CC2)c(F)c1 ZINC001170075556 1047029994 /nfs/dbraw/zinc/02/99/94/1047029994.db2.gz SHTUBXVWEJWZKE-UHFFFAOYSA-N 1 0 342.389 4.210 20 30 EIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)CCCCCC#N ZINC000805947275 1047059760 /nfs/dbraw/zinc/05/97/60/1047059760.db2.gz LFGRGCOVZSYUJT-LJQANCHMSA-N 1 0 342.483 4.304 20 30 EIEDRO COc1ccc(C[N@H+](CC2(C#N)CC2)[C@H]2CCCC[C@@H]2C)cc1OC ZINC000537290062 1047069880 /nfs/dbraw/zinc/06/98/80/1047069880.db2.gz IFALWTFMKBWKSF-WMZOPIPTSA-N 1 0 342.483 4.388 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(C)C ZINC000537290412 1047073356 /nfs/dbraw/zinc/07/33/56/1047073356.db2.gz OLOUHGHHEQRMAR-MRXNPFEDSA-N 1 0 347.528 4.241 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)o1 ZINC000537293597 1047075136 /nfs/dbraw/zinc/07/51/36/1047075136.db2.gz XVNKLALCJBIIHS-UHFFFAOYSA-N 1 0 344.414 4.433 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccccc1OC(F)(F)F)c1ccc(C#N)cc1 ZINC000537308875 1047093773 /nfs/dbraw/zinc/09/37/73/1047093773.db2.gz OTWUZAZVPFCTHD-CYBMUJFWSA-N 1 0 334.341 4.350 20 30 EIEDRO C#CCC1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCCCC1 ZINC000788219053 1047134346 /nfs/dbraw/zinc/13/43/46/1047134346.db2.gz ZSDJEBTUKXJKAS-VQTJNVASSA-N 1 0 344.543 4.073 20 30 EIEDRO CC(C)(C#N)CC[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000537363996 1047150134 /nfs/dbraw/zinc/15/01/34/1047150134.db2.gz PGBOHOSWVLJCNC-KRWDZBQOSA-N 1 0 345.874 4.028 20 30 EIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCc2nc(Cl)ccc21)C(C)C ZINC000806131033 1047155529 /nfs/dbraw/zinc/15/55/29/1047155529.db2.gz FOIKMFXRONMIFW-WMZOPIPTSA-N 1 0 333.907 4.011 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)cc1C#N ZINC000746743179 1047162860 /nfs/dbraw/zinc/16/28/60/1047162860.db2.gz WYZWISKYWDVKMB-UHFFFAOYSA-N 1 0 346.377 4.075 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(N2CCOCC2)cc1Cl ZINC000806178654 1047202232 /nfs/dbraw/zinc/20/22/32/1047202232.db2.gz WGLZQXLHZUZICV-OAHLLOKOSA-N 1 0 349.906 4.157 20 30 EIEDRO C[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000537409134 1047202509 /nfs/dbraw/zinc/20/25/09/1047202509.db2.gz ZVZSCPATTSHYAE-ZDUSSCGKSA-N 1 0 332.806 4.218 20 30 EIEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1SC(C)(C)C ZINC000788595419 1047244454 /nfs/dbraw/zinc/24/44/54/1047244454.db2.gz TUNCQKGJYHXEHQ-HNNXBMFYSA-N 1 0 331.529 4.216 20 30 EIEDRO C=CCN(C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)C(C)C ZINC000918064672 1047310449 /nfs/dbraw/zinc/31/04/49/1047310449.db2.gz ZVPLEQRAVPVTCF-UHFFFAOYSA-N 1 0 343.515 4.025 20 30 EIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000325046496 1047405240 /nfs/dbraw/zinc/40/52/40/1047405240.db2.gz RJAQJLPDCLOAPN-AWEZNQCLSA-N 1 0 341.842 4.233 20 30 EIEDRO C=CCCC1(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000476204399 1047417237 /nfs/dbraw/zinc/41/72/37/1047417237.db2.gz OUZPIKFMBPPQIA-QGZVFWFLSA-N 1 0 342.483 4.092 20 30 EIEDRO CCOc1cccc(/C=N/C[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1O ZINC000746817487 1047427925 /nfs/dbraw/zinc/42/79/25/1047427925.db2.gz ZUEBDTBCLPECJE-RHLNUJDMSA-N 1 0 346.858 4.166 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(-n2cccn2)c(F)c1 ZINC000556242889 1047611461 /nfs/dbraw/zinc/61/14/61/1047611461.db2.gz XIRKJJVSWDAJAG-VBKZILBWSA-N 1 0 346.409 4.221 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000154822072 1047660628 /nfs/dbraw/zinc/66/06/28/1047660628.db2.gz QHWVABHNEARNAM-ZWKOTPCHSA-N 1 0 345.446 4.296 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCOc2cccc3ccccc32)cc1 ZINC000237487572 1047663992 /nfs/dbraw/zinc/66/39/92/1047663992.db2.gz OVLPEYBUZUVFGP-KRWDZBQOSA-N 1 0 346.430 4.299 20 30 EIEDRO Cc1ccc2c(CC[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)c[nH]c2c1 ZINC000237487869 1047666545 /nfs/dbraw/zinc/66/65/45/1047666545.db2.gz QWAQXBMPLBTLJS-INIZCTEOSA-N 1 0 333.435 4.100 20 30 EIEDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000130596459 1047747931 /nfs/dbraw/zinc/74/79/31/1047747931.db2.gz SWXSJYPAYNZMMS-QGZVFWFLSA-N 1 0 347.384 4.234 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)nc1 ZINC000556574798 1047828232 /nfs/dbraw/zinc/82/82/32/1047828232.db2.gz SDIWPGAMRBYTEX-ZWKOTPCHSA-N 1 0 345.368 4.398 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCCC[C@@H]3Cc3ccccc3)n2c1 ZINC000556594690 1047833643 /nfs/dbraw/zinc/83/36/43/1047833643.db2.gz GLTVDPKDMKMPPS-CTNGQTDRSA-N 1 0 344.462 4.097 20 30 EIEDRO CC(=O)n1ccc2cc(C[C@H](C)[NH2+][C@H]3C[C@@H]4[C@H](C3)C4(C)C)cc(C#N)c21 ZINC001170728553 1047864012 /nfs/dbraw/zinc/86/40/12/1047864012.db2.gz VKNMPZREHREZDU-JZOCTASASA-N 1 0 349.478 4.128 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000824424091 1047867924 /nfs/dbraw/zinc/86/79/24/1047867924.db2.gz XKPILNRHZFJYPQ-IRXDYDNUSA-N 1 0 329.488 4.392 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)ccc1OC ZINC000747915828 1047877241 /nfs/dbraw/zinc/87/72/41/1047877241.db2.gz NUCDHHDYJXIZSH-MXSMSXNCSA-N 1 0 330.472 4.290 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000814183278 1047881179 /nfs/dbraw/zinc/88/11/79/1047881179.db2.gz IFLPOBSKEHQDKB-VFAFIFLJSA-N 1 0 346.858 4.044 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)c(O)c(OC)c1 ZINC000814227113 1047897661 /nfs/dbraw/zinc/89/76/61/1047897661.db2.gz CUNVHOAFOLTGMX-HXUWFJFHSA-N 1 0 338.451 4.107 20 30 EIEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1(Cl)Cl ZINC000824773630 1047926731 /nfs/dbraw/zinc/92/67/31/1047926731.db2.gz MNKKSFVRESTBDO-LBPRGKRZSA-N 1 0 337.172 4.251 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000814304000 1047968472 /nfs/dbraw/zinc/96/84/72/1047968472.db2.gz FMYMDTYOUFCCDC-JOCHJYFZSA-N 1 0 349.478 4.048 20 30 EIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)ccc1C#N ZINC000814302666 1047968947 /nfs/dbraw/zinc/96/89/47/1047968947.db2.gz HSHVNPSIYCDODW-MRXNPFEDSA-N 1 0 349.434 4.064 20 30 EIEDRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001171078636 1048057521 /nfs/dbraw/zinc/05/75/21/1048057521.db2.gz NOCIPTIEKGQSPV-CYBMUJFWSA-N 1 0 345.512 4.090 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@](C)(Cc2ccccc2)C2CC2)cc1 ZINC000825321881 1048067372 /nfs/dbraw/zinc/06/73/72/1048067372.db2.gz PXQMOAVODXDBMN-VGOFRKELSA-N 1 0 334.463 4.478 20 30 EIEDRO C=CCC[C@@H](NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868741 1048083898 /nfs/dbraw/zinc/08/38/98/1048083898.db2.gz BUKMYIMUGZZKQG-NHCUHLMSSA-N 1 0 338.495 4.441 20 30 EIEDRO CCS[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000556872175 1048092637 /nfs/dbraw/zinc/09/26/37/1048092637.db2.gz ORFUHRBYQAKHEX-QUCCMNQESA-N 1 0 343.540 4.181 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccccc1 ZINC000814660746 1048107023 /nfs/dbraw/zinc/10/70/23/1048107023.db2.gz ZSFHZFBQQILGMB-OALUTQOASA-N 1 0 328.843 4.398 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000808769107 1048114344 /nfs/dbraw/zinc/11/43/44/1048114344.db2.gz SVPIQLWQPBHLRG-SPLOXXLWSA-N 1 0 334.394 4.235 20 30 EIEDRO CC(C)c1c(Cl)ncnc1N=NC(C)c1ccc(C[NH+](C)C)cc1 ZINC000814922794 1048237212 /nfs/dbraw/zinc/23/72/12/1048237212.db2.gz XFICWJZWEDGGOT-UHFFFAOYSA-N 1 0 345.878 4.151 20 30 EIEDRO Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000844421901 1048320872 /nfs/dbraw/zinc/32/08/72/1048320872.db2.gz YOZQLILBXVCWNM-LJQANCHMSA-N 1 0 334.419 4.087 20 30 EIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCOCCC#N ZINC000815089481 1048326897 /nfs/dbraw/zinc/32/68/97/1048326897.db2.gz PKLNCVKAVOLUME-AWEZNQCLSA-N 1 0 329.469 4.008 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)c1cc2ccccc2o1)c1ccccc1 ZINC000815123997 1048335402 /nfs/dbraw/zinc/33/54/02/1048335402.db2.gz SYPZAJRCXVDVPB-RTBURBONSA-N 1 0 334.419 4.491 20 30 EIEDRO C=CCC(C)(C)C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001144075086 1048407284 /nfs/dbraw/zinc/40/72/84/1048407284.db2.gz DZAGYXVCNBZTMS-QAQDUYKDSA-N 1 0 332.463 4.027 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000809606062 1048413700 /nfs/dbraw/zinc/41/37/00/1048413700.db2.gz TUKLEUNMNOIGCW-SFHVURJKSA-N 1 0 342.442 4.493 20 30 EIEDRO CCC[N@H+](Cc1cccc(Br)c1)Cc1cncc(C#N)c1 ZINC001144083730 1048413838 /nfs/dbraw/zinc/41/38/38/1048413838.db2.gz QZMQWHPKGFTRGO-UHFFFAOYSA-N 1 0 344.256 4.128 20 30 EIEDRO C=CC[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)c1ccncc1 ZINC000809620254 1048424876 /nfs/dbraw/zinc/42/48/76/1048424876.db2.gz GGRZQBOXKXUHPN-KRWDZBQOSA-N 1 0 347.503 4.324 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)cc1 ZINC000809603045 1048436543 /nfs/dbraw/zinc/43/65/43/1048436543.db2.gz HYTHTRQWMMXWEV-ZDUSSCGKSA-N 1 0 344.252 4.290 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(c3nc4cccc(C)c4o3)CC2)cc1 ZINC000809648086 1048454413 /nfs/dbraw/zinc/45/44/13/1048454413.db2.gz CQRSWPDSBXSLEX-UHFFFAOYSA-N 1 0 330.431 4.497 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(OCC)cc1O ZINC000809705246 1048488810 /nfs/dbraw/zinc/48/88/10/1048488810.db2.gz PRFYQWMNTOOOMB-UHFFFAOYSA-N 1 0 343.471 4.147 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(Cl)cc1C)C(C)C ZINC001144196724 1048489125 /nfs/dbraw/zinc/48/91/25/1048489125.db2.gz AJXSLYLHQJKIEY-GOSISDBHSA-N 1 0 334.891 4.077 20 30 EIEDRO C#CCCC[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000815584480 1048523628 /nfs/dbraw/zinc/52/36/28/1048523628.db2.gz FOKKRCYWAKLUSB-INIZCTEOSA-N 1 0 336.204 4.274 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)C(C)(C)C ZINC000809781409 1048530769 /nfs/dbraw/zinc/53/07/69/1048530769.db2.gz QSQVYBHUTHQLNV-HXUWFJFHSA-N 1 0 344.462 4.072 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)cc1 ZINC000809790083 1048534248 /nfs/dbraw/zinc/53/42/48/1048534248.db2.gz XBPRKYAMVDRKIL-UHFFFAOYSA-N 1 0 349.478 4.210 20 30 EIEDRO N#CCCC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccccc1 ZINC000815635678 1048564668 /nfs/dbraw/zinc/56/46/68/1048564668.db2.gz HPEINKQPSYFALZ-MHORFTMASA-N 1 0 332.538 4.391 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCc2cccc(C(F)(F)F)n2)cc1 ZINC000815636922 1048565552 /nfs/dbraw/zinc/56/55/52/1048565552.db2.gz GDVQAPTYMOLJKQ-CQSZACIVSA-N 1 0 348.368 4.006 20 30 EIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815636362 1048565902 /nfs/dbraw/zinc/56/59/02/1048565902.db2.gz TYQFOECZRIAVBN-KDOFPFPSSA-N 1 0 338.411 4.263 20 30 EIEDRO N#CCCC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccccc1 ZINC000815635677 1048565953 /nfs/dbraw/zinc/56/59/53/1048565953.db2.gz HPEINKQPSYFALZ-BSDSXHPESA-N 1 0 332.538 4.391 20 30 EIEDRO CCOc1ccc(O)c(/C=N/[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000920175084 1048573037 /nfs/dbraw/zinc/57/30/37/1048573037.db2.gz TYSXVMBWAFKGTA-INJKSQGZSA-N 1 0 338.451 4.045 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000815650668 1048576017 /nfs/dbraw/zinc/57/60/17/1048576017.db2.gz YIOIOGOKHIGUJN-CYBMUJFWSA-N 1 0 349.352 4.290 20 30 EIEDRO CC[NH+](CC)CC[C@H](NC(=O)CC#Cc1ccccc1)c1ccccc1 ZINC001135161583 1048585157 /nfs/dbraw/zinc/58/51/57/1048585157.db2.gz JAWBTPUOZVOPEV-QFIPXVFZSA-N 1 0 348.490 4.018 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001170593680 1048594837 /nfs/dbraw/zinc/59/48/37/1048594837.db2.gz NJHFHPLNJIYXIA-LIRRHRJNSA-N 1 0 326.827 4.426 20 30 EIEDRO C=CCc1cc(C)cnc1NCc1cc(Br)ccc1O ZINC001171174098 1048634205 /nfs/dbraw/zinc/63/42/05/1048634205.db2.gz HUQJQJVENOQZBS-UHFFFAOYSA-N 1 0 333.229 4.199 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000810128157 1048640079 /nfs/dbraw/zinc/64/00/79/1048640079.db2.gz DFJZEQDURCIDCL-IAGOWNOFSA-N 1 0 347.462 4.487 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)Cc1cncc(Br)c1 ZINC001206119441 1048662590 /nfs/dbraw/zinc/66/25/90/1048662590.db2.gz NTCVRSSBWXNTFP-UHFFFAOYSA-N 1 0 331.257 4.422 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Br)cc1 ZINC001171181191 1048670709 /nfs/dbraw/zinc/67/07/09/1048670709.db2.gz HOPLWPIKTJFDRX-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C(F)(F)F)cc1F ZINC001171184373 1048676613 /nfs/dbraw/zinc/67/66/13/1048676613.db2.gz MCORVRNPTXUUCH-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO CC1(C)COc2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc21 ZINC001171185415 1048682204 /nfs/dbraw/zinc/68/22/04/1048682204.db2.gz JJLSYSNUEKFXOX-UHFFFAOYSA-N 1 0 332.403 4.252 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000810217723 1048686137 /nfs/dbraw/zinc/68/61/37/1048686137.db2.gz AVVRCVVWQRQRHB-QZTJIDSGSA-N 1 0 347.245 4.176 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccc3ccccc3c1)CC2 ZINC000810216840 1048686205 /nfs/dbraw/zinc/68/62/05/1048686205.db2.gz PTIULPQHUHIQCA-YADHBBJMSA-N 1 0 328.415 4.022 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)CC2 ZINC000810218089 1048686578 /nfs/dbraw/zinc/68/65/78/1048686578.db2.gz OSXBEUZUMXMLIC-ROUUACIJSA-N 1 0 347.245 4.176 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(=O)c1ccc(Cl)c(Cl)c1 ZINC001171190275 1048692966 /nfs/dbraw/zinc/69/29/66/1048692966.db2.gz RFECAUXHVLHLJG-LBPRGKRZSA-N 1 0 347.245 4.269 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001171189993 1048693033 /nfs/dbraw/zinc/69/30/33/1048693033.db2.gz OJGXWAMQRCKLEZ-KPZWWZAWSA-N 1 0 349.261 4.119 20 30 EIEDRO C#Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@@H](OCC4CC4)[C@H]3C2)cc1 ZINC001144572467 1048731997 /nfs/dbraw/zinc/73/19/97/1048731997.db2.gz ZMLVJQYMCOWROH-KMDXXIMOSA-N 1 0 343.470 4.365 20 30 EIEDRO C#Cc1ccc(CN2CCO[C@@](C)(c3ccc(Cl)cc3)C2)cc1 ZINC001144576580 1048736177 /nfs/dbraw/zinc/73/61/77/1048736177.db2.gz NOPARYCRTRKYTQ-HXUWFJFHSA-N 1 0 325.839 4.069 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC001135483775 1048745832 /nfs/dbraw/zinc/74/58/32/1048745832.db2.gz LVGYTEBJEVBDOV-MCIONIFRSA-N 1 0 340.920 4.177 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ncccc1Cl)C1CC1 ZINC001171201105 1048751022 /nfs/dbraw/zinc/75/10/22/1048751022.db2.gz HWVUKGUROLNTMF-UGSOOPFHSA-N 1 0 325.843 4.279 20 30 EIEDRO N#CC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCCC1 ZINC000846009982 1048785297 /nfs/dbraw/zinc/78/52/97/1048785297.db2.gz GOUYKPACOIYNIF-UHFFFAOYSA-N 1 0 336.435 4.145 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC(C(F)(F)F)C(F)(F)F ZINC001171204544 1048787551 /nfs/dbraw/zinc/78/75/51/1048787551.db2.gz YXRQQXVEKZSTFQ-JTQLQIEISA-N 1 0 338.295 4.210 20 30 EIEDRO CC[N@H+](CCCNCc1ccc(O[C@@H](C)C#N)cc1)C1CCCCC1 ZINC000846021888 1048790106 /nfs/dbraw/zinc/79/01/06/1048790106.db2.gz DBTFFKHMWQCEPL-SFHVURJKSA-N 1 0 343.515 4.112 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cc(Cl)cs3)CC2)c1 ZINC000846107840 1048812779 /nfs/dbraw/zinc/81/27/79/1048812779.db2.gz SOLPMGXDBKYNSS-UHFFFAOYSA-N 1 0 345.899 4.027 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@@H](c2ccc(CC)cc2)[NH+](C)C)c1 ZINC000920944775 1048818674 /nfs/dbraw/zinc/81/86/74/1048818674.db2.gz KFDZLZLLNNUXDP-ALFKQNEGSA-N 1 0 340.467 4.075 20 30 EIEDRO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)cc1 ZINC001144721361 1048832008 /nfs/dbraw/zinc/83/20/08/1048832008.db2.gz IYMADNMMVWPBQT-HXUWFJFHSA-N 1 0 331.419 4.083 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000218034613 1048836649 /nfs/dbraw/zinc/83/66/49/1048836649.db2.gz ZSEZFNQRSCHRJM-YOEHRIQHSA-N 1 0 347.890 4.112 20 30 EIEDRO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccc4scnc4c3)C2)cc1 ZINC001144744110 1048848533 /nfs/dbraw/zinc/84/85/33/1048848533.db2.gz KKXUQNFXNXJVKG-SFHVURJKSA-N 1 0 349.459 4.211 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3cccc(Br)c3)CC2)c1 ZINC000236777929 1048850641 /nfs/dbraw/zinc/85/06/41/1048850641.db2.gz YNRJJJPBPZLADI-UHFFFAOYSA-N 1 0 347.281 4.204 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001171220535 1048851904 /nfs/dbraw/zinc/85/19/04/1048851904.db2.gz BJQCEHRZRHUOQD-SFHVURJKSA-N 1 0 333.479 4.221 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001171220458 1048852164 /nfs/dbraw/zinc/85/21/64/1048852164.db2.gz ADYPXIUUEVKDEG-KRWDZBQOSA-N 1 0 329.447 4.241 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC001171221554 1048853857 /nfs/dbraw/zinc/85/38/57/1048853857.db2.gz OXLYLAPFYFTGNX-QGZVFWFLSA-N 1 0 332.447 4.011 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001171220789 1048855181 /nfs/dbraw/zinc/85/51/81/1048855181.db2.gz BYPHXLYDPLIUJM-YZZKKUAISA-N 1 0 348.490 4.495 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001171220711 1048855623 /nfs/dbraw/zinc/85/56/23/1048855623.db2.gz BCIGMBWZIFCFJL-GOSISDBHSA-N 1 0 334.463 4.170 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC2(CC(OCc3ccccc3)C2)C1 ZINC001171229464 1048869563 /nfs/dbraw/zinc/86/95/63/1048869563.db2.gz NQTLWVCNDAMNLD-SFHVURJKSA-N 1 0 346.474 4.170 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC(=O)c3ccccc32)CC1 ZINC001171231508 1048871075 /nfs/dbraw/zinc/87/10/75/1048871075.db2.gz KIAGMURFKRTWMO-QGZVFWFLSA-N 1 0 344.458 4.109 20 30 EIEDRO O[C@H](C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1)c1ccco1 ZINC000747659334 1048899223 /nfs/dbraw/zinc/89/92/23/1048899223.db2.gz YZXOKXQQBWFTLX-OAQYLSRUSA-N 1 0 349.405 4.006 20 30 EIEDRO C=CCCC[N@@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000076801917 1048943407 /nfs/dbraw/zinc/94/34/07/1048943407.db2.gz ZDEFBLJKEVFYCY-CHWSQXEVSA-N 1 0 345.512 4.068 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc2c(c1)CCCO2 ZINC000772960691 1048998879 /nfs/dbraw/zinc/99/88/79/1048998879.db2.gz WRNGMHLSLAAILW-FQEVSTJZSA-N 1 0 336.435 4.155 20 30 EIEDRO CC(C)Oc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001171276739 1049019472 /nfs/dbraw/zinc/01/94/72/1049019472.db2.gz GXKDJISVYRYDKY-UHFFFAOYSA-N 1 0 349.478 4.444 20 30 EIEDRO CCc1cc(OC)ccc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277258 1049022063 /nfs/dbraw/zinc/02/20/63/1049022063.db2.gz PBUZVUZRIMRMFX-UHFFFAOYSA-N 1 0 349.478 4.228 20 30 EIEDRO C#Cc1ccc(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc1 ZINC001146799253 1049059921 /nfs/dbraw/zinc/05/99/21/1049059921.db2.gz JWMXKYVQAIKWIT-SFHVURJKSA-N 1 0 346.474 4.061 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000811485331 1049078832 /nfs/dbraw/zinc/07/88/32/1049078832.db2.gz FHLIMCWFOWFKKO-GOSISDBHSA-N 1 0 328.337 4.431 20 30 EIEDRO CC(C)(C#N)c1ccccc1CN1CCO[C@@H](c2ccccc2F)C1 ZINC000135180916 1049082704 /nfs/dbraw/zinc/08/27/04/1049082704.db2.gz VEUZOCXWMDXBMO-HXUWFJFHSA-N 1 0 338.426 4.200 20 30 EIEDRO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135251216 1049093666 /nfs/dbraw/zinc/09/36/66/1049093666.db2.gz DJNCKIJJILDONK-NRFANRHFSA-N 1 0 334.463 4.370 20 30 EIEDRO Cc1ccc([C@H](O)[C@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000811505334 1049116113 /nfs/dbraw/zinc/11/61/13/1049116113.db2.gz AXUNAMSASRQSJD-SCLBCKFNSA-N 1 0 348.368 4.097 20 30 EIEDRO N#Cc1ccc(CCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC001132952217 1049212371 /nfs/dbraw/zinc/21/23/71/1049212371.db2.gz HDQSLGAUSJLQCA-UHFFFAOYSA-N 1 0 347.462 4.115 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000819065308 1049257026 /nfs/dbraw/zinc/25/70/26/1049257026.db2.gz HMDVLEZYHQYWPJ-IAGOWNOFSA-N 1 0 347.245 4.176 20 30 EIEDRO C=CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccncc1 ZINC000819075063 1049258427 /nfs/dbraw/zinc/25/84/27/1049258427.db2.gz ZRXUJZWPDHHCFY-DLBZAZTESA-N 1 0 336.357 4.041 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(SC)c(OC)c1 ZINC000772986735 1049265112 /nfs/dbraw/zinc/26/51/12/1049265112.db2.gz CZPXGKSHLALMPB-HNNXBMFYSA-N 1 0 341.476 4.280 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+]CCCc2ccc(Cl)cc2Cl)cc1 ZINC000819126509 1049270963 /nfs/dbraw/zinc/27/09/63/1049270963.db2.gz LIQFPKNLTYVCBA-SFHVURJKSA-N 1 0 349.261 4.121 20 30 EIEDRO N#CCC[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819184212 1049275187 /nfs/dbraw/zinc/27/51/87/1049275187.db2.gz WVHQRPYMZHFRPL-ZWKOTPCHSA-N 1 0 348.368 4.373 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819271131 1049296057 /nfs/dbraw/zinc/29/60/57/1049296057.db2.gz OFIZACLXCSMTST-QZTJIDSGSA-N 1 0 347.245 4.176 20 30 EIEDRO Cc1ccc(F)c(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000609740939 1049296770 /nfs/dbraw/zinc/29/67/70/1049296770.db2.gz DDHCJCNAUXRAPX-UHFFFAOYSA-N 1 0 338.426 4.486 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2C(C)C)c1 ZINC000609767209 1049310307 /nfs/dbraw/zinc/31/03/07/1049310307.db2.gz TTYVZJOSMRQCEY-HXUWFJFHSA-N 1 0 341.499 4.061 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000819368204 1049310364 /nfs/dbraw/zinc/31/03/64/1049310364.db2.gz OCGRFZFGOGTZGF-YZGWKJHDSA-N 1 0 340.854 4.171 20 30 EIEDRO C=CCOCC[NH2+]C1(c2cccc(Br)c2)CCCCC1 ZINC001171332618 1049325935 /nfs/dbraw/zinc/32/59/35/1049325935.db2.gz RIBCHQMPKRZRGN-UHFFFAOYSA-N 1 0 338.289 4.401 20 30 EIEDRO C#CCSCC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000773010584 1049523336 /nfs/dbraw/zinc/52/33/36/1049523336.db2.gz NZRURDIBHRPZBZ-LBPRGKRZSA-N 1 0 334.485 4.275 20 30 EIEDRO C#CCCCOc1cccnc1NCc1ccccc1C[NH+]1CCCC1 ZINC000820610627 1049527498 /nfs/dbraw/zinc/52/74/98/1049527498.db2.gz OVOSITBPNVYDQV-UHFFFAOYSA-N 1 0 349.478 4.082 20 30 EIEDRO C#CCCCC[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000773037740 1049542661 /nfs/dbraw/zinc/54/26/61/1049542661.db2.gz QQKTXKZWILTKHB-GOSISDBHSA-N 1 0 347.462 4.367 20 30 EIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000610133949 1049556650 /nfs/dbraw/zinc/55/66/50/1049556650.db2.gz XWKKSXRLQFMHFM-HXUWFJFHSA-N 1 0 341.499 4.224 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)cc1C#N ZINC000773074633 1049564205 /nfs/dbraw/zinc/56/42/05/1049564205.db2.gz GWYHCIAPWKZECV-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO CC(C)c1nccnc1N=NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000773071965 1049566557 /nfs/dbraw/zinc/56/65/57/1049566557.db2.gz FJCMJYPSCAWQGM-RDJZCZTQSA-N 1 0 329.492 4.042 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc1C#N ZINC000773082928 1049569732 /nfs/dbraw/zinc/56/97/32/1049569732.db2.gz IFPNDNJVNZAVTM-HXUWFJFHSA-N 1 0 348.446 4.059 20 30 EIEDRO C=CCOc1cccc(NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)c1 ZINC001136388749 1049572373 /nfs/dbraw/zinc/57/23/73/1049572373.db2.gz BJNMEAGBKJBAQB-UHFFFAOYSA-N 1 0 335.407 4.108 20 30 EIEDRO C[C@H](C[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000773086154 1049573836 /nfs/dbraw/zinc/57/38/36/1049573836.db2.gz ZJHZQYLVWSMXEJ-NUJGCVRESA-N 1 0 345.487 4.313 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)c1 ZINC000821018241 1049586975 /nfs/dbraw/zinc/58/69/75/1049586975.db2.gz YTRMCEHJCQGMHZ-DHZHZOJOSA-N 1 0 345.389 4.288 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc(OC(F)F)cc2)c1 ZINC000821017333 1049587522 /nfs/dbraw/zinc/58/75/22/1049587522.db2.gz FUHAQDODUKURJQ-FLIBITNWSA-N 1 0 331.362 4.246 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2cccc(Br)c2)c1 ZINC000821021521 1049588392 /nfs/dbraw/zinc/58/83/92/1049588392.db2.gz GZSYDWMZGVGZFT-MDZDMXLPSA-N 1 0 344.252 4.407 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000821022171 1049590313 /nfs/dbraw/zinc/59/03/13/1049590313.db2.gz PKTGGRHBXGVJBS-TWGQIWQCSA-N 1 0 344.798 4.206 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000821022837 1049590421 /nfs/dbraw/zinc/59/04/21/1049590421.db2.gz WAFGNVGZAINWBE-NTMALXAHSA-N 1 0 335.447 4.358 20 30 EIEDRO C#C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1 ZINC000812795322 1049593301 /nfs/dbraw/zinc/59/33/01/1049593301.db2.gz QZLWFCWZXCCUTQ-YHYVQYDKSA-N 1 0 336.454 4.143 20 30 EIEDRO C=CCCC[C@@H](C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccccc1 ZINC001136451502 1049646792 /nfs/dbraw/zinc/64/67/92/1049646792.db2.gz YNTSNPKKOPTXKI-PZJWPPBQSA-N 1 0 342.527 4.363 20 30 EIEDRO CC(C)([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000037129023 1049660299 /nfs/dbraw/zinc/66/02/99/1049660299.db2.gz IDMJIUAZXGATAN-UHFFFAOYSA-N 1 0 329.241 4.346 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000237701417 1049707152 /nfs/dbraw/zinc/70/71/52/1049707152.db2.gz JQKVMYPVSHPBQS-ZDUSSCGKSA-N 1 0 334.341 4.286 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1cccc(C#N)c1 ZINC001171463308 1049714630 /nfs/dbraw/zinc/71/46/30/1049714630.db2.gz QBWBXOPJPMCDMC-YLJYHZDGSA-N 1 0 326.390 4.435 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCSCc2ccccc2F)cc1 ZINC000237697896 1049716221 /nfs/dbraw/zinc/71/62/21/1049716221.db2.gz FJLHQJCTOLXZQG-HNNXBMFYSA-N 1 0 344.455 4.140 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000179705126 1049726430 /nfs/dbraw/zinc/72/64/30/1049726430.db2.gz LNYVWNONKVMXEX-LJQANCHMSA-N 1 0 326.827 4.461 20 30 EIEDRO N#CCCCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000237732232 1049730245 /nfs/dbraw/zinc/73/02/45/1049730245.db2.gz ZFQSZSCMXJQOBD-UHFFFAOYSA-N 1 0 341.842 4.376 20 30 EIEDRO Fc1cccc2c1C[C@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)CC2 ZINC001170978398 1049735121 /nfs/dbraw/zinc/73/51/21/1049735121.db2.gz VVEJTFOQMCJYRU-SNVBAGLBSA-N 1 0 343.286 4.404 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@@H](c3ccc(Cl)cc3)C3CC3)n2c1 ZINC000237754149 1049745003 /nfs/dbraw/zinc/74/50/03/1049745003.db2.gz ULTNZYDBDMLBMR-LJQANCHMSA-N 1 0 336.826 4.100 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171592093 1049751907 /nfs/dbraw/zinc/75/19/07/1049751907.db2.gz YYGUUWKKIOCHEZ-JXXFODFXSA-N 1 0 336.520 4.192 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000179804346 1049766971 /nfs/dbraw/zinc/76/69/71/1049766971.db2.gz GJKDMCVHWXUAGO-UHFFFAOYSA-N 1 0 347.462 4.031 20 30 EIEDRO N#Cc1ccc(CC[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001171653624 1049770805 /nfs/dbraw/zinc/77/08/05/1049770805.db2.gz KTNFPAGNEHBZLC-UHFFFAOYSA-N 1 0 330.353 4.398 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001171705625 1049781240 /nfs/dbraw/zinc/78/12/40/1049781240.db2.gz DAEYRRPXKMKMFM-QRWLVFNGSA-N 1 0 340.854 4.256 20 30 EIEDRO CCCC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCc2ncsc2C1 ZINC001171724660 1049785777 /nfs/dbraw/zinc/78/57/77/1049785777.db2.gz YDOLVMPQLAPNKT-INIZCTEOSA-N 1 0 343.471 4.313 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171817674 1049801406 /nfs/dbraw/zinc/80/14/06/1049801406.db2.gz FZBQQAWNEOPHRG-AXVVYFOYSA-N 1 0 336.520 4.335 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001171824954 1049802602 /nfs/dbraw/zinc/80/26/02/1049802602.db2.gz JUUXZVAVAVPYAI-YRXWBPOGSA-N 1 0 348.531 4.288 20 30 EIEDRO C#C[C@H]1CCC[N@@H+]([C@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001171824953 1049802702 /nfs/dbraw/zinc/80/27/02/1049802702.db2.gz JUUXZVAVAVPYAI-INDMIFKZSA-N 1 0 348.531 4.288 20 30 EIEDRO N#Cc1ccc(CC2CC[NH+]([C@@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171805047 1049806839 /nfs/dbraw/zinc/80/68/39/1049806839.db2.gz LDDFDYWFBWEONM-HXUWFJFHSA-N 1 0 334.438 4.119 20 30 EIEDRO C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)CCC[N@@H+]1CCCC#N ZINC001171841102 1049811260 /nfs/dbraw/zinc/81/12/60/1049811260.db2.gz KBRSMTWCSIVQRL-INIZCTEOSA-N 1 0 326.362 4.286 20 30 EIEDRO C=C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001171835619 1049811371 /nfs/dbraw/zinc/81/13/71/1049811371.db2.gz LESLXLYCKFSIOH-FCHUYYIVSA-N 1 0 348.490 4.127 20 30 EIEDRO CC(C)([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 ZINC001171911598 1049818435 /nfs/dbraw/zinc/81/84/35/1049818435.db2.gz RFJTXEHIYGDVHC-QGZVFWFLSA-N 1 0 349.261 4.423 20 30 EIEDRO C=C(C)C[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1cnn(C(C)C)c1 ZINC000823121160 1049825391 /nfs/dbraw/zinc/82/53/91/1049825391.db2.gz GSWVKGTZTSSMND-OAHLLOKOSA-N 1 0 330.303 4.426 20 30 EIEDRO C=CCCC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001136755517 1049865611 /nfs/dbraw/zinc/86/56/11/1049865611.db2.gz YWYQLEPDJKGWML-PMACEKPBSA-N 1 0 328.500 4.117 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@@H]3CSc4ccccc4C3)CC2)cc1 ZINC001172210588 1049866022 /nfs/dbraw/zinc/86/60/22/1049866022.db2.gz YISZQHHGDQTVNF-FQEVSTJZSA-N 1 0 334.488 4.455 20 30 EIEDRO N#Cc1cccc(C2CC[NH+]([C@H]3CSc4ccccc4C3)CC2)c1 ZINC001172200351 1049869262 /nfs/dbraw/zinc/86/92/62/1049869262.db2.gz AEXGIRWMCDQJRV-HXUWFJFHSA-N 1 0 334.488 4.455 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000823703195 1049870065 /nfs/dbraw/zinc/87/00/65/1049870065.db2.gz XGRONWOOGLJJHK-GOSISDBHSA-N 1 0 330.516 4.120 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C(F)(F)F)cc1F ZINC001172302590 1049872968 /nfs/dbraw/zinc/87/29/68/1049872968.db2.gz MJYDJBBJOHLLDH-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccnc(Cl)c1)C1CC1 ZINC001172301592 1049873411 /nfs/dbraw/zinc/87/34/11/1049873411.db2.gz RZPXGRDLMKAIOA-ORAYPTAESA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC001172306721 1049873913 /nfs/dbraw/zinc/87/39/13/1049873913.db2.gz ANXMIQSPNMFSLC-QGZVFWFLSA-N 1 0 332.447 4.084 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(-c2ccccc2F)no1 ZINC001172304175 1049874042 /nfs/dbraw/zinc/87/40/42/1049874042.db2.gz IULSAEUKRPLHII-AWEZNQCLSA-N 1 0 335.382 4.073 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001172310692 1049874536 /nfs/dbraw/zinc/87/45/36/1049874536.db2.gz HZCLOQLUEUIZRH-YWZLYKJASA-N 1 0 340.467 4.495 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1cccc(Br)c1 ZINC001172314626 1049875643 /nfs/dbraw/zinc/87/56/43/1049875643.db2.gz KZQGEEIADLYKNA-AWEZNQCLSA-N 1 0 343.268 4.384 20 30 EIEDRO CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001172311580 1049875729 /nfs/dbraw/zinc/87/57/29/1049875729.db2.gz VDWLIVAAUZIGBM-XXBNENTESA-N 1 0 347.506 4.086 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001172318748 1049876491 /nfs/dbraw/zinc/87/64/91/1049876491.db2.gz IAFGRDWPNDPAJO-GCJKJVERSA-N 1 0 334.463 4.170 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCC23CCC3)ccc1OC ZINC000823848364 1049881102 /nfs/dbraw/zinc/88/11/02/1049881102.db2.gz UTTNWHOZNXCFQA-QFBILLFUSA-N 1 0 328.456 4.189 20 30 EIEDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)Cc3ccc(C#N)cc3)cc2)n1 ZINC001172295164 1049881873 /nfs/dbraw/zinc/88/18/73/1049881873.db2.gz PSQYSNQKUCZOQT-MRXNPFEDSA-N 1 0 344.462 4.082 20 30 EIEDRO Cc1ccc(Cl)c(CC[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1F ZINC001172298785 1049882640 /nfs/dbraw/zinc/88/26/40/1049882640.db2.gz HOOPWDSAUKHHSE-CQSZACIVSA-N 1 0 330.834 4.423 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001172297343 1049882736 /nfs/dbraw/zinc/88/27/36/1049882736.db2.gz OMHRLBLDVMEDBC-MAUKXSAKSA-N 1 0 329.447 4.133 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1c2ccc(F)cc2c2c1C[C@@H]([NH3+])CC2 ZINC001172297176 1049882854 /nfs/dbraw/zinc/88/28/54/1049882854.db2.gz BTBRYAWNSOEQDS-KSSFIOAISA-N 1 0 347.437 4.272 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1N1CCCCC1 ZINC001172298570 1049882987 /nfs/dbraw/zinc/88/29/87/1049882987.db2.gz YRBPBGPWYGRSML-GOSISDBHSA-N 1 0 333.479 4.269 20 30 EIEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172299208 1049883009 /nfs/dbraw/zinc/88/30/09/1049883009.db2.gz GDSHWXHHQVAHHX-HNNXBMFYSA-N 1 0 347.462 4.135 20 30 EIEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172378965 1049885776 /nfs/dbraw/zinc/88/57/76/1049885776.db2.gz MXVPUQDRKBEXID-LZLYRXPVSA-N 1 0 342.483 4.235 20 30 EIEDRO CCCCCCC[C@H](CC)[N@@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001172354823 1049893148 /nfs/dbraw/zinc/89/31/48/1049893148.db2.gz KWHWVLOTXGOSBX-KRWDZBQOSA-N 1 0 344.503 4.417 20 30 EIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001172361947 1049895737 /nfs/dbraw/zinc/89/57/37/1049895737.db2.gz PSORCQZTLWMLKO-FQEVSTJZSA-N 1 0 345.531 4.415 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C[C@@]1(C)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001172476407 1049908908 /nfs/dbraw/zinc/90/89/08/1049908908.db2.gz KZOKGEQSJNXVDJ-QFBILLFUSA-N 1 0 337.508 4.086 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001172481290 1049909815 /nfs/dbraw/zinc/90/98/15/1049909815.db2.gz SDFGHEOFJOYVJJ-OAHLLOKOSA-N 1 0 331.460 4.230 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172483782 1049910906 /nfs/dbraw/zinc/91/09/06/1049910906.db2.gz UEYWOMZHVDPSNR-MBOZVWFJSA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(OCC#N)cc1 ZINC000180540598 1049912256 /nfs/dbraw/zinc/91/22/56/1049912256.db2.gz ZKNXDECVMHHOKF-DLBZAZTESA-N 1 0 346.434 4.186 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001172490787 1049920393 /nfs/dbraw/zinc/92/03/93/1049920393.db2.gz ALJZDGZUTUCROC-HNNXBMFYSA-N 1 0 331.460 4.248 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc2c(c1)CCN2C(=O)OC(C)(C)C ZINC001172491833 1049920525 /nfs/dbraw/zinc/92/05/25/1049920525.db2.gz PKWNHCJQJRWJRZ-OAHLLOKOSA-N 1 0 343.471 4.156 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC001172490627 1049920845 /nfs/dbraw/zinc/92/08/45/1049920845.db2.gz JGAQMXVDNPAIIR-OXQOHEQNSA-N 1 0 332.451 4.335 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)CC1 ZINC001172495742 1049921705 /nfs/dbraw/zinc/92/17/05/1049921705.db2.gz HHQXDRGDPNKADN-XLIONFOSSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@]2(CCCCN2C(=O)OC(C)(C)C)C1 ZINC001172494955 1049922163 /nfs/dbraw/zinc/92/21/63/1049922163.db2.gz AFMDPHUYGXJIBI-PXNSSMCTSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001172492067 1049922234 /nfs/dbraw/zinc/92/22/34/1049922234.db2.gz PYPIVZBMKOGFMD-HOTGVXAUSA-N 1 0 343.471 4.197 20 30 EIEDRO CCCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001172505568 1049924003 /nfs/dbraw/zinc/92/40/03/1049924003.db2.gz PHTGKEFLZWMXEK-RBUKOAKNSA-N 1 0 335.536 4.491 20 30 EIEDRO CCCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001172505567 1049924708 /nfs/dbraw/zinc/92/47/08/1049924708.db2.gz PHTGKEFLZWMXEK-OALUTQOASA-N 1 0 335.536 4.491 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH+]1CC([C@H](N)C(=O)OC(C)(C)C)C1 ZINC001172508244 1049925899 /nfs/dbraw/zinc/92/58/99/1049925899.db2.gz HYKXOAOGOCVWMK-MSOLQXFVSA-N 1 0 340.552 4.116 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+]Cc1ccc(S(C)(=O)=O)cn1 ZINC001172506363 1049925915 /nfs/dbraw/zinc/92/59/15/1049925915.db2.gz SCHDHOGNSOGWKK-INIZCTEOSA-N 1 0 340.533 4.104 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001172507430 1049926030 /nfs/dbraw/zinc/92/60/30/1049926030.db2.gz UINYUEHGURGJLH-FQEVSTJZSA-N 1 0 347.506 4.476 20 30 EIEDRO CCCCCCCCCCCC[C@@H](C)[NH2+]C1CC(CO)(CO)C1 ZINC001172565513 1049935541 /nfs/dbraw/zinc/93/55/41/1049935541.db2.gz JMJLIHXYDFEICU-GOSISDBHSA-N 1 0 327.553 4.409 20 30 EIEDRO C[C@@H](CCc1c(F)cc(Cl)cc1F)[NH2+]Cc1ncc(C#N)s1 ZINC001172575918 1049942230 /nfs/dbraw/zinc/94/22/30/1049942230.db2.gz LEXUFOZZBQBPKE-VIFPVBQESA-N 1 0 341.814 4.057 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1 ZINC001172681134 1049964184 /nfs/dbraw/zinc/96/41/84/1049964184.db2.gz YJUOUDPQDVCPPC-NHCUHLMSSA-N 1 0 334.463 4.085 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1 ZINC000181012808 1049977807 /nfs/dbraw/zinc/97/78/07/1049977807.db2.gz WINFZUHJXVQTPG-GFCCVEGCSA-N 1 0 334.341 4.027 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]C(c2ccccc2)c2ccccc2)cc1 ZINC000069302641 1050040941 /nfs/dbraw/zinc/04/09/41/1050040941.db2.gz MFQNHQQDCCAZBO-UHFFFAOYSA-N 1 0 328.415 4.316 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000248791642 1050078232 /nfs/dbraw/zinc/07/82/32/1050078232.db2.gz IURPASFYKTWUNQ-ATZDWAIDSA-N 1 0 331.891 4.149 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000181417118 1050120500 /nfs/dbraw/zinc/12/05/00/1050120500.db2.gz CLOTYXMBPGLZJO-BTYIYWSLSA-N 1 0 336.435 4.377 20 30 EIEDRO CC[NH+](CC)[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)CC(C)C ZINC001177209651 1050161328 /nfs/dbraw/zinc/16/13/28/1050161328.db2.gz PZKINJUQXXGEND-HXUWFJFHSA-N 1 0 327.516 4.088 20 30 EIEDRO [NH2+]=C(NC1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC001172818315 1050161467 /nfs/dbraw/zinc/16/14/67/1050161467.db2.gz JWOQZZRCHNBYEA-UHFFFAOYSA-N 1 0 327.859 4.242 20 30 EIEDRO Cc1ccc2c(c1)C[C@@H](NC(=[NH2+])c1ccc3cc(O)ccc3c1)CC2 ZINC001172827564 1050166099 /nfs/dbraw/zinc/16/60/99/1050166099.db2.gz CJVPCZUXFBYQDL-FQEVSTJZSA-N 1 0 330.431 4.117 20 30 EIEDRO Cc1ccc2c(c1)C[C@@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)CC2 ZINC001172845642 1050183976 /nfs/dbraw/zinc/18/39/76/1050183976.db2.gz ZDPFVRDCZRCCOV-NRFANRHFSA-N 1 0 346.474 4.267 20 30 EIEDRO CCCOCc1ccccc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181529942 1050184471 /nfs/dbraw/zinc/18/44/71/1050184471.db2.gz MVINOJOJFNBTSN-KRWDZBQOSA-N 1 0 338.451 4.366 20 30 EIEDRO C[C@H](COc1cccc(F)c1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001177446527 1050221875 /nfs/dbraw/zinc/22/18/75/1050221875.db2.gz RJVZICOUHFIJNQ-OAHLLOKOSA-N 1 0 326.415 4.184 20 30 EIEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172890366 1050228938 /nfs/dbraw/zinc/22/89/38/1050228938.db2.gz RZWZGCWAIIEORY-QGZVFWFLSA-N 1 0 340.552 4.131 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC001177548715 1050251780 /nfs/dbraw/zinc/25/17/80/1050251780.db2.gz PCHWMZRDZUAMPF-SFHVURJKSA-N 1 0 348.368 4.017 20 30 EIEDRO CCN(CCC[NH+]1CCCC1)c1c(C#N)cnc2c(Cl)cccc21 ZINC001186158069 1050253007 /nfs/dbraw/zinc/25/30/07/1050253007.db2.gz ZJDDJDCSRQHOCV-UHFFFAOYSA-N 1 0 342.874 4.072 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(N(C)C)cc2)cc1Cl ZINC001177594886 1050262225 /nfs/dbraw/zinc/26/22/25/1050262225.db2.gz QOWKUCNYWPGWHH-UHFFFAOYSA-N 1 0 344.886 4.303 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CC(C)(C)c2ccc(F)cc2)cc1 ZINC001177674072 1050275710 /nfs/dbraw/zinc/27/57/10/1050275710.db2.gz KCSQDGMHBCBQRL-UHFFFAOYSA-N 1 0 325.427 4.295 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001173088233 1050281498 /nfs/dbraw/zinc/28/14/98/1050281498.db2.gz QHXGRABQYAMEAD-MIGQKNRLSA-N 1 0 338.373 4.283 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC1(C#N)CCCC1 ZINC001173075233 1050289812 /nfs/dbraw/zinc/28/98/12/1050289812.db2.gz YRDXPBPZFIZLTP-ZDUSSCGKSA-N 1 0 326.362 4.190 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001173086188 1050298846 /nfs/dbraw/zinc/29/88/46/1050298846.db2.gz MRTJQXPQGLYVDL-YUELXQCFSA-N 1 0 326.362 4.188 20 30 EIEDRO Cc1cc(C[NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)ccc1C#N ZINC000618192022 1050303010 /nfs/dbraw/zinc/30/30/10/1050303010.db2.gz XNRDROYPBKDSBU-KRWDZBQOSA-N 1 0 339.870 4.136 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cccc(-n2ccnc2)c1 ZINC000181837684 1050349181 /nfs/dbraw/zinc/34/91/81/1050349181.db2.gz KGLFYJNEBFMNRC-DLBZAZTESA-N 1 0 346.434 4.186 20 30 EIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Oc1ccccc1F ZINC000181858024 1050354265 /nfs/dbraw/zinc/35/42/65/1050354265.db2.gz PDKMSNYCANQILS-NVXWUHKLSA-N 1 0 342.414 4.236 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000181956316 1050396658 /nfs/dbraw/zinc/39/66/58/1050396658.db2.gz QAXNVTUPWVHIKO-HNAYVOBHSA-N 1 0 349.434 4.099 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173311646 1050403152 /nfs/dbraw/zinc/40/31/52/1050403152.db2.gz NEPBFHPUEQEHGX-UHFFFAOYSA-N 1 0 329.362 4.189 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC001173309211 1050404560 /nfs/dbraw/zinc/40/45/60/1050404560.db2.gz SJWXDAWXSLVBOY-UHFFFAOYSA-N 1 0 342.252 4.192 20 30 EIEDRO Cc1nsc(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC001186756906 1050406324 /nfs/dbraw/zinc/40/63/24/1050406324.db2.gz HOHKOKATQCKVFF-OAHLLOKOSA-N 1 0 329.494 4.080 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC001173312359 1050406796 /nfs/dbraw/zinc/40/67/96/1050406796.db2.gz YRFXJGYWSOLYLV-UHFFFAOYSA-N 1 0 338.289 4.095 20 30 EIEDRO C=CCOC1CCC(n2cc(C[C@H](C)[NH3+])c3cc(OC)ccc32)CC1 ZINC001173312937 1050406827 /nfs/dbraw/zinc/40/68/27/1050406827.db2.gz NJYUEFLSIYHPAW-ZLPCBKJTSA-N 1 0 342.483 4.226 20 30 EIEDRO C=CCOC1CCC([N@@H+](C)[C@H](CCC)C(=O)c2ccccc2)CC1 ZINC001173322722 1050415227 /nfs/dbraw/zinc/41/52/27/1050415227.db2.gz JWMAJKRJWWNLIB-SOAGJPPSSA-N 1 0 329.484 4.484 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000618568444 1050415659 /nfs/dbraw/zinc/41/56/59/1050415659.db2.gz UAJZEDZFTXQSQB-FTRWYGJKSA-N 1 0 348.450 4.067 20 30 EIEDRO C=CCOC1CCC([N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC1 ZINC001173322180 1050415513 /nfs/dbraw/zinc/41/55/13/1050415513.db2.gz XNBILGZCFVJAPZ-UHFFFAOYSA-N 1 0 342.527 4.097 20 30 EIEDRO C=CCOC1CCC([N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001173323270 1050415963 /nfs/dbraw/zinc/41/59/63/1050415963.db2.gz BEODOMVOUUJCOD-ORFBVSJDSA-N 1 0 342.527 4.097 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001173326543 1050417779 /nfs/dbraw/zinc/41/77/79/1050417779.db2.gz JSTYKLAAPLPCAO-XVAXZDLZSA-N 1 0 329.484 4.181 20 30 EIEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173324878 1050418209 /nfs/dbraw/zinc/41/82/09/1050418209.db2.gz WVGORHKHWYZUGC-CPFNUKBASA-N 1 0 349.519 4.084 20 30 EIEDRO N#CCC1CCC([NH2+]CCCc2ccccc2Br)CC1 ZINC001173331084 1050422506 /nfs/dbraw/zinc/42/25/06/1050422506.db2.gz YVONYGXMUKBIEH-UHFFFAOYSA-N 1 0 335.289 4.444 20 30 EIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC001178268042 1050423520 /nfs/dbraw/zinc/42/35/20/1050423520.db2.gz VUZBNXQPVLDXDD-LJQANCHMSA-N 1 0 341.499 4.406 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)CC1 ZINC001173332355 1050423334 /nfs/dbraw/zinc/42/33/34/1050423334.db2.gz LNOVGIRJDQVCBA-TZDAIYRESA-N 1 0 327.255 4.089 20 30 EIEDRO N#CCC1CCC([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC001173332757 1050423382 /nfs/dbraw/zinc/42/33/82/1050423382.db2.gz SRJHEJATOZDVPS-UHFFFAOYSA-N 1 0 332.875 4.096 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc2ccccc21)c1ccc(OCC#N)cc1 ZINC000182004017 1050423621 /nfs/dbraw/zinc/42/36/21/1050423621.db2.gz PQWAORTZVMIUAT-KRWDZBQOSA-N 1 0 346.430 4.472 20 30 EIEDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2C2CCC(CC#N)CC2)c1 ZINC001173340662 1050430085 /nfs/dbraw/zinc/43/00/85/1050430085.db2.gz JLMABVWZHHFRFL-PPSBMQLTSA-N 1 0 326.440 4.083 20 30 EIEDRO Cc1cc(F)c(C#N)c(NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC001186895372 1050435317 /nfs/dbraw/zinc/43/53/17/1050435317.db2.gz DEJCRUZIFBZJHJ-HNNXBMFYSA-N 1 0 345.849 4.417 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(OC)c(C(F)(F)F)c2)CC1 ZINC001173315033 1050438215 /nfs/dbraw/zinc/43/82/15/1050438215.db2.gz FTUOKVITKBZMSQ-UHFFFAOYSA-N 1 0 343.389 4.317 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2ccccc2C(F)(F)F)CC1 ZINC001173316690 1050438905 /nfs/dbraw/zinc/43/89/05/1050438905.db2.gz BROXGDVSDFUJHH-UHFFFAOYSA-N 1 0 327.390 4.351 20 30 EIEDRO C=CCOC1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001173319820 1050441613 /nfs/dbraw/zinc/44/16/13/1050441613.db2.gz XENBZQPSXUQCKH-FTWXPCQCSA-N 1 0 342.527 4.000 20 30 EIEDRO C=CCOC1CCC([NH2+]CC(C)(C)Cc2ccccc2OC)CC1 ZINC001173317273 1050441730 /nfs/dbraw/zinc/44/17/30/1050441730.db2.gz FARITGNCHWQOLP-UHFFFAOYSA-N 1 0 331.500 4.367 20 30 EIEDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)n(-c2ccccc2)n1 ZINC000182046371 1050444491 /nfs/dbraw/zinc/44/44/91/1050444491.db2.gz HQUZZGUUUVYJQK-AEFFLSMTSA-N 1 0 344.462 4.334 20 30 EIEDRO CCCC[NH+](CCCC)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173432481 1050457284 /nfs/dbraw/zinc/45/72/84/1050457284.db2.gz BRNZJXPQIPLKLO-UHFFFAOYSA-N 1 0 341.499 4.065 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000182090502 1050461946 /nfs/dbraw/zinc/46/19/46/1050461946.db2.gz XQSVMXANVFGLCH-JKSUJKDBSA-N 1 0 338.451 4.105 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173587215 1050493221 /nfs/dbraw/zinc/49/32/21/1050493221.db2.gz SERUWGICHTWJJY-ZRZPHAQCSA-N 1 0 349.519 4.086 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(F)cc1Br ZINC001178531929 1050493932 /nfs/dbraw/zinc/49/39/32/1050493932.db2.gz GKDFYKBCEDCBBJ-UHFFFAOYSA-N 1 0 347.231 4.367 20 30 EIEDRO COc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1C(F)(F)F ZINC001173588940 1050494170 /nfs/dbraw/zinc/49/41/70/1050494170.db2.gz ONBNMEYTEYTUKQ-UHFFFAOYSA-N 1 0 326.362 4.276 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCCc2cncc(C(F)(F)F)c2)CC1 ZINC001173589579 1050494595 /nfs/dbraw/zinc/49/45/95/1050494595.db2.gz HCRWPOJNPJAYIC-UHFFFAOYSA-N 1 0 325.378 4.095 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(Br)c(Cl)n2)CC1 ZINC001173588762 1050495296 /nfs/dbraw/zinc/49/52/96/1050495296.db2.gz RQKXEXUYAPMPRL-UHFFFAOYSA-N 1 0 342.668 4.060 20 30 EIEDRO COc1ccccc1O[C@H]1CCC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596467 1050496079 /nfs/dbraw/zinc/49/60/79/1050496079.db2.gz XXJGWXJFBUUQEF-GNZRSQJKSA-N 1 0 328.456 4.011 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC001173596176 1050496639 /nfs/dbraw/zinc/49/66/39/1050496639.db2.gz MMYJMHCGZDQPMJ-UHFFFAOYSA-N 1 0 330.447 4.279 20 30 EIEDRO COc1cccc(O[C@H]2CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173596421 1050496948 /nfs/dbraw/zinc/49/69/48/1050496948.db2.gz WOQKSJCICPYARM-AJPWXKBRSA-N 1 0 328.456 4.011 20 30 EIEDRO CCCOc1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000618741208 1050501065 /nfs/dbraw/zinc/50/10/65/1050501065.db2.gz DLEUNEGYESOPQL-LJQANCHMSA-N 1 0 336.435 4.133 20 30 EIEDRO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@H+](C)C1CCC(C)(C#N)CC1 ZINC001173601425 1050502643 /nfs/dbraw/zinc/50/26/43/1050502643.db2.gz SXTRDBQJQBMHGA-YOLZPYMBSA-N 1 0 339.527 4.301 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000618742180 1050503679 /nfs/dbraw/zinc/50/36/79/1050503679.db2.gz KMAWXXFKRLZRBQ-QGZVFWFLSA-N 1 0 332.325 4.234 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(OC)c(OC)c1 ZINC000618803289 1050533799 /nfs/dbraw/zinc/53/37/99/1050533799.db2.gz SKZIIQWEGIQGRI-MOPGFXCFSA-N 1 0 336.435 4.304 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCc1cc(C)ccc1F ZINC001178731513 1050540158 /nfs/dbraw/zinc/54/01/58/1050540158.db2.gz SATWAMXGWZGQRT-UHFFFAOYSA-N 1 0 331.818 4.132 20 30 EIEDRO C[NH2+]C1(CNc2cc(C(F)(F)F)c(F)cc2C#N)CCCCC1 ZINC001187430468 1050547609 /nfs/dbraw/zinc/54/76/09/1050547609.db2.gz KQTJKXKVCHTNRA-UHFFFAOYSA-N 1 0 329.341 4.050 20 30 EIEDRO N#CC1CC([NH2+][C@@H]2CCc3ccc(OCc4ccccc4)cc3C2)C1 ZINC001173703729 1050549112 /nfs/dbraw/zinc/54/91/12/1050549112.db2.gz SLMMHESCVZKNJC-TWMPVWRBSA-N 1 0 332.447 4.015 20 30 EIEDRO C=C(C)CC[NH2+]Cc1cc(Br)ccc1Br ZINC001178769568 1050550244 /nfs/dbraw/zinc/55/02/44/1050550244.db2.gz OSSBCDRGAHTPAM-UHFFFAOYSA-N 1 0 333.067 4.267 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000155530192 1050551566 /nfs/dbraw/zinc/55/15/66/1050551566.db2.gz FCGZGCAKKWEMDF-IFMALSPDSA-N 1 0 332.447 4.226 20 30 EIEDRO C#Cc1ccc(C[NH2+]C/C=C/c2ccc(Br)cc2)cc1 ZINC001178787365 1050552779 /nfs/dbraw/zinc/55/27/79/1050552779.db2.gz RMCUJMGNOPLHFI-ONEGZZNKSA-N 1 0 326.237 4.233 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)Cc1ccc(C(=O)OC)cc1)c1cccc(C#N)c1 ZINC001173718079 1050555303 /nfs/dbraw/zinc/55/53/03/1050555303.db2.gz WATBSOIHKKCOGC-MGPUTAFESA-N 1 0 336.435 4.017 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000093315563 1050560102 /nfs/dbraw/zinc/56/01/02/1050560102.db2.gz PHJRCLRVNFIYPW-CQSZACIVSA-N 1 0 327.424 4.028 20 30 EIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000775132699 1050579776 /nfs/dbraw/zinc/57/97/76/1050579776.db2.gz AYQFIUMTXKSEDQ-UXHICEINSA-N 1 0 340.442 4.498 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC001178939676 1050592539 /nfs/dbraw/zinc/59/25/39/1050592539.db2.gz NWUHPOMTGYPMGN-JOCHJYFZSA-N 1 0 349.453 4.348 20 30 EIEDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001178993050 1050605659 /nfs/dbraw/zinc/60/56/59/1050605659.db2.gz YSFIWGTWHLHDRG-UHFFFAOYSA-N 1 0 344.499 4.335 20 30 EIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)cc2F)c2cc([N+](=O)[O-])ccc21 ZINC000618984288 1050612116 /nfs/dbraw/zinc/61/21/16/1050612116.db2.gz VJRVJDKRQXLYOM-SFHVURJKSA-N 1 0 339.370 4.118 20 30 EIEDRO CC(C)([NH2+]Cc1cccc(Br)c1)c1cccc(C#N)c1 ZINC001179140743 1050640130 /nfs/dbraw/zinc/64/01/30/1050640130.db2.gz SIBRZHVDABMYGS-UHFFFAOYSA-N 1 0 329.241 4.346 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2(SCC)CC2)cc1OC ZINC001179222827 1050652095 /nfs/dbraw/zinc/65/20/95/1050652095.db2.gz SPPPSRSPJKBENY-UHFFFAOYSA-N 1 0 341.904 4.289 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)cc1OC ZINC001179228022 1050656360 /nfs/dbraw/zinc/65/63/60/1050656360.db2.gz BMUAQYLVKAXPBI-AWEZNQCLSA-N 1 0 345.817 4.294 20 30 EIEDRO N#Cc1cc(F)cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC001179353405 1050671255 /nfs/dbraw/zinc/67/12/55/1050671255.db2.gz QXGNOVSIYWCGEC-UHFFFAOYSA-N 1 0 343.833 4.427 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)cc1C#N ZINC001179562574 1050717017 /nfs/dbraw/zinc/71/70/17/1050717017.db2.gz GHFSBVWVONVPEM-UHFFFAOYSA-N 1 0 336.826 4.200 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cccc(C)c2Br)cc1C#N ZINC001179562934 1050718925 /nfs/dbraw/zinc/71/89/25/1050718925.db2.gz ZTIOXYXMVPAHAO-UHFFFAOYSA-N 1 0 329.241 4.227 20 30 EIEDRO Cc1oc2ccccc2c1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001179845349 1050796190 /nfs/dbraw/zinc/79/61/90/1050796190.db2.gz QASZUSXPQPEERL-NRFANRHFSA-N 1 0 345.446 4.124 20 30 EIEDRO Cn1nc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c2ccccc21 ZINC000619508719 1050796938 /nfs/dbraw/zinc/79/69/38/1050796938.db2.gz LBTQDBPWQPALIG-IBGZPJMESA-N 1 0 330.435 4.002 20 30 EIEDRO CC(C)[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccnn1C ZINC000619508724 1050797517 /nfs/dbraw/zinc/79/75/17/1050797517.db2.gz LYEBHFPTRRSKPK-UXHICEINSA-N 1 0 336.483 4.089 20 30 EIEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508370 1050797610 /nfs/dbraw/zinc/79/76/10/1050797610.db2.gz JLCTYKBSJDFKCO-XGRCMKMKSA-N 1 0 334.463 4.080 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2cnc(CC)nc2)C(C)(C)C)cc1 ZINC001179992779 1050843659 /nfs/dbraw/zinc/84/36/59/1050843659.db2.gz ABRNLXRWONBETD-UHFFFAOYSA-N 1 0 339.483 4.405 20 30 EIEDRO C=CCN(Cc1ccc(OC)cc1)Cc1cc(OC)c(O)cc1Cl ZINC001179966952 1050851129 /nfs/dbraw/zinc/85/11/29/1050851129.db2.gz VJIGYVJNZBJSAX-UHFFFAOYSA-N 1 0 347.842 4.251 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cc1Cl ZINC000619754794 1050883101 /nfs/dbraw/zinc/88/31/01/1050883101.db2.gz KSHKOYILQMVKPS-UZLBHIALSA-N 1 0 340.854 4.469 20 30 EIEDRO COc1cccc(C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C2CC2)c1 ZINC000619755669 1050883281 /nfs/dbraw/zinc/88/32/81/1050883281.db2.gz OZKFVTCQUFHJPE-FQEVSTJZSA-N 1 0 340.854 4.331 20 30 EIEDRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC000619754821 1050883643 /nfs/dbraw/zinc/88/36/43/1050883643.db2.gz LISSGHJPIQAZQS-CQSZACIVSA-N 1 0 344.842 4.088 20 30 EIEDRO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754798 1050883802 /nfs/dbraw/zinc/88/38/02/1050883802.db2.gz KUKOEIBSQCZLAU-KRWDZBQOSA-N 1 0 330.790 4.136 20 30 EIEDRO Cn1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c(C2CCCCC2)n1 ZINC000619748575 1050894876 /nfs/dbraw/zinc/89/48/76/1050894876.db2.gz IYKWTHBABOZSSU-UHFFFAOYSA-N 1 0 342.874 4.283 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1Cl ZINC000619749112 1050896002 /nfs/dbraw/zinc/89/60/02/1050896002.db2.gz KYNMPXHVACOLFA-YJBOKZPZSA-N 1 0 325.843 4.423 20 30 EIEDRO Cc1ccc(CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1C ZINC001180249401 1050933322 /nfs/dbraw/zinc/93/33/22/1050933322.db2.gz LBCSJCKBBSSJBB-UHFFFAOYSA-N 1 0 334.463 4.261 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000153049858 1050942994 /nfs/dbraw/zinc/94/29/94/1050942994.db2.gz UBCUXUWYQJBBAJ-AWEZNQCLSA-N 1 0 342.405 4.276 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(O[C@H](C)COC)cc1)[C@@H]1CCc2ccccc21 ZINC001180296819 1050959771 /nfs/dbraw/zinc/95/97/71/1050959771.db2.gz MBZRDBRSXQPKEX-WZONZLPQSA-N 1 0 349.474 4.223 20 30 EIEDRO CC#CCC[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001180470474 1051011219 /nfs/dbraw/zinc/01/12/19/1051011219.db2.gz UWVNXELLRSXETG-AWEZNQCLSA-N 1 0 346.268 4.373 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H](O)c2ccc(-c3ccccc3)cc2)cc1F ZINC001180601724 1051049659 /nfs/dbraw/zinc/04/96/59/1051049659.db2.gz CBNURLBOAFBEQY-QFIPXVFZSA-N 1 0 346.405 4.188 20 30 EIEDRO CCCCC[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000775320864 1051061463 /nfs/dbraw/zinc/06/14/63/1051061463.db2.gz VQGQKTGLKIKQPZ-NRFANRHFSA-N 1 0 349.478 4.086 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000076153778 1051097870 /nfs/dbraw/zinc/09/78/70/1051097870.db2.gz VBRNIXVJRZXWTK-VXKWHMMOSA-N 1 0 342.446 4.144 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC001181144256 1051166593 /nfs/dbraw/zinc/16/65/93/1051166593.db2.gz AYZSWHDPUSYREY-XJKSGUPXSA-N 1 0 326.278 4.207 20 30 EIEDRO Cc1ccc(N2CC[NH+](CCCCC3(C#N)CCC3)CC2)c(C)c1 ZINC001174788757 1051173582 /nfs/dbraw/zinc/17/35/82/1051173582.db2.gz CXTRXDFMZQDICE-UHFFFAOYSA-N 1 0 325.500 4.290 20 30 EIEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC001181163614 1051183122 /nfs/dbraw/zinc/18/31/22/1051183122.db2.gz SCZVOWPSQVRCOQ-SJORKVTESA-N 1 0 332.875 4.428 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC001181417496 1051219294 /nfs/dbraw/zinc/21/92/94/1051219294.db2.gz ANUKFYWZAYQZMT-ZFWWWQNUSA-N 1 0 331.378 4.343 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccccc1 ZINC000775399491 1051223184 /nfs/dbraw/zinc/22/31/84/1051223184.db2.gz HWEBWHMZHAQFLS-FQEVSTJZSA-N 1 0 328.415 4.133 20 30 EIEDRO CCSc1ccccc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC001174876047 1051226729 /nfs/dbraw/zinc/22/67/29/1051226729.db2.gz XYTAIXFLDGXNDY-UHFFFAOYSA-N 1 0 337.492 4.445 20 30 EIEDRO C=C(C)C[N@@H+](Cc1cc(C(=O)OCC)c(C)[nH]1)Cc1ccccc1 ZINC001181410209 1051226607 /nfs/dbraw/zinc/22/66/07/1051226607.db2.gz JSMDLDVQSRNUSY-UHFFFAOYSA-N 1 0 326.440 4.078 20 30 EIEDRO CCC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)CC(C)C ZINC001190644523 1051243527 /nfs/dbraw/zinc/24/35/27/1051243527.db2.gz XFDNFKPIOYBZEF-UHFFFAOYSA-N 1 0 349.906 4.263 20 30 EIEDRO CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001190651882 1051245677 /nfs/dbraw/zinc/24/56/77/1051245677.db2.gz RYBYZXNXBQYZBM-LJQANCHMSA-N 1 0 347.547 4.259 20 30 EIEDRO CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1Cc1ccc(C#N)cc1 ZINC001174942540 1051262273 /nfs/dbraw/zinc/26/22/73/1051262273.db2.gz WYJSRHDEHPYSSK-UHFFFAOYSA-N 1 0 347.506 4.433 20 30 EIEDRO Cc1c(Cl)cccc1N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001181729542 1051288502 /nfs/dbraw/zinc/28/85/02/1051288502.db2.gz NSRDUSPFXSLNCG-UHFFFAOYSA-N 1 0 338.882 4.212 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H](C)Cc2ccccc2SC)cc1 ZINC001181919916 1051352730 /nfs/dbraw/zinc/35/27/30/1051352730.db2.gz LIUQUXHTINEMAG-MRXNPFEDSA-N 1 0 325.477 4.141 20 30 EIEDRO CCCCCCCNC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001191096212 1051362160 /nfs/dbraw/zinc/36/21/60/1051362160.db2.gz UYXWIFSYDWSEPY-UHFFFAOYSA-N 1 0 349.494 4.013 20 30 EIEDRO CC#CCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000155087946 1051375971 /nfs/dbraw/zinc/37/59/71/1051375971.db2.gz HDKJSLYUAOKZEI-CQSZACIVSA-N 1 0 340.389 4.158 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2cccc(C)c2C)cc1 ZINC001191144521 1051380596 /nfs/dbraw/zinc/38/05/96/1051380596.db2.gz JVVMUSHDTUAOOL-QFIPXVFZSA-N 1 0 346.474 4.450 20 30 EIEDRO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001191183573 1051391628 /nfs/dbraw/zinc/39/16/28/1051391628.db2.gz SGOHALRDTCOMGL-VGSWGCGISA-N 1 0 347.462 4.278 20 30 EIEDRO CCC[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001191257777 1051395476 /nfs/dbraw/zinc/39/54/76/1051395476.db2.gz KWOPDFXIXNNNSN-AUUYWEPGSA-N 1 0 347.890 4.441 20 30 EIEDRO CCCC[N@H+](CC)[C@H](C(=O)Nc1ccsc1C#N)c1ccccc1 ZINC001182231075 1051430000 /nfs/dbraw/zinc/43/00/00/1051430000.db2.gz GGGUXBLVIRIFIU-SFHVURJKSA-N 1 0 341.480 4.422 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000774149501 1051483044 /nfs/dbraw/zinc/48/30/44/1051483044.db2.gz XATTZLSBVWJXCA-ROUUACIJSA-N 1 0 348.368 4.351 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000774256617 1051528765 /nfs/dbraw/zinc/52/87/65/1051528765.db2.gz YGXCYNJKXWSOLK-DLBZAZTESA-N 1 0 332.806 4.125 20 30 EIEDRO COC(=O)c1cc(C#N)cc(Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001175363501 1051552343 /nfs/dbraw/zinc/55/23/43/1051552343.db2.gz HDLWZZVUOVWAGB-UHFFFAOYSA-N 1 0 349.434 4.074 20 30 EIEDRO CC[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000774361402 1051561582 /nfs/dbraw/zinc/56/15/82/1051561582.db2.gz XYVSBRZICWHFTR-MOPGFXCFSA-N 1 0 328.843 4.160 20 30 EIEDRO C[NH+]1CCN(c2ccc(Nc3cccc4ccsc43)cc2C#N)CC1 ZINC001175384255 1051564808 /nfs/dbraw/zinc/56/48/08/1051564808.db2.gz OXCLXJFNDIJXNJ-UHFFFAOYSA-N 1 0 348.475 4.268 20 30 EIEDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC001191838840 1051567289 /nfs/dbraw/zinc/56/72/89/1051567289.db2.gz MGCMOYMBICVCEM-LMDPOFIKSA-N 1 0 337.511 4.232 20 30 EIEDRO Cc1cc(Cl)nc(N=C2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC001175505374 1051634599 /nfs/dbraw/zinc/63/45/99/1051634599.db2.gz NQFRXMYIHLYFRN-UHFFFAOYSA-N 1 0 338.842 4.117 20 30 EIEDRO Cc1cccc(C2([NH2+]CCC(=O)Nc3ccc(C#N)cc3)CCCC2)c1 ZINC001192149727 1051642180 /nfs/dbraw/zinc/64/21/80/1051642180.db2.gz QSMUWSYMMLDSGA-UHFFFAOYSA-N 1 0 347.462 4.254 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC001175533002 1051655300 /nfs/dbraw/zinc/65/53/00/1051655300.db2.gz SOFFPTRUDTVBII-OAHLLOKOSA-N 1 0 326.362 4.014 20 30 EIEDRO C=CCC(C)(C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001182679049 1051665752 /nfs/dbraw/zinc/66/57/52/1051665752.db2.gz VAEWSNPAXWCPFW-IEBWSBKVSA-N 1 0 330.516 4.470 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(Cl)cn2)cc(OC)c1OC ZINC000775520358 1051696199 /nfs/dbraw/zinc/69/61/99/1051696199.db2.gz YWTJRXVCKAUBJX-CYBMUJFWSA-N 1 0 346.858 4.332 20 30 EIEDRO CC#CCCCCCCCC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001182769436 1051705876 /nfs/dbraw/zinc/70/58/76/1051705876.db2.gz FQUYWQXMOOGXRV-UHFFFAOYSA-N 1 0 328.500 4.483 20 30 EIEDRO CC(C)[NH+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)C(C)C ZINC001192500473 1051744662 /nfs/dbraw/zinc/74/46/62/1051744662.db2.gz IQQBHTKKIMGHCC-CQSZACIVSA-N 1 0 347.528 4.192 20 30 EIEDRO CC(C)([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC001175748158 1051757216 /nfs/dbraw/zinc/75/72/16/1051757216.db2.gz BBKXNAPOXOBIPI-QGZVFWFLSA-N 1 0 348.368 4.135 20 30 EIEDRO C=CC(C)(C)CC[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC001183046066 1051769099 /nfs/dbraw/zinc/76/90/99/1051769099.db2.gz STMUMWWVZOYMKG-CYBMUJFWSA-N 1 0 338.879 4.258 20 30 EIEDRO C=C(C[NH+]1CCCC1)C(=O)N(C)Cc1sc2ccccc2c1Cl ZINC001183044249 1051769638 /nfs/dbraw/zinc/76/96/38/1051769638.db2.gz FQBOMKPSVYSEAJ-UHFFFAOYSA-N 1 0 348.899 4.165 20 30 EIEDRO Cc1cc([C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c(O)cc1Cl ZINC001183023628 1051770514 /nfs/dbraw/zinc/77/05/14/1051770514.db2.gz IMVUZEVANOLISN-QGZVFWFLSA-N 1 0 325.839 4.195 20 30 EIEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000158684533 1051776064 /nfs/dbraw/zinc/77/60/64/1051776064.db2.gz ZFUCOARTIDAWMP-UHFFFAOYSA-N 1 0 344.462 4.486 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+]C2(c3cccc(Cl)c3)CCCC2)cc1 ZINC000775537817 1051777859 /nfs/dbraw/zinc/77/78/59/1051777859.db2.gz FQOBDTZDFCCEHN-IBGZPJMESA-N 1 0 340.854 4.304 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)cc1OC(F)F ZINC001192635865 1051785556 /nfs/dbraw/zinc/78/55/56/1051785556.db2.gz RVMFJNXHJGRDJH-SNVBAGLBSA-N 1 0 338.304 4.289 20 30 EIEDRO N#Cc1cncc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)c1 ZINC001192672559 1051790772 /nfs/dbraw/zinc/79/07/72/1051790772.db2.gz IGRMTDBCKLNNNI-JOCHJYFZSA-N 1 0 327.431 4.417 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC001183281601 1051813401 /nfs/dbraw/zinc/81/34/01/1051813401.db2.gz OIANZENCDIZBOR-IBGZPJMESA-N 1 0 330.516 4.133 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1cccc(-n2cccn2)c1 ZINC001192823146 1051813875 /nfs/dbraw/zinc/81/38/75/1051813875.db2.gz FIVBRORUHXNPHV-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC001183292708 1051821756 /nfs/dbraw/zinc/82/17/56/1051821756.db2.gz SNWVRZSBRBJFHP-NJYVYQBISA-N 1 0 325.500 4.103 20 30 EIEDRO COc1cccc(CC2CC[NH+](Cc3csc(C#N)c3)CC2)c1 ZINC001183334567 1051831325 /nfs/dbraw/zinc/83/13/25/1051831325.db2.gz COVYMHUBMQAICL-UHFFFAOYSA-N 1 0 326.465 4.083 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775585816 1051894338 /nfs/dbraw/zinc/89/43/38/1051894338.db2.gz KFYPRRSCRWFCBG-LJQANCHMSA-N 1 0 346.833 4.295 20 30 EIEDRO Cc1cc(Cl)nc(Nc2cccc(C[NH+]3CCCC3)c2)c1C#N ZINC001176195493 1051940006 /nfs/dbraw/zinc/94/00/06/1051940006.db2.gz FTIIGFOBZILDTL-UHFFFAOYSA-N 1 0 326.831 4.255 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC001193574233 1051947656 /nfs/dbraw/zinc/94/76/56/1051947656.db2.gz FDXSPBVARVPWFX-GOSISDBHSA-N 1 0 348.349 4.159 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCOCCOc1ccccc1)c1ccc(F)c(F)c1 ZINC001193574407 1051947689 /nfs/dbraw/zinc/94/76/89/1051947689.db2.gz FXINFGIBULENKZ-FQEVSTJZSA-N 1 0 347.405 4.267 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2sc3c(c2C#N)CCCC3)cc1 ZINC001176222891 1051962891 /nfs/dbraw/zinc/96/28/91/1051962891.db2.gz WHUMHHMMMXTWIL-UHFFFAOYSA-N 1 0 341.480 4.183 20 30 EIEDRO CCN(Cc1ccc(C#N)c(F)c1)Cc1ccccc1Br ZINC001193762007 1051995074 /nfs/dbraw/zinc/99/50/74/1051995074.db2.gz KKDPMPDGXYWSFA-UHFFFAOYSA-N 1 0 347.231 4.482 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)cc1Cl ZINC001203271500 1052001624 /nfs/dbraw/zinc/00/16/24/1052001624.db2.gz SVSJOESMUDDWSX-RTBURBONSA-N 1 0 335.875 4.342 20 30 EIEDRO CCC#C[C@H](C)N1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001194212683 1052106607 /nfs/dbraw/zinc/10/66/07/1052106607.db2.gz FEEAGNDUQGDJCC-ZDUSSCGKSA-N 1 0 344.808 4.283 20 30 EIEDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001194222259 1052111507 /nfs/dbraw/zinc/11/15/07/1052111507.db2.gz QPHYNKZAGJIDJZ-DYESRHJHSA-N 1 0 347.462 4.360 20 30 EIEDRO C[C@H](c1nc2cc(Cl)ccc2[nH]1)N(C)Cc1ccc(C#N)c(F)c1 ZINC001194457986 1052148817 /nfs/dbraw/zinc/14/88/17/1052148817.db2.gz QJVCGRBIZAJKIQ-LLVKDONJSA-N 1 0 342.805 4.420 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](C)N2CCCC[C@@H]2C)ccc1OC ZINC000622266599 1052169607 /nfs/dbraw/zinc/16/96/07/1052169607.db2.gz MPFJIAKBJCZLSU-ROUUACIJSA-N 1 0 346.515 4.003 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCO[C@H]2CCCC[C@@H]2C)ccc1OC ZINC000622266548 1052169863 /nfs/dbraw/zinc/16/98/63/1052169863.db2.gz AMQUQOUSKUWBPN-HKUYNNGSSA-N 1 0 347.499 4.335 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@]1(C)Cc1cccs1 ZINC001176662895 1052173156 /nfs/dbraw/zinc/17/31/56/1052173156.db2.gz ACAQARAOINYBSG-LJQANCHMSA-N 1 0 326.465 4.226 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(Br)c(F)c1 ZINC000131101734 1052175137 /nfs/dbraw/zinc/17/51/37/1052175137.db2.gz ZDUIWYGETHVVPJ-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1OCc1cccnc1)C(C)C ZINC000774837043 1052186766 /nfs/dbraw/zinc/18/67/66/1052186766.db2.gz ABNSWFVEJUBDGW-UHFFFAOYSA-N 1 0 326.440 4.066 20 30 EIEDRO Fc1cccc(C[NH2+]CCCC(F)(F)F)c1OCC(F)(F)F ZINC000623436876 1052653281 /nfs/dbraw/zinc/65/32/81/1052653281.db2.gz IOZWDZHMNIYJCF-UHFFFAOYSA-N 1 0 333.247 4.199 20 30 EIEDRO C[C@H](C[NH2+]Cc1cccc(F)c1OCC(F)(F)F)CC(F)(F)F ZINC000623550674 1052677835 /nfs/dbraw/zinc/67/78/35/1052677835.db2.gz XVQSBFGVVPGDPW-VIFPVBQESA-N 1 0 347.274 4.445 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](C)c2ccccn2)cc1OC ZINC000623562622 1052679893 /nfs/dbraw/zinc/67/98/93/1052679893.db2.gz XAUVWCGLVCVEBL-AWEZNQCLSA-N 1 0 346.858 4.202 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccccc1 ZINC000180036324 1052774987 /nfs/dbraw/zinc/77/49/87/1052774987.db2.gz CRMOEWVSUSXAQV-IBGZPJMESA-N 1 0 332.451 4.279 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623915273 1052836454 /nfs/dbraw/zinc/83/64/54/1052836454.db2.gz AWXUXIJQZIFCST-HOTGVXAUSA-N 1 0 344.480 4.103 20 30 EIEDRO C=C(C)COc1cc(C[N@H+](C)C[C@@H](C)c2nccs2)ccc1OC ZINC000183256059 1052967746 /nfs/dbraw/zinc/96/77/46/1052967746.db2.gz PDFZTIUCYCYACW-OAHLLOKOSA-N 1 0 346.496 4.342 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)N[C@H](c1cccs1)c1ccc(CCC)cc1 ZINC000764073402 1053028564 /nfs/dbraw/zinc/02/85/64/1053028564.db2.gz FRBSFEJDLBHXOW-IBGZPJMESA-N 1 0 342.508 4.024 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc3c(cccc3C)[nH]2)c1 ZINC000850137192 1053078283 /nfs/dbraw/zinc/07/82/83/1053078283.db2.gz LTTCICOOHVGRMO-SFHVURJKSA-N 1 0 333.435 4.447 20 30 EIEDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000850153190 1053079782 /nfs/dbraw/zinc/07/97/82/1053079782.db2.gz UVBXPHRMMCQVSE-UHFFFAOYSA-N 1 0 348.475 4.187 20 30 EIEDRO CCCCC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC001168531869 1053094865 /nfs/dbraw/zinc/09/48/65/1053094865.db2.gz UAFFNDIKRJKLNV-SFHVURJKSA-N 1 0 329.488 4.471 20 30 EIEDRO COc1cccc(C2([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CCC2)c1 ZINC000850404592 1053174269 /nfs/dbraw/zinc/17/42/69/1053174269.db2.gz BFWCNINTESKPBS-INIZCTEOSA-N 1 0 336.435 4.155 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cc(F)ccc2OC(F)F)cc1 ZINC000850408368 1053178239 /nfs/dbraw/zinc/17/82/39/1053178239.db2.gz JZSQQAYSCCRYTE-UHFFFAOYSA-N 1 0 349.352 4.119 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000850413108 1053186554 /nfs/dbraw/zinc/18/65/54/1053186554.db2.gz NAPXWYCTODYBNW-RBUKOAKNSA-N 1 0 328.843 4.059 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000794665354 1053239535 /nfs/dbraw/zinc/23/95/35/1053239535.db2.gz XGNYCEBVAKYAST-MLGOLLRUSA-N 1 0 343.389 4.292 20 30 EIEDRO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000764679843 1053267086 /nfs/dbraw/zinc/26/70/86/1053267086.db2.gz XCTGGTVQLLKRET-UYAOXDASSA-N 1 0 349.478 4.078 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC001195367314 1053382887 /nfs/dbraw/zinc/38/28/87/1053382887.db2.gz IBBACXBYDISSMR-LBPRGKRZSA-N 1 0 330.334 4.073 20 30 EIEDRO N#CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000775654973 1053392136 /nfs/dbraw/zinc/39/21/36/1053392136.db2.gz KLNFFAVDZRCUAT-QZTJIDSGSA-N 1 0 332.806 4.147 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)cc1 ZINC001195376425 1053392352 /nfs/dbraw/zinc/39/23/52/1053392352.db2.gz JPLKKXMIOSJELC-NRFANRHFSA-N 1 0 346.474 4.470 20 30 EIEDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001195463157 1053407390 /nfs/dbraw/zinc/40/73/90/1053407390.db2.gz HYJSXJNRJQKTKN-HXUWFJFHSA-N 1 0 326.390 4.434 20 30 EIEDRO C#CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC001195463470 1053407619 /nfs/dbraw/zinc/40/76/19/1053407619.db2.gz LUOXFDYSSZASDI-LBPRGKRZSA-N 1 0 326.665 4.338 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000765014068 1053412617 /nfs/dbraw/zinc/41/26/17/1053412617.db2.gz JTPBPIPIDLJXED-KRWDZBQOSA-N 1 0 332.325 4.234 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000765011663 1053418455 /nfs/dbraw/zinc/41/84/55/1053418455.db2.gz NMBBGYQINDUTBA-QGZVFWFLSA-N 1 0 345.215 4.237 20 30 EIEDRO CC(C)CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000350667721 1053425576 /nfs/dbraw/zinc/42/55/76/1053425576.db2.gz DSNYOHNMZTYVBX-UHFFFAOYSA-N 1 0 337.467 4.248 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc4c3OC(F)(F)O4)CCC2)cc1 ZINC001195559461 1053436753 /nfs/dbraw/zinc/43/67/53/1053436753.db2.gz TXRSIQDMCYUHES-UHFFFAOYSA-N 1 0 342.345 4.049 20 30 EIEDRO CC[C@H]1c2ccc(OC)c(OC)c2CC[N@H+]1CC1CCC(C#N)CC1 ZINC001195789633 1053489090 /nfs/dbraw/zinc/48/90/90/1053489090.db2.gz MWFSBGZNYQXLTN-RJYAGPCLSA-N 1 0 342.483 4.343 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cccnc2OCCCC)cc1 ZINC000765331512 1053512029 /nfs/dbraw/zinc/51/20/29/1053512029.db2.gz DIKOENLJNKRRBD-KRWDZBQOSA-N 1 0 338.451 4.123 20 30 EIEDRO C[N@H+](CCc1cccc(Cl)c1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC001195877133 1053513478 /nfs/dbraw/zinc/51/34/78/1053513478.db2.gz RPJXUGNCQRKCNG-KRWDZBQOSA-N 1 0 349.261 4.073 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000794839084 1053513718 /nfs/dbraw/zinc/51/37/18/1053513718.db2.gz YPAUVXFYPDARJX-IPJUCJBFSA-N 1 0 348.918 4.485 20 30 EIEDRO C[N@H+](CCCc1cccc2ccccc21)C[C@H](O)c1cccc(C#N)c1 ZINC001195877313 1053514919 /nfs/dbraw/zinc/51/49/19/1053514919.db2.gz UVFJQEXLEWPQFC-QHCPKHFHSA-N 1 0 344.458 4.309 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc2c(c1)CCO2 ZINC000765360823 1053515954 /nfs/dbraw/zinc/51/59/54/1053515954.db2.gz VYEIZOGAQNHTSR-HNNXBMFYSA-N 1 0 338.476 4.077 20 30 EIEDRO N#Cc1ccc(CC[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000851808548 1053520279 /nfs/dbraw/zinc/52/02/79/1053520279.db2.gz IKCJUCOSWROACB-UXHICEINSA-N 1 0 338.451 4.062 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OC)cc1 ZINC000765406325 1053537145 /nfs/dbraw/zinc/53/71/45/1053537145.db2.gz UXSDYHDEWYSIQY-AWEZNQCLSA-N 1 0 329.827 4.211 20 30 EIEDRO C=C(C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000765416137 1053538522 /nfs/dbraw/zinc/53/85/22/1053538522.db2.gz JWAIZCCSUJYDJU-KRWDZBQOSA-N 1 0 340.442 4.026 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1cccnc1Br)c1ccccc1 ZINC000865578442 1053550539 /nfs/dbraw/zinc/55/05/39/1053550539.db2.gz DXAZJYSUVKUOBR-MRXNPFEDSA-N 1 0 344.256 4.369 20 30 EIEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(OC(C)(C)C)CC2)c1O ZINC000120674751 1053563069 /nfs/dbraw/zinc/56/30/69/1053563069.db2.gz SCJVWWRIDWNOTL-UHFFFAOYSA-N 1 0 347.499 4.299 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2sc(C)c(C)c2c(N)n1 ZINC001196056211 1053564500 /nfs/dbraw/zinc/56/45/00/1053564500.db2.gz KUDGSCPPGUUJRO-KGLIPLIRSA-N 1 0 330.501 4.115 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000776587363 1053568719 /nfs/dbraw/zinc/56/87/19/1053568719.db2.gz MSZZVWHOQBXKPY-IRXDYDNUSA-N 1 0 349.519 4.180 20 30 EIEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001196047903 1053570783 /nfs/dbraw/zinc/57/07/83/1053570783.db2.gz HUYGPEDIRHSKQP-PKOBYXMFSA-N 1 0 348.531 4.147 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000865704449 1053575762 /nfs/dbraw/zinc/57/57/62/1053575762.db2.gz UBGKIQUTJGTBGI-RBDMOPTHSA-N 1 0 337.511 4.081 20 30 EIEDRO C#CCCCCCC[N@@H+]1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001196132705 1053586398 /nfs/dbraw/zinc/58/63/98/1053586398.db2.gz LQSOKXRTDSQIHY-JOCHJYFZSA-N 1 0 326.528 4.413 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000852587835 1053591253 /nfs/dbraw/zinc/59/12/53/1053591253.db2.gz HTZCWSKEZCXTOE-UHFFFAOYSA-N 1 0 341.499 4.094 20 30 EIEDRO CC(C)C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001196410890 1053665827 /nfs/dbraw/zinc/66/58/27/1053665827.db2.gz VEMRNLBHZLUTKF-FQEVSTJZSA-N 1 0 342.870 4.403 20 30 EIEDRO CC(C)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001196410891 1053666238 /nfs/dbraw/zinc/66/62/38/1053666238.db2.gz VEMRNLBHZLUTKF-HXUWFJFHSA-N 1 0 342.870 4.403 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1ccccc1CC(=O)OC)c1ccc(F)c(F)c1 ZINC000775723413 1053688566 /nfs/dbraw/zinc/68/85/66/1053688566.db2.gz KTWCXRMVFNCDAR-HXUWFJFHSA-N 1 0 345.389 4.087 20 30 EIEDRO N#Cc1ccccc1NC1CC[NH+](CCCCc2ccccc2)CC1 ZINC001196545341 1053697079 /nfs/dbraw/zinc/69/70/79/1053697079.db2.gz MZMQMBAXOQUPCU-UHFFFAOYSA-N 1 0 333.479 4.457 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(SC(F)(F)F)c1 ZINC000866342204 1053697361 /nfs/dbraw/zinc/69/73/61/1053697361.db2.gz BUGIOMRIGBEKFO-LLVKDONJSA-N 1 0 337.370 4.416 20 30 EIEDRO N#Cc1ccccc1NC1CC[NH+](CCc2ccccc2Cl)CC1 ZINC001196535377 1053697399 /nfs/dbraw/zinc/69/73/99/1053697399.db2.gz LJCAJAXPYQPCIU-UHFFFAOYSA-N 1 0 339.870 4.331 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2csc(C#N)c2)C1 ZINC000921535313 1053720410 /nfs/dbraw/zinc/72/04/10/1053720410.db2.gz JMBCDIJLLPXMOI-INIZCTEOSA-N 1 0 339.508 4.141 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cs1 ZINC000866449079 1053733424 /nfs/dbraw/zinc/73/34/24/1053733424.db2.gz QSSIUMPGDDDSCV-HNNXBMFYSA-N 1 0 325.481 4.248 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccnc1 ZINC000866448364 1053733878 /nfs/dbraw/zinc/73/38/78/1053733878.db2.gz DRERHHQDEASEOR-HXUWFJFHSA-N 1 0 334.467 4.053 20 30 EIEDRO C#Cc1cccc(NC(=O)N[C@@H](CC[NH+](CC)CC)c2ccccc2)c1 ZINC001196687586 1053737283 /nfs/dbraw/zinc/73/72/83/1053737283.db2.gz WMLGTMWLQIRFCI-NRFANRHFSA-N 1 0 349.478 4.263 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000921539902 1053744584 /nfs/dbraw/zinc/74/45/84/1053744584.db2.gz FODYGAUQZNBIRS-UHFFFAOYSA-N 1 0 348.494 4.096 20 30 EIEDRO N#CCCCC[NH+]1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC000854106219 1053757473 /nfs/dbraw/zinc/75/74/73/1053757473.db2.gz FCFUJKHMYLLPLM-UHFFFAOYSA-N 1 0 338.430 4.156 20 30 EIEDRO C[C@@H](C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCC1 ZINC001196810101 1053762222 /nfs/dbraw/zinc/76/22/22/1053762222.db2.gz ZXYRKQAGQFQJSU-AWEZNQCLSA-N 1 0 347.890 4.298 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC(F)F)cc1F)CC2 ZINC000866540828 1053775997 /nfs/dbraw/zinc/77/59/97/1053775997.db2.gz DWSWUJVDQFGSBH-QGZVFWFLSA-N 1 0 332.325 4.076 20 30 EIEDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866617099 1053807277 /nfs/dbraw/zinc/80/72/77/1053807277.db2.gz DYJOJYRCXHCOPW-PXAZEXFGSA-N 1 0 325.481 4.265 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776747080 1053825932 /nfs/dbraw/zinc/82/59/32/1053825932.db2.gz XJGAAYOMFPGXFH-KDOFPFPSSA-N 1 0 337.398 4.229 20 30 EIEDRO C[N@H+](CCSc1ccc(Cl)cc1)CCc1cccc(C#N)c1 ZINC001197114450 1053840138 /nfs/dbraw/zinc/84/01/38/1053840138.db2.gz HKVJZRLAHRUGIX-UHFFFAOYSA-N 1 0 330.884 4.478 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000121836041 1053851030 /nfs/dbraw/zinc/85/10/30/1053851030.db2.gz AXHFOKYSCBACOZ-MSOLQXFVSA-N 1 0 345.446 4.296 20 30 EIEDRO Cc1csc(C2([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CCCC2)n1 ZINC000112711098 1053852165 /nfs/dbraw/zinc/85/21/65/1053852165.db2.gz HZEDXOUMKVIZLV-HNNXBMFYSA-N 1 0 341.480 4.302 20 30 EIEDRO C[N@H+](Cc1ccc2cc[nH]c2c1)Cc1cc(Cl)ccc1OCC#N ZINC001197203924 1053853200 /nfs/dbraw/zinc/85/32/00/1053853200.db2.gz WKPSPJYHWYPYCR-UHFFFAOYSA-N 1 0 339.826 4.356 20 30 EIEDRO C=CC[C@H]1N(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCCC1(C)C ZINC000868180540 1053882866 /nfs/dbraw/zinc/88/28/66/1053882866.db2.gz QKRFTYQXMCKTGV-RCCFBDPRSA-N 1 0 327.472 4.100 20 30 EIEDRO N#Cc1cc(C[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)cs1 ZINC000921583701 1053899970 /nfs/dbraw/zinc/89/99/70/1053899970.db2.gz YSYSHSGSGKKJFH-UHFFFAOYSA-N 1 0 346.883 4.111 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000113322346 1053923116 /nfs/dbraw/zinc/92/31/16/1053923116.db2.gz GIRBFXCVECRKBJ-AWEZNQCLSA-N 1 0 331.362 4.151 20 30 EIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000776814369 1053932499 /nfs/dbraw/zinc/93/24/99/1053932499.db2.gz CTYBPEQGWJYGSK-AWEZNQCLSA-N 1 0 337.448 4.288 20 30 EIEDRO C[C@@H](C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)(C)C ZINC001197604140 1053954582 /nfs/dbraw/zinc/95/45/82/1053954582.db2.gz ZSZYGYVXQCDBQW-ZDUSSCGKSA-N 1 0 347.528 4.051 20 30 EIEDRO C[C@@H]([NH2+]CCC1(C(=O)OC(C)(C)C)CCC1)c1cccc(C#N)c1 ZINC001197683207 1053973768 /nfs/dbraw/zinc/97/37/68/1053973768.db2.gz UVGZSUCBPWJPQW-OAHLLOKOSA-N 1 0 328.456 4.111 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H](C1CC1)[N@H+](Cc1cccc(C#N)c1)CC2 ZINC001197701713 1053975461 /nfs/dbraw/zinc/97/54/61/1053975461.db2.gz OIPDCDKYDXRZCC-JOCHJYFZSA-N 1 0 348.446 4.085 20 30 EIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)ccc1F ZINC001197882875 1054014320 /nfs/dbraw/zinc/01/43/20/1054014320.db2.gz ZYPRSUQWPTXWCL-CQSZACIVSA-N 1 0 341.455 4.022 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000113952598 1054026754 /nfs/dbraw/zinc/02/67/54/1054026754.db2.gz GBKMPUOECARZIJ-CZUORRHYSA-N 1 0 330.378 4.497 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)cc1 ZINC000113961401 1054033934 /nfs/dbraw/zinc/03/39/34/1054033934.db2.gz WYPUICUTZWGDOS-FQEVSTJZSA-N 1 0 348.446 4.059 20 30 EIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)c1 ZINC000113961724 1054034220 /nfs/dbraw/zinc/03/42/20/1054034220.db2.gz KYMZCJQIZFVSKA-LJQANCHMSA-N 1 0 336.435 4.222 20 30 EIEDRO C#CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)[C@H]1CCCc2ccccc21 ZINC001198103626 1054078726 /nfs/dbraw/zinc/07/87/26/1054078726.db2.gz IXEUEBHYVIAIRX-QFIPXVFZSA-N 1 0 342.442 4.453 20 30 EIEDRO N#Cc1cc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)cs1 ZINC000921634914 1054243770 /nfs/dbraw/zinc/24/37/70/1054243770.db2.gz NOMNQWSAPMNHRJ-UHFFFAOYSA-N 1 0 327.453 4.016 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000123914556 1054329390 /nfs/dbraw/zinc/32/93/90/1054329390.db2.gz YRJWQCRTZPPUOE-MOPGFXCFSA-N 1 0 326.415 4.108 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccc(C#N)s1)CCCC2 ZINC000872080124 1054380306 /nfs/dbraw/zinc/38/03/06/1054380306.db2.gz NWVMLFVYOIBLFY-QGZVFWFLSA-N 1 0 342.464 4.194 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 ZINC000872117784 1054398649 /nfs/dbraw/zinc/39/86/49/1054398649.db2.gz VQJRNPZDYLJIIO-UHFFFAOYSA-N 1 0 331.769 4.316 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000872125333 1054403437 /nfs/dbraw/zinc/40/34/37/1054403437.db2.gz ZALAGEJASFNWTQ-XJKSGUPXSA-N 1 0 347.434 4.345 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000872140515 1054412942 /nfs/dbraw/zinc/41/29/42/1054412942.db2.gz PSLNUDZGDCXLAO-QRTARXTBSA-N 1 0 325.481 4.356 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc(OC)c1O ZINC000872261454 1054428037 /nfs/dbraw/zinc/42/80/37/1054428037.db2.gz FHXRFYRBRPOAEE-IBGZPJMESA-N 1 0 345.483 4.053 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000858172028 1054431047 /nfs/dbraw/zinc/43/10/47/1054431047.db2.gz HGMJMFIMYQCAEQ-UHFFFAOYSA-N 1 0 325.355 4.069 20 30 EIEDRO C=CCC[C@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000776002511 1054437430 /nfs/dbraw/zinc/43/74/30/1054437430.db2.gz FBVCXQIODQHWRY-PXNSSMCTSA-N 1 0 325.452 4.283 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776012674 1054444425 /nfs/dbraw/zinc/44/44/25/1054444425.db2.gz INULANRJXJZZKO-XJKCOSOUSA-N 1 0 326.362 4.140 20 30 EIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000858259181 1054449450 /nfs/dbraw/zinc/44/94/50/1054449450.db2.gz VUDBNQWMBANSOQ-IHPCNDPISA-N 1 0 344.499 4.441 20 30 EIEDRO N#Cc1ccc(OC2CCN(c3cc[nH+]cc3C3CC3)CC2)c(F)c1 ZINC000872546113 1054452540 /nfs/dbraw/zinc/45/25/40/1054452540.db2.gz QSIJYVDOIDFSSE-UHFFFAOYSA-N 1 0 337.398 4.018 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](OC)C(F)(F)F)cc1 ZINC000777014178 1054452883 /nfs/dbraw/zinc/45/28/83/1054452883.db2.gz ZTEDNEHVVAMVGZ-FZMZJTMJSA-N 1 0 337.769 4.046 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](OC)C(F)(F)F)cc1 ZINC000777014179 1054453788 /nfs/dbraw/zinc/45/37/88/1054453788.db2.gz ZTEDNEHVVAMVGZ-RISCZKNCSA-N 1 0 337.769 4.046 20 30 EIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Br)cc1O ZINC000282161495 1054461501 /nfs/dbraw/zinc/46/15/01/1054461501.db2.gz DKDPNKBRACDXHS-HIFPTAJRSA-N 1 0 337.261 4.135 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(C#N)cc1 ZINC000552881376 1054485232 /nfs/dbraw/zinc/48/52/32/1054485232.db2.gz VAFXEWRBLKCDSP-KBPBESRZSA-N 1 0 333.435 4.200 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cc(-c3ccc(F)cc3F)on2)CC1 ZINC000873176495 1054501464 /nfs/dbraw/zinc/50/14/64/1054501464.db2.gz PSLXLTDDCNSYRB-UHFFFAOYSA-N 1 0 331.366 4.182 20 30 EIEDRO COc1ccccc1CC(C)(C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000105494946 1054528580 /nfs/dbraw/zinc/52/85/80/1054528580.db2.gz NKGVXZSKXPNLPJ-MRXNPFEDSA-N 1 0 338.451 4.097 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000859562170 1054698370 /nfs/dbraw/zinc/69/83/70/1054698370.db2.gz JZNLEQQHBKBLPY-IBGZPJMESA-N 1 0 341.842 4.268 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC2CCC(C#N)CC2)ccc1OC ZINC000282242876 1054764421 /nfs/dbraw/zinc/76/44/21/1054764421.db2.gz GCZLRSJUBIJGPO-UHFFFAOYSA-N 1 0 328.456 4.070 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC001168585608 1054767195 /nfs/dbraw/zinc/76/71/95/1054767195.db2.gz ICCAPXODRDRRLV-NYSBEXSLSA-N 1 0 336.435 4.138 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1SCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000776162144 1054771682 /nfs/dbraw/zinc/77/16/82/1054771682.db2.gz BZMSJZOFGILRGD-MGPUTAFESA-N 1 0 338.476 4.270 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2ccc(Br)c(C#N)c2)c1 ZINC001201399257 1054775535 /nfs/dbraw/zinc/77/55/35/1054775535.db2.gz BNGSGHUAJFPNFF-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO CCCCCCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000776165410 1054792534 /nfs/dbraw/zinc/79/25/34/1054792534.db2.gz ZZTWODICWGRROC-UHFFFAOYSA-N 1 0 327.516 4.473 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@@H](OC)C2(CC)CC)c1 ZINC000776165485 1054793494 /nfs/dbraw/zinc/79/34/94/1054793494.db2.gz RDUWTXLUSGIJFV-NZSAHSFTSA-N 1 0 330.472 4.051 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H]3CC=CCC3)CC2)cc1Cl ZINC001201421923 1054794301 /nfs/dbraw/zinc/79/43/01/1054794301.db2.gz DTMYGTNXGQURAN-HNNXBMFYSA-N 1 0 330.859 4.411 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC001201449778 1054812021 /nfs/dbraw/zinc/81/20/21/1054812021.db2.gz KOUQPGZSDPPHED-BJMVHTGZSA-N 1 0 327.472 4.202 20 30 EIEDRO N#Cc1cccc(F)c1N=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201474368 1054826918 /nfs/dbraw/zinc/82/69/18/1054826918.db2.gz FFYPPKRQNVPSLR-MOPGFXCFSA-N 1 0 333.410 4.430 20 30 EIEDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000125824037 1054868820 /nfs/dbraw/zinc/86/88/20/1054868820.db2.gz HCMLQVNMJIISLV-KRWDZBQOSA-N 1 0 337.467 4.238 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCCS2)cc1OC ZINC001201627503 1054870085 /nfs/dbraw/zinc/87/00/85/1054870085.db2.gz YVOIBNMFVXTTCM-AWEZNQCLSA-N 1 0 341.904 4.289 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CCCc1ccccc1)[C@H]2CC ZINC001201661403 1054879340 /nfs/dbraw/zinc/87/93/40/1054879340.db2.gz PUUVMTZHUPJYLI-UNMCSNQZSA-N 1 0 340.511 4.041 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001201762461 1054899297 /nfs/dbraw/zinc/89/92/97/1054899297.db2.gz LWGRBNZDDLUPFW-VQTJNVASSA-N 1 0 332.488 4.054 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@H]2O[C@@H](COCc3cccnc3)CC[C@H]21 ZINC001201762312 1054900621 /nfs/dbraw/zinc/90/06/21/1054900621.db2.gz FNEHDAFYVJCODV-NJDAHSKKSA-N 1 0 346.515 4.191 20 30 EIEDRO CCCCCCCC[N@H+]1Cc2nn(C)cc2[C@H](COCC2CC2)C1 ZINC001201815185 1054914475 /nfs/dbraw/zinc/91/44/75/1054914475.db2.gz YMVCDIWIXOXHME-SFHVURJKSA-N 1 0 333.520 4.106 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1ccccc1 ZINC001201776828 1054914601 /nfs/dbraw/zinc/91/46/01/1054914601.db2.gz MXELLZCVNHTCMZ-LJQANCHMSA-N 1 0 328.500 4.095 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CN(c3cccc(F)c3)C2=O)CC1 ZINC001201776698 1054914673 /nfs/dbraw/zinc/91/46/73/1054914673.db2.gz ILACYIFFZDNRJM-UHFFFAOYSA-N 1 0 332.463 4.225 20 30 EIEDRO CCCCCCC[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC001201776794 1054915961 /nfs/dbraw/zinc/91/59/61/1054915961.db2.gz LQNMTTPHYSRZLY-HXUWFJFHSA-N 1 0 346.515 4.192 20 30 EIEDRO CCCCCCC[N@@H+]1C[C@H](c2ccccc2)[C@]2(CCN(CC)C2=O)C1 ZINC001201776878 1054917931 /nfs/dbraw/zinc/91/79/31/1054917931.db2.gz OULDWGPLUZNXML-IRLDBZIGSA-N 1 0 342.527 4.295 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC1)C(=O)N(C)[C@@H]2c1ccccc1 ZINC001201776864 1054918625 /nfs/dbraw/zinc/91/86/25/1054918625.db2.gz OIRINSQWYARASK-LJQANCHMSA-N 1 0 328.500 4.252 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC1)[C@H](c1ccccc1)CC(=O)N2C ZINC001201777217 1054918787 /nfs/dbraw/zinc/91/87/87/1054918787.db2.gz TYCADMKKXCAMDA-FQEVSTJZSA-N 1 0 342.527 4.437 20 30 EIEDRO CCCCCCCC[NH+]1CCC(N2c3ccccc3CC2=O)CC1 ZINC001201825621 1054926388 /nfs/dbraw/zinc/92/63/88/1054926388.db2.gz AVILTMPCKGOFOY-UHFFFAOYSA-N 1 0 328.500 4.401 20 30 EIEDRO C=CCOCc1nn(C)c2c1C[N@H+](CCCCCCCCC)CC2 ZINC001201839627 1054932320 /nfs/dbraw/zinc/93/23/20/1054932320.db2.gz ONBHTRMTAFLESJ-UHFFFAOYSA-N 1 0 333.520 4.231 20 30 EIEDRO C[C@H](CCC#N)C[NH+]1CCC([C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000876586824 1054933368 /nfs/dbraw/zinc/93/33/68/1054933368.db2.gz LHRDEQCTACPMME-AEFFLSMTSA-N 1 0 349.519 4.038 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001201840230 1054934786 /nfs/dbraw/zinc/93/47/86/1054934786.db2.gz XDTAKQVEDBLQSF-OAQYLSRUSA-N 1 0 343.515 4.261 20 30 EIEDRO CCCCCCCCC[NH+]1C[C@H]2CN(C(=O)c3ccco3)C[C@@H]2C1 ZINC001201846844 1054934955 /nfs/dbraw/zinc/93/49/55/1054934955.db2.gz NGNIDZRISDDKCZ-ROUUACIJSA-N 1 0 332.488 4.034 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000876637172 1054942741 /nfs/dbraw/zinc/94/27/41/1054942741.db2.gz IRQOTJLNNNXXKG-ZDUSSCGKSA-N 1 0 326.893 4.294 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(CSC(C)C)c1C ZINC000876678368 1054944715 /nfs/dbraw/zinc/94/47/15/1054944715.db2.gz LJUQDISBCSNGNU-AWEZNQCLSA-N 1 0 326.893 4.045 20 30 EIEDRO C=CCSCC[NH2+]Cc1oc2ccccc2c1Br ZINC001201938548 1054946310 /nfs/dbraw/zinc/94/63/10/1054946310.db2.gz HNKVFKMJGLYVSJ-UHFFFAOYSA-N 1 0 326.259 4.204 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000876793196 1054957786 /nfs/dbraw/zinc/95/77/86/1054957786.db2.gz IWHIPGZQHJLPTI-FUHWJXTLSA-N 1 0 328.481 4.224 20 30 EIEDRO COc1ccc(C[NH2+]CCCCCc2ccc(F)cc2)cc1C#N ZINC001202084195 1055023842 /nfs/dbraw/zinc/02/38/42/1055023842.db2.gz WAVHSOIZKZRBMW-UHFFFAOYSA-N 1 0 326.415 4.209 20 30 EIEDRO Cn1cc(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2ccc(F)cc21 ZINC001202092741 1055028510 /nfs/dbraw/zinc/02/85/10/1055028510.db2.gz NOFVXSLMLSHUOG-UHFFFAOYSA-N 1 0 347.437 4.205 20 30 EIEDRO C[C@H]1C[C@H](Nc2ccc(OCc3cccc(C#N)c3)cc2)CC[N@@H+]1C ZINC000877170167 1055030257 /nfs/dbraw/zinc/03/02/57/1055030257.db2.gz JFTGDACPNUPTKJ-OXJNMPFZSA-N 1 0 335.451 4.032 20 30 EIEDRO C#C[C@H]([NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)[C@H]1CCCO1 ZINC001202073480 1055035910 /nfs/dbraw/zinc/03/59/10/1055035910.db2.gz BPCHDSQINYQSDP-VQTJNVASSA-N 1 0 343.373 4.028 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cnn1-c1ccccc1 ZINC000777248676 1055050434 /nfs/dbraw/zinc/05/04/34/1055050434.db2.gz HETUYTFISAVBRQ-MRXNPFEDSA-N 1 0 342.446 4.392 20 30 EIEDRO C[C@H](CCC#N)C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000877472267 1055057659 /nfs/dbraw/zinc/05/76/59/1055057659.db2.gz NZBIERHJOLDZDW-QGZVFWFLSA-N 1 0 349.519 4.039 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)c1 ZINC000877484201 1055060971 /nfs/dbraw/zinc/06/09/71/1055060971.db2.gz XEELFIYMADKTOO-UHFFFAOYSA-N 1 0 343.780 4.352 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC001202184315 1055071372 /nfs/dbraw/zinc/07/13/72/1055071372.db2.gz QJZWBUYZUOAAGV-HNNXBMFYSA-N 1 0 348.288 4.388 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)CC[P@@](C)(=O)OCC)c1ccc(Cl)cc1 ZINC000877542405 1055077585 /nfs/dbraw/zinc/07/75/85/1055077585.db2.gz YGVVIBZCKRQICS-PCMMCCAGSA-N 1 0 327.792 4.327 20 30 EIEDRO C#CCCCCCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000877582830 1055086257 /nfs/dbraw/zinc/08/62/57/1055086257.db2.gz AITHRZWAUVGQDH-MRXNPFEDSA-N 1 0 331.422 4.251 20 30 EIEDRO C=C[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccccc1 ZINC001137123689 1055089341 /nfs/dbraw/zinc/08/93/41/1055089341.db2.gz TVRGRHYHGUSHLD-MOPGFXCFSA-N 1 0 342.870 4.029 20 30 EIEDRO COc1ccc([C@H]2C[C@@H]([NH2+]C34CCC(C#N)(CC3)CC4)CCO2)cc1 ZINC001168598199 1055093561 /nfs/dbraw/zinc/09/35/61/1055093561.db2.gz DHDZTJUOOPAFJM-GUSVMJMASA-N 1 0 340.467 4.121 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2ccccc2O)ccc1OC ZINC000877756239 1055115016 /nfs/dbraw/zinc/11/50/16/1055115016.db2.gz AAIFKRYSISCFLL-OAHLLOKOSA-N 1 0 327.424 4.207 20 30 EIEDRO CC1([NH+]2CCCCC2)CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000877794680 1055123456 /nfs/dbraw/zinc/12/34/56/1055123456.db2.gz PPKUTBMGCWJBHT-UHFFFAOYSA-N 1 0 337.511 4.082 20 30 EIEDRO C#CCCC[NH2+]Cc1ccc(Br)cc1SC(C)C ZINC001202289083 1055126646 /nfs/dbraw/zinc/12/66/46/1055126646.db2.gz NZHHIZMLWSYKTK-UHFFFAOYSA-N 1 0 326.303 4.453 20 30 EIEDRO CC(N=Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](C)CC1 ZINC000863160571 1055154053 /nfs/dbraw/zinc/15/40/53/1055154053.db2.gz KNOGYBNGQQSBPC-UHFFFAOYSA-N 1 0 337.467 4.395 20 30 EIEDRO CCc1ccc(C[N@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)cc1 ZINC000877932439 1055157357 /nfs/dbraw/zinc/15/73/57/1055157357.db2.gz GPYQAZRGKBKKKY-QFIPXVFZSA-N 1 0 334.463 4.121 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)C[C@@H](C)c1ccccc1)c1ccccc1 ZINC000878044468 1055179154 /nfs/dbraw/zinc/17/91/54/1055179154.db2.gz PFISORDNKOJTSL-XMSQKQJNSA-N 1 0 334.463 4.163 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000878109170 1055190036 /nfs/dbraw/zinc/19/00/36/1055190036.db2.gz NEHYTLHSNXOXOQ-QTGUNEKASA-N 1 0 346.474 4.305 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000878120784 1055192109 /nfs/dbraw/zinc/19/21/09/1055192109.db2.gz PGLSVHYKFCWZOH-CVDCTZTESA-N 1 0 348.490 4.299 20 30 EIEDRO Cc1nc(C)c([C@H](C)[N@H+](C)CCCOc2ccc(C#N)cc2)s1 ZINC000106874928 1055196598 /nfs/dbraw/zinc/19/65/98/1055196598.db2.gz XGMXYSYCZMTBGH-AWEZNQCLSA-N 1 0 329.469 4.094 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cnc(CCc3ccccc3)s2)cc1 ZINC001202475594 1055291037 /nfs/dbraw/zinc/29/10/37/1055291037.db2.gz YLLSQSCADIYQDM-UHFFFAOYSA-N 1 0 332.472 4.199 20 30 EIEDRO CC(C)[NH+]1CCC(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000073496629 1055309516 /nfs/dbraw/zinc/30/95/16/1055309516.db2.gz FHLBDXYGGPWUNT-HNNXBMFYSA-N 1 0 345.512 4.140 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000106038586 1055623653 /nfs/dbraw/zinc/62/36/53/1055623653.db2.gz PBALKPAXXJZANR-UHFFFAOYSA-N 1 0 346.858 4.165 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C)nc1N1CCCC1)c1ccc(C#N)cc1 ZINC000618573763 1055782323 /nfs/dbraw/zinc/78/23/23/1055782323.db2.gz BNFGPOQRRXUUCO-HXUWFJFHSA-N 1 0 334.467 4.103 20 30 EIEDRO CCCC[NH+]1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301328389 1055921503 /nfs/dbraw/zinc/92/15/03/1055921503.db2.gz AIIUOPVBIUYCMH-UHFFFAOYSA-N 1 0 325.378 4.253 20 30 EIEDRO C[C@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000301510648 1055944306 /nfs/dbraw/zinc/94/43/06/1055944306.db2.gz BHNKUKHPGIYWCU-HOCLYGCPSA-N 1 0 340.858 4.072 20 30 EIEDRO N#Cc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c2ccccc2n1 ZINC000301553812 1055949106 /nfs/dbraw/zinc/94/91/06/1055949106.db2.gz RJGIRHZCUQKPSZ-SFHVURJKSA-N 1 0 348.494 4.199 20 30 EIEDRO CC1CC[NH+](C[C@@H]2CCCN(c3c(C#N)cnc4ccccc43)C2)CC1 ZINC000301997530 1056007424 /nfs/dbraw/zinc/00/74/24/1056007424.db2.gz ULBPXHDLHFYQAU-SFHVURJKSA-N 1 0 348.494 4.055 20 30 EIEDRO CC(=O)c1ccc(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000302134389 1056021010 /nfs/dbraw/zinc/02/10/10/1056021010.db2.gz ZJTYQQKSSAOKAZ-KKSFZXQISA-N 1 0 347.462 4.226 20 30 EIEDRO CC1CCN(c2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)CC1 ZINC000921716344 1056124091 /nfs/dbraw/zinc/12/40/91/1056124091.db2.gz MCLQHDGLUPTZEJ-UHFFFAOYSA-N 1 0 325.481 4.146 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1Br ZINC000091469183 1056153843 /nfs/dbraw/zinc/15/38/43/1056153843.db2.gz WDIBWVUGWLUUDM-ZDUSSCGKSA-N 1 0 329.241 4.480 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([N@H+](CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653662 1056160330 /nfs/dbraw/zinc/16/03/30/1056160330.db2.gz NJGWTVGXRCHRQG-UYAOXDASSA-N 1 0 328.456 4.074 20 30 EIEDRO C[C@H](CNc1ccc(C#N)c(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000303483343 1056198607 /nfs/dbraw/zinc/19/86/07/1056198607.db2.gz UEQUYMDECCMAHI-CYBMUJFWSA-N 1 0 325.378 4.111 20 30 EIEDRO N#Cc1cnc2ccccc2c1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303777669 1056288604 /nfs/dbraw/zinc/28/86/04/1056288604.db2.gz KGBMGJDETQBCCR-LJQANCHMSA-N 1 0 342.446 4.183 20 30 EIEDRO N#Cc1c(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cn2ccccc12 ZINC000554835236 1056374831 /nfs/dbraw/zinc/37/48/31/1056374831.db2.gz PUYYFHVMOWUOJU-QGZVFWFLSA-N 1 0 347.384 4.365 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1OC)c1ccccc1 ZINC001168657947 1056377513 /nfs/dbraw/zinc/37/75/13/1056377513.db2.gz SMMAFKRJOIGSEM-IBGZPJMESA-N 1 0 339.435 4.279 20 30 EIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)nc(-c2ccc(Cl)cc2)n1 ZINC000542879620 1056398921 /nfs/dbraw/zinc/39/89/21/1056398921.db2.gz OYPVKQRZFBZAGV-UHFFFAOYSA-N 1 0 340.858 4.231 20 30 EIEDRO CC1CCC(Oc2cc(C[NH2+]Cc3ccc(C#N)cc3)ccn2)CC1 ZINC000073005667 1056517800 /nfs/dbraw/zinc/51/78/00/1056517800.db2.gz WIIOWAFBBQBDQW-UHFFFAOYSA-N 1 0 335.451 4.201 20 30 EIEDRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934724 1056796448 /nfs/dbraw/zinc/79/64/48/1056796448.db2.gz SLWSBAWIHXJGGM-IAGOWNOFSA-N 1 0 349.478 4.131 20 30 EIEDRO COc1ccc(C[NH2+]CCCCOc2ccc(Cl)cc2)cc1C#N ZINC000742369315 1058595809 /nfs/dbraw/zinc/59/58/09/1058595809.db2.gz UKMFWYNSKOGACJ-UHFFFAOYSA-N 1 0 344.842 4.169 20 30 EIEDRO COc1ccc(C[NH2+]CCOc2cccc(C(C)(C)C)c2)cc1C#N ZINC000742371439 1058598676 /nfs/dbraw/zinc/59/86/76/1058598676.db2.gz XJNNMKZOAPGKDA-UHFFFAOYSA-N 1 0 338.451 4.033 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1 ZINC000742710027 1058717604 /nfs/dbraw/zinc/71/76/04/1058717604.db2.gz AQISHBNBKJKJHS-JTHBVZDNSA-N 1 0 349.474 4.265 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)[C@@H](O)c2c(F)cccc2F)cc1 ZINC000742711851 1058720813 /nfs/dbraw/zinc/72/08/13/1058720813.db2.gz BHAAIQDXCNUATN-UYAOXDASSA-N 1 0 347.405 4.131 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743262267 1058909473 /nfs/dbraw/zinc/90/94/73/1058909473.db2.gz SNNBBRZMURKWIV-LJQANCHMSA-N 1 0 331.843 4.070 20 30 EIEDRO CCCCCC[C@@H](C)NN=C1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000743450173 1058996829 /nfs/dbraw/zinc/99/68/29/1058996829.db2.gz HDKXASDZBQPPQB-QZTJIDSGSA-N 1 0 330.520 4.228 20 30 EIEDRO Cc1ccc2c(C[NH2+][C@@H](C)c3cccc(C#N)c3)cc(=O)oc2c1C ZINC000743490625 1059032088 /nfs/dbraw/zinc/03/20/88/1059032088.db2.gz KSMJQENYPPMDFH-HNNXBMFYSA-N 1 0 332.403 4.132 20 30 EIEDRO CCc1ccccc1NN=C(C)c1cccc(OCC[NH+](C)C)c1 ZINC000743531349 1059038067 /nfs/dbraw/zinc/03/80/67/1059038067.db2.gz RQDOCHJUBOABHF-UHFFFAOYSA-N 1 0 325.456 4.026 20 30 EIEDRO CC(=NNc1cc(C)cc(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000743525566 1059038758 /nfs/dbraw/zinc/03/87/58/1059038758.db2.gz GWVMZRGVRMWRLD-UHFFFAOYSA-N 1 0 325.456 4.080 20 30 EIEDRO CC(=NNc1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000743525443 1059039122 /nfs/dbraw/zinc/03/91/22/1059039122.db2.gz DSFHGKPHMAVNPM-UHFFFAOYSA-N 1 0 331.847 4.117 20 30 EIEDRO NC(=[NH+]OC/C=C/c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000744445660 1059516823 /nfs/dbraw/zinc/51/68/23/1059516823.db2.gz DLVMERAQFQFVFP-JXMROGBWSA-N 1 0 335.451 4.027 20 30 EIEDRO CC(C)[NH+]1CCC(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000746104176 1060026205 /nfs/dbraw/zinc/02/62/05/1060026205.db2.gz GEBHQNGTYDGDME-UHFFFAOYSA-N 1 0 348.446 4.251 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000746151502 1060048060 /nfs/dbraw/zinc/04/80/60/1060048060.db2.gz BZEBJUHYOKPMSE-FQEVSTJZSA-N 1 0 344.405 4.028 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1(CC)CC ZINC000749297323 1060289066 /nfs/dbraw/zinc/28/90/66/1060289066.db2.gz YQSJJVMELBIWKM-ATZDWAIDSA-N 1 0 330.472 4.051 20 30 EIEDRO N#CC1(c2ccc(-n3cnc4ccc(C[NH3+])cc43)cc2)CCCCC1 ZINC001168847894 1060481645 /nfs/dbraw/zinc/48/16/45/1060481645.db2.gz MBCZPBMDIQCWPD-UHFFFAOYSA-N 1 0 330.435 4.210 20 30 EIEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC001168903307 1060512715 /nfs/dbraw/zinc/51/27/15/1060512715.db2.gz RCXDDGCTMBWMRM-FQEVSTJZSA-N 1 0 341.499 4.099 20 30 EIEDRO CC1(C)C[C@H](Nc2cc(Cl)nc3[nH]cc(C#N)c32)C[C@@](C)(C[NH3+])C1 ZINC001169145109 1060663033 /nfs/dbraw/zinc/66/30/33/1060663033.db2.gz SAOFSWLXCWBYDT-KPZWWZAWSA-N 1 0 345.878 4.044 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1ccc(F)c(F)c1 ZINC001169474080 1060833083 /nfs/dbraw/zinc/83/30/83/1060833083.db2.gz QXPPSNGEEXUVAS-FQEVSTJZSA-N 1 0 344.405 4.225 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC001169536282 1060849377 /nfs/dbraw/zinc/84/93/77/1060849377.db2.gz AEFKTRGEYWKXLY-QGZVFWFLSA-N 1 0 339.508 4.115 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)C(=O)N(CCC#N)c1ccccc1 ZINC001169565378 1060860281 /nfs/dbraw/zinc/86/02/81/1060860281.db2.gz COMCAWYWHJLRLP-ZIFCJYIRSA-N 1 0 341.499 4.126 20 30 EIEDRO N#CC1(CC[NH2+][C@@]2(Cc3ccc(Cl)cc3)CCOC2)CCCCC1 ZINC001169644141 1060895058 /nfs/dbraw/zinc/89/50/58/1060895058.db2.gz LNNKYOJZILLCJK-HXUWFJFHSA-N 1 0 346.902 4.495 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC23CCC(C#N)(CC2)CC3)nc1 ZINC001169748388 1060925741 /nfs/dbraw/zinc/92/57/41/1060925741.db2.gz XFZXMJCWOAGITO-MDMXATFFSA-N 1 0 338.499 4.484 20 30 EIEDRO C#CC[N@@H+](CCCC(=O)Nc1c(C)cccc1C)C1CCCCC1 ZINC000766864616 1061004084 /nfs/dbraw/zinc/00/40/84/1061004084.db2.gz WPFLIPLDYQIEPM-UHFFFAOYSA-N 1 0 326.484 4.290 20 30 EIEDRO N#Cc1cccc(OCC[N@H+]2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC001169901271 1061024076 /nfs/dbraw/zinc/02/40/76/1061024076.db2.gz RHLTVKKRXJBPQU-UHFFFAOYSA-N 1 0 338.838 4.380 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC001169900513 1061024514 /nfs/dbraw/zinc/02/45/14/1061024514.db2.gz MXLZVVKVXXNOEO-JXFKEZNVSA-N 1 0 339.870 4.283 20 30 EIEDRO C[C@@H](C1CCCCC1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001169934266 1061038777 /nfs/dbraw/zinc/03/87/77/1061038777.db2.gz ZBYBYKOOADXONY-AWEZNQCLSA-N 1 0 347.890 4.441 20 30 EIEDRO Cc1cc(C)c(NC(=O)CCC[N@H+](CCC#N)CC(C)C)c(C)c1 ZINC000766897977 1061058017 /nfs/dbraw/zinc/05/80/17/1061058017.db2.gz UVXIZTPPKQSTHN-UHFFFAOYSA-N 1 0 329.488 4.202 20 30 EIEDRO CCc1ccc([C@H]([NH2+]CC(=O)Nc2sccc2C#N)C(C)C)cc1 ZINC000067445821 215147239 /nfs/dbraw/zinc/14/72/39/215147239.db2.gz OXBOMJTZFNDZQR-GOSISDBHSA-N 1 0 341.480 4.108 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(Br)c1 ZINC000038012534 213188741 /nfs/dbraw/zinc/18/87/41/213188741.db2.gz HIYZDFAABNGJIZ-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(Br)c1 ZINC000038012535 213188823 /nfs/dbraw/zinc/18/88/23/213188823.db2.gz PUWWIHVRGAQYOM-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO Cc1sc(NC(=O)C[N@H+](Cc2ccccc2)C(C)C)c(C#N)c1C ZINC000096970079 218907675 /nfs/dbraw/zinc/90/76/75/218907675.db2.gz DUZJYQZAJLXJGX-UHFFFAOYSA-N 1 0 341.480 4.086 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1OC ZINC000013721158 258017113 /nfs/dbraw/zinc/01/71/13/258017113.db2.gz RRRQPIITIZMDRS-UHFFFAOYSA-N 1 0 331.843 4.246 20 30 EIEDRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N(CCC#N)C2CCCC2)nc1 ZINC001165017268 721835992 /nfs/dbraw/zinc/83/59/92/721835992.db2.gz JRNKVZBEPIHXTL-LJQANCHMSA-N 1 0 326.488 4.291 20 30 EIEDRO CC[NH+](CC)C1CCN(c2nc3ccccc3c(Cl)c2C#N)CC1 ZINC001165052766 722005278 /nfs/dbraw/zinc/00/52/78/722005278.db2.gz ASMBOPZCDMOCRJ-UHFFFAOYSA-N 1 0 342.874 4.070 20 30 EIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000729685222 1032161618 /nfs/dbraw/zinc/16/16/18/1032161618.db2.gz YPOYFUHLJANOGY-YWZLYKJASA-N 1 0 336.435 4.153 20 30 EIEDRO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000450000159 1032190179 /nfs/dbraw/zinc/19/01/79/1032190179.db2.gz RPVBUYQGVXAWAS-HXUWFJFHSA-N 1 0 340.511 4.103 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000195252376 1032215649 /nfs/dbraw/zinc/21/56/49/1032215649.db2.gz QORGCQRFTBIJKO-VXKWHMMOSA-N 1 0 349.478 4.046 20 30 EIEDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000237056706 1032216018 /nfs/dbraw/zinc/21/60/18/1032216018.db2.gz HAABKRSNTSRMNY-FUHWJXTLSA-N 1 0 330.472 4.436 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[C@]2(C)c2cccs2)cc1 ZINC000360092417 1032240394 /nfs/dbraw/zinc/24/03/94/1032240394.db2.gz JDBNYOLOPYCUNZ-OGWOLHLISA-N 1 0 326.465 4.106 20 30 EIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC1(C#N)CCOCC1 ZINC000282037554 1032254319 /nfs/dbraw/zinc/25/43/19/1032254319.db2.gz QRYQRTXICJJQRO-LJQANCHMSA-N 1 0 332.463 4.083 20 30 EIEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000532744741 1032281107 /nfs/dbraw/zinc/28/11/07/1032281107.db2.gz WNWVCRVMIWDNIL-HXUWFJFHSA-N 1 0 333.435 4.032 20 30 EIEDRO COc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000262793004 1032304837 /nfs/dbraw/zinc/30/48/37/1032304837.db2.gz LEQSJGDPDKSANP-SAZUREKKSA-N 1 0 329.831 4.021 20 30 EIEDRO CC(C)(C)N1CC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001625956491 1032313833 /nfs/dbraw/zinc/31/38/33/1032313833.db2.gz GWDIHIPRPIWFFO-IBGZPJMESA-N 1 0 349.434 4.162 20 30 EIEDRO C[C@H](C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccc(F)cc1 ZINC000529681165 1032528595 /nfs/dbraw/zinc/52/85/95/1032528595.db2.gz WFFRNZQLWYLWPU-MRXNPFEDSA-N 1 0 338.426 4.096 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccccc2)c1 ZINC000508639265 1032574180 /nfs/dbraw/zinc/57/41/80/1032574180.db2.gz MTVBPJWQNLZJHE-UHFFFAOYSA-N 1 0 349.478 4.075 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000180948077 1032630133 /nfs/dbraw/zinc/63/01/33/1032630133.db2.gz QVEIQBWKKIJNIA-CJNGLKHVSA-N 1 0 326.278 4.471 20 30 EIEDRO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246116714 1032709653 /nfs/dbraw/zinc/70/96/53/1032709653.db2.gz RETYONIMDPHWBN-WMZOPIPTSA-N 1 0 332.513 4.016 20 30 EIEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000274737185 1019091727 /nfs/dbraw/zinc/09/17/27/1019091727.db2.gz IDRJYPWTERJJKS-UONOGXRCSA-N 1 0 333.501 4.044 20 30 EIEDRO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000051429026 1032828290 /nfs/dbraw/zinc/82/82/90/1032828290.db2.gz MUWOWHQPZNUPTQ-SFHVURJKSA-N 1 0 349.459 4.384 20 30 EIEDRO FC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204428063 1019674432 /nfs/dbraw/zinc/67/44/32/1019674432.db2.gz BTFDUYHQJMHZIP-LBPRGKRZSA-N 1 0 345.258 4.309 20 30 EIEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000274807093 1019680150 /nfs/dbraw/zinc/68/01/50/1019680150.db2.gz SEXKXDSUOYQVRV-UONOGXRCSA-N 1 0 333.501 4.186 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000429826989 1032850456 /nfs/dbraw/zinc/85/04/56/1032850456.db2.gz QBJFLHOYAWQNRY-UHFFFAOYSA-N 1 0 328.500 4.137 20 30 EIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000339660300 1019784020 /nfs/dbraw/zinc/78/40/20/1019784020.db2.gz WVJFXXUQBVEJPT-LJQANCHMSA-N 1 0 348.425 4.020 20 30 EIEDRO C#C[C@H](NC(=O)CCC[NH+](CCC)CCC)c1ccc(Cl)cc1 ZINC001625821677 1019879130 /nfs/dbraw/zinc/87/91/30/1019879130.db2.gz QBOAUKRBQOTRTA-SFHVURJKSA-N 1 0 334.891 4.033 20 30 EIEDRO COc1cc(C#N)ccc1C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC001167094432 1019916459 /nfs/dbraw/zinc/91/64/59/1019916459.db2.gz PJWBIZKHWMRSOQ-UHFFFAOYSA-N 1 0 344.842 4.121 20 30 EIEDRO COc1ccc(C#N)cc1C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC001167094638 1019925646 /nfs/dbraw/zinc/92/56/46/1019925646.db2.gz XCMTWTSVQKJZHC-UHFFFAOYSA-N 1 0 344.842 4.121 20 30 EIEDRO Cc1cccn2cc(COc3ccc(C[NH2+]CCCCC#N)cc3)nc12 ZINC000237777038 1032883974 /nfs/dbraw/zinc/88/39/74/1032883974.db2.gz ZLDSEYODNSQGNO-UHFFFAOYSA-N 1 0 348.450 4.005 20 30 EIEDRO C=CC[N@@H+](CCSc1cccc(OC)c1)Cc1ccc(OC)cc1 ZINC001167115759 1020215947 /nfs/dbraw/zinc/21/59/47/1020215947.db2.gz JEZMXCOTSJEJFD-UHFFFAOYSA-N 1 0 343.492 4.484 20 30 EIEDRO N#CCCn1cc(C[NH2+][C@H]2CCc3ccccc32)c(-c2ccccc2)n1 ZINC000237832959 1032885759 /nfs/dbraw/zinc/88/57/59/1032885759.db2.gz QTUHXAMBZRPOLW-NRFANRHFSA-N 1 0 342.446 4.241 20 30 EIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000134916828 1020265835 /nfs/dbraw/zinc/26/58/35/1020265835.db2.gz FJKLWQSNJNZRHK-CHWSQXEVSA-N 1 0 328.435 4.369 20 30 EIEDRO C[NH2+]Cc1cn(-c2nccc3ccc(C#N)cc32)c2ccc(C)cc12 ZINC001167123547 1020269554 /nfs/dbraw/zinc/26/95/54/1020269554.db2.gz LNVLQOJYPMNCNP-UHFFFAOYSA-N 1 0 326.403 4.078 20 30 EIEDRO CCCC[NH+]1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302326629 1020548502 /nfs/dbraw/zinc/54/85/02/1020548502.db2.gz YKXDQTRTJBSQEO-UHFFFAOYSA-N 1 0 325.378 4.253 20 30 EIEDRO C=CC[N@@H+](Cc1ccc([Si](C)(C)C)cc1)Cc1cccc(C#N)c1 ZINC001167251891 1020676833 /nfs/dbraw/zinc/67/68/33/1020676833.db2.gz MZIYPMOHXGUEAU-UHFFFAOYSA-N 1 0 334.539 4.292 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)s1 ZINC000176959152 1020940035 /nfs/dbraw/zinc/94/00/35/1020940035.db2.gz UNXLOYUCQACNTI-UHFFFAOYSA-N 1 0 339.395 4.236 20 30 EIEDRO Cc1cc(C)c(C#N)c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000610281353 1020965744 /nfs/dbraw/zinc/96/57/44/1020965744.db2.gz ZTIQTLYBQZQYOX-MAUKXSAKSA-N 1 0 340.496 4.127 20 30 EIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC2(c3ccccc3)COC2)cc1 ZINC001167301340 1020978540 /nfs/dbraw/zinc/97/85/40/1020978540.db2.gz AIBIFLASWYOXGS-QFIPXVFZSA-N 1 0 348.490 4.390 20 30 EIEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000261475198 1021034013 /nfs/dbraw/zinc/03/40/13/1021034013.db2.gz KOAFQMXMHRVBNP-QGZVFWFLSA-N 1 0 339.464 4.094 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000340442995 1021036474 /nfs/dbraw/zinc/03/64/74/1021036474.db2.gz DPSPHFWVFJQYSX-IBGZPJMESA-N 1 0 327.399 4.394 20 30 EIEDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000340451004 1021046508 /nfs/dbraw/zinc/04/65/08/1021046508.db2.gz YZOBWOUZUVSFTB-AQNXPRMDSA-N 1 0 336.483 4.471 20 30 EIEDRO N#CCC1(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)CC1 ZINC001167318154 1021069801 /nfs/dbraw/zinc/06/98/01/1021069801.db2.gz DGUPJIKGVYSQTK-UHFFFAOYSA-N 1 0 326.440 4.244 20 30 EIEDRO C=C(C)COCC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000090451357 1021090517 /nfs/dbraw/zinc/09/05/17/1021090517.db2.gz JRVADLOKWDBCKM-CQSZACIVSA-N 1 0 346.496 4.370 20 30 EIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC001167331965 1021185417 /nfs/dbraw/zinc/18/54/17/1021185417.db2.gz DSIZQAHSDGWDJD-OAQYLSRUSA-N 1 0 334.463 4.282 20 30 EIEDRO N#Cc1cccc([C@H](O)C[N@H+](CCc2ccccc2)C2CCCC2)c1 ZINC001167337346 1021253309 /nfs/dbraw/zinc/25/33/09/1021253309.db2.gz NRWHGQKWAVUCOF-JOCHJYFZSA-N 1 0 334.463 4.079 20 30 EIEDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610343238 1021332716 /nfs/dbraw/zinc/33/27/16/1021332716.db2.gz BWHKCPBRCOLQEY-ULQDDVLXSA-N 1 0 349.478 4.037 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCc2cccnc2)cc1)c1cccc(C#N)c1 ZINC000610345257 1021342412 /nfs/dbraw/zinc/34/24/12/1021342412.db2.gz YWBGDZYKAKCQDA-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1OCCCC#N ZINC000610344898 1021342557 /nfs/dbraw/zinc/34/25/57/1021342557.db2.gz LAHQMIASZHIRFB-MRXNPFEDSA-N 1 0 349.434 4.100 20 30 EIEDRO N#Cc1csc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000177682156 1021366727 /nfs/dbraw/zinc/36/67/27/1021366727.db2.gz NHWQUOBPMZOCIP-UHFFFAOYSA-N 1 0 345.899 4.027 20 30 EIEDRO Cc1nc(-c2ccc(CC[NH2+]Cc3cc(C#N)cs3)s2)cs1 ZINC000177682461 1021367761 /nfs/dbraw/zinc/36/77/61/1021367761.db2.gz CAMVJVWQNUMYTC-UHFFFAOYSA-N 1 0 345.518 4.446 20 30 EIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)c1 ZINC000340555776 1021389834 /nfs/dbraw/zinc/38/98/34/1021389834.db2.gz XNLNUYUCAGUHEJ-OAQYLSRUSA-N 1 0 347.462 4.079 20 30 EIEDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000175871169 1021399894 /nfs/dbraw/zinc/39/98/94/1021399894.db2.gz BKUQAQDDNSVXSC-MOPGFXCFSA-N 1 0 331.529 4.190 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(OCc2ccccn2)c1 ZINC000177687312 1021432010 /nfs/dbraw/zinc/43/20/10/1021432010.db2.gz SECZYNHWCHUACY-HNNXBMFYSA-N 1 0 349.459 4.445 20 30 EIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000782651769 1021440425 /nfs/dbraw/zinc/44/04/25/1021440425.db2.gz BNLCFDAXTAPOLG-CYBMUJFWSA-N 1 0 334.769 4.309 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926708017 1021458910 /nfs/dbraw/zinc/45/89/10/1021458910.db2.gz WZVAJMOBXANZHG-DOTOQJQBSA-N 1 0 349.519 4.084 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(OCc2ccccc2C)cc1 ZINC000545272622 1021461186 /nfs/dbraw/zinc/46/11/86/1021461186.db2.gz LRBQMAVXDRQFKW-YLJYHZDGSA-N 1 0 325.452 4.162 20 30 EIEDRO C[C@H](CNc1ccc(Cl)cc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000511394126 1021493581 /nfs/dbraw/zinc/49/35/81/1021493581.db2.gz AXFXVJDXVNFPIT-CQSZACIVSA-N 1 0 325.843 4.070 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)c1 ZINC000177693313 1021535451 /nfs/dbraw/zinc/53/54/51/1021535451.db2.gz SXZKIHCSEUQMBH-UHFFFAOYSA-N 1 0 339.395 4.236 20 30 EIEDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cc(C#N)cs1 ZINC000177696167 1021539013 /nfs/dbraw/zinc/53/90/13/1021539013.db2.gz ULYASHGJGPISPW-ZDUSSCGKSA-N 1 0 332.494 4.146 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000177697217 1021541092 /nfs/dbraw/zinc/54/10/92/1021541092.db2.gz AQYZYIZAXADDSC-OAHLLOKOSA-N 1 0 333.254 4.159 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)cc1 ZINC000236049709 1021619966 /nfs/dbraw/zinc/61/99/66/1021619966.db2.gz DAEVOHKDSMFFDC-UHFFFAOYSA-N 1 0 335.632 4.264 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC000177705416 1021622906 /nfs/dbraw/zinc/62/29/06/1021622906.db2.gz NKHIRVPWWRZPFF-AWEZNQCLSA-N 1 0 331.872 4.032 20 30 EIEDRO Cc1cc(Cl)c2ncc(C#N)c(NC[C@@H]3CC[N@@H+](C(C)C)C3)c2c1 ZINC000548987974 1021709894 /nfs/dbraw/zinc/70/98/94/1021709894.db2.gz XELUQGQRWUNSJR-AWEZNQCLSA-N 1 0 342.874 4.211 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(Br)cc1)CC2 ZINC000580381764 1021782688 /nfs/dbraw/zinc/78/26/88/1021782688.db2.gz VEGQUDJPUBJQKH-SFHVURJKSA-N 1 0 341.252 4.140 20 30 EIEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000581580051 1021862734 /nfs/dbraw/zinc/86/27/34/1021862734.db2.gz DQIHDOHWGVRROV-SJORKVTESA-N 1 0 340.389 4.260 20 30 EIEDRO C[NH+](C)[C@H](CNc1nc(C(C)(C)C)ccc1C#N)c1cccs1 ZINC000613409229 1021979093 /nfs/dbraw/zinc/97/90/93/1021979093.db2.gz PNPXMPCNDVSBSD-CQSZACIVSA-N 1 0 328.485 4.027 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414165748 1022009065 /nfs/dbraw/zinc/00/90/65/1022009065.db2.gz MRDNYAWCFRFUIE-NVXWUHKLSA-N 1 0 348.462 4.364 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000415679388 1022013774 /nfs/dbraw/zinc/01/37/74/1022013774.db2.gz YNYNLZHFPVDCFK-ICSRJNTNSA-N 1 0 341.499 4.191 20 30 EIEDRO C=CCOCC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000549343678 1022035885 /nfs/dbraw/zinc/03/58/85/1022035885.db2.gz GSNQETDGQVGKOG-UHFFFAOYSA-N 1 0 336.888 4.332 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cccc(I)c1 ZINC000398068632 1022139363 /nfs/dbraw/zinc/13/93/63/1022139363.db2.gz KVFUCTOGUZRWQE-GFCCVEGCSA-N 1 0 329.225 4.126 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000414207916 1022162258 /nfs/dbraw/zinc/16/22/58/1022162258.db2.gz HYDHKGAHYMTMMU-ZYHUDNBSSA-N 1 0 327.653 4.274 20 30 EIEDRO CC(C)(C)c1ccncc1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000414234063 1022228120 /nfs/dbraw/zinc/22/81/20/1022228120.db2.gz SFYXHNFJGGNXID-UHFFFAOYSA-N 1 0 348.494 4.009 20 30 EIEDRO N#CCC[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1ccccc1 ZINC000376372386 1022342730 /nfs/dbraw/zinc/34/27/30/1022342730.db2.gz XOCJQBPRACOIHB-ORFBVSJDSA-N 1 0 334.463 4.451 20 30 EIEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000538162025 1022389095 /nfs/dbraw/zinc/38/90/95/1022389095.db2.gz XMGPZHPDEIFSBK-IBGZPJMESA-N 1 0 341.499 4.015 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCSC1 ZINC000472580383 1022474311 /nfs/dbraw/zinc/47/43/11/1022474311.db2.gz KFRKYELUYFFBKM-FQEVSTJZSA-N 1 0 336.504 4.324 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCSC1 ZINC000472580384 1022474828 /nfs/dbraw/zinc/47/48/28/1022474828.db2.gz KFRKYELUYFFBKM-HXUWFJFHSA-N 1 0 336.504 4.324 20 30 EIEDRO COc1ccsc1[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000471620525 1022555808 /nfs/dbraw/zinc/55/58/08/1022555808.db2.gz SNAAKKKDZBHCMD-LBPRGKRZSA-N 1 0 339.382 4.478 20 30 EIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000471622873 1022567410 /nfs/dbraw/zinc/56/74/10/1022567410.db2.gz YSEFKELOXFSLMG-PBEJRMEISA-N 1 0 338.426 4.400 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000378245798 1022569693 /nfs/dbraw/zinc/56/96/93/1022569693.db2.gz DWDSTNLLPABVDM-MOPGFXCFSA-N 1 0 349.478 4.156 20 30 EIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000175871153 1022585088 /nfs/dbraw/zinc/58/50/88/1022585088.db2.gz BKUQAQDDNSVXSC-RTBURBONSA-N 1 0 331.529 4.190 20 30 EIEDRO C=CCC[C@@H]([NH2+]C1CCN(c2cccc(C)n2)CC1)c1ccco1 ZINC000367614931 1022663258 /nfs/dbraw/zinc/66/32/58/1022663258.db2.gz JGIKQCRIGAXTNQ-GOSISDBHSA-N 1 0 325.456 4.249 20 30 EIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(OCC#N)cc1 ZINC000181622715 1022684981 /nfs/dbraw/zinc/68/49/81/1022684981.db2.gz NUZMHHPOUIIEGT-TYCQWZJGSA-N 1 0 336.435 4.160 20 30 EIEDRO N#Cc1c(F)ccc(C[NH2+]C2CCC3(CCOCC3)CC2)c1Cl ZINC000376457370 1022719752 /nfs/dbraw/zinc/71/97/52/1022719752.db2.gz FNJFBCAEZCGLNT-UHFFFAOYSA-N 1 0 336.838 4.180 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)cc1 ZINC000180718431 1022805301 /nfs/dbraw/zinc/80/53/01/1022805301.db2.gz CUJRAYJVWGUTNF-KUHUBIRLSA-N 1 0 325.383 4.012 20 30 EIEDRO COc1ccc(C[NH2+]Cc2sccc2C)cc1OCCCC#N ZINC000064614377 1022822986 /nfs/dbraw/zinc/82/29/86/1022822986.db2.gz MPHRWCUGGDKHLQ-UHFFFAOYSA-N 1 0 330.453 4.038 20 30 EIEDRO N#CCCCOc1cccc(C[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000363884103 1022891493 /nfs/dbraw/zinc/89/14/93/1022891493.db2.gz FREMTGLNXUDODC-UHFFFAOYSA-N 1 0 349.478 4.219 20 30 EIEDRO COC[C@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000610488721 1022896772 /nfs/dbraw/zinc/89/67/72/1022896772.db2.gz CYHGXNCXZBIENB-HNNXBMFYSA-N 1 0 340.370 4.116 20 30 EIEDRO N#Cc1ccccc1-c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000561332741 1022898704 /nfs/dbraw/zinc/89/87/04/1022898704.db2.gz KANUWABGHPAAKI-JOCHJYFZSA-N 1 0 345.490 4.285 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)c(C#N)c1C ZINC000126479068 1023047899 /nfs/dbraw/zinc/04/78/99/1023047899.db2.gz SCFNEKYLIKQTRN-LLVKDONJSA-N 1 0 347.871 4.179 20 30 EIEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000561348660 1023125941 /nfs/dbraw/zinc/12/59/41/1023125941.db2.gz NIIGRVPISYLICW-OPQOLIRYSA-N 1 0 327.472 4.058 20 30 EIEDRO COCCCC[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000340945925 1023146505 /nfs/dbraw/zinc/14/65/05/1023146505.db2.gz DPYFHLUKZCCTTD-UHFFFAOYSA-N 1 0 326.415 4.126 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000684234714 1023153922 /nfs/dbraw/zinc/15/39/22/1023153922.db2.gz GKVUUABRTUZFTO-UHFFFAOYSA-N 1 0 340.467 4.340 20 30 EIEDRO C[C@H](c1cccc(-c2ccncc2)c1)[N@H+](C)CCCSCC#N ZINC000364034566 1023164854 /nfs/dbraw/zinc/16/48/54/1023164854.db2.gz ODSSWJPURZLPOB-MRXNPFEDSA-N 1 0 325.481 4.388 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(C#N)c1)c1ccsc1 ZINC000165679943 1023171031 /nfs/dbraw/zinc/17/10/31/1023171031.db2.gz YMNXLLXUDGCXOU-QGZVFWFLSA-N 1 0 344.440 4.023 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181606757 1023244903 /nfs/dbraw/zinc/24/49/03/1023244903.db2.gz YJQQRAXANSOMGC-ZWKOTPCHSA-N 1 0 338.451 4.092 20 30 EIEDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CS1 ZINC000414503120 1023251458 /nfs/dbraw/zinc/25/14/58/1023251458.db2.gz VSWVKYYWHZEVMR-HNAYVOBHSA-N 1 0 338.476 4.121 20 30 EIEDRO COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417361158 1023286877 /nfs/dbraw/zinc/28/68/77/1023286877.db2.gz IPJLQOQETUFAHV-YVEFUNNKSA-N 1 0 340.448 4.135 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000925598686 1023294787 /nfs/dbraw/zinc/29/47/87/1023294787.db2.gz SHFRKFAFVNFXQX-CYBMUJFWSA-N 1 0 328.378 4.183 20 30 EIEDRO C[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)c1ccc(OCC#N)cc1 ZINC000834895073 1023347781 /nfs/dbraw/zinc/34/77/81/1023347781.db2.gz XCRJSVGMHIRHSS-WFASDCNBSA-N 1 0 327.255 4.214 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(F)cc2Cl)c1 ZINC000136142498 1023353447 /nfs/dbraw/zinc/35/34/47/1023353447.db2.gz SBTGJNTYWYMYKR-MRXNPFEDSA-N 1 0 332.806 4.450 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(-n2ccnc2C)c(F)c1)c1ccc(C#N)cc1 ZINC000377080646 1023364620 /nfs/dbraw/zinc/36/46/20/1023364620.db2.gz UXPWBSCXSZVQKL-FQEVSTJZSA-N 1 0 348.425 4.432 20 30 EIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415004532 1023391219 /nfs/dbraw/zinc/39/12/19/1023391219.db2.gz OHGNKAGTTNKWNF-ZDUSSCGKSA-N 1 0 338.411 4.009 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccccc1 ZINC000341228730 1023405350 /nfs/dbraw/zinc/40/53/50/1023405350.db2.gz MWJGOLNORFYYKT-FQEVSTJZSA-N 1 0 349.478 4.291 20 30 EIEDRO CCOC(=O)CCC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000581627571 1023451914 /nfs/dbraw/zinc/45/19/14/1023451914.db2.gz OVHACTVTLPEQRC-INIZCTEOSA-N 1 0 336.435 4.219 20 30 EIEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)C1CCC1 ZINC000925636903 1023475726 /nfs/dbraw/zinc/47/57/26/1023475726.db2.gz VZQAVOCFEKQSCV-CVEARBPZSA-N 1 0 349.519 4.084 20 30 EIEDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000783017502 1023538835 /nfs/dbraw/zinc/53/88/35/1023538835.db2.gz UVQOEDRFYXKCGA-CYBMUJFWSA-N 1 0 329.831 4.051 20 30 EIEDRO COc1cccc(C2(F)CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000500163171 1023554429 /nfs/dbraw/zinc/55/44/29/1023554429.db2.gz BYUPMGHXYSUQCQ-UHFFFAOYSA-N 1 0 342.389 4.167 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccco1 ZINC000276462166 1023562103 /nfs/dbraw/zinc/56/21/03/1023562103.db2.gz OEAPSRWTVASTFQ-SFHVURJKSA-N 1 0 325.456 4.462 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCCNc1nccc(-c2ccccc2)c1C#N ZINC001167748251 1023563850 /nfs/dbraw/zinc/56/38/50/1023563850.db2.gz FWXZCMHFSOVNHH-QGZVFWFLSA-N 1 0 334.467 4.297 20 30 EIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000477307352 1023574985 /nfs/dbraw/zinc/57/49/85/1023574985.db2.gz WVDAZZDJFZWHBZ-HNNXBMFYSA-N 1 0 343.496 4.348 20 30 EIEDRO CSc1ccccc1[C@H](C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000337368410 1023577206 /nfs/dbraw/zinc/57/72/06/1023577206.db2.gz NOLIVYMVAUVXHV-LBPRGKRZSA-N 1 0 345.493 4.021 20 30 EIEDRO CCc1onc(C)c1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000892988610 1023636927 /nfs/dbraw/zinc/63/69/27/1023636927.db2.gz JNYHXKSMQCLQGT-UHFFFAOYSA-N 1 0 337.448 4.435 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000415579053 1023700783 /nfs/dbraw/zinc/70/07/83/1023700783.db2.gz JPJNXYAMXAWIJC-YTQUADARSA-N 1 0 341.499 4.130 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)CCOc1ccc(Br)cc1 ZINC000471699592 1023703505 /nfs/dbraw/zinc/70/35/05/1023703505.db2.gz AJFISRDKCMHIBG-UHFFFAOYSA-N 1 0 339.277 4.090 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000415581610 1023706053 /nfs/dbraw/zinc/70/60/53/1023706053.db2.gz NQBREECAZAYKLC-CRAIPNDOSA-N 1 0 329.488 4.130 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415584747 1023709691 /nfs/dbraw/zinc/70/96/91/1023709691.db2.gz SZSBURUGIBKISQ-UHFFFAOYSA-N 1 0 341.499 4.146 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000415585136 1023711015 /nfs/dbraw/zinc/71/10/15/1023711015.db2.gz UMUDAJMZLWDQGQ-WMZOPIPTSA-N 1 0 329.488 4.178 20 30 EIEDRO CC(C)OCc1ccccc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728711961 1023759844 /nfs/dbraw/zinc/75/98/44/1023759844.db2.gz PYGOBQRYTFMSOP-KRWDZBQOSA-N 1 0 338.451 4.192 20 30 EIEDRO CC(C)Oc1ccc(CC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000728712024 1023762041 /nfs/dbraw/zinc/76/20/41/1023762041.db2.gz URJMKCNCEGHLHI-KRWDZBQOSA-N 1 0 338.451 4.097 20 30 EIEDRO CC(C)(C)OC(=O)NCC1([C@@H]2CCCC[N@@H+]2CCCCC#N)CCC1 ZINC000933502636 1023766772 /nfs/dbraw/zinc/76/67/72/1023766772.db2.gz SBDCDWCDFOQPRB-KRWDZBQOSA-N 1 0 349.519 4.230 20 30 EIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236701714 1023820056 /nfs/dbraw/zinc/82/00/56/1023820056.db2.gz CUZGCIABKITQBT-KKSFZXQISA-N 1 0 340.442 4.473 20 30 EIEDRO Cc1cc(NCc2ccccc2C[NH+]2CCC(C)CC2)cc(C#N)n1 ZINC000341538868 1023839918 /nfs/dbraw/zinc/83/99/18/1023839918.db2.gz XNEKVDKZEJXSDG-UHFFFAOYSA-N 1 0 334.467 4.106 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc(O)cc3)c2)c1 ZINC000101600200 1023880785 /nfs/dbraw/zinc/88/07/85/1023880785.db2.gz OFROMWYIGCNTJK-UHFFFAOYSA-N 1 0 344.414 4.133 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCCc3c2cnn3C)cc1Cl ZINC000093863711 1023901978 /nfs/dbraw/zinc/90/19/78/1023901978.db2.gz CEXFNHAGEXKIOX-KRWDZBQOSA-N 1 0 345.874 4.148 20 30 EIEDRO C=CC[C@H]1CC[C@H](Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1 ZINC000651764041 1023995267 /nfs/dbraw/zinc/99/52/67/1023995267.db2.gz ALKQQDOMTHLYPJ-IRXDYDNUSA-N 1 0 329.488 4.042 20 30 EIEDRO N#CCC1(C[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000430739326 1023995744 /nfs/dbraw/zinc/99/57/44/1023995744.db2.gz HWVYQMDYKBQVLF-CYBMUJFWSA-N 1 0 325.275 4.245 20 30 EIEDRO N#CCC1(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000430739302 1023998534 /nfs/dbraw/zinc/99/85/34/1023998534.db2.gz HQWLXEFRSDZTQB-OAHLLOKOSA-N 1 0 337.236 4.323 20 30 EIEDRO C=CC[C@@H]1CCCN([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380602 1024080057 /nfs/dbraw/zinc/08/00/57/1024080057.db2.gz OWZHPXRFEZBVIP-GXTWGEPZSA-N 1 0 331.485 4.363 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000661379097 1024082531 /nfs/dbraw/zinc/08/25/31/1024082531.db2.gz STGFPZBFJZFPDL-ZIAGYGMSSA-N 1 0 340.389 4.321 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)C1 ZINC000651672812 1024147087 /nfs/dbraw/zinc/14/70/87/1024147087.db2.gz LUXUKWXGDFWXCY-JLSDUUJJSA-N 1 0 329.875 4.497 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000661118145 1024244989 /nfs/dbraw/zinc/24/49/89/1024244989.db2.gz WZJGDHGQVCUVQB-JSGCOSHPSA-N 1 0 343.496 4.110 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3csc(CC)n3)CC2)C1 ZINC000651714098 1024247274 /nfs/dbraw/zinc/24/72/74/1024247274.db2.gz PNEIBZITPZDLLU-AEFFLSMTSA-N 1 0 347.572 4.252 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1Cl ZINC000651927775 1024270311 /nfs/dbraw/zinc/27/03/11/1024270311.db2.gz HSQPZQBKKRYRJE-IBGZPJMESA-N 1 0 335.875 4.200 20 30 EIEDRO Cc1cccc([C@H]2CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CCC2)c1C ZINC001167493537 1024337893 /nfs/dbraw/zinc/33/78/93/1024337893.db2.gz ZNOLYDNWXIWREQ-AZUAARDMSA-N 1 0 326.484 4.275 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1Br ZINC000341710619 1024385374 /nfs/dbraw/zinc/38/53/74/1024385374.db2.gz NETIDYBLUMEFEK-GOSISDBHSA-N 1 0 341.252 4.488 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccccc2)c1 ZINC000066905102 1024387695 /nfs/dbraw/zinc/38/76/95/1024387695.db2.gz OVLLMQAKDUQGRW-UHFFFAOYSA-N 1 0 328.415 4.427 20 30 EIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2cc(C#N)ccn2)C1 ZINC000341722601 1024478364 /nfs/dbraw/zinc/47/83/64/1024478364.db2.gz OPBSYELMHIKHDT-IRXDYDNUSA-N 1 0 334.467 4.043 20 30 EIEDRO C=CC[N@H+](CCCc1nc(-c2cccs2)no1)Cc1cccs1 ZINC000510798848 1024492561 /nfs/dbraw/zinc/49/25/61/1024492561.db2.gz UEKOGMFTBLPYIT-UHFFFAOYSA-N 1 0 345.493 4.480 20 30 EIEDRO C=C1CCC(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CC1 ZINC001125549716 1024589885 /nfs/dbraw/zinc/58/98/85/1024589885.db2.gz JSPSCFHORHHBIA-UHFFFAOYSA-N 1 0 344.524 4.229 20 30 EIEDRO C=CCC1([NH2+]Cc2nnc(-c3ccc(Cl)cc3)n2C)CCCC1 ZINC000661852228 1024602812 /nfs/dbraw/zinc/60/28/12/1024602812.db2.gz OOYRVYBWMCQZSE-UHFFFAOYSA-N 1 0 330.863 4.114 20 30 EIEDRO C=CCC1([NH2+]CC(=O)N(CC)c2nc3ccccc3s2)CCCC1 ZINC000661865593 1024619596 /nfs/dbraw/zinc/61/95/96/1024619596.db2.gz RLWIOWKIRYRYFC-UHFFFAOYSA-N 1 0 343.496 4.128 20 30 EIEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000610719297 1024716875 /nfs/dbraw/zinc/71/68/75/1024716875.db2.gz WHUJQMAEJYPFME-NQIIRXRSSA-N 1 0 338.426 4.297 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000092709561 1024836404 /nfs/dbraw/zinc/83/64/04/1024836404.db2.gz QCCIKOYZCQEARK-PXNSSMCTSA-N 1 0 334.467 4.228 20 30 EIEDRO Cc1cncc([C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000467728908 1024841393 /nfs/dbraw/zinc/84/13/93/1024841393.db2.gz XPLHFYCNQGYLSF-PBPGXSGUSA-N 1 0 335.451 4.303 20 30 EIEDRO N#CCCn1cc(C[NH2+][C@@H]2CC23CCCCC3)c(-c2ccccc2)n1 ZINC000598983561 1024847865 /nfs/dbraw/zinc/84/78/65/1024847865.db2.gz PNFQOPSSYSOAAB-LJQANCHMSA-N 1 0 334.467 4.276 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000662079704 1024849310 /nfs/dbraw/zinc/84/93/10/1024849310.db2.gz LOTBVYGRJKVCOT-BMFZPTHFSA-N 1 0 327.403 4.428 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000662090937 1024856978 /nfs/dbraw/zinc/85/69/78/1024856978.db2.gz UKZYPYAKHPWHNA-BNOWGMLFSA-N 1 0 328.485 4.134 20 30 EIEDRO N#CCc1ccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248851638 1024872623 /nfs/dbraw/zinc/87/26/23/1024872623.db2.gz BIPXFMNUOQYFDZ-KSEOMHKRSA-N 1 0 331.463 4.075 20 30 EIEDRO CCOc1cccc(/C=N/C[C@@H](c2ccccc2)[NH+]2CCCC2)c1O ZINC000022769565 1024928510 /nfs/dbraw/zinc/92/85/10/1024928510.db2.gz XDMBYVHNLIZMLZ-OMNSNBSWSA-N 1 0 338.451 4.047 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341922903 1024993722 /nfs/dbraw/zinc/99/37/22/1024993722.db2.gz BAYXEFUYKXLQHP-OAQYLSRUSA-N 1 0 347.462 4.230 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000341930380 1024998593 /nfs/dbraw/zinc/99/85/93/1024998593.db2.gz LRDPYLUETXVRJN-JXFKEZNVSA-N 1 0 326.484 4.073 20 30 EIEDRO COCC1(C#N)CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000341980047 1025018757 /nfs/dbraw/zinc/01/87/57/1025018757.db2.gz CCFCTWOXCPGKFC-ZDUSSCGKSA-N 1 0 326.362 4.019 20 30 EIEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(SC2CCCC2)cc1 ZINC000610813677 1025020619 /nfs/dbraw/zinc/02/06/19/1025020619.db2.gz PGBATOBPGWWGFH-INIZCTEOSA-N 1 0 343.540 4.360 20 30 EIEDRO C[C@H]([NH2+]CCOCCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000663311250 1025047501 /nfs/dbraw/zinc/04/75/01/1025047501.db2.gz RZLJPIKWNPWYNA-VIFPVBQESA-N 1 0 347.274 4.361 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1cccc(C#N)c1 ZINC000610829643 1025051566 /nfs/dbraw/zinc/05/15/66/1025051566.db2.gz CGOHYWQGKUHGFP-KGLIPLIRSA-N 1 0 333.435 4.200 20 30 EIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1C ZINC000610829932 1025051975 /nfs/dbraw/zinc/05/19/75/1025051975.db2.gz SSBORQVFXTZFGH-RDJZCZTQSA-N 1 0 335.451 4.243 20 30 EIEDRO C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)[C@@H](c2ccco2)C1 ZINC000247710010 1025157547 /nfs/dbraw/zinc/15/75/47/1025157547.db2.gz ZYIPPDSSVYBYGI-DZGCQCFKSA-N 1 0 343.452 4.015 20 30 EIEDRO C=CC[C@]1(C(=O)Nc2ccc(NC3CCCCC3)cc2)CCC[NH2+]1 ZINC000662704988 1025314146 /nfs/dbraw/zinc/31/41/46/1025314146.db2.gz KORZDEXGSJEOKQ-HXUWFJFHSA-N 1 0 327.472 4.068 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000510996556 1025382504 /nfs/dbraw/zinc/38/25/04/1025382504.db2.gz LPNSIZUZAZHYOK-GWFLUQINSA-N 1 0 345.462 4.151 20 30 EIEDRO Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)c3cccc(C#N)c3)cc2)n1 ZINC000538397281 1025389185 /nfs/dbraw/zinc/38/91/85/1025389185.db2.gz XCPRIRZXZWPKNA-GOSISDBHSA-N 1 0 344.462 4.254 20 30 EIEDRO C=CCCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000472044726 1025508907 /nfs/dbraw/zinc/50/89/07/1025508907.db2.gz UTKPPTDVBYCWQQ-UHFFFAOYSA-N 1 0 332.451 4.380 20 30 EIEDRO COc1ccc(C[N@H+](Cc2cc(C#N)cs2)[C@H](C)C2CC2)cc1 ZINC000506731134 1025518006 /nfs/dbraw/zinc/51/80/06/1025518006.db2.gz PSOXZYNMKJBXHL-CQSZACIVSA-N 1 0 326.465 4.429 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000066971882 1025567652 /nfs/dbraw/zinc/56/76/52/1025567652.db2.gz KGXUUPLOIAKVFZ-UHFFFAOYSA-N 1 0 333.347 4.016 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000440068649 1025585797 /nfs/dbraw/zinc/58/57/97/1025585797.db2.gz DJZAYQQNIGGWQN-FUHIMQAGSA-N 1 0 330.903 4.029 20 30 EIEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC(C)(C)CCC#N ZINC000342289219 1025790542 /nfs/dbraw/zinc/79/05/42/1025790542.db2.gz WINCYZCZYBSTQN-UHFFFAOYSA-N 1 0 328.435 4.048 20 30 EIEDRO C=C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512029522 1025793512 /nfs/dbraw/zinc/79/35/12/1025793512.db2.gz CTSZOQADEVKDMY-UWVGGRQHSA-N 1 0 334.769 4.240 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CCSCc2ccccc2C#N)cc1F ZINC000539073348 1025797890 /nfs/dbraw/zinc/79/78/90/1025797890.db2.gz KBOHEUXZMWCVNV-AWEZNQCLSA-N 1 0 344.455 4.290 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1-n1cccn1 ZINC000151835419 1025813669 /nfs/dbraw/zinc/81/36/69/1025813669.db2.gz YNNPGRRJEJLAPR-DLBZAZTESA-N 1 0 346.434 4.014 20 30 EIEDRO C=CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000512046064 1025842241 /nfs/dbraw/zinc/84/22/41/1025842241.db2.gz QFHHZAMYPLDMLP-UXBLZVDNSA-N 1 0 333.391 4.168 20 30 EIEDRO CC[N@H+](CC#Cc1cccc(Cl)c1)C[C@H](O)c1ccc(C)cc1 ZINC001167516997 1025890384 /nfs/dbraw/zinc/89/03/84/1025890384.db2.gz MLHJGEGUAAEIFD-FQEVSTJZSA-N 1 0 327.855 4.055 20 30 EIEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccc(-c3ccccc3)cc2)C1=O ZINC001167522293 1025904883 /nfs/dbraw/zinc/90/48/83/1025904883.db2.gz XNWYLWBSTHWFQD-LAUBAEHRSA-N 1 0 334.463 4.133 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000472135129 1025920960 /nfs/dbraw/zinc/92/09/60/1025920960.db2.gz VBVBOGOOQWHQPG-GZMMTYOYSA-N 1 0 335.181 4.377 20 30 EIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC001167540275 1026001497 /nfs/dbraw/zinc/00/14/97/1026001497.db2.gz YDEWVGKERTUBIR-RBUKOAKNSA-N 1 0 330.447 4.257 20 30 EIEDRO CC[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N1CCc2ccccc2C1 ZINC000539499147 1026097896 /nfs/dbraw/zinc/09/78/96/1026097896.db2.gz ANPVBMAODQKLEK-VGOFRKELSA-N 1 0 333.479 4.046 20 30 EIEDRO C=CCOCC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000550105408 1026119782 /nfs/dbraw/zinc/11/97/82/1026119782.db2.gz DAVRJPRIWKPKCO-UHFFFAOYSA-N 1 0 334.872 4.024 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCc3sc(Br)cc32)c1 ZINC000582136184 1026230120 /nfs/dbraw/zinc/23/01/20/1026230120.db2.gz DEUTZNBYLJRDJH-AWEZNQCLSA-N 1 0 347.281 4.202 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H]1CCc2ccc(Cl)cc21 ZINC000512177546 1026239423 /nfs/dbraw/zinc/23/94/23/1026239423.db2.gz FCHDIMQUYGVTQA-IBGZPJMESA-N 1 0 331.843 4.491 20 30 EIEDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@H+]1CCCCC#N ZINC000582145382 1026252436 /nfs/dbraw/zinc/25/24/36/1026252436.db2.gz DUJUULJERIQARF-GASCZTMLSA-N 1 0 339.405 4.298 20 30 EIEDRO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCCC#N)cc1 ZINC000344345596 1026262981 /nfs/dbraw/zinc/26/29/81/1026262981.db2.gz FJGMAXBNKASBTD-UHFFFAOYSA-N 1 0 348.425 4.380 20 30 EIEDRO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543557722 1026287757 /nfs/dbraw/zinc/28/77/57/1026287757.db2.gz GNFXZUGPBLPWFH-WOJBJXKFSA-N 1 0 342.389 4.189 20 30 EIEDRO CCCCC[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C(C)C ZINC000279407753 1026415520 /nfs/dbraw/zinc/41/55/20/1026415520.db2.gz NJTRKMKMSQVDMK-UHFFFAOYSA-N 1 0 339.487 4.259 20 30 EIEDRO CCC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)C1CCCCC1 ZINC000540589651 1026422622 /nfs/dbraw/zinc/42/26/22/1026422622.db2.gz XVAAAMMQKORYGL-KRWDZBQOSA-N 1 0 331.460 4.045 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC3(C2)CCCCC3)c(-c2ccncc2)n1 ZINC000279505245 1026470125 /nfs/dbraw/zinc/47/01/25/1026470125.db2.gz ZTTFJSSKSFDUBZ-UHFFFAOYSA-N 1 0 349.482 4.015 20 30 EIEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)Oc1ccc(Br)cc1 ZINC000344614557 1026493805 /nfs/dbraw/zinc/49/38/05/1026493805.db2.gz FSRXGANSEJRXSR-ZDUSSCGKSA-N 1 0 339.277 4.136 20 30 EIEDRO C[C@H](C[NH2+]CC(C)(C)CCC#N)Oc1ccc(Br)cc1 ZINC000344614554 1026494420 /nfs/dbraw/zinc/49/44/20/1026494420.db2.gz FSRXGANSEJRXSR-CYBMUJFWSA-N 1 0 339.277 4.136 20 30 EIEDRO C=CCCCC[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC001167567951 1026513855 /nfs/dbraw/zinc/51/38/55/1026513855.db2.gz LZYCEOHUEJYDNT-UHFFFAOYSA-N 1 0 336.520 4.454 20 30 EIEDRO CC[C@H](C)[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccccc1 ZINC000120422121 1026542764 /nfs/dbraw/zinc/54/27/64/1026542764.db2.gz HKOSMWXIVUIJMD-AWEZNQCLSA-N 1 0 339.439 4.007 20 30 EIEDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000279643403 1026566300 /nfs/dbraw/zinc/56/63/00/1026566300.db2.gz DFNQDWPBZWXIPF-UHFFFAOYSA-N 1 0 336.464 4.115 20 30 EIEDRO CC(C)[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc(Cl)c1 ZINC000507123216 1026652506 /nfs/dbraw/zinc/65/25/06/1026652506.db2.gz XJNLVNICJKOLJP-UHFFFAOYSA-N 1 0 338.842 4.270 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000427004848 1026675538 /nfs/dbraw/zinc/67/55/38/1026675538.db2.gz LWIOIOYABFWIQJ-MBOZVWFJSA-N 1 0 330.903 4.029 20 30 EIEDRO CCOc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1OC ZINC000507170676 1026684862 /nfs/dbraw/zinc/68/48/62/1026684862.db2.gz PSNXEVORBBYDFP-UHFFFAOYSA-N 1 0 338.451 4.376 20 30 EIEDRO C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)CC)cc1OC ZINC000507189437 1026694589 /nfs/dbraw/zinc/69/45/89/1026694589.db2.gz VCSHVNKXJCVKNL-LBPRGKRZSA-N 1 0 342.277 4.253 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1ncc(C#N)cc1Cl)c1ccsc1 ZINC000339136812 1026705004 /nfs/dbraw/zinc/70/50/04/1026705004.db2.gz NGBJDTFXQNBNGF-HNNXBMFYSA-N 1 0 334.876 4.163 20 30 EIEDRO N#Cc1ccccc1N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000507289594 1026735408 /nfs/dbraw/zinc/73/54/08/1026735408.db2.gz AQZHFXNSSYBILL-UHFFFAOYSA-N 1 0 327.431 4.034 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1ccnn1C ZINC000507320075 1026743522 /nfs/dbraw/zinc/74/35/22/1026743522.db2.gz RTMHBFWCUDPNSV-UHFFFAOYSA-N 1 0 344.462 4.371 20 30 EIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000345005880 1026751025 /nfs/dbraw/zinc/75/10/25/1026751025.db2.gz CICUSMYMBXHUFT-RBUKOAKNSA-N 1 0 330.472 4.052 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1 ZINC000582526236 1026756200 /nfs/dbraw/zinc/75/62/00/1026756200.db2.gz GHIPEMYOSBXPSO-NHCUHLMSSA-N 1 0 336.479 4.401 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2CC(C)C)c1 ZINC000500461292 1026771645 /nfs/dbraw/zinc/77/16/45/1026771645.db2.gz WPAUBDLOSOPGBE-IBGZPJMESA-N 1 0 341.499 4.061 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000507508449 1026821335 /nfs/dbraw/zinc/82/13/35/1026821335.db2.gz IVRGHEQGMIGDCK-JKSUJKDBSA-N 1 0 334.529 4.262 20 30 EIEDRO CO[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000507618406 1026855369 /nfs/dbraw/zinc/85/53/69/1026855369.db2.gz CEDINLOYEKIFBG-ATKRNPRHSA-N 1 0 334.463 4.368 20 30 EIEDRO Cn1c2ccccc2nc1[C@@H]1CCCCN1Cc1ccc(CC#N)cc1 ZINC000582689352 1026939613 /nfs/dbraw/zinc/93/96/13/1026939613.db2.gz NNULAOWCBHUQTP-NRFANRHFSA-N 1 0 344.462 4.367 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)Cc2ccsc2)ccc1OC ZINC000060948784 1026991314 /nfs/dbraw/zinc/99/13/14/1026991314.db2.gz AJKQEDIXWDDWIY-HNNXBMFYSA-N 1 0 331.481 4.432 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000415590313 1026996328 /nfs/dbraw/zinc/99/63/28/1026996328.db2.gz ZYOHFNXPESGKHU-LJQANCHMSA-N 1 0 337.467 4.360 20 30 EIEDRO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC000519906025 1027039541 /nfs/dbraw/zinc/03/95/41/1027039541.db2.gz BUHXSFMCBSQCTI-OAQYLSRUSA-N 1 0 349.478 4.038 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000342797972 1027039926 /nfs/dbraw/zinc/03/99/26/1027039926.db2.gz SWEOLZPYJKGIFY-YLJYHZDGSA-N 1 0 343.492 4.146 20 30 EIEDRO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000441051052 1027217726 /nfs/dbraw/zinc/21/77/26/1027217726.db2.gz PVVBKCKQIQUJGZ-KKSFZXQISA-N 1 0 334.463 4.312 20 30 EIEDRO C#CCOc1ccccc1CNC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000237483600 1027237988 /nfs/dbraw/zinc/23/79/88/1027237988.db2.gz ZCPFMUFPUQCXID-IBGZPJMESA-N 1 0 348.490 4.014 20 30 EIEDRO C=CCC1([NH2+]Cc2csc(-c3ccc(F)cc3)n2)CCOCC1 ZINC000657633641 1027349684 /nfs/dbraw/zinc/34/96/84/1027349684.db2.gz UAFRVKSADPCSKH-UHFFFAOYSA-N 1 0 332.444 4.164 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000519761288 1027385622 /nfs/dbraw/zinc/38/56/22/1027385622.db2.gz DOOKZIXUFDYAAM-CWLKWCNXSA-N 1 0 346.446 4.116 20 30 EIEDRO COc1cc(CCC2CC[NH+](CCCCC#N)CC2)cc(OC)c1 ZINC000102396750 1027388009 /nfs/dbraw/zinc/38/80/09/1027388009.db2.gz TUCUWPYQDKKEPW-UHFFFAOYSA-N 1 0 330.472 4.042 20 30 EIEDRO C=CCCC1(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000469823937 1027404938 /nfs/dbraw/zinc/40/49/38/1027404938.db2.gz ADAVRZLXZNPDBV-UHFFFAOYSA-N 1 0 346.902 4.167 20 30 EIEDRO C=CC[N@@H+](CCOc1ccc(SC)cc1)Cc1cccc(C#N)c1 ZINC000441284959 1027414327 /nfs/dbraw/zinc/41/43/27/1027414327.db2.gz LPICGDCTLANQLT-UHFFFAOYSA-N 1 0 338.476 4.347 20 30 EIEDRO COCCCC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000441387765 1027511261 /nfs/dbraw/zinc/51/12/61/1027511261.db2.gz RHANSHYNRHFZPF-HXUWFJFHSA-N 1 0 338.451 4.214 20 30 EIEDRO CCOC[C@H]1CCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000474815175 1027538379 /nfs/dbraw/zinc/53/83/79/1027538379.db2.gz DSAHWYQRZIUMLJ-OAHAVBBTSA-N 1 0 342.483 4.043 20 30 EIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2nc3ccccc3n2C)cc1 ZINC000262271816 1027554265 /nfs/dbraw/zinc/55/42/65/1027554265.db2.gz KNPLTMFKKRMJLA-CQSZACIVSA-N 1 0 335.455 4.014 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+](C)CCCC ZINC000475550996 1027589540 /nfs/dbraw/zinc/58/95/40/1027589540.db2.gz VNQMXPCVAOCZDZ-UHFFFAOYSA-N 1 0 331.504 4.392 20 30 EIEDRO Cc1oc(C(C)C)nc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329184809 1027636408 /nfs/dbraw/zinc/63/64/08/1027636408.db2.gz PGQMFAGPLDYIGK-UHFFFAOYSA-N 1 0 333.476 4.208 20 30 EIEDRO CC1CC[NH+](CCCNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000609960208 1027661572 /nfs/dbraw/zinc/66/15/72/1027661572.db2.gz IIWNSIJOZCJJSY-UHFFFAOYSA-N 1 0 325.378 4.111 20 30 EIEDRO CC(C)[C@H](C(=O)Nc1csc(-c2ccccn2)n1)[NH+]1CCCCC1 ZINC000329275773 1027691183 /nfs/dbraw/zinc/69/11/83/1027691183.db2.gz JZXXKASIFQSPRW-MRXNPFEDSA-N 1 0 344.484 4.304 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000329371614 1027755661 /nfs/dbraw/zinc/75/56/61/1027755661.db2.gz JASHPXPYIYHUQN-LPHOPBHVSA-N 1 0 338.455 4.275 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC000329387870 1027759432 /nfs/dbraw/zinc/75/94/32/1027759432.db2.gz RDFWNEQRLNRJCR-DJIMGWMZSA-N 1 0 332.492 4.413 20 30 EIEDRO CC(C)([C@H]([NH2+]CCCCC#N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000347337550 1027785412 /nfs/dbraw/zinc/78/54/12/1027785412.db2.gz MBLYTQQVGZQAAB-GOSISDBHSA-N 1 0 335.442 4.164 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1CCOCC1 ZINC000193081195 1027794076 /nfs/dbraw/zinc/79/40/76/1027794076.db2.gz GLVCZLYEIQOTSH-UHFFFAOYSA-N 1 0 348.490 4.245 20 30 EIEDRO CC(C)(C)[NH+]1CCC(NC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328682475 1027794739 /nfs/dbraw/zinc/79/47/39/1027794739.db2.gz OSNWRNHOCVVUJK-UHFFFAOYSA-N 1 0 333.476 4.290 20 30 EIEDRO O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc2c[nH+]cn2c1 ZINC000328829334 1027816827 /nfs/dbraw/zinc/81/68/27/1027816827.db2.gz UDEKRBUKXJFTSJ-UHFFFAOYSA-N 1 0 349.390 4.402 20 30 EIEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000909604471 1027845701 /nfs/dbraw/zinc/84/57/01/1027845701.db2.gz KKCPQGDJMWEAFD-UHFFFAOYSA-N 1 0 335.451 4.110 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000162344288 1027871915 /nfs/dbraw/zinc/87/19/15/1027871915.db2.gz WRHRVIHSEDAZJH-PMPSAXMXSA-N 1 0 345.512 4.188 20 30 EIEDRO CC(C)([NH2+]CC#Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001168045093 1027889740 /nfs/dbraw/zinc/88/97/40/1027889740.db2.gz WDAUYGLWIJHIAF-UHFFFAOYSA-N 1 0 346.243 4.465 20 30 EIEDRO CC1(C)CCCc2sc(NC(=O)c3ccc4c[nH+]cn4c3)nc21 ZINC000329632888 1027904931 /nfs/dbraw/zinc/90/49/31/1027904931.db2.gz WKZJLPXKRDKRAA-UHFFFAOYSA-N 1 0 326.425 4.041 20 30 EIEDRO C=CC[C@@H]1N(C(=O)c2cccc(C[NH+]3CCCC3)c2)CCCC1(C)C ZINC000444632604 1027912276 /nfs/dbraw/zinc/91/22/76/1027912276.db2.gz GORXRDVJCCFYRQ-FQEVSTJZSA-N 1 0 340.511 4.489 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1OCC ZINC000120095464 1027918778 /nfs/dbraw/zinc/91/87/78/1027918778.db2.gz AYLKSFGWCOLLIM-AWEZNQCLSA-N 1 0 342.414 4.346 20 30 EIEDRO N#Cc1csc(CN2CCC[C@@H](CCCc3ccccc3)C2)n1 ZINC000572926966 1027955050 /nfs/dbraw/zinc/95/50/50/1027955050.db2.gz WSLHSSBXWXJOBB-QGZVFWFLSA-N 1 0 325.481 4.250 20 30 EIEDRO CO[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@@H]1C ZINC000444677136 1027963059 /nfs/dbraw/zinc/96/30/59/1027963059.db2.gz VTCVTLBVKSOGQP-UGKGYDQZSA-N 1 0 348.490 4.243 20 30 EIEDRO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1OC ZINC000507749838 1027980248 /nfs/dbraw/zinc/98/02/48/1027980248.db2.gz UUONQXDTIDIJIT-UHFFFAOYSA-N 1 0 338.451 4.234 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000444700377 1027987781 /nfs/dbraw/zinc/98/77/81/1027987781.db2.gz GBKBSIIYIPBIMD-FXAWDEMLSA-N 1 0 325.452 4.243 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000343064980 1028051977 /nfs/dbraw/zinc/05/19/77/1028051977.db2.gz KFRWHDZIXFQPBQ-UHFFFAOYSA-N 1 0 342.483 4.189 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCCC1(C)C ZINC000444784713 1028073160 /nfs/dbraw/zinc/07/31/60/1028073160.db2.gz WJJLEXMEMHTGOD-QGZVFWFLSA-N 1 0 336.439 4.175 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)nc1 ZINC000583134330 1028075079 /nfs/dbraw/zinc/07/50/79/1028075079.db2.gz FBQJYHBYHPMEBP-JOCHJYFZSA-N 1 0 327.431 4.417 20 30 EIEDRO CSc1nc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)ccc1C#N ZINC001141941818 1028086900 /nfs/dbraw/zinc/08/69/00/1028086900.db2.gz ZIGAHAWMZMYLOZ-CQSZACIVSA-N 1 0 343.883 4.318 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(CSC)c2)cc1OC ZINC000189489725 1028149992 /nfs/dbraw/zinc/14/99/92/1028149992.db2.gz IJYMMGCVEUBXIV-UHFFFAOYSA-N 1 0 343.492 4.413 20 30 EIEDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000329961722 1028170451 /nfs/dbraw/zinc/17/04/51/1028170451.db2.gz RTHCDZGRQAMZNE-KRWDZBQOSA-N 1 0 346.519 4.450 20 30 EIEDRO C[C@H](NC(=O)C1CCCCC1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330062680 1028195052 /nfs/dbraw/zinc/19/50/52/1028195052.db2.gz AZDMXWYKOQPZBX-HNNXBMFYSA-N 1 0 349.519 4.275 20 30 EIEDRO O=C(CCc1nc2ccccc2o1)NC1CC[NH+](C2CCCC2)CC1 ZINC000330087579 1028201346 /nfs/dbraw/zinc/20/13/46/1028201346.db2.gz TYLXJNDSILQPSR-UHFFFAOYSA-N 1 0 341.455 4.124 20 30 EIEDRO CC[C@H](CSc1ccccc1)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440610634 1028202429 /nfs/dbraw/zinc/20/24/29/1028202429.db2.gz JKBCKXDXYVVEQY-QGZVFWFLSA-N 1 0 326.465 4.227 20 30 EIEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330134425 1028211156 /nfs/dbraw/zinc/21/11/56/1028211156.db2.gz GVSBIGSDLRBDOG-VQIYKNCMSA-N 1 0 348.531 4.095 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523564941 1028236935 /nfs/dbraw/zinc/23/69/35/1028236935.db2.gz DTCVTDHSTAPCSE-HXUWFJFHSA-N 1 0 343.515 4.039 20 30 EIEDRO C=C(Br)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001167659874 1028259530 /nfs/dbraw/zinc/25/95/30/1028259530.db2.gz WFXYACSQYNHXAU-IAGOWNOFSA-N 1 0 338.289 4.263 20 30 EIEDRO C=CCN(Cc1cccs1)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346144117 1028280516 /nfs/dbraw/zinc/28/05/16/1028280516.db2.gz QQLTYBNZZIYHNP-UHFFFAOYSA-N 1 0 347.553 4.159 20 30 EIEDRO N#Cc1cccc(-c2c[nH]c(CNc3cc[nH+]c4cc(F)ccc34)n2)c1 ZINC000346214587 1028314646 /nfs/dbraw/zinc/31/46/46/1028314646.db2.gz TWGURIGGFMOTBQ-UHFFFAOYSA-N 1 0 343.365 4.248 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000278165857 1028360281 /nfs/dbraw/zinc/36/02/81/1028360281.db2.gz CCYZNNHBURQQCP-YWZLYKJASA-N 1 0 349.434 4.317 20 30 EIEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000330316976 1028411142 /nfs/dbraw/zinc/41/11/42/1028411142.db2.gz ZTNNSUPTDCGHFJ-GFCCVEGCSA-N 1 0 349.500 4.151 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000281200425 1028435071 /nfs/dbraw/zinc/43/50/71/1028435071.db2.gz KDARVIVCRQJWRB-QUCCMNQESA-N 1 0 327.516 4.046 20 30 EIEDRO C=C(C[NH2+]Cc1c(C(C)C)nc2sc(C)nn12)c1ccccc1 ZINC000346695672 1028603780 /nfs/dbraw/zinc/60/37/80/1028603780.db2.gz FLPAJQMGJSPSGA-UHFFFAOYSA-N 1 0 326.469 4.026 20 30 EIEDRO COc1cc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc(OC)c1 ZINC000330345004 1028605854 /nfs/dbraw/zinc/60/58/54/1028605854.db2.gz DPOZQWSGFGZEGX-GOSISDBHSA-N 1 0 332.444 4.089 20 30 EIEDRO CCc1ccc([C@@H](CC)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161697881 1028678429 /nfs/dbraw/zinc/67/84/29/1028678429.db2.gz GVHWRAUATNNOQH-OAQYLSRUSA-N 1 0 348.494 4.225 20 30 EIEDRO C[C@@H](CC[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000583421205 1028704387 /nfs/dbraw/zinc/70/43/87/1028704387.db2.gz OZOMSIFTECOFOR-RPCJCACASA-N 1 0 349.478 4.427 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)[C@H](C)C1CCCCC1 ZINC000161706297 1028709530 /nfs/dbraw/zinc/70/95/30/1028709530.db2.gz VLHUTXTXAPQGER-DLBZAZTESA-N 1 0 340.515 4.117 20 30 EIEDRO COc1cc(CNc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1C#N ZINC000440806120 1028736415 /nfs/dbraw/zinc/73/64/15/1028736415.db2.gz HGOAMFNDCWNNHC-KRWDZBQOSA-N 1 0 349.478 4.411 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc2cc(F)ccc2o1)C(C)C ZINC000522735358 1028742350 /nfs/dbraw/zinc/74/23/50/1028742350.db2.gz FLTQWDDVJWMGOA-QGZVFWFLSA-N 1 0 344.430 4.000 20 30 EIEDRO CCOc1cc(C[NH2+]CC2CCC(C#N)CC2)ccc1OC(F)F ZINC000281759101 1028856996 /nfs/dbraw/zinc/85/69/96/1028856996.db2.gz RNAFIMTZSDXPRQ-UHFFFAOYSA-N 1 0 338.398 4.106 20 30 EIEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C3CC3)cc2)cc1Cl ZINC000262380292 1028863930 /nfs/dbraw/zinc/86/39/30/1028863930.db2.gz NTPHWUDZLDHXMS-UHFFFAOYSA-N 1 0 329.831 4.153 20 30 EIEDRO CC(C)[N@H+](Cc1cncn1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000445798752 1028916542 /nfs/dbraw/zinc/91/65/42/1028916542.db2.gz QVZRCIVIAQEODT-UHFFFAOYSA-N 1 0 344.462 4.214 20 30 EIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(-c2cccnc2)cc1 ZINC000281903525 1028946182 /nfs/dbraw/zinc/94/61/82/1028946182.db2.gz FXXQDRJLPPTMCJ-GOSISDBHSA-N 1 0 349.478 4.500 20 30 EIEDRO C[C@H](C1CC1)[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281924181 1028965360 /nfs/dbraw/zinc/96/53/60/1028965360.db2.gz HMTWJGZQQUCEHN-GOSISDBHSA-N 1 0 326.484 4.388 20 30 EIEDRO N#CC1(CCC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)CCOCC1 ZINC000281923538 1028965431 /nfs/dbraw/zinc/96/54/31/1028965431.db2.gz HJQSASQQTXYANH-GOSISDBHSA-N 1 0 344.524 4.201 20 30 EIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1OC(F)F ZINC000281930447 1028974578 /nfs/dbraw/zinc/97/45/78/1028974578.db2.gz IATZHUBJEPEAKW-AWEZNQCLSA-N 1 0 338.398 4.039 20 30 EIEDRO C[C@@H]1SCC[N@H+](CCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000522837409 1028988354 /nfs/dbraw/zinc/98/83/54/1028988354.db2.gz YQJPLBBJSGMYIR-JXFKEZNVSA-N 1 0 338.476 4.116 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000157356251 1029029778 /nfs/dbraw/zinc/02/97/78/1029029778.db2.gz LTRHPSKGXZOPSP-UNMCSNQZSA-N 1 0 335.447 4.099 20 30 EIEDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCCC[C@@H]12 ZINC000524758842 1029207966 /nfs/dbraw/zinc/20/79/66/1029207966.db2.gz GYMTZRTWTYBBGX-FHLIZLRMSA-N 1 0 336.439 4.009 20 30 EIEDRO COc1ccsc1[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000186129551 1029302355 /nfs/dbraw/zinc/30/23/55/1029302355.db2.gz AUKVPBBWCCCCLK-ZDUSSCGKSA-N 1 0 332.494 4.212 20 30 EIEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168058787 1029372147 /nfs/dbraw/zinc/37/21/47/1029372147.db2.gz CFNZOZZOPUYCDT-KOUHRCEDSA-N 1 0 325.500 4.054 20 30 EIEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000247640985 1029383936 /nfs/dbraw/zinc/38/39/36/1029383936.db2.gz VQFSTVZXIGDVMJ-ROUUACIJSA-N 1 0 341.499 4.124 20 30 EIEDRO Cc1ccnc(NCc2ccccc2C[NH+]2CCC(C)CC2)c1C#N ZINC000343503240 1029390733 /nfs/dbraw/zinc/39/07/33/1029390733.db2.gz AAEFXMNFISSCLW-UHFFFAOYSA-N 1 0 334.467 4.106 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000278542393 1029459152 /nfs/dbraw/zinc/45/91/52/1029459152.db2.gz ACFYTVSXQZMZND-UHFFFAOYSA-N 1 0 349.812 4.258 20 30 EIEDRO CCCC[C@H](CC)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278579699 1029535229 /nfs/dbraw/zinc/53/52/29/1029535229.db2.gz FOMUYDZPJXFPSG-KRWDZBQOSA-N 1 0 339.487 4.165 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000186325866 1029574464 /nfs/dbraw/zinc/57/44/64/1029574464.db2.gz YNPAEKATPICECR-HXUWFJFHSA-N 1 0 336.435 4.039 20 30 EIEDRO N#CC1(CCC[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC000281996907 1029618509 /nfs/dbraw/zinc/61/85/09/1029618509.db2.gz NFURXHXEHCYAHG-LJQANCHMSA-N 1 0 330.447 4.453 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000343632854 1029620032 /nfs/dbraw/zinc/62/00/32/1029620032.db2.gz ZTVNUYTVOOYIRQ-QGZVFWFLSA-N 1 0 345.368 4.182 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)CC3 ZINC000584104103 1029624637 /nfs/dbraw/zinc/62/46/37/1029624637.db2.gz SBFMKKHDJMZREJ-SFHVURJKSA-N 1 0 341.458 4.484 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1 ZINC000278658494 1029655802 /nfs/dbraw/zinc/65/58/02/1029655802.db2.gz QHCJGZUGENZSGC-IUODEOHRSA-N 1 0 329.831 4.353 20 30 EIEDRO Fc1ccc(C#CC[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000447042988 1029670120 /nfs/dbraw/zinc/67/01/20/1029670120.db2.gz VXTSMFVRCKUZBQ-UHFFFAOYSA-N 1 0 337.438 4.106 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000584235084 1029688949 /nfs/dbraw/zinc/68/89/49/1029688949.db2.gz GMNFRPGJDKGRSU-SFHVURJKSA-N 1 0 327.359 4.092 20 30 EIEDRO COc1ccc(NC(=[NH2+])NC2CC(F)(c3cccc(Cl)c3)C2)cc1 ZINC000262499215 1029699632 /nfs/dbraw/zinc/69/96/32/1029699632.db2.gz XPWZCNQSXQQWAO-UHFFFAOYSA-N 1 0 347.821 4.103 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000278735352 1029751519 /nfs/dbraw/zinc/75/15/19/1029751519.db2.gz MZKAYDCTFAHEMI-VGOFRKELSA-N 1 0 348.494 4.220 20 30 EIEDRO COc1ccc(C[NH2+]CCc2ccccc2C)cc1OCCCC#N ZINC000064613621 1029815977 /nfs/dbraw/zinc/81/59/77/1029815977.db2.gz XVFXFUXPKUJRDT-UHFFFAOYSA-N 1 0 338.451 4.019 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Br)s1 ZINC000090117249 1029864146 /nfs/dbraw/zinc/86/41/46/1029864146.db2.gz UORYRQWLFHRCTH-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO C=CC[C@H](CO)[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000184288051 1030065899 /nfs/dbraw/zinc/06/58/99/1030065899.db2.gz BJVLWFATYJWINJ-LLVKDONJSA-N 1 0 343.279 4.144 20 30 EIEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)o1 ZINC000447528506 1030125350 /nfs/dbraw/zinc/12/53/50/1030125350.db2.gz HUDARFFJOYUOCA-WMLDXEAASA-N 1 0 341.430 4.227 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1OC ZINC000185230216 1030132209 /nfs/dbraw/zinc/13/22/09/1030132209.db2.gz QBKVZPIBDUOEML-VQIMIIECSA-N 1 0 338.451 4.238 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000450960605 1030138473 /nfs/dbraw/zinc/13/84/73/1030138473.db2.gz SAEVGBHMLINLBJ-SJBKTWHCSA-N 1 0 340.511 4.393 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447541723 1030144435 /nfs/dbraw/zinc/14/44/35/1030144435.db2.gz MWFPJJFWCDBJEK-VXKWHMMOSA-N 1 0 333.479 4.264 20 30 EIEDRO CC[C@H]([NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2)c1ccc(C#N)cc1 ZINC000447564521 1030174635 /nfs/dbraw/zinc/17/46/35/1030174635.db2.gz XLEJSDMSFYXZAL-LIRRHRJNSA-N 1 0 336.435 4.131 20 30 EIEDRO CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(C#N)cc1 ZINC000447591568 1030195722 /nfs/dbraw/zinc/19/57/22/1030195722.db2.gz INJDLVJFYVOOHP-FQEVSTJZSA-N 1 0 330.435 4.200 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccnn1C ZINC000447593088 1030197019 /nfs/dbraw/zinc/19/70/19/1030197019.db2.gz PWACUBKUTVVWQY-JKSUJKDBSA-N 1 0 330.435 4.371 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000185799203 1030227631 /nfs/dbraw/zinc/22/76/31/1030227631.db2.gz LPNQVYMJJYUTNQ-KMFMINBZSA-N 1 0 326.419 4.053 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(C2CC2)c1 ZINC000451109489 1030235063 /nfs/dbraw/zinc/23/50/63/1030235063.db2.gz CXFJURQEDYUKIX-CYBMUJFWSA-N 1 0 339.464 4.177 20 30 EIEDRO CC(C)(CO)[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000429721378 1030236112 /nfs/dbraw/zinc/23/61/12/1030236112.db2.gz HHFJWAHTWONXJX-IBGZPJMESA-N 1 0 327.855 4.041 20 30 EIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000451118888 1030245435 /nfs/dbraw/zinc/24/54/35/1030245435.db2.gz ZDXYOXFCHLGHHH-KRWDZBQOSA-N 1 0 347.462 4.161 20 30 EIEDRO N#Cc1ccccc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022790296 1030356394 /nfs/dbraw/zinc/35/63/94/1030356394.db2.gz VGVRQJNYCRJAEB-UHFFFAOYSA-N 1 0 341.458 4.029 20 30 EIEDRO O[C@H](c1ccccc1)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000127348778 1030399982 /nfs/dbraw/zinc/39/99/82/1030399982.db2.gz DELBDNFOHQGXSG-OAQYLSRUSA-N 1 0 339.866 4.137 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCOc3c(C)cccc32)cc(OC)c1O ZINC000188949267 1030439832 /nfs/dbraw/zinc/43/98/32/1030439832.db2.gz GVVHRIFRYJOEBJ-SFHVURJKSA-N 1 0 339.435 4.051 20 30 EIEDRO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000188953872 1030442811 /nfs/dbraw/zinc/44/28/11/1030442811.db2.gz QYVAGTSSDMFNLI-FQEVSTJZSA-N 1 0 336.435 4.291 20 30 EIEDRO C[N@H+](CCC(C)(C)C#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000527077787 1030469898 /nfs/dbraw/zinc/46/98/98/1030469898.db2.gz GEZOQXYHMBGYRP-AWEZNQCLSA-N 1 0 337.261 4.144 20 30 EIEDRO COc1ccc(NC(=[NH2+])NC[C@H]2CCCCC(F)(F)C2)cc1Cl ZINC000262713378 1030549788 /nfs/dbraw/zinc/54/97/88/1030549788.db2.gz QOVIBSXHIVYJSC-NSHDSACASA-N 1 0 345.821 4.291 20 30 EIEDRO COc1ccc(NC(=[NH2+])NC[C@@H]2CCCCC(F)(F)C2)cc1Cl ZINC000262713371 1030550897 /nfs/dbraw/zinc/55/08/97/1030550897.db2.gz QOVIBSXHIVYJSC-LLVKDONJSA-N 1 0 345.821 4.291 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCOc3c(F)cccc32)c1 ZINC000191126191 1030607158 /nfs/dbraw/zinc/60/71/58/1030607158.db2.gz UECJXFJCHQWWTE-IBGZPJMESA-N 1 0 340.398 4.122 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1OC ZINC000191663188 1030635009 /nfs/dbraw/zinc/63/50/09/1030635009.db2.gz DHOSZZZWDBXAJH-GOSISDBHSA-N 1 0 339.435 4.133 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(F)c1 ZINC000527350163 1030640142 /nfs/dbraw/zinc/64/01/42/1030640142.db2.gz FKIRPMRKQLZJMF-FTXHTYHOSA-N 1 0 339.414 4.133 20 30 EIEDRO COCC[C@H]([NH2+]CCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000451694307 1030663727 /nfs/dbraw/zinc/66/37/27/1030663727.db2.gz MNOJQLBQTNIZIP-HNNXBMFYSA-N 1 0 328.378 4.312 20 30 EIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1cccc(Br)c1 ZINC000399115875 1030748139 /nfs/dbraw/zinc/74/81/39/1030748139.db2.gz GBPQGROVZRYUNY-UHFFFAOYSA-N 1 0 329.241 4.147 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000658007206 1030759198 /nfs/dbraw/zinc/75/91/98/1030759198.db2.gz YRBSVYAWFKYVDJ-BHIYHBOVSA-N 1 0 327.472 4.017 20 30 EIEDRO N#CC1(CCC[N@H+]2CCC[C@H]2c2ccc(F)cc2F)CCOCC1 ZINC000451977022 1030815892 /nfs/dbraw/zinc/81/58/92/1030815892.db2.gz ZOKMMQKCXZKRQP-SFHVURJKSA-N 1 0 334.410 4.202 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000452003794 1030818903 /nfs/dbraw/zinc/81/89/03/1030818903.db2.gz GNNRIYFCWREUJM-HUUCEWRRSA-N 1 0 345.512 4.140 20 30 EIEDRO CC[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)Oc1ccccc1F ZINC000176990537 1030832594 /nfs/dbraw/zinc/83/25/94/1030832594.db2.gz YAELZWBOTCEFBR-NVXWUHKLSA-N 1 0 342.414 4.064 20 30 EIEDRO COc1ccc(C[NH+](CCCCC#N)Cc2ccc(OC)cc2)cc1 ZINC000103144191 1030850403 /nfs/dbraw/zinc/85/04/03/1030850403.db2.gz IOPBTINTYYGCEK-UHFFFAOYSA-N 1 0 338.451 4.400 20 30 EIEDRO CC[NH+](CC)Cc1cc(NCCc2ccc(C#N)cc2)ccc1OC ZINC001167682601 1030876587 /nfs/dbraw/zinc/87/65/87/1030876587.db2.gz JMPXKGGOYDIMRN-UHFFFAOYSA-N 1 0 337.467 4.063 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000248932512 1031029626 /nfs/dbraw/zinc/02/96/26/1031029626.db2.gz XXUOXTREUMTCDS-GZBFAFLISA-N 1 0 326.362 4.361 20 30 EIEDRO CCC(C#N)(CC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000528029998 1031044295 /nfs/dbraw/zinc/04/42/95/1031044295.db2.gz UNOHYRAHULGAKY-MRXNPFEDSA-N 1 0 327.472 4.187 20 30 EIEDRO CC[N@H+](Cc1ccccc1OCCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000179464022 1031080037 /nfs/dbraw/zinc/08/00/37/1031080037.db2.gz UXDHFMDAZZKQFO-QGZVFWFLSA-N 1 0 338.451 4.167 20 30 EIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cs2)cc1OC ZINC000531356377 1031110635 /nfs/dbraw/zinc/11/06/35/1031110635.db2.gz XPIHTWPPBKACMJ-ZDUSSCGKSA-N 1 0 330.453 4.268 20 30 EIEDRO CCC[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccc(C#N)cc1 ZINC000508609416 1031148990 /nfs/dbraw/zinc/14/89/90/1031148990.db2.gz QDFXAXRLZYNCDL-UHFFFAOYSA-N 1 0 336.464 4.422 20 30 EIEDRO CC(C)CC[N@H+](CCC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000532496518 1031238678 /nfs/dbraw/zinc/23/86/78/1031238678.db2.gz XWPFMZWBKJRBRT-UHFFFAOYSA-N 1 0 333.501 4.239 20 30 EIEDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000532569250 1031304206 /nfs/dbraw/zinc/30/42/06/1031304206.db2.gz UHSLEIGGYHHSJE-AWEZNQCLSA-N 1 0 344.455 4.224 20 30 EIEDRO C=CCN1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2OC)CC1 ZINC000531535394 1031339414 /nfs/dbraw/zinc/33/94/14/1031339414.db2.gz HNUPHEMPNVPUAG-UHFFFAOYSA-N 1 0 336.479 4.102 20 30 EIEDRO CC[NH+]1CCN(c2ccc(NC3CCC(C)(C#N)CC3)c(C)c2)CC1 ZINC000449039950 1031380219 /nfs/dbraw/zinc/38/02/19/1031380219.db2.gz FQKVHSUICLBCQV-UHFFFAOYSA-N 1 0 340.515 4.021 20 30 EIEDRO CCOc1ccc(CC[NH2+]C2CCC(C)(C#N)CC2)cc1OCC ZINC000449064761 1031392554 /nfs/dbraw/zinc/39/25/54/1031392554.db2.gz QOMKROQDOBOVFT-UHFFFAOYSA-N 1 0 330.472 4.089 20 30 EIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC1CCC(C)(C#N)CC1 ZINC000449054473 1031404871 /nfs/dbraw/zinc/40/48/71/1031404871.db2.gz POHBKCFIBKWCAO-UHFFFAOYSA-N 1 0 343.540 4.428 20 30 EIEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000120000037 1031420685 /nfs/dbraw/zinc/42/06/85/1031420685.db2.gz GJTFFYIZNINYEI-LLVKDONJSA-N 1 0 331.407 4.281 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000449077223 1031432660 /nfs/dbraw/zinc/43/26/60/1031432660.db2.gz YFXBOUVYOQNZRQ-KLOIUYPJSA-N 1 0 325.456 4.158 20 30 EIEDRO Cc1ccccc1C1(C[NH2+]C2CCC(C)(C#N)CC2)CCOCC1 ZINC000449096299 1031437281 /nfs/dbraw/zinc/43/72/81/1031437281.db2.gz GGYJWGMIHNKRTH-UHFFFAOYSA-N 1 0 326.484 4.105 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000449096545 1031454822 /nfs/dbraw/zinc/45/48/22/1031454822.db2.gz IORRDZQMGSEPLN-UHFFFAOYSA-N 1 0 346.902 4.450 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(=O)[nH]n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000375897303 1031460789 /nfs/dbraw/zinc/46/07/89/1031460789.db2.gz GLDAMKHPDUMGJY-GJZGRUSLSA-N 1 0 344.418 4.133 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(=O)[nH]n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000375897304 1031461626 /nfs/dbraw/zinc/46/16/26/1031461626.db2.gz GLDAMKHPDUMGJY-HUUCEWRRSA-N 1 0 344.418 4.133 20 30 EIEDRO Cc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)c(OCC(F)(F)F)c1 ZINC000449198074 1031542896 /nfs/dbraw/zinc/54/28/96/1031542896.db2.gz ZRPYRXLYGTYBBL-UHFFFAOYSA-N 1 0 340.389 4.498 20 30 EIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000548932770 1031553368 /nfs/dbraw/zinc/55/33/68/1031553368.db2.gz GHWWMSKPCNCVSJ-ROUUACIJSA-N 1 0 349.478 4.035 20 30 EIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449225717 1031558039 /nfs/dbraw/zinc/55/80/39/1031558039.db2.gz LBPLFOMFTCNJHC-WJFWJRBTSA-N 1 0 342.409 4.185 20 30 EIEDRO C[NH+](C)CCc1ccc(NCc2cccc(OCCCC#N)c2)cc1 ZINC000125779315 1031617944 /nfs/dbraw/zinc/61/79/44/1031617944.db2.gz QBWDPQSYOZGWMM-UHFFFAOYSA-N 1 0 337.467 4.085 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449331622 1031626387 /nfs/dbraw/zinc/62/63/87/1031626387.db2.gz OOPUMGIMPGQIOF-AWEZNQCLSA-N 1 0 339.252 4.495 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(Br)cc3)CCC2)o1 ZINC000236679105 1031646735 /nfs/dbraw/zinc/64/67/35/1031646735.db2.gz NYKYLVORQMQBTC-UHFFFAOYSA-N 1 0 345.240 4.125 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000449365828 1031661627 /nfs/dbraw/zinc/66/16/27/1031661627.db2.gz QLZWFPUCPGAJOC-QGZVFWFLSA-N 1 0 338.476 4.348 20 30 EIEDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444680 1031738494 /nfs/dbraw/zinc/73/84/94/1031738494.db2.gz CICHYZQFPMMDLV-YOEHRIQHSA-N 1 0 328.847 4.006 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000449444624 1031739100 /nfs/dbraw/zinc/73/91/00/1031739100.db2.gz BSEWCRCWCJCWIP-ZFWWWQNUSA-N 1 0 348.372 4.063 20 30 EIEDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)CO2 ZINC000453232143 1031751813 /nfs/dbraw/zinc/75/18/13/1031751813.db2.gz GYWCOFUTVYTIBR-UYAOXDASSA-N 1 0 336.435 4.023 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453239491 1031761831 /nfs/dbraw/zinc/76/18/31/1031761831.db2.gz XBVPNLPGVDREHO-ZWKOTPCHSA-N 1 0 334.891 4.350 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCCc2ncccc2C)ccc1OC ZINC000449486027 1031797459 /nfs/dbraw/zinc/79/74/59/1031797459.db2.gz SGRHCGQPMZTXHS-UHFFFAOYSA-N 1 0 340.467 4.076 20 30 EIEDRO COC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(C(F)(F)F)c1 ZINC000453285564 1031805485 /nfs/dbraw/zinc/80/54/85/1031805485.db2.gz BNUHOYDGHQMKOL-RCBQFDQVSA-N 1 0 326.362 4.065 20 30 EIEDRO CC(C)[C@H]1C[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC000449500995 1031809686 /nfs/dbraw/zinc/80/96/86/1031809686.db2.gz VPMHGFRKMIOHOG-NTYOPAKOSA-N 1 0 340.511 4.431 20 30 EIEDRO C=CCC1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCC1 ZINC000449507310 1031813614 /nfs/dbraw/zinc/81/36/14/1031813614.db2.gz DVIPCELLKCGKBX-UHFFFAOYSA-N 1 0 326.484 4.035 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000453296950 1031816553 /nfs/dbraw/zinc/81/65/53/1031816553.db2.gz UZJLTXXBAXAHGX-QSFXBCCZSA-N 1 0 335.407 4.356 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000453296952 1031816598 /nfs/dbraw/zinc/81/65/98/1031816598.db2.gz UZJLTXXBAXAHGX-ZAAXVRCTSA-N 1 0 335.407 4.356 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000449517060 1031818366 /nfs/dbraw/zinc/81/83/66/1031818366.db2.gz ISNLFJIEYPKRLH-UXHICEINSA-N 1 0 327.468 4.033 20 30 EIEDRO C[C@H](C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000528774050 1031846368 /nfs/dbraw/zinc/84/63/68/1031846368.db2.gz PGKBYWRIQNLMHK-OAHLLOKOSA-N 1 0 338.455 4.256 20 30 EIEDRO Cc1cc(C)c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c(C)c1 ZINC000528785507 1031851274 /nfs/dbraw/zinc/85/12/74/1031851274.db2.gz XWKGMXSEVVKPPK-UHFFFAOYSA-N 1 0 334.463 4.279 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000453338735 1031863080 /nfs/dbraw/zinc/86/30/80/1031863080.db2.gz CPLVNQMBSCJSFP-GXTWGEPZSA-N 1 0 334.460 4.235 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000453339668 1031864288 /nfs/dbraw/zinc/86/42/88/1031864288.db2.gz BHXCKZVZSYIPMS-INMHGKMJSA-N 1 0 326.465 4.121 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000453339669 1031864991 /nfs/dbraw/zinc/86/49/91/1031864991.db2.gz BHXCKZVZSYIPMS-VYDXJSESSA-N 1 0 326.465 4.121 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000449630100 1031891640 /nfs/dbraw/zinc/89/16/40/1031891640.db2.gz UWRXRKRXAPPCEF-SJLPKXTDSA-N 1 0 329.465 4.323 20 30 EIEDRO N#CCc1cccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000449697236 1031935935 /nfs/dbraw/zinc/93/59/35/1031935935.db2.gz LDDUJAHJDMBALN-KSEOMHKRSA-N 1 0 331.463 4.075 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000053088177 1032013581 /nfs/dbraw/zinc/01/35/81/1032013581.db2.gz FBXAXYMEBPLDKL-ZDUSSCGKSA-N 1 0 345.443 4.171 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000449790086 1032016349 /nfs/dbraw/zinc/01/63/49/1032016349.db2.gz JOWNDIDSHWXBDV-UKRRQHHQSA-N 1 0 331.872 4.484 20 30 EIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000453608324 1032043310 /nfs/dbraw/zinc/04/33/10/1032043310.db2.gz GQOUVWBFFVBPGZ-HNNXBMFYSA-N 1 0 336.277 4.311 20 30 EIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)ccc1C#N ZINC000549840436 1033295878 /nfs/dbraw/zinc/29/58/78/1033295878.db2.gz YLLOOSGTYJZXGR-OAHLLOKOSA-N 1 0 334.398 4.042 20 30 EIEDRO C=C(C)C[N@@H+](CCCc1ccccc1OC)Cc1cnn(C(C)C)c1 ZINC000512557524 1033339954 /nfs/dbraw/zinc/33/99/54/1033339954.db2.gz SUWMCFPTRSVGON-UHFFFAOYSA-N 1 0 341.499 4.484 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000429841475 1033394731 /nfs/dbraw/zinc/39/47/31/1033394731.db2.gz XJCCWLMMMYBGNP-KRWDZBQOSA-N 1 0 328.500 4.280 20 30 EIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000429843927 1033398484 /nfs/dbraw/zinc/39/84/84/1033398484.db2.gz WWXGUFMXRNUCNR-UHFFFAOYSA-N 1 0 349.459 4.395 20 30 EIEDRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C ZINC000512581174 1033428430 /nfs/dbraw/zinc/42/84/30/1033428430.db2.gz GHZRIRYITHEBJQ-UHFFFAOYSA-N 1 0 347.462 4.026 20 30 EIEDRO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccc(OCC#N)cc1 ZINC000245900464 1033440517 /nfs/dbraw/zinc/44/05/17/1033440517.db2.gz NUZMHHPOUIIEGT-ZLGUVYLKSA-N 1 0 336.435 4.160 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)c1ccc(C#N)cc1F ZINC000512628693 1033563315 /nfs/dbraw/zinc/56/33/15/1033563315.db2.gz GFPVCCBCBXVDKW-UONOGXRCSA-N 1 0 340.398 4.098 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000512636230 1033578627 /nfs/dbraw/zinc/57/86/27/1033578627.db2.gz KOEWESLLMQOORP-HOCLYGCPSA-N 1 0 341.405 4.156 20 30 EIEDRO C[C@@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc(C#N)cc1F ZINC000512647168 1033598230 /nfs/dbraw/zinc/59/82/30/1033598230.db2.gz GSGDSYAHKNXYEF-GFCCVEGCSA-N 1 0 331.460 4.345 20 30 EIEDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)Nc1ccccc1 ZINC000512655281 1033627061 /nfs/dbraw/zinc/62/70/61/1033627061.db2.gz SSOMUWQJYUYFHR-FOIQADDNSA-N 1 0 325.431 4.485 20 30 EIEDRO C[C@H]([NH2+]CCCCOCc1ccccc1)c1ccc(C#N)cc1F ZINC000512659411 1033646922 /nfs/dbraw/zinc/64/69/22/1033646922.db2.gz GOKAOYDFQUGANZ-INIZCTEOSA-N 1 0 326.415 4.345 20 30 EIEDRO N#CCCC[C@@H](NCc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000433012368 1033651814 /nfs/dbraw/zinc/65/18/14/1033651814.db2.gz KDJLGGCYHPDZTL-GOSISDBHSA-N 1 0 332.407 4.261 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccc(-n2cccn2)c1 ZINC000512661368 1033652531 /nfs/dbraw/zinc/65/25/31/1033652531.db2.gz RODMIASVKRZSGF-HUUCEWRRSA-N 1 0 334.398 4.295 20 30 EIEDRO Cc1ccc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433014645 1033658502 /nfs/dbraw/zinc/65/85/02/1033658502.db2.gz GFFJZJJHXRLRPM-FQEVSTJZSA-N 1 0 335.451 4.267 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666055 1033662137 /nfs/dbraw/zinc/66/21/37/1033662137.db2.gz IJBWLFVHDMZQSX-IIBYNOLFSA-N 1 0 337.442 4.185 20 30 EIEDRO C[C@@H](NCC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667023 1033667077 /nfs/dbraw/zinc/66/70/77/1033667077.db2.gz NPHKPTKPOGHIPH-IAGOWNOFSA-N 1 0 339.458 4.259 20 30 EIEDRO Cc1ccc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1C ZINC000433018948 1033668013 /nfs/dbraw/zinc/66/80/13/1033668013.db2.gz GZVLJZBARSHEHR-HXUWFJFHSA-N 1 0 335.451 4.267 20 30 EIEDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000433026705 1033675141 /nfs/dbraw/zinc/67/51/41/1033675141.db2.gz QONPRDMYWXAJRR-QGZVFWFLSA-N 1 0 334.467 4.228 20 30 EIEDRO CCN(C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000433028645 1033696472 /nfs/dbraw/zinc/69/64/72/1033696472.db2.gz CPLKEVRNRVSXQS-FQEVSTJZSA-N 1 0 341.499 4.192 20 30 EIEDRO CC[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000433093303 1033834705 /nfs/dbraw/zinc/83/47/05/1033834705.db2.gz TWECHXNKHDCWIX-ORFBVSJDSA-N 1 0 334.463 4.155 20 30 EIEDRO C=CCN(CCc1ccco1)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000411484741 1033937700 /nfs/dbraw/zinc/93/77/00/1033937700.db2.gz HPNRITLVZODLPA-INIZCTEOSA-N 1 0 337.423 4.045 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000512826487 1034025530 /nfs/dbraw/zinc/02/55/30/1034025530.db2.gz DYHARODRCUVKOT-UHFFFAOYSA-N 1 0 344.817 4.394 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000614396881 1034537106 /nfs/dbraw/zinc/53/71/06/1034537106.db2.gz XGWPSPOQHRSXMQ-FGZHOGPDSA-N 1 0 334.463 4.466 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1Cl ZINC000430090582 1034576534 /nfs/dbraw/zinc/57/65/34/1034576534.db2.gz ODAUYYKZHZZBNZ-JKSUJKDBSA-N 1 0 327.802 4.382 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000729268063 1034768702 /nfs/dbraw/zinc/76/87/02/1034768702.db2.gz JKVOJHBBNIGQMH-UHFFFAOYSA-N 1 0 338.426 4.183 20 30 EIEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000729316530 1034780867 /nfs/dbraw/zinc/78/08/67/1034780867.db2.gz LRCVRALZUSZZNE-NHCUHLMSSA-N 1 0 347.462 4.155 20 30 EIEDRO COc1ccc(-c2cc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)on2)cc1 ZINC000614479712 1034859895 /nfs/dbraw/zinc/85/98/95/1034859895.db2.gz NXKZPWYTSLNICN-HNNXBMFYSA-N 1 0 347.418 4.415 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(Cl)c1 ZINC000513323034 1034877556 /nfs/dbraw/zinc/87/75/56/1034877556.db2.gz AOEGHZXPVUEZQB-UHFFFAOYSA-N 1 0 326.827 4.408 20 30 EIEDRO COc1ccc(C#N)cc1NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000513352184 1034888148 /nfs/dbraw/zinc/88/81/48/1034888148.db2.gz ORVAHOOKFFQERI-YJBOKZPZSA-N 1 0 327.472 4.022 20 30 EIEDRO CCN(Cc1ccc(OCc2ccc(F)cc2)cc1)C[C@H](C)C#N ZINC000513406091 1034919752 /nfs/dbraw/zinc/91/97/52/1034919752.db2.gz MTSOPXZFFYLRBW-MRXNPFEDSA-N 1 0 326.415 4.386 20 30 EIEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000513412843 1034931901 /nfs/dbraw/zinc/93/19/01/1034931901.db2.gz DAXTZWPPKNHLJP-IBGZPJMESA-N 1 0 333.435 4.048 20 30 EIEDRO [NH2+]=C(Nc1ccccn1)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000262818741 1034986139 /nfs/dbraw/zinc/98/61/39/1034986139.db2.gz PEGSUVVIBDLRHZ-HAQNSBGRSA-N 1 0 335.238 4.061 20 30 EIEDRO C=CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000664212320 1035066864 /nfs/dbraw/zinc/06/68/64/1035066864.db2.gz IJCIOZYQJJIMPP-RDJZCZTQSA-N 1 0 349.544 4.175 20 30 EIEDRO CCCN1Cc2cccc(NC(=O)c3ccc(C(C)(C)C#N)cc3)c2C1 ZINC000280126846 1035182611 /nfs/dbraw/zinc/18/26/11/1035182611.db2.gz CDJIONORUQUQGW-UHFFFAOYSA-N 1 0 347.462 4.466 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000280706425 1035328002 /nfs/dbraw/zinc/32/80/02/1035328002.db2.gz CXBNWVWLNLEDIE-FVJLSDCUSA-N 1 0 344.499 4.098 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2CC(C)C)c1C ZINC000501098057 1035376576 /nfs/dbraw/zinc/37/65/76/1035376576.db2.gz CIRQFYOGZVITRR-IBGZPJMESA-N 1 0 341.499 4.061 20 30 EIEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490548017 1035505625 /nfs/dbraw/zinc/50/56/25/1035505625.db2.gz ROSFWTHYXMYLCL-LJQANCHMSA-N 1 0 336.483 4.359 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(Cl)s3)CCOCC2)c1 ZINC000594982207 1035514015 /nfs/dbraw/zinc/51/40/15/1035514015.db2.gz ACTGCGALJFHERG-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1CNCC1(C#N)CCCCC1 ZINC000594995758 1035522794 /nfs/dbraw/zinc/52/27/94/1035522794.db2.gz SHINTGLNAFAGDN-UHFFFAOYSA-N 1 0 340.446 4.192 20 30 EIEDRO COc1cccc(OC)c1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000595074690 1035544623 /nfs/dbraw/zinc/54/46/23/1035544623.db2.gz UARLXNKISGDSLS-LJQANCHMSA-N 1 0 336.435 4.133 20 30 EIEDRO C=CCC[C@H](O)C[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000484993813 1035569744 /nfs/dbraw/zinc/56/97/44/1035569744.db2.gz DRGBTWCBQOAWAO-LBPRGKRZSA-N 1 0 333.781 4.265 20 30 EIEDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)c2ccccc21 ZINC000595090216 1035599608 /nfs/dbraw/zinc/59/96/08/1035599608.db2.gz FZORMLIBQFCPNV-RBUKOAKNSA-N 1 0 340.467 4.232 20 30 EIEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000595091075 1035601024 /nfs/dbraw/zinc/60/10/24/1035601024.db2.gz MZKKUYKYUXGXNG-HNNXBMFYSA-N 1 0 340.471 4.095 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2n1 ZINC000595297765 1035627601 /nfs/dbraw/zinc/62/76/01/1035627601.db2.gz YDBQVMRMLPHAQJ-UHFFFAOYSA-N 1 0 330.435 4.160 20 30 EIEDRO C[C@H]1C[C@@H]([N@H+](C)CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000595342640 1035634674 /nfs/dbraw/zinc/63/46/74/1035634674.db2.gz FNQJRCJGPGMOJA-CVDCTZTESA-N 1 0 347.506 4.086 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCc1ccc(C#N)cc1 ZINC000595304872 1035639945 /nfs/dbraw/zinc/63/99/45/1035639945.db2.gz OSONQNLXXCUVEC-UHFFFAOYSA-N 1 0 344.462 4.055 20 30 EIEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000595433936 1035679748 /nfs/dbraw/zinc/67/97/48/1035679748.db2.gz XBKSQHVCFUREON-SFTDATJTSA-N 1 0 338.426 4.092 20 30 EIEDRO C=CCCC[C@H](C(=O)N1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000913386927 1035694107 /nfs/dbraw/zinc/69/41/07/1035694107.db2.gz KIKCXYWDAWDDGF-IBGZPJMESA-N 1 0 328.500 4.069 20 30 EIEDRO CCCC[N@H+](CCc1ccc(C#N)cc1)[C@@H]1CCc2ncsc2C1 ZINC000595566554 1035696183 /nfs/dbraw/zinc/69/61/83/1035696183.db2.gz HDNDOZNWFMKFBW-GOSISDBHSA-N 1 0 339.508 4.217 20 30 EIEDRO Cc1ccccc1[C@@H](C)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000485116381 1035704129 /nfs/dbraw/zinc/70/41/29/1035704129.db2.gz CLDYMBNCSWFMEH-QGZVFWFLSA-N 1 0 347.462 4.278 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2cnc(C3CCC3)s2)c1 ZINC000905078138 1035721218 /nfs/dbraw/zinc/72/12/18/1035721218.db2.gz LSVZLJSIVBQDKM-KTKRTIGZSA-N 1 0 326.465 4.368 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)c1 ZINC000151372428 1035740668 /nfs/dbraw/zinc/74/06/68/1035740668.db2.gz FYDSWNXDEHKXAD-QGZVFWFLSA-N 1 0 345.215 4.237 20 30 EIEDRO CC(C)([NH2+]Cc1cccc(F)c1OC(F)F)c1cccc(C#N)c1 ZINC000595633508 1035743324 /nfs/dbraw/zinc/74/33/24/1035743324.db2.gz TVPDSQCQTGYQRO-UHFFFAOYSA-N 1 0 334.341 4.324 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000595603142 1035745676 /nfs/dbraw/zinc/74/56/76/1035745676.db2.gz FYDYFRMJRFSDRB-OAHLLOKOSA-N 1 0 331.485 4.041 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000595609182 1035749139 /nfs/dbraw/zinc/74/91/39/1035749139.db2.gz HQMJNMXPHVEPFJ-QGZVFWFLSA-N 1 0 333.435 4.065 20 30 EIEDRO N#CC[C@H]1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)C1 ZINC000595610497 1035750800 /nfs/dbraw/zinc/75/08/00/1035750800.db2.gz ZTXAHPZBHIJNKG-LJQANCHMSA-N 1 0 334.463 4.418 20 30 EIEDRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1)c1cccc2ccccc21 ZINC000595614396 1035752369 /nfs/dbraw/zinc/75/23/69/1035752369.db2.gz HJMZHALZFUXEJE-OKZBNKHCSA-N 1 0 349.478 4.031 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595643671 1035753977 /nfs/dbraw/zinc/75/39/77/1035753977.db2.gz YDIDLEROGLBSGP-UHFFFAOYSA-N 1 0 335.451 4.145 20 30 EIEDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000595643300 1035755180 /nfs/dbraw/zinc/75/51/80/1035755180.db2.gz XHNUYQZSCTVXGO-CABCVRRESA-N 1 0 347.528 4.291 20 30 EIEDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000595641223 1035756869 /nfs/dbraw/zinc/75/68/69/1035756869.db2.gz FTQHTOHZRCLXRK-LSDHHAIUSA-N 1 0 347.528 4.434 20 30 EIEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccc1F ZINC000595686262 1035759741 /nfs/dbraw/zinc/75/97/41/1035759741.db2.gz UXZAIXOYOHOOPE-FQEVSTJZSA-N 1 0 339.414 4.013 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CCc3ccccc3Cl)CCOCC2)c1 ZINC000595774181 1035783105 /nfs/dbraw/zinc/78/31/05/1035783105.db2.gz PLFPSTQPJZBDHL-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)cc1 ZINC000595827658 1035801306 /nfs/dbraw/zinc/80/13/06/1035801306.db2.gz DZZAAXVJWJCIMF-UHFFFAOYSA-N 1 0 332.447 4.112 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CC3CCC3)o2)cc1 ZINC000595870720 1035804810 /nfs/dbraw/zinc/80/48/10/1035804810.db2.gz JXMWASUYHUMVAS-GOSISDBHSA-N 1 0 336.439 4.153 20 30 EIEDRO CC(C)(CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000586789138 1035847384 /nfs/dbraw/zinc/84/73/84/1035847384.db2.gz JCXBINFNQPBSJR-UHFFFAOYSA-N 1 0 347.506 4.485 20 30 EIEDRO Cc1ccc([C@@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000586790230 1035847560 /nfs/dbraw/zinc/84/75/60/1035847560.db2.gz RDMDRMBPVBEIQK-SFHVURJKSA-N 1 0 333.479 4.229 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cccc(F)c1 ZINC000593184208 1035895766 /nfs/dbraw/zinc/89/57/66/1035895766.db2.gz ZTPXFYNTEIGRRL-INIZCTEOSA-N 1 0 337.442 4.013 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2cccc(COc3ccccc3)c2)c1 ZINC000055172231 1035897865 /nfs/dbraw/zinc/89/78/65/1035897865.db2.gz LAMSOTSXVOWINU-UHFFFAOYSA-N 1 0 328.415 4.427 20 30 EIEDRO C[C@H]([NH2+][C@H]1C[C@H](CO)c2ccccc21)c1ccc(C#N)cc1Cl ZINC000366743026 1035905513 /nfs/dbraw/zinc/90/55/13/1035905513.db2.gz JOZMESBEDCKADP-CFZJUORYSA-N 1 0 326.827 4.083 20 30 EIEDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1Cl)CC2 ZINC000366743856 1035906274 /nfs/dbraw/zinc/90/62/74/1035906274.db2.gz KHKCJOVWQKEYLE-BBRMVZONSA-N 1 0 342.874 4.197 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3cc(N)ccc32)CC1 ZINC000596649632 1035964801 /nfs/dbraw/zinc/96/48/01/1035964801.db2.gz DGNPBPPQRWBCFU-NJEKYYFSSA-N 1 0 331.463 4.250 20 30 EIEDRO CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000761192376 1036004591 /nfs/dbraw/zinc/00/45/91/1036004591.db2.gz MFIAVKZNGUWEPQ-OAHLLOKOSA-N 1 0 345.487 4.244 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+](CCO)[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000597011069 1036068750 /nfs/dbraw/zinc/06/87/50/1036068750.db2.gz TUJKXPYCWANCMC-JOCHJYFZSA-N 1 0 346.474 4.114 20 30 EIEDRO CCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000597011860 1036069243 /nfs/dbraw/zinc/06/92/43/1036069243.db2.gz GHJORUXPFBHDEI-ZCNNSNEGSA-N 1 0 338.495 4.267 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596997102 1036072985 /nfs/dbraw/zinc/07/29/85/1036072985.db2.gz OXKXEIPLZNGIFA-DBXWQHBBSA-N 1 0 337.511 4.079 20 30 EIEDRO C=CCc1cc(C[N@@H+](CC)[C@@H](CC)c2ccncc2)c(O)c(OC)c1 ZINC000164400330 1036076300 /nfs/dbraw/zinc/07/63/00/1036076300.db2.gz GZOQTCYNNRAEJI-IBGZPJMESA-N 1 0 340.467 4.498 20 30 EIEDRO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597015262 1036076938 /nfs/dbraw/zinc/07/69/38/1036076938.db2.gz TWHVSNXHDSZWEZ-SFHVURJKSA-N 1 0 332.447 4.240 20 30 EIEDRO N#C[C@H]1CC[C@H](Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000571563125 1036088334 /nfs/dbraw/zinc/08/83/34/1036088334.db2.gz QMJIRYXDWPQKFX-WMZOPIPTSA-N 1 0 329.513 4.369 20 30 EIEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CCCC2)CC1 ZINC000571603044 1036091498 /nfs/dbraw/zinc/09/14/98/1036091498.db2.gz SWKQYTBTDOYIJY-AWEZNQCLSA-N 1 0 345.874 4.195 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)Cc2cccs2)ccc1OC ZINC000237164167 1036095811 /nfs/dbraw/zinc/09/58/11/1036095811.db2.gz MJIFOCYQEDGXKZ-OAHLLOKOSA-N 1 0 331.481 4.432 20 30 EIEDRO N#CC1(c2ccc(C[NH+]3CCC(Cc4cccnc4)CC3)cc2)CC1 ZINC000597083336 1036096404 /nfs/dbraw/zinc/09/64/04/1036096404.db2.gz ZDTOGBUHUJSAHZ-UHFFFAOYSA-N 1 0 331.463 4.091 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CC[C@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC000597079871 1036096833 /nfs/dbraw/zinc/09/68/33/1036096833.db2.gz IWOHDRBQHYBCCX-FQEVSTJZSA-N 1 0 336.410 4.034 20 30 EIEDRO Cc1cnc(C2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)s1 ZINC000597116673 1036105473 /nfs/dbraw/zinc/10/54/73/1036105473.db2.gz HMGODZZEKKIPQW-UHFFFAOYSA-N 1 0 337.492 4.386 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000597173163 1036143073 /nfs/dbraw/zinc/14/30/73/1036143073.db2.gz GQDPZDJYJYUGNE-AWEZNQCLSA-N 1 0 348.372 4.017 20 30 EIEDRO N#CC[C@H]1CCC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000597174430 1036144251 /nfs/dbraw/zinc/14/42/51/1036144251.db2.gz QCOAETRVMNKAHZ-QGZVFWFLSA-N 1 0 330.435 4.151 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC000597178254 1036146326 /nfs/dbraw/zinc/14/63/26/1036146326.db2.gz WQIXXFJPWLQIEP-LBPRGKRZSA-N 1 0 333.229 4.321 20 30 EIEDRO N#CC[C@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000597178196 1036146774 /nfs/dbraw/zinc/14/67/74/1036146774.db2.gz WGVLJINGOOXLBY-OAHLLOKOSA-N 1 0 325.387 4.139 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000597187197 1036151189 /nfs/dbraw/zinc/15/11/89/1036151189.db2.gz LZCBIHCAQKXFGX-QGZVFWFLSA-N 1 0 328.456 4.166 20 30 EIEDRO N#Cc1ccc(F)c(CN2CCC(c3cccc(F)c3F)CC2)c1 ZINC000571732806 1036158901 /nfs/dbraw/zinc/15/89/01/1036158901.db2.gz FOXWPNRNGHLYEQ-UHFFFAOYSA-N 1 0 330.353 4.355 20 30 EIEDRO COc1cc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)ccc1C#N ZINC000597239995 1036167050 /nfs/dbraw/zinc/16/70/50/1036167050.db2.gz UGIXENQMJOWNSU-UHFFFAOYSA-N 1 0 346.430 4.007 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000597224371 1036170670 /nfs/dbraw/zinc/17/06/70/1036170670.db2.gz HESLHERGAYBKTG-PZJWPPBQSA-N 1 0 342.483 4.150 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NCC[N@H+]2CCCC[C@H]2CC)c1 ZINC000502430114 1036191362 /nfs/dbraw/zinc/19/13/62/1036191362.db2.gz GBPOYNFHCUDEKO-GOSISDBHSA-N 1 0 345.487 4.028 20 30 EIEDRO C=CC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)CC1CCCCC1 ZINC000601755479 1036230016 /nfs/dbraw/zinc/23/00/16/1036230016.db2.gz GIURDSRBEISLND-UHFFFAOYSA-N 1 0 330.501 4.112 20 30 EIEDRO O=C1c2ccccc2C(Nc2[nH+]ccc3c2CCN3)=C1c1ccccc1 ZINC001168411418 1036259735 /nfs/dbraw/zinc/25/97/35/1036259735.db2.gz VKZLIVZAUUKQJU-UHFFFAOYSA-N 1 0 339.398 4.226 20 30 EIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000571805821 1036260949 /nfs/dbraw/zinc/26/09/49/1036260949.db2.gz GNIDKDXRCGKLML-CQSZACIVSA-N 1 0 339.395 4.104 20 30 EIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000571805819 1036261108 /nfs/dbraw/zinc/26/11/08/1036261108.db2.gz GNIDKDXRCGKLML-AWEZNQCLSA-N 1 0 339.395 4.104 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2CC(c3cccc(Br)c3)C2)s1 ZINC000421346736 1036289995 /nfs/dbraw/zinc/28/99/95/1036289995.db2.gz AIMLXUXFZQEDEQ-UHFFFAOYSA-N 1 0 347.281 4.418 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000588231639 1036307677 /nfs/dbraw/zinc/30/76/77/1036307677.db2.gz DWRQZHINGXYACE-HNNXBMFYSA-N 1 0 326.362 4.492 20 30 EIEDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502555262 1036344231 /nfs/dbraw/zinc/34/42/31/1036344231.db2.gz WATFJFOIEGYJSR-HNNXBMFYSA-N 1 0 333.391 4.317 20 30 EIEDRO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C[C@H](C)CCC#N ZINC000602428979 1036444149 /nfs/dbraw/zinc/44/41/49/1036444149.db2.gz AUKOXUDFZCKHQF-GFCCVEGCSA-N 1 0 342.270 4.194 20 30 EIEDRO C[C@@H](CCC#N)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000602456616 1036455010 /nfs/dbraw/zinc/45/50/10/1036455010.db2.gz AWSGLNYWYJMZJQ-KRWDZBQOSA-N 1 0 325.431 4.205 20 30 EIEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC(C)(C)C1 ZINC000414529012 1036472050 /nfs/dbraw/zinc/47/20/50/1036472050.db2.gz BXMWRWBNCXNXMN-UHFFFAOYSA-N 1 0 336.483 4.474 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000602522679 1036480812 /nfs/dbraw/zinc/48/08/12/1036480812.db2.gz WIGQKOHNMOAQLW-HNNXBMFYSA-N 1 0 339.414 4.107 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000602525779 1036493351 /nfs/dbraw/zinc/49/33/51/1036493351.db2.gz CIKSCTMKQSRQPY-MRXNPFEDSA-N 1 0 330.472 4.052 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000602529571 1036493541 /nfs/dbraw/zinc/49/35/41/1036493541.db2.gz QEMJBBFGMROITK-OAHLLOKOSA-N 1 0 339.414 4.107 20 30 EIEDRO C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CCC(C#N)CC1 ZINC000602572244 1036498426 /nfs/dbraw/zinc/49/84/26/1036498426.db2.gz DGDAWFIOLUEUOQ-DCBWTQNWSA-N 1 0 339.252 4.191 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c(OC(C)(C)C)c1 ZINC000602571725 1036498816 /nfs/dbraw/zinc/49/88/16/1036498816.db2.gz XAJGVTVTGKISGV-QGZVFWFLSA-N 1 0 344.499 4.361 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000602572842 1036500403 /nfs/dbraw/zinc/50/04/03/1036500403.db2.gz TXKPFEJAWRNQTO-YOEHRIQHSA-N 1 0 346.446 4.116 20 30 EIEDRO CCN1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000602579680 1036509726 /nfs/dbraw/zinc/50/97/26/1036509726.db2.gz AGVJATJOBQICGJ-ZFLCWFNBSA-N 1 0 349.881 4.286 20 30 EIEDRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602579665 1036511524 /nfs/dbraw/zinc/51/15/24/1036511524.db2.gz ABAOCYSMISAGKU-WWGRRREGSA-N 1 0 339.277 4.055 20 30 EIEDRO Cn1c2ccccc2nc1[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602585670 1036514126 /nfs/dbraw/zinc/51/41/26/1036514126.db2.gz HXYMLVSATXAXBK-IAYYMHMVSA-N 1 0 344.462 4.335 20 30 EIEDRO Cc1ccc(C2(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)CC2)c(C)c1 ZINC000602673753 1036554311 /nfs/dbraw/zinc/55/43/11/1036554311.db2.gz NAFGFMSZNYTEDM-SFHVURJKSA-N 1 0 326.484 4.024 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000602711697 1036583817 /nfs/dbraw/zinc/58/38/17/1036583817.db2.gz JIGGNIODPMVBKK-OLMNPRSZSA-N 1 0 328.456 4.086 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000602713411 1036585502 /nfs/dbraw/zinc/58/55/02/1036585502.db2.gz AAQRONPDDRRJCU-LAUBAEHRSA-N 1 0 326.484 4.043 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000602719749 1036593046 /nfs/dbraw/zinc/59/30/46/1036593046.db2.gz GGCDYEKOGJFMNR-ZJUUUORDSA-N 1 0 331.204 4.318 20 30 EIEDRO N#CCCn1cc(C[NH+]2CCC(CCF)CC2)c(-c2ccccc2)n1 ZINC000602735253 1036598930 /nfs/dbraw/zinc/59/89/30/1036598930.db2.gz VHCYZTIMFCTEFI-UHFFFAOYSA-N 1 0 340.446 4.035 20 30 EIEDRO CC(C)CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C ZINC000588953769 1036634895 /nfs/dbraw/zinc/63/48/95/1036634895.db2.gz KQLOOWJZZNMLOO-LJQANCHMSA-N 1 0 342.531 4.363 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602895539 1036667164 /nfs/dbraw/zinc/66/71/64/1036667164.db2.gz QBABDEKKERBAHI-INIZCTEOSA-N 1 0 330.435 4.067 20 30 EIEDRO N#CCC1(C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)CC1 ZINC000602916677 1036679300 /nfs/dbraw/zinc/67/93/00/1036679300.db2.gz PZJVUICYRDREIX-UHFFFAOYSA-N 1 0 342.487 4.066 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907676553 1036691557 /nfs/dbraw/zinc/69/15/57/1036691557.db2.gz KKGZGCUVPBCVPA-HKUYNNGSSA-N 1 0 326.484 4.494 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)c2ccccc21 ZINC000598603005 1036703258 /nfs/dbraw/zinc/70/32/58/1036703258.db2.gz DXELEEUKJLSQKO-KGLIPLIRSA-N 1 0 330.859 4.445 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Cl)c2ccccc21 ZINC000598603006 1036703794 /nfs/dbraw/zinc/70/37/94/1036703794.db2.gz DXELEEUKJLSQKO-UONOGXRCSA-N 1 0 330.859 4.445 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Oc2ccccc2)cc1 ZINC000598603646 1036706723 /nfs/dbraw/zinc/70/67/23/1036706723.db2.gz XSVVVNQUXVBQDH-AEFFLSMTSA-N 1 0 338.451 4.430 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000598592003 1036709898 /nfs/dbraw/zinc/70/98/98/1036709898.db2.gz DOCFSPWYHSZMSV-NHCUHLMSSA-N 1 0 334.463 4.087 20 30 EIEDRO Cc1ccccc1C([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1C ZINC000598604966 1036720066 /nfs/dbraw/zinc/72/00/66/1036720066.db2.gz QUECGIAXWAEXEN-SFHVURJKSA-N 1 0 336.479 4.283 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000589279335 1036729364 /nfs/dbraw/zinc/72/93/64/1036729364.db2.gz MXKVPEZHVDCSIN-OAQYLSRUSA-N 1 0 345.490 4.125 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000589292654 1036734032 /nfs/dbraw/zinc/73/40/32/1036734032.db2.gz GFAHXEMDOGXWGH-NRFANRHFSA-N 1 0 332.447 4.051 20 30 EIEDRO CCC1(CC)CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000593594802 1036736741 /nfs/dbraw/zinc/73/67/41/1036736741.db2.gz YXAHXWYTJYZEPZ-UHFFFAOYSA-N 1 0 340.515 4.261 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCOc1ccc3ccccc3c1)CC2 ZINC000589337115 1036738691 /nfs/dbraw/zinc/73/86/91/1036738691.db2.gz HRVGFKVGIKTAJA-JOCHJYFZSA-N 1 0 328.415 4.367 20 30 EIEDRO CO[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000589341685 1036740154 /nfs/dbraw/zinc/74/01/54/1036740154.db2.gz GNGHLKGJPHOUFC-RTBURBONSA-N 1 0 326.827 4.176 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)c2ccc(C[NH+](CC)CC)o2)c1 ZINC000589382874 1036753359 /nfs/dbraw/zinc/75/33/59/1036753359.db2.gz PCJDYOCFVFAHDJ-UHFFFAOYSA-N 1 0 342.439 4.329 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1Sc1ccccc1 ZINC000598721190 1036759129 /nfs/dbraw/zinc/75/91/29/1036759129.db2.gz SZXFNTARBLOTQR-KRWDZBQOSA-N 1 0 340.492 4.228 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000598724800 1036763028 /nfs/dbraw/zinc/76/30/28/1036763028.db2.gz QZMUZYDBQSSTDV-IHRRRGAJSA-N 1 0 341.282 4.130 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)CC3 ZINC000486541595 1036764381 /nfs/dbraw/zinc/76/43/81/1036764381.db2.gz TWAWEYFRKSQHPA-INIZCTEOSA-N 1 0 333.410 4.134 20 30 EIEDRO C=CCOc1cccc(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000056642493 1036769260 /nfs/dbraw/zinc/76/92/60/1036769260.db2.gz SFSLHODKGZYJCA-KRWDZBQOSA-N 1 0 345.487 4.028 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccncc1Cl ZINC000421827599 1036785160 /nfs/dbraw/zinc/78/51/60/1036785160.db2.gz YKMJXFHDEATCDC-CYBMUJFWSA-N 1 0 331.872 4.191 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3cccnc3)CC2)c(C(F)(F)F)c1 ZINC000589518500 1036820714 /nfs/dbraw/zinc/82/07/14/1036820714.db2.gz QZSBSQJVUJLPKX-UHFFFAOYSA-N 1 0 345.368 4.352 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCCO2)c2ccc(F)cc2)s1 ZINC000421874378 1036828278 /nfs/dbraw/zinc/82/82/78/1036828278.db2.gz IGONOSIKKORQOF-YJBOKZPZSA-N 1 0 330.428 4.159 20 30 EIEDRO C[N@@H+]1CC[C@H](NCc2ccc(-c3ccccc3C#N)cc2)CC1(C)C ZINC000598973449 1036837515 /nfs/dbraw/zinc/83/75/15/1036837515.db2.gz ITFRWSNOJIBYFG-FQEVSTJZSA-N 1 0 333.479 4.188 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000598973287 1036837649 /nfs/dbraw/zinc/83/76/49/1036837649.db2.gz CZBVDTMZCGYEOH-UHFFFAOYSA-N 1 0 332.341 4.186 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccc(CC#N)cc2)s1 ZINC000598982970 1036840878 /nfs/dbraw/zinc/84/08/78/1036840878.db2.gz VSKOYBQOTJFGKY-UHFFFAOYSA-N 1 0 342.464 4.059 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000027449504 1036855793 /nfs/dbraw/zinc/85/57/93/1036855793.db2.gz PWBYUCWTQGZWCL-KDOFPFPSSA-N 1 0 339.439 4.082 20 30 EIEDRO CCCCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000486798427 1036858318 /nfs/dbraw/zinc/85/83/18/1036858318.db2.gz NOKOYVKZLXZZRT-INIZCTEOSA-N 1 0 345.512 4.285 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CSc3ccc(Br)cc32)cc1 ZINC000486809097 1036859372 /nfs/dbraw/zinc/85/93/72/1036859372.db2.gz DKLCXHFNGKELDE-HNNXBMFYSA-N 1 0 345.265 4.257 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2OCCc3ccccc32)cc1Cl ZINC000603516703 1036872304 /nfs/dbraw/zinc/87/23/04/1036872304.db2.gz YIEHPZAFGFTEAR-FQEVSTJZSA-N 1 0 343.854 4.308 20 30 EIEDRO COc1ccc([C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000599095990 1036876707 /nfs/dbraw/zinc/87/67/07/1036876707.db2.gz JZQKMPBWFGDHKO-TZIWHRDSSA-N 1 0 333.435 4.080 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000503028780 1036878606 /nfs/dbraw/zinc/87/86/06/1036878606.db2.gz YGCSKGGRRHHEFH-PKOBYXMFSA-N 1 0 329.365 4.450 20 30 EIEDRO CC[NH+](CC)Cc1ccc(CNc2nc3c(cc2C#N)CCCC3)cc1 ZINC000589803171 1036878741 /nfs/dbraw/zinc/87/87/41/1036878741.db2.gz BWTWDTXIGLANBY-UHFFFAOYSA-N 1 0 348.494 4.286 20 30 EIEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000593688330 1036886704 /nfs/dbraw/zinc/88/67/04/1036886704.db2.gz OOULUXPNCBJCFB-KKSFZXQISA-N 1 0 349.478 4.029 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000924819086 1036889214 /nfs/dbraw/zinc/88/92/14/1036889214.db2.gz AXMVUCGFIGYCAM-HNNXBMFYSA-N 1 0 334.891 4.306 20 30 EIEDRO CC[C@@H](C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593692336 1036896260 /nfs/dbraw/zinc/89/62/60/1036896260.db2.gz BWZIVJOGHNHQMA-NRFANRHFSA-N 1 0 347.506 4.306 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC(c3ccon3)CC2)ccc1OC ZINC000668714247 1036898624 /nfs/dbraw/zinc/89/86/24/1036898624.db2.gz PHZXTWSIDVGDQU-UHFFFAOYSA-N 1 0 342.439 4.018 20 30 EIEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000589949280 1036898871 /nfs/dbraw/zinc/89/88/71/1036898871.db2.gz QUTIQCCNQKJKDY-OZVIIMIRSA-N 1 0 333.273 4.354 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H](C4CC4)C3)CC2)c1 ZINC000593702267 1036910719 /nfs/dbraw/zinc/91/07/19/1036910719.db2.gz KVNRFKGAHIRTGQ-RBBKRZOGSA-N 1 0 337.511 4.081 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CCC(C)C)C2CC2)c1 ZINC000061187175 1036912937 /nfs/dbraw/zinc/91/29/37/1036912937.db2.gz CPGIFXYEZBTIBN-UHFFFAOYSA-N 1 0 341.499 4.061 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000599313142 1036950524 /nfs/dbraw/zinc/95/05/24/1036950524.db2.gz FWNXEJSYLVJVBO-QGZVFWFLSA-N 1 0 331.419 4.388 20 30 EIEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599350369 1036968972 /nfs/dbraw/zinc/96/89/72/1036968972.db2.gz WDLYPKPQOCCDEZ-JKSUJKDBSA-N 1 0 340.389 4.047 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487089002 1036979209 /nfs/dbraw/zinc/97/92/09/1036979209.db2.gz RMYWGWIHHFSYEO-IBGZPJMESA-N 1 0 343.515 4.342 20 30 EIEDRO COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1 ZINC000590190447 1037008256 /nfs/dbraw/zinc/00/82/56/1037008256.db2.gz DYUFKWKSNOYYTN-PBHICJAKSA-N 1 0 348.874 4.203 20 30 EIEDRO CCC(C#N)(CC)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000599489844 1037025908 /nfs/dbraw/zinc/02/59/08/1037025908.db2.gz FVUXDPXZYDNJEB-KRWDZBQOSA-N 1 0 341.499 4.096 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2ccc(Br)cc2Cl)C1 ZINC000590263994 1037038345 /nfs/dbraw/zinc/03/83/45/1037038345.db2.gz IMKWNOAMPLCBTJ-FZMZJTMJSA-N 1 0 341.680 4.317 20 30 EIEDRO C[C@H](CCC#N)[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000599515482 1037048249 /nfs/dbraw/zinc/04/82/49/1037048249.db2.gz UBPSVEHACOYFMK-OAHLLOKOSA-N 1 0 330.476 4.064 20 30 EIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)c1 ZINC000603868467 1037064074 /nfs/dbraw/zinc/06/40/74/1037064074.db2.gz OQZFFJXKTFOROE-IBGZPJMESA-N 1 0 345.446 4.027 20 30 EIEDRO CC(C)(C[NH2+]Cc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000603890951 1037079463 /nfs/dbraw/zinc/07/94/63/1037079463.db2.gz UDOFOGBSISYZDO-UHFFFAOYSA-N 1 0 343.268 4.388 20 30 EIEDRO CSc1ccccc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599634132 1037102903 /nfs/dbraw/zinc/10/29/03/1037102903.db2.gz RPBQJPLIIJZDJV-UHFFFAOYSA-N 1 0 338.476 4.076 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1cc(C)ccc1C ZINC000599640594 1037107125 /nfs/dbraw/zinc/10/71/25/1037107125.db2.gz KHUQYXLRJFQDJU-VQIMIIECSA-N 1 0 335.451 4.243 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000057555219 1037108194 /nfs/dbraw/zinc/10/81/94/1037108194.db2.gz DPBHBHRQVSWZAG-HOTGVXAUSA-N 1 0 343.430 4.389 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599676250 1037118755 /nfs/dbraw/zinc/11/87/55/1037118755.db2.gz COJXPJBFGHRTQA-SFHVURJKSA-N 1 0 349.261 4.387 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(OC3CCCCC3)nc2)CC1 ZINC000590643849 1037129978 /nfs/dbraw/zinc/12/99/78/1037129978.db2.gz TUESBPKSEACPHE-UHFFFAOYSA-N 1 0 327.472 4.355 20 30 EIEDRO N#Cc1ccc(CC[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC000599685166 1037130001 /nfs/dbraw/zinc/13/00/01/1037130001.db2.gz XLRNKMQJCGWKMV-GOSISDBHSA-N 1 0 349.261 4.121 20 30 EIEDRO Cc1ccc2ncc(C[N@@H+]3CCc4c(CC#N)cccc4C3)cc2c1 ZINC000599679068 1037131495 /nfs/dbraw/zinc/13/14/95/1037131495.db2.gz VIOSIALLRPTANF-UHFFFAOYSA-N 1 0 327.431 4.168 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC000599681449 1037131898 /nfs/dbraw/zinc/13/18/98/1037131898.db2.gz NTGUCMMDMCCSBR-SFHVURJKSA-N 1 0 349.261 4.273 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1 ZINC000604563762 1037424481 /nfs/dbraw/zinc/42/44/81/1037424481.db2.gz YMNRLAQXFVNZPZ-UHFFFAOYSA-N 1 0 335.451 4.067 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000157356404 1037478988 /nfs/dbraw/zinc/47/89/88/1037478988.db2.gz LTRHPSKGXZOPSP-IFMALSPDSA-N 1 0 335.447 4.099 20 30 EIEDRO C=CC[C@H](C)NC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000604920560 1037581296 /nfs/dbraw/zinc/58/12/96/1037581296.db2.gz ZGLUXHSMSOBTRI-IRXDYDNUSA-N 1 0 331.504 4.160 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)cc1 ZINC000503259771 1037655833 /nfs/dbraw/zinc/65/58/33/1037655833.db2.gz MTQVGQSDZBJYJG-UHFFFAOYSA-N 1 0 326.440 4.114 20 30 EIEDRO CC(C)CCOc1ccc(C[NH2+]Cc2ccc(OCC#N)cc2)cc1 ZINC000171769688 1037660956 /nfs/dbraw/zinc/66/09/56/1037660956.db2.gz XMRQKOPDUICOBY-UHFFFAOYSA-N 1 0 338.451 4.304 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000573887031 1037715652 /nfs/dbraw/zinc/71/56/52/1037715652.db2.gz UDSYBJMGRGBJHD-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)c2sc3cc(C)ccc3c2Cl)CC1 ZINC000592068444 1037733027 /nfs/dbraw/zinc/73/30/27/1037733027.db2.gz JLGIILCHPMZMSN-UHFFFAOYSA-N 1 0 348.899 4.243 20 30 EIEDRO Cc1ccc2nc(CSc3nc(C(F)(F)F)ccc3C#N)cn2c1 ZINC000488738460 1037735173 /nfs/dbraw/zinc/73/51/73/1037735173.db2.gz TWLICZJQPDYSRA-UHFFFAOYSA-N 1 0 348.353 4.221 20 30 EIEDRO CC(C)[N@H+](CCCC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592154027 1037738401 /nfs/dbraw/zinc/73/84/01/1037738401.db2.gz IIVLOKCLRCJOER-HXUWFJFHSA-N 1 0 327.516 4.301 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCC(C)(C)C ZINC000592145501 1037740358 /nfs/dbraw/zinc/74/03/58/1037740358.db2.gz WOJGKFVHNYOKOQ-HNNXBMFYSA-N 1 0 347.528 4.387 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503415635 1037750915 /nfs/dbraw/zinc/75/09/15/1037750915.db2.gz LQWNPBQADAKHFG-QGZVFWFLSA-N 1 0 331.463 4.146 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1c(C)cccc1C)C(C)C ZINC000503438895 1037758660 /nfs/dbraw/zinc/75/86/60/1037758660.db2.gz QABWRSTUHHWOHE-SFHVURJKSA-N 1 0 329.488 4.124 20 30 EIEDRO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000183925583 1037763236 /nfs/dbraw/zinc/76/32/36/1037763236.db2.gz PNSDIRKKDDCBBW-UHFFFAOYSA-N 1 0 341.405 4.208 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(SC)cc1)C(C)C ZINC000503441174 1037763303 /nfs/dbraw/zinc/76/33/03/1037763303.db2.gz NSKRDRRRRLAAHV-SFHVURJKSA-N 1 0 347.528 4.229 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592176667 1037771049 /nfs/dbraw/zinc/77/10/49/1037771049.db2.gz BJVWWACWQCBUSR-NRFANRHFSA-N 1 0 332.447 4.026 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=S)Nc1c(C)cccc1C)C(C)C ZINC000911614368 1037784020 /nfs/dbraw/zinc/78/40/20/1037784020.db2.gz PEJVFNDBTNVHEQ-SFHVURJKSA-N 1 0 345.556 4.288 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1 ZINC000592391396 1037794609 /nfs/dbraw/zinc/79/46/09/1037794609.db2.gz CALTZKFLQIBLKS-GOSISDBHSA-N 1 0 326.827 4.410 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CCCCC)cc2)CC1 ZINC000592526089 1037825228 /nfs/dbraw/zinc/82/52/28/1037825228.db2.gz CWQDFLWRWMZNTK-UHFFFAOYSA-N 1 0 329.488 4.191 20 30 EIEDRO C=CCN(CC=C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000503688477 1037868507 /nfs/dbraw/zinc/86/85/07/1037868507.db2.gz HPKIYBXVFSRBKD-GOSISDBHSA-N 1 0 341.499 4.034 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CCc2ccc(OC)cc2)cc1 ZINC000062423984 1037891791 /nfs/dbraw/zinc/89/17/91/1037891791.db2.gz UIUSWVNBWCTDIG-KRWDZBQOSA-N 1 0 325.452 4.371 20 30 EIEDRO CC[C@H](OCC[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000593028421 1037902723 /nfs/dbraw/zinc/90/27/23/1037902723.db2.gz FWIJNSKNFNEHCR-FQEVSTJZSA-N 1 0 349.478 4.107 20 30 EIEDRO C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](CCCCC(C)(C)C#N)CC2)n1 ZINC000593075164 1037978604 /nfs/dbraw/zinc/97/86/04/1037978604.db2.gz ANJGSMBWUZWCNN-RDJZCZTQSA-N 1 0 344.503 4.168 20 30 EIEDRO C=C[C@H]1CCCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000489421276 1038036281 /nfs/dbraw/zinc/03/62/81/1038036281.db2.gz CVFSSMMRGCBSEM-LBPRGKRZSA-N 1 0 327.255 4.363 20 30 EIEDRO C=C[C@H]1CCCCN1Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000489461690 1038059688 /nfs/dbraw/zinc/05/96/88/1038059688.db2.gz WVEDUGUBHRRSIA-HNNXBMFYSA-N 1 0 344.480 4.368 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489466727 1038064357 /nfs/dbraw/zinc/06/43/57/1038064357.db2.gz RWVXIGYPFPJFJG-OAQYLSRUSA-N 1 0 340.511 4.019 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593703263 1038132329 /nfs/dbraw/zinc/13/23/29/1038132329.db2.gz SDSHEMJNIHIEKA-HXUWFJFHSA-N 1 0 325.500 4.247 20 30 EIEDRO C=CCn1c(SCC[NH+]2CCCCC2)nnc1-c1ccc(C)cc1 ZINC000489629075 1038177602 /nfs/dbraw/zinc/17/76/02/1038177602.db2.gz WQJLTUPVYPCOCM-UHFFFAOYSA-N 1 0 342.512 4.018 20 30 EIEDRO N#Cc1cccc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)c1 ZINC000063319501 1038217961 /nfs/dbraw/zinc/21/79/61/1038217961.db2.gz JLNITWBGFLQPAK-UHFFFAOYSA-N 1 0 335.234 4.424 20 30 EIEDRO C=C(C)COc1cc(CNCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1OC ZINC000594053258 1038240737 /nfs/dbraw/zinc/24/07/37/1038240737.db2.gz RFKILGWLAXYJLC-ROUUACIJSA-N 1 0 346.515 4.003 20 30 EIEDRO C[N@H+](Cc1ccccc1CNC(=O)CCCCC#N)C1CCCCC1 ZINC000594245018 1038273208 /nfs/dbraw/zinc/27/32/08/1038273208.db2.gz XQOGBCVGLBYDNF-UHFFFAOYSA-N 1 0 341.499 4.151 20 30 EIEDRO CC[NH+](CC)[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000912777446 1038291612 /nfs/dbraw/zinc/29/16/12/1038291612.db2.gz DKKGWRWJAICFSK-XUVWKZFSSA-N 1 0 347.462 4.442 20 30 EIEDRO Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594432605 1038334279 /nfs/dbraw/zinc/33/42/79/1038334279.db2.gz DVZKBQDFLAPLDK-KRWDZBQOSA-N 1 0 337.423 4.137 20 30 EIEDRO CC(C)Cc1ccc([C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594424892 1038339958 /nfs/dbraw/zinc/33/99/58/1038339958.db2.gz DKZWMDBAWKZUIM-WOJBJXKFSA-N 1 0 343.515 4.110 20 30 EIEDRO Cc1ccc(Oc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)cc1 ZINC000594425145 1038341353 /nfs/dbraw/zinc/34/13/53/1038341353.db2.gz GAUUGPWSNIEJEI-LJQANCHMSA-N 1 0 337.423 4.137 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC2(c3ccccc3)CCOCC2)cc1 ZINC000594494247 1038344351 /nfs/dbraw/zinc/34/43/51/1038344351.db2.gz DKOSHBFSFWVRFU-UHFFFAOYSA-N 1 0 348.490 4.326 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1 ZINC000594494455 1038346948 /nfs/dbraw/zinc/34/69/48/1038346948.db2.gz GJJBGAIPEQYXLZ-UHFFFAOYSA-N 1 0 348.494 4.163 20 30 EIEDRO COc1ccccc1OCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594502720 1038348077 /nfs/dbraw/zinc/34/80/77/1038348077.db2.gz NZRFYWFGMUJBOS-UHFFFAOYSA-N 1 0 338.451 4.055 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594501201 1038349531 /nfs/dbraw/zinc/34/95/31/1038349531.db2.gz SSMQIEPEAXFEIL-YWZLYKJASA-N 1 0 340.442 4.493 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1(C)CCCC1 ZINC000490118238 1038350126 /nfs/dbraw/zinc/35/01/26/1038350126.db2.gz HJCYKDTUBNOZGN-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO CC[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(F)cn1 ZINC000490131023 1038353285 /nfs/dbraw/zinc/35/32/85/1038353285.db2.gz RURUAIUTSCTJIB-KRWDZBQOSA-N 1 0 329.444 4.066 20 30 EIEDRO N#Cc1csc(C[NH2+]CCCc2c(Cl)cccc2Cl)n1 ZINC000594513712 1038358078 /nfs/dbraw/zinc/35/80/78/1038358078.db2.gz FKPMQUWKGCJQFH-UHFFFAOYSA-N 1 0 326.252 4.044 20 30 EIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc([S@@](C)=O)cc1 ZINC000594519574 1038359660 /nfs/dbraw/zinc/35/96/60/1038359660.db2.gz WDMCLBBQDQDODM-OYLFLEFRSA-N 1 0 338.476 4.026 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C/C=C/c3ccccc3[N+](=O)[O-])CCC2)cc1 ZINC000594519890 1038361158 /nfs/dbraw/zinc/36/11/58/1038361158.db2.gz MNQYOPCAVBIAEU-ZZXKWVIFSA-N 1 0 333.391 4.149 20 30 EIEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000594518938 1038361461 /nfs/dbraw/zinc/36/14/61/1038361461.db2.gz ROCRZFBISHHOMB-HDJSIYSDSA-N 1 0 326.362 4.013 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000594532553 1038364749 /nfs/dbraw/zinc/36/47/49/1038364749.db2.gz CUUWGOOZABRUPZ-OAHLLOKOSA-N 1 0 346.434 4.016 20 30 EIEDRO COc1ccc(CC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000504464435 1038372382 /nfs/dbraw/zinc/37/23/82/1038372382.db2.gz JBODSUGOCLMGCD-UHFFFAOYSA-N 1 0 338.426 4.161 20 30 EIEDRO COc1cccc(C([NH2+]CC2(CC#N)CC2)c2cccc(OC)c2)c1 ZINC000594702313 1038400592 /nfs/dbraw/zinc/40/05/92/1038400592.db2.gz FFQFHPHIMATMLH-UHFFFAOYSA-N 1 0 336.435 4.077 20 30 EIEDRO CO[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1Cl ZINC000594930766 1038418823 /nfs/dbraw/zinc/41/88/23/1038418823.db2.gz IPEOHILWULOWIT-IBGZPJMESA-N 1 0 340.854 4.372 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C3CCN(c4cccs4)CC3)cc2)CC1 ZINC000594932426 1038423966 /nfs/dbraw/zinc/42/39/66/1038423966.db2.gz PMMBRZSXFWDAMW-UHFFFAOYSA-N 1 0 337.492 4.062 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H](c3ccccc3)[C@H]3CCCO3)cc2)CC1 ZINC000594916975 1038426194 /nfs/dbraw/zinc/42/61/94/1038426194.db2.gz DWNFJUSWBIACKX-NHCUHLMSSA-N 1 0 332.447 4.252 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3ccc(OC(F)F)cc3)cc2)CC1 ZINC000594917850 1038427174 /nfs/dbraw/zinc/42/71/74/1038427174.db2.gz KUIFAWDCXGPOSE-UHFFFAOYSA-N 1 0 342.389 4.175 20 30 EIEDRO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594926715 1038429139 /nfs/dbraw/zinc/42/91/39/1038429139.db2.gz TVIKGYCJIUGKJP-MJGOQNOKSA-N 1 0 326.484 4.173 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000594928272 1038429287 /nfs/dbraw/zinc/42/92/87/1038429287.db2.gz VLCWIGORGUYXMH-IBGZPJMESA-N 1 0 348.446 4.254 20 30 EIEDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594926714 1038431196 /nfs/dbraw/zinc/43/11/96/1038431196.db2.gz TVIKGYCJIUGKJP-IEBWSBKVSA-N 1 0 326.484 4.173 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(-n2cccn2)cc1 ZINC000594930027 1038434005 /nfs/dbraw/zinc/43/40/05/1038434005.db2.gz ROBZOMWQOXRBBP-QGZVFWFLSA-N 1 0 342.446 4.278 20 30 EIEDRO CC(C)([NH2+]Cc1sccc1Br)c1cccc(C#N)c1 ZINC000594969291 1038485110 /nfs/dbraw/zinc/48/51/10/1038485110.db2.gz OAZVKZWUACABGT-UHFFFAOYSA-N 1 0 335.270 4.407 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594935441 1038490416 /nfs/dbraw/zinc/49/04/16/1038490416.db2.gz PGLSIVMGNHOKJS-YWZLYKJASA-N 1 0 338.426 4.247 20 30 EIEDRO C[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000059375190 1038496937 /nfs/dbraw/zinc/49/69/37/1038496937.db2.gz UJIXQHSWKXWXDA-UHFFFAOYSA-N 1 0 334.341 4.088 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCO[C@@H](c4cccs4)C3)cc2)CC1 ZINC000594943560 1038499173 /nfs/dbraw/zinc/49/91/73/1038499173.db2.gz CSHBQNMMRYSUHA-QZTJIDSGSA-N 1 0 338.476 4.313 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCCOc4c(F)cccc43)cc2)CC1 ZINC000594945240 1038513001 /nfs/dbraw/zinc/51/30/01/1038513001.db2.gz WRWDXSRDAMWRIK-IBGZPJMESA-N 1 0 336.410 4.384 20 30 EIEDRO CCCOc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)ccc1OC ZINC000594964565 1038547869 /nfs/dbraw/zinc/54/78/69/1038547869.db2.gz DIOGBWOENUBPQA-UHFFFAOYSA-N 1 0 338.451 4.381 20 30 EIEDRO CC(C)([NH2+]Cc1cccc(OCCCC#N)c1)c1cccc(C#N)c1 ZINC000594966805 1038564852 /nfs/dbraw/zinc/56/48/52/1038564852.db2.gz AQODDVQHPMYEHB-UHFFFAOYSA-N 1 0 333.435 4.266 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000424290065 1038770023 /nfs/dbraw/zinc/77/00/23/1038770023.db2.gz AYIYICPXHKKYDK-MDKPJZGXSA-N 1 0 339.483 4.039 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000424296496 1038771214 /nfs/dbraw/zinc/77/12/14/1038771214.db2.gz OSUKLFRLSQACRK-QRTARXTBSA-N 1 0 327.390 4.207 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000424300902 1038776574 /nfs/dbraw/zinc/77/65/74/1038776574.db2.gz YRXZRVDRAGLXTC-RKLWJJNISA-N 1 0 336.273 4.178 20 30 EIEDRO C[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000424321451 1038803641 /nfs/dbraw/zinc/80/36/41/1038803641.db2.gz IQJRHTIJSRNMIL-CYBMUJFWSA-N 1 0 334.435 4.106 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c(C(F)(F)F)c1 ZINC000554971509 1038811261 /nfs/dbraw/zinc/81/12/61/1038811261.db2.gz OUJIPSHWFWBCRA-HNNXBMFYSA-N 1 0 338.373 4.158 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000539089107 1038832091 /nfs/dbraw/zinc/83/20/91/1038832091.db2.gz KRURMYYRBMGNHP-CQSZACIVSA-N 1 0 333.353 4.416 20 30 EIEDRO Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000424428580 1038857896 /nfs/dbraw/zinc/85/78/96/1038857896.db2.gz UDSLAKWXYFZJLH-IBGZPJMESA-N 1 0 336.439 4.010 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000505000917 1038876577 /nfs/dbraw/zinc/87/65/77/1038876577.db2.gz LYKHPFWPRGEQHK-KRWDZBQOSA-N 1 0 329.488 4.191 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000505001034 1038877168 /nfs/dbraw/zinc/87/71/68/1038877168.db2.gz NNEAFPJBDVICNX-SFHVURJKSA-N 1 0 343.515 4.295 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccccc1OC(F)F ZINC000174264704 1038886298 /nfs/dbraw/zinc/88/62/98/1038886298.db2.gz BXLGARRWCXSSDL-MRXNPFEDSA-N 1 0 346.377 4.409 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000424548541 1038894647 /nfs/dbraw/zinc/89/46/47/1038894647.db2.gz WKGYGUBVTULKJD-UHFFFAOYSA-N 1 0 334.891 4.023 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CCCSCC#N)ccc1OC1CCCC1 ZINC000539254806 1038896207 /nfs/dbraw/zinc/89/62/07/1038896207.db2.gz YCXBPLXUFPRDDC-OAHLLOKOSA-N 1 0 348.512 4.314 20 30 EIEDRO CCC(CC)[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000539251564 1038896499 /nfs/dbraw/zinc/89/64/99/1038896499.db2.gz WELBMHCKOFKLJT-FQEVSTJZSA-N 1 0 341.499 4.096 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000505057866 1038925211 /nfs/dbraw/zinc/92/52/11/1038925211.db2.gz MPULREKFDBEQKH-DLBZAZTESA-N 1 0 329.488 4.190 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1OC ZINC000539296486 1038945518 /nfs/dbraw/zinc/94/55/18/1038945518.db2.gz BMNXZCMOCPIICT-HNNXBMFYSA-N 1 0 343.854 4.368 20 30 EIEDRO CC[C@](C)([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nc(C)cs1 ZINC000174501432 1038976219 /nfs/dbraw/zinc/97/62/19/1038976219.db2.gz SQVHRXPCUYKAKU-KDOFPFPSSA-N 1 0 329.469 4.157 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccccc1C(F)(F)F ZINC000539362762 1039024623 /nfs/dbraw/zinc/02/46/23/1039024623.db2.gz UENVNNUFWRXXLM-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000481118637 1039033346 /nfs/dbraw/zinc/03/33/46/1039033346.db2.gz PYWUBBPIPJFWPF-GFCCVEGCSA-N 1 0 341.318 4.284 20 30 EIEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481185028 1039087018 /nfs/dbraw/zinc/08/70/18/1039087018.db2.gz CKMGQDIACRERSI-YJBOKZPZSA-N 1 0 347.890 4.145 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](COC)c2ccc(Cl)cc2)cc1 ZINC000552091552 1039115261 /nfs/dbraw/zinc/11/52/61/1039115261.db2.gz RJUQOXAKPKQWCM-LJQANCHMSA-N 1 0 331.843 4.382 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477844865 1039122402 /nfs/dbraw/zinc/12/24/02/1039122402.db2.gz BMBWFCXHNVNBPE-CYBMUJFWSA-N 1 0 330.453 4.041 20 30 EIEDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000481198793 1039128414 /nfs/dbraw/zinc/12/84/14/1039128414.db2.gz CLWICJVVTJQRMN-RBUKOAKNSA-N 1 0 341.499 4.109 20 30 EIEDRO N#Cc1cc(F)ccc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534243548 1039239357 /nfs/dbraw/zinc/23/93/57/1039239357.db2.gz CFSZWEOGCVBMEP-UHFFFAOYSA-N 1 0 349.453 4.190 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccco1 ZINC000552262105 1039321786 /nfs/dbraw/zinc/32/17/86/1039321786.db2.gz FZWXTRUJKAPSGT-WSTZPKSXSA-N 1 0 329.415 4.182 20 30 EIEDRO COc1ccc(C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)cc1C#N ZINC000481333824 1039324109 /nfs/dbraw/zinc/32/41/09/1039324109.db2.gz AAZVUMDFJVQCDN-FQEVSTJZSA-N 1 0 349.478 4.497 20 30 EIEDRO Cc1ccc([C@H](C)C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)cc1 ZINC000600175968 1039344787 /nfs/dbraw/zinc/34/47/87/1039344787.db2.gz KSPWGNBNRPBHOJ-LJQANCHMSA-N 1 0 347.506 4.224 20 30 EIEDRO Cc1ccc([C@H](C)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000600181232 1039360375 /nfs/dbraw/zinc/36/03/75/1039360375.db2.gz RCOFNOKUNVEFRR-GOSISDBHSA-N 1 0 334.463 4.266 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481399956 1039375930 /nfs/dbraw/zinc/37/59/30/1039375930.db2.gz BEKFZNVRCDUYQH-ORAYPTAESA-N 1 0 344.842 4.086 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3coc4ccccc34)CC2)cc1 ZINC000555590567 1039399327 /nfs/dbraw/zinc/39/93/27/1039399327.db2.gz KHZREFNDSCAEOJ-UHFFFAOYSA-N 1 0 331.419 4.063 20 30 EIEDRO N#CCCCOc1cccc(C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000092758715 1039584050 /nfs/dbraw/zinc/58/40/50/1039584050.db2.gz IXZQCYWFABAQPE-UHFFFAOYSA-N 1 0 342.483 4.293 20 30 EIEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000481593825 1039607052 /nfs/dbraw/zinc/60/70/52/1039607052.db2.gz FUMOCBHQXDAABJ-PXNSSMCTSA-N 1 0 331.406 4.165 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCOc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000481595529 1039611002 /nfs/dbraw/zinc/61/10/02/1039611002.db2.gz HKVMGJZFMPDUFA-LJQANCHMSA-N 1 0 333.378 4.259 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)C1 ZINC000534622617 1039616340 /nfs/dbraw/zinc/61/63/40/1039616340.db2.gz WNGKNLOLUGUQEC-KRWDZBQOSA-N 1 0 347.462 4.237 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+](CC)Cc2ccccn2)ccc1OC ZINC000093338975 1039665220 /nfs/dbraw/zinc/66/52/20/1039665220.db2.gz DHTALFODCOETNE-UHFFFAOYSA-N 1 0 326.440 4.067 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCCO[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000514192380 1039754476 /nfs/dbraw/zinc/75/44/76/1039754476.db2.gz HSMGICYSSNRDHH-MSOLQXFVSA-N 1 0 325.399 4.105 20 30 EIEDRO N#Cc1ccc(CNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)nc1 ZINC000899874899 1039756700 /nfs/dbraw/zinc/75/67/00/1039756700.db2.gz OWEPNXVLTITYRJ-UHFFFAOYSA-N 1 0 344.296 4.012 20 30 EIEDRO COc1cccc(NC2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000442670931 1039809365 /nfs/dbraw/zinc/80/93/65/1039809365.db2.gz FPZDUAWIXZOKIJ-MRXNPFEDSA-N 1 0 335.451 4.204 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534856509 1039815656 /nfs/dbraw/zinc/81/56/56/1039815656.db2.gz OIJVLMPXPPSVDD-UHFFFAOYSA-N 1 0 329.400 4.428 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCC(C)(C)C#N ZINC000481831821 1039851671 /nfs/dbraw/zinc/85/16/71/1039851671.db2.gz NHKPSEKWEQMHSE-ZACQAIPSSA-N 1 0 334.504 4.291 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)ccc1OC ZINC000535067342 1039929158 /nfs/dbraw/zinc/92/91/58/1039929158.db2.gz NSABMUJMIOGVOK-LJQANCHMSA-N 1 0 338.451 4.382 20 30 EIEDRO C=CC[C@H](C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000505584802 1039966650 /nfs/dbraw/zinc/96/66/50/1039966650.db2.gz BYJSAYKVIYVQBO-JRGCBEDISA-N 1 0 336.479 4.154 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000514589034 1040035406 /nfs/dbraw/zinc/03/54/06/1040035406.db2.gz DLIRUMQQDPIMAW-RCCFBDPRSA-N 1 0 341.499 4.048 20 30 EIEDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000478953884 1040039781 /nfs/dbraw/zinc/03/97/81/1040039781.db2.gz CZVHDZNAUJDRJV-AWEZNQCLSA-N 1 0 333.353 4.456 20 30 EIEDRO C=C[C@@H](CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000535340151 1040206002 /nfs/dbraw/zinc/20/60/02/1040206002.db2.gz JYDCQJSFRSOVJB-RXVVDRJESA-N 1 0 336.479 4.074 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000514801701 1040247732 /nfs/dbraw/zinc/24/77/32/1040247732.db2.gz YIVPHMANSIRVFF-ZIAGYGMSSA-N 1 0 338.282 4.198 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)cc1 ZINC000159891900 1040250527 /nfs/dbraw/zinc/25/05/27/1040250527.db2.gz PLXMXXDKRQSAIC-UHFFFAOYSA-N 1 0 333.366 4.174 20 30 EIEDRO CCc1ccc([C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)N(C)C)cc1 ZINC000514820791 1040256918 /nfs/dbraw/zinc/25/69/18/1040256918.db2.gz PIRHZPGAQSKBNT-FCHUYYIVSA-N 1 0 333.479 4.000 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CCCCc1cccc(C(F)(F)F)c1 ZINC000425358756 1040328832 /nfs/dbraw/zinc/32/88/32/1040328832.db2.gz UOMGMWKQNNPPDV-RDJZCZTQSA-N 1 0 327.390 4.209 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CC(CC(F)F)C3)c2)c1 ZINC000425368418 1040351990 /nfs/dbraw/zinc/35/19/90/1040351990.db2.gz WRXJEMINZRTFLD-UHFFFAOYSA-N 1 0 342.389 4.224 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000482619972 1040389526 /nfs/dbraw/zinc/38/95/26/1040389526.db2.gz NPCRRKXAEPHYHI-HXUWFJFHSA-N 1 0 328.500 4.147 20 30 EIEDRO CC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(Cl)s1 ZINC000551547444 1040399212 /nfs/dbraw/zinc/39/92/12/1040399212.db2.gz MLAGTOQBAWXQOJ-ZDUSSCGKSA-N 1 0 330.844 4.162 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1Cl ZINC000551547804 1040401116 /nfs/dbraw/zinc/40/11/16/1040401116.db2.gz WUDQGQBGNWHXPW-LJQANCHMSA-N 1 0 338.842 4.346 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508851401 1040449569 /nfs/dbraw/zinc/44/95/69/1040449569.db2.gz GZVXFDKGZOEZDJ-IEBWSBKVSA-N 1 0 331.504 4.066 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000539467193 1040460816 /nfs/dbraw/zinc/46/08/16/1040460816.db2.gz VOIPUUVBWNGNNU-GBESFXJTSA-N 1 0 335.536 4.027 20 30 EIEDRO CC#CCC[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000462334363 1040487459 /nfs/dbraw/zinc/48/74/59/1040487459.db2.gz JJSRQAXAMHBEDE-QGZVFWFLSA-N 1 0 329.488 4.175 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000551689551 1040503918 /nfs/dbraw/zinc/50/39/18/1040503918.db2.gz VEWDSPNPMFTWSD-CQSZACIVSA-N 1 0 340.920 4.037 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CC2(Cc3ccccc3)CC2)c1 ZINC000539525402 1040508447 /nfs/dbraw/zinc/50/84/47/1040508447.db2.gz AXZQAUJZOZYPPJ-UHFFFAOYSA-N 1 0 334.463 4.482 20 30 EIEDRO C[C@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(F)(F)F ZINC000479597933 1040515312 /nfs/dbraw/zinc/51/53/12/1040515312.db2.gz BIKRFHJMVQYOEG-CQSZACIVSA-N 1 0 348.368 4.425 20 30 EIEDRO Cc1nc2ccccc2n1C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000482880844 1040548446 /nfs/dbraw/zinc/54/84/46/1040548446.db2.gz BRXSWHFIKRVDES-UHFFFAOYSA-N 1 0 347.437 4.172 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC000435727385 1040559753 /nfs/dbraw/zinc/55/97/53/1040559753.db2.gz WYHVGJAOKJKTJL-IRLDBZIGSA-N 1 0 337.463 4.433 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC000435727384 1040561480 /nfs/dbraw/zinc/56/14/80/1040561480.db2.gz WYHVGJAOKJKTJL-IFMALSPDSA-N 1 0 337.463 4.433 20 30 EIEDRO Cc1ccccc1C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000160517754 1040577978 /nfs/dbraw/zinc/57/79/78/1040577978.db2.gz ORDZMQGFDAOTPE-UHFFFAOYSA-N 1 0 344.462 4.404 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000435746160 1040599633 /nfs/dbraw/zinc/59/96/33/1040599633.db2.gz UIDYFXZENQYOHI-SJLPKXTDSA-N 1 0 328.481 4.189 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000539606431 1040601553 /nfs/dbraw/zinc/60/15/53/1040601553.db2.gz GUSVLMQSLLWXQE-CABCVRRESA-N 1 0 326.415 4.235 20 30 EIEDRO CC(C)Oc1ccc(CC[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000539607464 1040604389 /nfs/dbraw/zinc/60/43/89/1040604389.db2.gz OOFOOEBDRRROGI-OAHLLOKOSA-N 1 0 326.415 4.378 20 30 EIEDRO CC(C)OCc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539608541 1040605466 /nfs/dbraw/zinc/60/54/66/1040605466.db2.gz QVBWHTVYGQOQOS-HNNXBMFYSA-N 1 0 326.415 4.473 20 30 EIEDRO Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000462489065 1040659218 /nfs/dbraw/zinc/65/92/18/1040659218.db2.gz XPNOPBOBZOSHQT-FQEVSTJZSA-N 1 0 343.430 4.301 20 30 EIEDRO CC[N@H+](Cc1ccc(N(C)C(C)C)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000483165316 1040751485 /nfs/dbraw/zinc/75/14/85/1040751485.db2.gz BXASVJCAYYTLIU-KRWDZBQOSA-N 1 0 336.483 4.381 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)[C@H](C)c1ccccc1C(F)(F)F ZINC000554068116 1040756673 /nfs/dbraw/zinc/75/66/73/1040756673.db2.gz XQYMLQKPKGWCTP-QWHCGFSZSA-N 1 0 333.357 4.254 20 30 EIEDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1Cl ZINC000554085508 1040790260 /nfs/dbraw/zinc/79/02/60/1040790260.db2.gz KSROHSMLHVMJRP-GXTWGEPZSA-N 1 0 349.261 4.292 20 30 EIEDRO Cn1cc(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)cc1C#N ZINC000483258313 1040795336 /nfs/dbraw/zinc/79/53/36/1040795336.db2.gz AYKKXKSRPQOWOL-QFIPXVFZSA-N 1 0 327.431 4.044 20 30 EIEDRO Cc1ccc([C@@H](CNc2c(Cl)cccc2C#N)[NH+]2CCCC2)o1 ZINC000462817154 1040991445 /nfs/dbraw/zinc/99/14/45/1040991445.db2.gz OASNIMKNNVIMKY-MRXNPFEDSA-N 1 0 329.831 4.362 20 30 EIEDRO C[C@H](c1ccccc1)[N@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000505781310 1041012249 /nfs/dbraw/zinc/01/22/49/1041012249.db2.gz FJURXGGFADOLAD-MRXNPFEDSA-N 1 0 333.435 4.112 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000436280982 1041025928 /nfs/dbraw/zinc/02/59/28/1041025928.db2.gz CSYAYSPACDIGHC-LXZKKBNFSA-N 1 0 325.399 4.310 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000436286109 1041035966 /nfs/dbraw/zinc/03/59/66/1041035966.db2.gz AQQOWKNOTHVFKH-KEYYUXOJSA-N 1 0 325.399 4.228 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554363061 1041041656 /nfs/dbraw/zinc/04/16/56/1041041656.db2.gz GDGQAQMFENVRFF-DOTOQJQBSA-N 1 0 329.444 4.226 20 30 EIEDRO CC1CC[NH+](C[C@@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)CC1 ZINC000538089453 1041043396 /nfs/dbraw/zinc/04/33/96/1041043396.db2.gz RABYOUPLHRVRLG-SFHVURJKSA-N 1 0 348.494 4.055 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000538121512 1041054870 /nfs/dbraw/zinc/05/48/70/1041054870.db2.gz XFVVUQSZRWNNRI-CQSZACIVSA-N 1 0 346.377 4.279 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCC(c2ccc(OC)cc2)CC1 ZINC000436295806 1041063774 /nfs/dbraw/zinc/06/37/74/1041063774.db2.gz HQBZEAFFWUYAEV-SFSSAEOISA-N 1 0 329.484 4.292 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000436307475 1041078731 /nfs/dbraw/zinc/07/87/31/1041078731.db2.gz KILWMXCYGCNMGB-HSMVNMDESA-N 1 0 342.252 4.220 20 30 EIEDRO C[C@@H]1SCCN(Cc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1 ZINC000483982946 1041082823 /nfs/dbraw/zinc/08/28/23/1041082823.db2.gz VYGCTSNCKSDAIU-LIRRHRJNSA-N 1 0 326.440 4.376 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000462913411 1041095082 /nfs/dbraw/zinc/09/50/82/1041095082.db2.gz ZIDJYLCWDCOWFR-GOSISDBHSA-N 1 0 340.442 4.007 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c2ccccc21 ZINC000436310437 1041099354 /nfs/dbraw/zinc/09/93/54/1041099354.db2.gz UTHDRAZXVWCEEV-XFQAVAEZSA-N 1 0 325.452 4.480 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC#Cc4ccccc4)C3)nc2c1 ZINC000484083271 1041110303 /nfs/dbraw/zinc/11/03/03/1041110303.db2.gz UDGUQDNNHNUGIH-LJQANCHMSA-N 1 0 329.447 4.102 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000554452539 1041127407 /nfs/dbraw/zinc/12/74/07/1041127407.db2.gz POGVCVIZZMNSNR-TWVWUCKLSA-N 1 0 341.458 4.317 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000538226355 1041183298 /nfs/dbraw/zinc/18/32/98/1041183298.db2.gz NVOVVQYDLYWNCU-MJGOQNOKSA-N 1 0 325.452 4.243 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000425543062 1041223665 /nfs/dbraw/zinc/22/36/65/1041223665.db2.gz ZAAHYYFTUGBXRI-CQSZACIVSA-N 1 0 341.842 4.233 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000425539283 1041225905 /nfs/dbraw/zinc/22/59/05/1041225905.db2.gz TYBYTAWYIHBVPY-INIZCTEOSA-N 1 0 346.434 4.234 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000538288925 1041226172 /nfs/dbraw/zinc/22/61/72/1041226172.db2.gz ULEIEGLTNAGLCK-MSOLQXFVSA-N 1 0 343.515 4.256 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000161509407 1041241025 /nfs/dbraw/zinc/24/10/25/1041241025.db2.gz JQRQUEHSSKHEPV-MRXNPFEDSA-N 1 0 339.435 4.264 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc(OC)c1O ZINC000480471906 1041327428 /nfs/dbraw/zinc/32/74/28/1041327428.db2.gz QDEPTSOKFCTSLU-SFHVURJKSA-N 1 0 345.483 4.101 20 30 EIEDRO COc1cc(CCC2CC[NH+](CCC(C)(C)C#N)CC2)cc(OC)c1 ZINC000538465418 1041368281 /nfs/dbraw/zinc/36/82/81/1041368281.db2.gz XFYIKBJNSQJSGH-UHFFFAOYSA-N 1 0 344.499 4.288 20 30 EIEDRO N#Cc1ccc(OCC[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000554738541 1041369879 /nfs/dbraw/zinc/36/98/79/1041369879.db2.gz OPTNAUXHEMNTSO-HXUWFJFHSA-N 1 0 331.419 4.086 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2F)cc1 ZINC000538487442 1041383683 /nfs/dbraw/zinc/38/36/83/1041383683.db2.gz HLKFZYRSBIIXKT-QRWLVFNGSA-N 1 0 329.415 4.256 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538508225 1041396397 /nfs/dbraw/zinc/39/63/97/1041396397.db2.gz CVLSVQFQGWJZGL-FTRWYGJKSA-N 1 0 337.442 4.183 20 30 EIEDRO C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000538591206 1041440696 /nfs/dbraw/zinc/44/06/96/1041440696.db2.gz JHKYKBXCVYCYOL-KZNAEPCWSA-N 1 0 349.478 4.341 20 30 EIEDRO CC1CCC(Oc2cc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)ccn2)CC1 ZINC000463235580 1041441640 /nfs/dbraw/zinc/44/16/40/1041441640.db2.gz GYXXXUFXPRGDFY-DPCKTDSQSA-N 1 0 327.472 4.211 20 30 EIEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000540477635 1041481867 /nfs/dbraw/zinc/48/18/67/1041481867.db2.gz TYTNLGMVCCFAKP-SFHVURJKSA-N 1 0 349.478 4.278 20 30 EIEDRO CC1CCN([C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccccc2)CC1 ZINC000463299943 1041483859 /nfs/dbraw/zinc/48/38/59/1041483859.db2.gz IANCUBBZRXDJQS-CEWLAPEOSA-N 1 0 325.500 4.132 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC000463302026 1041484939 /nfs/dbraw/zinc/48/49/39/1041484939.db2.gz NVIZHISDXSRAOD-OLMNPRSZSA-N 1 0 349.881 4.115 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000554937607 1041511575 /nfs/dbraw/zinc/51/15/75/1041511575.db2.gz LOVDXXGYKMWOTE-BCDXTJNWSA-N 1 0 347.499 4.333 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(Br)c1 ZINC000480753531 1041511633 /nfs/dbraw/zinc/51/16/33/1041511633.db2.gz ZMEYHSRRKAFOCU-MRXNPFEDSA-N 1 0 341.252 4.310 20 30 EIEDRO C[C@@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708058 1041608131 /nfs/dbraw/zinc/60/81/31/1041608131.db2.gz QBAZBBGIKPPHAA-MRXNPFEDSA-N 1 0 325.431 4.265 20 30 EIEDRO C=C(C)COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1OC ZINC000507190088 1041628097 /nfs/dbraw/zinc/62/80/97/1041628097.db2.gz KVZUSMLOLOKVJS-UHFFFAOYSA-N 1 0 336.435 4.154 20 30 EIEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@@H]1C ZINC000437101913 1041660167 /nfs/dbraw/zinc/66/01/67/1041660167.db2.gz FETSBIGGJAQYSE-CNCYXEHGSA-N 1 0 327.472 4.058 20 30 EIEDRO CC[C@@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437102498 1041660344 /nfs/dbraw/zinc/66/03/44/1041660344.db2.gz WVUIMQVPOMKYAV-ZTRSQXPZSA-N 1 0 327.472 4.202 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)cc1OCCCC#N ZINC000540803279 1041682678 /nfs/dbraw/zinc/68/26/78/1041682678.db2.gz SQKGROHUTLCLDI-RTBURBONSA-N 1 0 342.483 4.436 20 30 EIEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C[C@@H]1C ZINC000463743969 1041733311 /nfs/dbraw/zinc/73/33/11/1041733311.db2.gz JCZOGDYVNMBVBM-QIOBLTBWSA-N 1 0 327.472 4.058 20 30 EIEDRO CC(C)OCc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000540976179 1041760145 /nfs/dbraw/zinc/76/01/45/1041760145.db2.gz KMSONQGBVSPTAD-HNNXBMFYSA-N 1 0 326.415 4.473 20 30 EIEDRO C=C(C)COCC[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000540988845 1041768675 /nfs/dbraw/zinc/76/86/75/1041768675.db2.gz JEIOFSMUNQQSPY-OAHLLOKOSA-N 1 0 333.419 4.292 20 30 EIEDRO C=C1C[C@@H]2CC([NH2+]Cc3ncc(Br)s3)C[C@H](C1)C2 ZINC000714924417 1041785545 /nfs/dbraw/zinc/78/55/45/1041785545.db2.gz IQZYDJRYAFHCMW-FOSCPWQOSA-N 1 0 327.291 4.130 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCc2ccccc21 ZINC000437424407 1041796874 /nfs/dbraw/zinc/79/68/74/1041796874.db2.gz FLMGGQMPVMUOND-QGZVFWFLSA-N 1 0 328.362 4.279 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2ccnn2CC)C(C)(C)C)cc1 ZINC000506050629 1041804891 /nfs/dbraw/zinc/80/48/91/1041804891.db2.gz CJKURHBULINWMR-UHFFFAOYSA-N 1 0 327.472 4.269 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c(OC(F)F)c1 ZINC000437495984 1041822276 /nfs/dbraw/zinc/82/22/76/1041822276.db2.gz LGWJDWAZZJOQND-ZBFHGGJFSA-N 1 0 338.423 4.020 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[C@@H]1c1ccccc1 ZINC000437576348 1041844627 /nfs/dbraw/zinc/84/46/27/1041844627.db2.gz CCMOPDNVRPBDJC-QFBILLFUSA-N 1 0 340.492 4.098 20 30 EIEDRO N#CCc1ccc(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)cc1 ZINC000541280674 1041872812 /nfs/dbraw/zinc/87/28/12/1041872812.db2.gz HRZNIFIAZPQRKR-KRWDZBQOSA-N 1 0 349.409 4.413 20 30 EIEDRO N#CCc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000541283506 1041882421 /nfs/dbraw/zinc/88/24/21/1041882421.db2.gz WBEIOOVCRFJARK-UHFFFAOYSA-N 1 0 340.854 4.202 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000541281463 1041882707 /nfs/dbraw/zinc/88/27/07/1041882707.db2.gz FXTOZDOAVRPYML-UHFFFAOYSA-N 1 0 334.463 4.303 20 30 EIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000541314784 1041889265 /nfs/dbraw/zinc/88/92/65/1041889265.db2.gz JIIOOCXXAWGNCQ-QRWLVFNGSA-N 1 0 336.435 4.159 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000517250945 1041925141 /nfs/dbraw/zinc/92/51/41/1041925141.db2.gz XYJGSEJCEHLFCG-HCKVZZMMSA-N 1 0 342.302 4.069 20 30 EIEDRO CCC(CC)CN(CCC#N)Cc1ccc(C#N)cc1OC(F)F ZINC000437907928 1041967203 /nfs/dbraw/zinc/96/72/03/1041967203.db2.gz HUOSPTFJCZLWDM-UHFFFAOYSA-N 1 0 335.398 4.312 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000541576664 1042023518 /nfs/dbraw/zinc/02/35/18/1042023518.db2.gz PRWYTNFMXOGJBG-FCHUYYIVSA-N 1 0 334.463 4.365 20 30 EIEDRO C[C@@H](Cc1ccccc1F)[NH2+]CCSCc1ccccc1C#N ZINC000438070751 1042030532 /nfs/dbraw/zinc/03/05/32/1042030532.db2.gz FXZFJXBCTMOWSP-HNNXBMFYSA-N 1 0 328.456 4.151 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000517540768 1042065254 /nfs/dbraw/zinc/06/52/54/1042065254.db2.gz LNIIDJSOCJJLRD-UHFFFAOYSA-N 1 0 348.418 4.183 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700912 1042076964 /nfs/dbraw/zinc/07/69/64/1042076964.db2.gz GWZPBSAZWKIKSP-OALUTQOASA-N 1 0 342.389 4.189 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000464650491 1042097764 /nfs/dbraw/zinc/09/77/64/1042097764.db2.gz NJCQMWKZIMIYOJ-SFHVURJKSA-N 1 0 336.479 4.086 20 30 EIEDRO N#Cc1c(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cn2ccccc12 ZINC000464763272 1042155214 /nfs/dbraw/zinc/15/52/14/1042155214.db2.gz AMVWCINFPLWODJ-KRWDZBQOSA-N 1 0 347.487 4.425 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)CC)cc1OCC ZINC000302838054 1042162029 /nfs/dbraw/zinc/16/20/29/1042162029.db2.gz QFFTVYJLPJHMDP-GFCCVEGCSA-N 1 0 342.277 4.301 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464838466 1042182940 /nfs/dbraw/zinc/18/29/40/1042182940.db2.gz ZVOMXVISLVJYBK-RTBURBONSA-N 1 0 333.479 4.216 20 30 EIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000438472280 1042190710 /nfs/dbraw/zinc/19/07/10/1042190710.db2.gz XJRXKPPTOKSAKV-MRXNPFEDSA-N 1 0 328.378 4.436 20 30 EIEDRO CCC[C@H]1CN(Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001168439519 1042199565 /nfs/dbraw/zinc/19/95/65/1042199565.db2.gz VXMQLIPXXBWKPZ-QHCPKHFHSA-N 1 0 347.506 4.239 20 30 EIEDRO CC(C)[NH+](CCN(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000506256750 1042210180 /nfs/dbraw/zinc/21/01/80/1042210180.db2.gz WTQUTWUCBDJQSD-UHFFFAOYSA-N 1 0 344.503 4.070 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443656033 1042224549 /nfs/dbraw/zinc/22/45/49/1042224549.db2.gz QRQSTBMXBUYMSU-RHSMWYFYSA-N 1 0 326.827 4.426 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443655711 1042231768 /nfs/dbraw/zinc/23/17/68/1042231768.db2.gz QRQSTBMXBUYMSU-PBHICJAKSA-N 1 0 326.827 4.426 20 30 EIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3cc4ccccc4o3)CC2)cc1 ZINC000506297776 1042286075 /nfs/dbraw/zinc/28/60/75/1042286075.db2.gz MUWRLFMVCNJKOX-UHFFFAOYSA-N 1 0 345.446 4.012 20 30 EIEDRO Cc1cc(N(C)CCOCc2ccc(C#N)cc2)c2ccccc2[nH+]1 ZINC000517996331 1042307988 /nfs/dbraw/zinc/30/79/88/1042307988.db2.gz USDAJWHMAFSONG-UHFFFAOYSA-N 1 0 331.419 4.068 20 30 EIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000294317040 1042353583 /nfs/dbraw/zinc/35/35/83/1042353583.db2.gz ODCMFAJJOGJPCB-KLAILNCOSA-N 1 0 341.455 4.014 20 30 EIEDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc(Cl)cc2C#N)CC1 ZINC000609149752 1042393179 /nfs/dbraw/zinc/39/31/79/1042393179.db2.gz CBCBLWSTQQTRBS-UHFFFAOYSA-N 1 0 339.870 4.232 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)c(OCC(F)(F)F)c1 ZINC000153084597 1042395142 /nfs/dbraw/zinc/39/51/42/1042395142.db2.gz WLRCTGQIALFCOX-UHFFFAOYSA-N 1 0 340.370 4.159 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C2CC3(C2)CCCC3)ccc1OC ZINC000925395616 1042412337 /nfs/dbraw/zinc/41/23/37/1042412337.db2.gz DIYRXVXBBVVMJU-KRWDZBQOSA-N 1 0 328.456 4.189 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CC3(C2)CCCC3)ccc1OC ZINC000925395620 1042412682 /nfs/dbraw/zinc/41/26/82/1042412682.db2.gz DIYRXVXBBVVMJU-QGZVFWFLSA-N 1 0 328.456 4.189 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2ccc(-c3ccccc3F)o2)CC1 ZINC000518286786 1042453658 /nfs/dbraw/zinc/45/36/58/1042453658.db2.gz LDQIPKBGIDYAKE-UHFFFAOYSA-N 1 0 328.431 4.216 20 30 EIEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000439055678 1042484589 /nfs/dbraw/zinc/48/45/89/1042484589.db2.gz JNEQIABOAFLFHQ-QGZVFWFLSA-N 1 0 347.462 4.493 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)c(Cl)c1 ZINC000439423614 1042616140 /nfs/dbraw/zinc/61/61/40/1042616140.db2.gz PQLQMSMAOQCZGD-UHFFFAOYSA-N 1 0 326.827 4.297 20 30 EIEDRO COCc1ccc([C@H]2CCCN2Cc2ccc(C#N)cc2Cl)o1 ZINC000439449443 1042634638 /nfs/dbraw/zinc/63/46/38/1042634638.db2.gz IQUOLFIHPNCMKY-QGZVFWFLSA-N 1 0 330.815 4.288 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000439449369 1042634733 /nfs/dbraw/zinc/63/47/33/1042634733.db2.gz GPEWJIQOBJYASB-CGTJXYLNSA-N 1 0 332.875 4.237 20 30 EIEDRO C=CCC(C)(C)c1nc(-c2ccccc2OCC[NH+](CC)CC)no1 ZINC000426396859 1042645069 /nfs/dbraw/zinc/64/50/69/1042645069.db2.gz PJKHHNYPYWWUFN-UHFFFAOYSA-N 1 0 343.471 4.311 20 30 EIEDRO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518817957 1042710007 /nfs/dbraw/zinc/71/00/07/1042710007.db2.gz PWHNOEMFJBQWFR-PGNDWZGLSA-N 1 0 349.453 4.359 20 30 EIEDRO N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H]2C2CCC2)c2ccccc21 ZINC000174844903 1042715429 /nfs/dbraw/zinc/71/54/29/1042715429.db2.gz RLGVJAPMJPPOFN-IBGZPJMESA-N 1 0 335.451 4.002 20 30 EIEDRO CCSCC[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000492725392 1042733124 /nfs/dbraw/zinc/73/31/24/1042733124.db2.gz XIKWXFZUWKRQDS-LBPRGKRZSA-N 1 0 341.318 4.284 20 30 EIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444001360 1042738977 /nfs/dbraw/zinc/73/89/77/1042738977.db2.gz BTLGWTYNSRSWIJ-IFXJQAMLSA-N 1 0 328.843 4.386 20 30 EIEDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)c2ccccc2OC)cc1 ZINC000518890391 1042740775 /nfs/dbraw/zinc/74/07/75/1042740775.db2.gz WYFBFTXDXWHCMH-KUDFPVQQSA-N 1 0 336.435 4.075 20 30 EIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+]Cc2ccc(C#N)c(C)c2)c(C)c1 ZINC000443997639 1042746331 /nfs/dbraw/zinc/74/63/31/1042746331.db2.gz XVOBKSQIWCHFNE-JOCHJYFZSA-N 1 0 344.462 4.211 20 30 EIEDRO CC(C)c1ccc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)cc1 ZINC000030958406 1042756442 /nfs/dbraw/zinc/75/64/42/1042756442.db2.gz BRQDGXHKBJLHQJ-UHFFFAOYSA-N 1 0 341.480 4.204 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000492938295 1042771364 /nfs/dbraw/zinc/77/13/64/1042771364.db2.gz UONHBOVFGDHHLM-IEBWSBKVSA-N 1 0 341.499 4.107 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1C ZINC000519002865 1042785410 /nfs/dbraw/zinc/78/54/10/1042785410.db2.gz KHXFEQVOVYZBEU-QFBILLFUSA-N 1 0 341.499 4.061 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccccc1 ZINC000177472799 1042838620 /nfs/dbraw/zinc/83/86/20/1042838620.db2.gz MMQVQIHIIXMFGU-OTWHNJEPSA-N 1 0 349.478 4.104 20 30 EIEDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1(C)C ZINC000353935679 1042839305 /nfs/dbraw/zinc/83/93/05/1042839305.db2.gz VFWNQRFNJFENSF-ICSRJNTNSA-N 1 0 330.472 4.005 20 30 EIEDRO C[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000311384583 1042859028 /nfs/dbraw/zinc/85/90/28/1042859028.db2.gz WGXXYCBVARLARB-RXVVDRJESA-N 1 0 349.478 4.444 20 30 EIEDRO COc1ccc(-c2nc(C[NH2+]CC(C)(C)CCC#N)cs2)cc1 ZINC000072924051 1042869302 /nfs/dbraw/zinc/86/93/02/1042869302.db2.gz BDSDOVAYQDSPQW-UHFFFAOYSA-N 1 0 329.469 4.238 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(CC)cc2)cc(OC)c1OC ZINC000237179743 1042874702 /nfs/dbraw/zinc/87/47/02/1042874702.db2.gz POBSDDCOWNTZND-UHFFFAOYSA-N 1 0 325.452 4.285 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441656894 1042962323 /nfs/dbraw/zinc/96/23/23/1042962323.db2.gz IAHNFPIJEUENME-SFTDATJTSA-N 1 0 332.447 4.084 20 30 EIEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000441658422 1042966295 /nfs/dbraw/zinc/96/62/95/1042966295.db2.gz PQKJCOJFHDPGDV-MRXNPFEDSA-N 1 0 333.863 4.051 20 30 EIEDRO C=CCSCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000494049687 1043008201 /nfs/dbraw/zinc/00/82/01/1043008201.db2.gz PKSYGJRUJTUAPR-IBGZPJMESA-N 1 0 331.456 4.433 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248444305 1043121082 /nfs/dbraw/zinc/12/10/82/1043121082.db2.gz WBSWPBYHIQONQW-XJKSGUPXSA-N 1 0 348.372 4.172 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000248444303 1043123164 /nfs/dbraw/zinc/12/31/64/1043123164.db2.gz WBSWPBYHIQONQW-CZUORRHYSA-N 1 0 348.372 4.172 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000625457823 1043126183 /nfs/dbraw/zinc/12/61/83/1043126183.db2.gz QRAMHSOUENIKKE-CABCVRRESA-N 1 0 339.222 4.082 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184838062 1043134995 /nfs/dbraw/zinc/13/49/95/1043134995.db2.gz ZQKLGMBHWSDWDQ-CJNGLKHVSA-N 1 0 342.405 4.027 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000466547588 1043137063 /nfs/dbraw/zinc/13/70/63/1043137063.db2.gz FJCCLURUWQUOHW-LJQANCHMSA-N 1 0 342.527 4.397 20 30 EIEDRO Cc1nsc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000310442192 1043138386 /nfs/dbraw/zinc/13/83/86/1043138386.db2.gz WABMYXKFFARYCW-QGZVFWFLSA-N 1 0 340.496 4.037 20 30 EIEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000112699433 1043138955 /nfs/dbraw/zinc/13/89/55/1043138955.db2.gz IWKQBWVSPNMXAQ-NRFANRHFSA-N 1 0 335.451 4.216 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000185804419 1043221249 /nfs/dbraw/zinc/22/12/49/1043221249.db2.gz XXQWFAGTCPCVNP-QZTJIDSGSA-N 1 0 330.435 4.197 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)C1 ZINC000185879006 1043229438 /nfs/dbraw/zinc/22/94/38/1043229438.db2.gz XPLSIXJRFSGUTB-SWLSCSKDSA-N 1 0 327.255 4.182 20 30 EIEDRO N#CC1CCC(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000929333805 1043240028 /nfs/dbraw/zinc/24/00/28/1043240028.db2.gz YEMZVROUXQMDOO-BPNZPQAUSA-N 1 0 342.327 4.379 20 30 EIEDRO CC[C@]1(C)CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000441819442 1043252649 /nfs/dbraw/zinc/25/26/49/1043252649.db2.gz GQCWZZCIHKBURH-LJQANCHMSA-N 1 0 347.890 4.099 20 30 EIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000508044527 1043252693 /nfs/dbraw/zinc/25/26/93/1043252693.db2.gz BZSJFQJCRRJCFC-UHFFFAOYSA-N 1 0 343.268 4.388 20 30 EIEDRO N#Cc1ccc(F)cc1CN1CCC(c2ncccc2Cl)CC1 ZINC000429206920 1043330240 /nfs/dbraw/zinc/33/02/40/1043330240.db2.gz ONLIPDVAABSVGK-UHFFFAOYSA-N 1 0 329.806 4.125 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CCSCC1 ZINC000187359100 1043343197 /nfs/dbraw/zinc/34/31/97/1043343197.db2.gz FTBVYZMSSXQUQM-ZDUSSCGKSA-N 1 0 327.415 4.178 20 30 EIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000733902301 1043363128 /nfs/dbraw/zinc/36/31/28/1043363128.db2.gz PFRWHVRGOPGWPQ-KSSFIOAISA-N 1 0 330.432 4.037 20 30 EIEDRO C=CCC[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000188911093 1043385138 /nfs/dbraw/zinc/38/51/38/1043385138.db2.gz FOZMYURKUDSJPI-MSOLQXFVSA-N 1 0 342.508 4.217 20 30 EIEDRO C[N@H+](CCCSCC#N)Cc1cc(Br)ccc1Cl ZINC000494279139 1043398898 /nfs/dbraw/zinc/39/88/98/1043398898.db2.gz HKZIEBINLNLUSP-UHFFFAOYSA-N 1 0 347.709 4.181 20 30 EIEDRO Cc1cc([C@@H](NCc2cccc(C#N)c2)c2cccnc2)ccc1F ZINC000542481274 1043413334 /nfs/dbraw/zinc/41/33/34/1043413334.db2.gz RMEKRBRGJSGQAH-OAQYLSRUSA-N 1 0 331.394 4.280 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3ccc(C(C)C)cc3[nH]2)CC1 ZINC000729976077 1043423621 /nfs/dbraw/zinc/42/36/21/1043423621.db2.gz VWCZCZLXZQRTEP-UHFFFAOYSA-N 1 0 339.483 4.062 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)c1 ZINC000467435420 1043426321 /nfs/dbraw/zinc/42/63/21/1043426321.db2.gz SILJFXYNKWJUNR-NRFANRHFSA-N 1 0 349.384 4.153 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000520888064 1043427208 /nfs/dbraw/zinc/42/72/08/1043427208.db2.gz DWTZTNUEXYPENY-KRWDZBQOSA-N 1 0 349.544 4.100 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(-c3ccccc3)cc2C)CC1 ZINC000730125297 1043448137 /nfs/dbraw/zinc/44/81/37/1043448137.db2.gz RXEYSWNZSCOWLT-UHFFFAOYSA-N 1 0 349.478 4.434 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000494505728 1043505592 /nfs/dbraw/zinc/50/55/92/1043505592.db2.gz PFCNXSCGAHDNQI-ROUUACIJSA-N 1 0 347.245 4.485 20 30 EIEDRO Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CC#Cc2cccc(Cl)c2)cc1 ZINC000494478471 1043509236 /nfs/dbraw/zinc/50/92/36/1043509236.db2.gz VTRZPSUENFYUJN-OALUTQOASA-N 1 0 346.257 4.465 20 30 EIEDRO Clc1ccc([C@H]2OCC[C@@H]2[NH2+]CC#Cc2cccc(Cl)c2)cc1 ZINC000494478473 1043510747 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CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000521822277 1044013252 /nfs/dbraw/zinc/01/32/52/1044013252.db2.gz IFUMVNCEDWCILN-UHFFFAOYSA-N 1 0 342.826 4.351 20 30 EIEDRO C=C(CNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1)c1ccccc1 ZINC000673342736 1044048964 /nfs/dbraw/zinc/04/89/64/1044048964.db2.gz ZGBGQBNEGACTAL-UHFFFAOYSA-N 1 0 336.479 4.360 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000067978462 1044088644 /nfs/dbraw/zinc/08/86/44/1044088644.db2.gz LIIDIEXLCXEGHK-ZDUSSCGKSA-N 1 0 334.341 4.350 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2)CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000323802359 1044140094 /nfs/dbraw/zinc/14/00/94/1044140094.db2.gz JIQYRUGBFUTFMY-IBGZPJMESA-N 1 0 327.516 4.160 20 30 EIEDRO CCCCCCCC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000733227241 1044150849 /nfs/dbraw/zinc/15/08/49/1044150849.db2.gz JYXBHOXMMQHHPZ-UHFFFAOYSA-N 1 0 330.516 4.470 20 30 EIEDRO C#CCC[NH2+][C@H](C(=O)c1c[nH]c2c1cccc2CC)c1ccccc1 ZINC000733321938 1044183188 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CC1CCN([C@H](C[NH2+]CC(C)(C)CCC#N)c2cccs2)CC1 ZINC000174240077 1044238217 /nfs/dbraw/zinc/23/82/17/1044238217.db2.gz BWKSYYFZOAWXRO-QGZVFWFLSA-N 1 0 333.545 4.441 20 30 EIEDRO C[C@@H]1C[C@@H](NCc2ccccc2C#N)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168016434 1044249843 /nfs/dbraw/zinc/24/98/43/1044249843.db2.gz VWVBUJHFCYZIFR-OPMZPASUSA-N 1 0 333.479 4.089 20 30 EIEDRO C=CCC[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001127302940 1044306822 /nfs/dbraw/zinc/30/68/22/1044306822.db2.gz VMGDMKJEOGLYBP-VXKWHMMOSA-N 1 0 348.490 4.332 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Br)cc1 ZINC000042335657 1044312286 /nfs/dbraw/zinc/31/22/86/1044312286.db2.gz QQWNEMSTDAOKBW-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000322043551 1044340505 /nfs/dbraw/zinc/34/05/05/1044340505.db2.gz MTLCRSRWLOHLTL-WBAXXEDZSA-N 1 0 343.471 4.045 20 30 EIEDRO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742029 1044345254 /nfs/dbraw/zinc/34/52/54/1044345254.db2.gz PXBMDDLWLGSMRU-ROUUACIJSA-N 1 0 349.478 4.161 20 30 EIEDRO C=CC[C@H](CC)NC(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000466386168 1044349682 /nfs/dbraw/zinc/34/96/82/1044349682.db2.gz NUCXWWTWGPKFED-YZGWKJHDSA-N 1 0 343.515 4.208 20 30 EIEDRO C=CCOCCC[N@H+]1CCC[C@@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000348030037 1044367973 /nfs/dbraw/zinc/36/79/73/1044367973.db2.gz IHPGOWITZRDVPW-LJQANCHMSA-N 1 0 325.456 4.115 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000922270974 1044371949 /nfs/dbraw/zinc/37/19/49/1044371949.db2.gz ZXKXEPWYTBVPIT-HXUWFJFHSA-N 1 0 342.446 4.138 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2)s1 ZINC000383842719 1044399667 /nfs/dbraw/zinc/39/96/67/1044399667.db2.gz VOOQEANIQBJMRC-UHFFFAOYSA-N 1 0 334.444 4.489 20 30 EIEDRO Oc1ccccc1/C=N/[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903385 1044411870 /nfs/dbraw/zinc/41/18/70/1044411870.db2.gz MMWHHAUEPPCLEB-HPMPDSITSA-N 1 0 348.368 4.104 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000466414524 1044411811 /nfs/dbraw/zinc/41/18/11/1044411811.db2.gz KGSVWWLRUGYYKH-DENIHFKCSA-N 1 0 340.511 4.103 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000466423396 1044434555 /nfs/dbraw/zinc/43/45/55/1044434555.db2.gz CPISARACQCYSRK-UHFFFAOYSA-N 1 0 347.374 4.059 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000466425869 1044443535 /nfs/dbraw/zinc/44/35/35/1044443535.db2.gz PYWBUMBNYFVERZ-LLVKDONJSA-N 1 0 335.270 4.276 20 30 EIEDRO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc4ccccc43)CCO2)c1 ZINC000761758501 1044443719 /nfs/dbraw/zinc/44/37/19/1044443719.db2.gz ZKBCQGZNKCZKTM-QFIPXVFZSA-N 1 0 328.415 4.285 20 30 EIEDRO CCCC[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)C1CCC1 ZINC000542521050 1044474314 /nfs/dbraw/zinc/47/43/14/1044474314.db2.gz LKJHDPDGBGHBGY-INIZCTEOSA-N 1 0 333.501 4.124 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)N(CCCC)[C@H](CC)c2ccccc2)CC1 ZINC000734106020 1044485796 /nfs/dbraw/zinc/48/57/96/1044485796.db2.gz LFGQUTOBUTZZOD-OAQYLSRUSA-N 1 0 340.511 4.112 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC000914576310 1044522476 /nfs/dbraw/zinc/52/24/76/1044522476.db2.gz DBHUBNQWQUVSOH-GOSISDBHSA-N 1 0 346.268 4.171 20 30 EIEDRO C=CCn1c(SCCC[NH+]2CCCCC2)nnc1-c1cccs1 ZINC000466469352 1044567031 /nfs/dbraw/zinc/56/70/31/1044567031.db2.gz RUBLJPQONCUBSQ-UHFFFAOYSA-N 1 0 348.541 4.161 20 30 EIEDRO CC(C)([NH2+]Cc1cnc(CC(F)(F)F)s1)c1cccc(C#N)c1 ZINC000895328114 1044589861 /nfs/dbraw/zinc/58/98/61/1044589861.db2.gz KTAUSEYSVWGGDJ-UHFFFAOYSA-N 1 0 339.386 4.144 20 30 EIEDRO C=CC[C@@H]([NH2+]Cc1ccc(OC)c(OCC(=C)C)c1)c1ccncc1 ZINC000734510427 1044593538 /nfs/dbraw/zinc/59/35/38/1044593538.db2.gz UWWDQHDWHVOQCN-LJQANCHMSA-N 1 0 338.451 4.452 20 30 EIEDRO COc1cccc(O)c1/C=N\C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000734749693 1044662745 /nfs/dbraw/zinc/66/27/45/1044662745.db2.gz LXMKJWIXYJUNLU-GRVPHDJPSA-N 1 0 338.451 4.045 20 30 EIEDRO C=CCC[C@@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000676446247 1044747743 /nfs/dbraw/zinc/74/77/43/1044747743.db2.gz UKHVOOCXRHBVBT-LJQANCHMSA-N 1 0 347.422 4.096 20 30 EIEDRO N#Cc1ccc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000474169044 1044748626 /nfs/dbraw/zinc/74/86/26/1044748626.db2.gz JVKVNHXTHNNTEN-JOCHJYFZSA-N 1 0 331.463 4.051 20 30 EIEDRO CCOc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000735306244 1044791641 /nfs/dbraw/zinc/79/16/41/1044791641.db2.gz LCHKRJQJWNFQBH-UHFFFAOYSA-N 1 0 344.842 4.273 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000735309481 1044797334 /nfs/dbraw/zinc/79/73/34/1044797334.db2.gz FWASXJGGXCHTCA-MRXNPFEDSA-N 1 0 326.827 4.232 20 30 EIEDRO C[N@H+](CCCOc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308871 1044799687 /nfs/dbraw/zinc/79/96/87/1044799687.db2.gz WSIMHQBFYZKAFU-UHFFFAOYSA-N 1 0 344.842 4.143 20 30 EIEDRO N#CC1CCC([NH2+]CCc2cc(Cl)cc(Br)c2)CC1 ZINC000895544525 1044805393 /nfs/dbraw/zinc/80/53/93/1044805393.db2.gz KYMSDJMUQGJAGV-UHFFFAOYSA-N 1 0 341.680 4.317 20 30 EIEDRO C=C(Br)CN(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000729542555 1044807990 /nfs/dbraw/zinc/80/79/90/1044807990.db2.gz LVNBBVWYOOOLOI-RDJZCZTQSA-N 1 0 337.305 4.052 20 30 EIEDRO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474231740 1044809680 /nfs/dbraw/zinc/80/96/80/1044809680.db2.gz VVSBJJCQEPHMDO-UHFFFAOYSA-N 1 0 338.426 4.005 20 30 EIEDRO C[C@H]1C[C@@H](N(C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318572 1044830675 /nfs/dbraw/zinc/83/06/75/1044830675.db2.gz TWFDGQZNIJJXGY-LPHOPBHVSA-N 1 0 339.508 4.105 20 30 EIEDRO C#CC[C@@H](NC(=O)c1ccc(C[N@@H+](CC)CCC)cc1)c1ccccc1 ZINC001127325948 1044834587 /nfs/dbraw/zinc/83/45/87/1044834587.db2.gz FXANJMQZNCAXRB-JOCHJYFZSA-N 1 0 348.490 4.413 20 30 EIEDRO C[C@H]1SCC[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000735673798 1044857070 /nfs/dbraw/zinc/85/70/70/1044857070.db2.gz HBPOIQSYBYINES-OXQOHEQNSA-N 1 0 338.476 4.268 20 30 EIEDRO COCC(C)(C)[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000429262398 1044858585 /nfs/dbraw/zinc/85/85/85/1044858585.db2.gz FKRIBAVZTGDNTE-UHFFFAOYSA-N 1 0 336.479 4.243 20 30 EIEDRO COc1ccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000499994074 1044875210 /nfs/dbraw/zinc/87/52/10/1044875210.db2.gz KMTQYOFTSYVVFT-UHFFFAOYSA-N 1 0 334.463 4.231 20 30 EIEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000922670525 1044879379 /nfs/dbraw/zinc/87/93/79/1044879379.db2.gz JNCRYFYRYKXWFQ-INIZCTEOSA-N 1 0 325.431 4.335 20 30 EIEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000495335148 1044885829 /nfs/dbraw/zinc/88/58/29/1044885829.db2.gz DHTWIACAERJZRM-GDBMZVCRSA-N 1 0 347.503 4.420 20 30 EIEDRO C=CCN(Cc1cccc(C#N)c1)Cc1ccccc1OC(F)F ZINC000303000374 1044933038 /nfs/dbraw/zinc/93/30/38/1044933038.db2.gz ODCPPJTURXLCOU-UHFFFAOYSA-N 1 0 328.362 4.348 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cccc(SC(F)(F)F)c1 ZINC000895857949 1044939296 /nfs/dbraw/zinc/93/92/96/1044939296.db2.gz IFVQBDYEMSRCSI-LLVKDONJSA-N 1 0 337.370 4.416 20 30 EIEDRO C[NH+](C)CC[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1cccnc1 ZINC000895891579 1044967284 /nfs/dbraw/zinc/96/72/84/1044967284.db2.gz JBKARUOZSYBEHP-QGZVFWFLSA-N 1 0 348.372 4.077 20 30 EIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NCc1cccc(C#N)c1 ZINC000125603184 1045027969 /nfs/dbraw/zinc/02/79/69/1045027969.db2.gz VQRAFOZGOKMYJL-UHFFFAOYSA-N 1 0 337.492 4.028 20 30 EIEDRO C=CCC1([NH2+]CC[C@H]2Sc3ccccc3NC2=O)CCCCC1 ZINC000625934356 1045040320 /nfs/dbraw/zinc/04/03/20/1045040320.db2.gz LAVWCKNDJGSIEL-QGZVFWFLSA-N 1 0 330.497 4.358 20 30 EIEDRO CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H](CC)c1ccccc1 ZINC000303671057 1045050307 /nfs/dbraw/zinc/05/03/07/1045050307.db2.gz YRHSZCDYVXACJH-CTNGQTDRSA-N 1 0 341.499 4.048 20 30 EIEDRO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H](CC)c1ccccc1 ZINC000303671060 1045051737 /nfs/dbraw/zinc/05/17/37/1045051737.db2.gz YRHSZCDYVXACJH-TZIWHRDSSA-N 1 0 341.499 4.048 20 30 EIEDRO CCOc1ccc(O)c(/C=N/C[C@@H](c2ccsc2)[NH+](CC)CC)c1 ZINC000915114126 1045114486 /nfs/dbraw/zinc/11/44/86/1045114486.db2.gz DUCIKURORFXZPP-TYJAPOHBSA-N 1 0 346.496 4.354 20 30 EIEDRO C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1cccc(C#N)c1 ZINC000074218606 1045137675 /nfs/dbraw/zinc/13/76/75/1045137675.db2.gz SHPHEABRQDHGII-HNNXBMFYSA-N 1 0 342.402 4.188 20 30 EIEDRO FC(F)(F)c1cccc(N=NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000739421095 1045140083 /nfs/dbraw/zinc/14/00/83/1045140083.db2.gz CXPAMLAHWUZRPK-UHFFFAOYSA-N 1 0 340.393 4.297 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCc1cccnc1 ZINC000131192844 1045171341 /nfs/dbraw/zinc/17/13/41/1045171341.db2.gz TULZWAJWUGBJFM-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccncc1 ZINC000766017714 1045179377 /nfs/dbraw/zinc/17/93/77/1045179377.db2.gz CFTRGMNOAKVBQK-DNVCBOLYSA-N 1 0 337.423 4.006 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cccc4c3OCO4)c2)s1 ZINC000740014883 1045180344 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4.472 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)ccn1 ZINC000611396985 1045300044 /nfs/dbraw/zinc/30/00/44/1045300044.db2.gz MOLXKPJUNOZKQX-NRFANRHFSA-N 1 0 331.394 4.166 20 30 EIEDRO N#CCCN(C(=O)C[NH2+][C@@H](CC1CC1)c1ccccc1)c1ccccc1 ZINC000611395639 1045301047 /nfs/dbraw/zinc/30/10/47/1045301047.db2.gz LNFLVMRRAVTOAP-NRFANRHFSA-N 1 0 347.462 4.064 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000611438298 1045308833 /nfs/dbraw/zinc/30/88/33/1045308833.db2.gz IHAMXRWSNTVYBU-QFIPXVFZSA-N 1 0 339.527 4.471 20 30 EIEDRO C[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465800 1045312773 /nfs/dbraw/zinc/31/27/73/1045312773.db2.gz UYHPYDIMBTUATR-QRWLVFNGSA-N 1 0 348.425 4.065 20 30 EIEDRO C[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465801 1045313235 /nfs/dbraw/zinc/31/32/35/1045313235.db2.gz UYHPYDIMBTUATR-YWZLYKJASA-N 1 0 348.425 4.065 20 30 EIEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000611465395 1045316690 /nfs/dbraw/zinc/31/66/90/1045316690.db2.gz FHEKORSRPYOITG-QWHCGFSZSA-N 1 0 328.387 4.126 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237690799 1045391979 /nfs/dbraw/zinc/39/19/79/1045391979.db2.gz RTDZQYOZCXKYQX-DYVFJYSZSA-N 1 0 348.899 4.252 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccc1OC(F)F ZINC000272335329 1045417693 /nfs/dbraw/zinc/41/76/93/1045417693.db2.gz YSVUCIFMHQYSAX-CYBMUJFWSA-N 1 0 328.362 4.500 20 30 EIEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000609223765 1045421794 /nfs/dbraw/zinc/42/17/94/1045421794.db2.gz WYWNVHFSGIQBKX-UHFFFAOYSA-N 1 0 343.268 4.432 20 30 EIEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000495922070 1045441968 /nfs/dbraw/zinc/44/19/68/1045441968.db2.gz NRGGETNXWMVDJV-CQSZACIVSA-N 1 0 333.476 4.032 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)ccc1C#N ZINC000767688366 1045612968 /nfs/dbraw/zinc/61/29/68/1045612968.db2.gz CVDGUGWWEZPDNM-KPZWWZAWSA-N 1 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Cc1cc(C)c(C#N)c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC001170332814 1046001458 /nfs/dbraw/zinc/00/14/58/1046001458.db2.gz HCSPKZWGWBZPMZ-OWZKRDHZSA-N 1 0 346.478 4.178 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000161521098 1046002812 /nfs/dbraw/zinc/00/28/12/1046002812.db2.gz JBWULRKROHRUHX-GOSISDBHSA-N 1 0 326.396 4.401 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(OC)c1)C1CCCC1 ZINC000769531857 1046008956 /nfs/dbraw/zinc/00/89/56/1046008956.db2.gz YRLRBKCJCHSASD-UHFFFAOYSA-N 1 0 341.373 4.014 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3ccc(O)cc3C2)CC1 ZINC001170364859 1046015395 /nfs/dbraw/zinc/01/53/95/1046015395.db2.gz INTUTCWLADZZLY-WQMHRJNTSA-N 1 0 346.474 4.243 20 30 EIEDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(O)c1 ZINC000769549124 1046016715 /nfs/dbraw/zinc/01/67/15/1046016715.db2.gz NUNRKOHDWJAEKQ-PMACEKPBSA-N 1 0 336.435 4.063 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2ncc3c2cccc3C[NH3+])CC1 ZINC001170369040 1046018038 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349.434 4.037 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170423869 1046117352 /nfs/dbraw/zinc/11/73/52/1046117352.db2.gz JQJQXJSPDAUUAC-KXBFYZLASA-N 1 0 335.407 4.407 20 30 EIEDRO CC(C)n1nccc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000792989718 1046121204 /nfs/dbraw/zinc/12/12/04/1046121204.db2.gz KCLMPDUHUDWPPL-UHFFFAOYSA-N 1 0 336.464 4.354 20 30 EIEDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000769990907 1046123951 /nfs/dbraw/zinc/12/39/51/1046123951.db2.gz PKPQELIDLUFVCP-ZWKOTPCHSA-N 1 0 348.368 4.183 20 30 EIEDRO CC(C)(C)c1ccc(N2CCC([NH2+][C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000770002120 1046127465 /nfs/dbraw/zinc/12/74/65/1046127465.db2.gz JMXICIBZSPFOON-APWZRJJASA-N 1 0 325.500 4.235 20 30 EIEDRO CCCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C)o1 ZINC000763407066 1046133946 /nfs/dbraw/zinc/13/39/46/1046133946.db2.gz MIEBYOPHNQRLNR-LPHOPBHVSA-N 1 0 326.440 4.356 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000770293816 1046173936 /nfs/dbraw/zinc/17/39/36/1046173936.db2.gz YFXRTNUHMPAQQR-IEBWSBKVSA-N 1 0 343.492 4.401 20 30 EIEDRO C=CC[C@@H]1N(C(=O)NCCCCCCC[NH+](C)C)CCCC1(C)C ZINC000770344280 1046190395 /nfs/dbraw/zinc/19/03/95/1046190395.db2.gz DOQJRFJGWKERCI-SFHVURJKSA-N 1 0 337.552 4.275 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000666840177 1046265020 /nfs/dbraw/zinc/26/50/20/1046265020.db2.gz TZMUYUDOZKFHHB-SJLPKXTDSA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000793528285 1046268394 /nfs/dbraw/zinc/26/83/94/1046268394.db2.gz RDHVWCWZXNELFY-JKSUJKDBSA-N 1 0 338.517 4.234 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)CCOCc1ccccc1)c1ccc(OCC#N)cc1 ZINC000287199818 1046300063 /nfs/dbraw/zinc/30/00/63/1046300063.db2.gz WGUOHCKVWPLBNR-ZWKOTPCHSA-N 1 0 338.451 4.235 20 30 EIEDRO C[C@]1(CCc2ccccc2)CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000282063282 1046313238 /nfs/dbraw/zinc/31/32/38/1046313238.db2.gz SGADYHVGSHTSED-NRFANRHFSA-N 1 0 340.511 4.432 20 30 EIEDRO C#CCCC[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271769413 1046383478 /nfs/dbraw/zinc/38/34/78/1046383478.db2.gz NMOVUKWVKPCQSQ-MRXNPFEDSA-N 1 0 338.426 4.071 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CC(F)(F)C2)c1 ZINC000428637519 1046418569 /nfs/dbraw/zinc/41/85/69/1046418569.db2.gz DTOAMSOFEOWRCT-UHFFFAOYSA-N 1 0 328.362 4.025 20 30 EIEDRO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000771521043 1046434371 /nfs/dbraw/zinc/43/43/71/1046434371.db2.gz OIIVPBZYMIRYLC-FLIBITNWSA-N 1 0 346.430 4.081 20 30 EIEDRO CO/N=C/c1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc(F)c1F ZINC001170453364 1046536650 /nfs/dbraw/zinc/53/66/50/1046536650.db2.gz JBKNDEPQIGNBKE-SRZZPIQSSA-N 1 0 339.430 4.008 20 30 EIEDRO CC[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000536650494 1046616148 /nfs/dbraw/zinc/61/61/48/1046616148.db2.gz IEXGTDANURQQDC-GOSISDBHSA-N 1 0 344.462 4.386 20 30 EIEDRO CC[C@@H]1C[C@]1(NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000459440860 1046668166 /nfs/dbraw/zinc/66/81/66/1046668166.db2.gz ANMZGVGBEZFMLN-OXQOHEQNSA-N 1 0 335.407 4.190 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000536696710 1046696106 /nfs/dbraw/zinc/69/61/06/1046696106.db2.gz FRPSRHPMOQNRKL-UHFFFAOYSA-N 1 0 342.483 4.294 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000536849983 1046821519 /nfs/dbraw/zinc/82/15/19/1046821519.db2.gz DALNDWIMWUUECP-KRWDZBQOSA-N 1 0 327.472 4.041 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)CCCc2cccnc2)cc(OC)c1O ZINC000459645784 1046832297 /nfs/dbraw/zinc/83/22/97/1046832297.db2.gz HLKOBGTYPQMSIJ-MRXNPFEDSA-N 1 0 340.467 4.025 20 30 EIEDRO CC(C)[N@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccc(C#N)cc1 ZINC000154389206 1046874742 /nfs/dbraw/zinc/87/47/42/1046874742.db2.gz SNJLVJDNEHOPAD-UHFFFAOYSA-N 1 0 348.475 4.487 20 30 EIEDRO C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC(C)(C)CC#N ZINC000459737198 1046874997 /nfs/dbraw/zinc/87/49/97/1046874997.db2.gz VXTNNZBNRVMCBF-NSHDSACASA-N 1 0 327.241 4.049 20 30 EIEDRO CCC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C1CCC1 ZINC000459801989 1046893728 /nfs/dbraw/zinc/89/37/28/1046893728.db2.gz LTGUQAHXSWXIIP-DNVCBOLYSA-N 1 0 345.462 4.019 20 30 EIEDRO CCN(C(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1)C1CCCCC1 ZINC000497618236 1046895658 /nfs/dbraw/zinc/89/56/58/1046895658.db2.gz LURLMWAEFOECMV-KRWDZBQOSA-N 1 0 341.499 4.122 20 30 EIEDRO CC[C@H](CSC)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537023978 1046899175 /nfs/dbraw/zinc/89/91/75/1046899175.db2.gz SNXJDRTZVKYIPC-LJQANCHMSA-N 1 0 340.492 4.368 20 30 EIEDRO CC[C@H](CSC)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537026556 1046900111 /nfs/dbraw/zinc/90/01/11/1046900111.db2.gz KZNGKYNEVUYSGS-LJQANCHMSA-N 1 0 340.492 4.368 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc3ccccc32)c1C#N ZINC000537041752 1046913397 /nfs/dbraw/zinc/91/33/97/1046913397.db2.gz BDQCELNDHSFPAE-OAHLLOKOSA-N 1 0 344.414 4.349 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1OC ZINC000537067083 1046920753 /nfs/dbraw/zinc/92/07/53/1046920753.db2.gz XJIQZVSKHFRINN-HNNXBMFYSA-N 1 0 343.854 4.450 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000537093303 1046942493 /nfs/dbraw/zinc/94/24/93/1046942493.db2.gz HCZAHPXBCMKJIW-JSGCOSHPSA-N 1 0 334.460 4.093 20 30 EIEDRO COc1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cc1C#N ZINC000787298006 1046972584 /nfs/dbraw/zinc/97/25/84/1046972584.db2.gz BAAGZNLCVUTWQX-UHFFFAOYSA-N 1 0 338.373 4.312 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000128586199 1046975281 /nfs/dbraw/zinc/97/52/81/1046975281.db2.gz SYSGUXBKCIQYDN-IEBWSBKVSA-N 1 0 343.446 4.070 20 30 EIEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826657 1047035930 /nfs/dbraw/zinc/03/59/30/1047035930.db2.gz GJLTYPQEOLPTRP-GOSISDBHSA-N 1 0 349.519 4.230 20 30 EIEDRO COC(=O)CC1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000497729889 1047036706 /nfs/dbraw/zinc/03/67/06/1047036706.db2.gz IPCGYFYNJCNEQS-UHFFFAOYSA-N 1 0 348.446 4.000 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CCCn2ccnc2)C(C)(C)C)cc1 ZINC000537250088 1047061454 /nfs/dbraw/zinc/06/14/54/1047061454.db2.gz VGXUZHPBLJDNQS-UHFFFAOYSA-N 1 0 327.472 4.139 20 30 EIEDRO CC(C)C1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000537292223 1047072820 /nfs/dbraw/zinc/07/28/20/1047072820.db2.gz GXHFOAROAPNKCH-UHFFFAOYSA-N 1 0 339.527 4.327 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)(C)C ZINC000537290835 1047073497 /nfs/dbraw/zinc/07/34/97/1047073497.db2.gz LRWDCKRIOWKZOO-MRXNPFEDSA-N 1 0 335.879 4.001 20 30 EIEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537292266 1047074509 /nfs/dbraw/zinc/07/45/09/1047074509.db2.gz HHZJJYBZEUGQDK-UTKZUKDTSA-N 1 0 339.527 4.327 20 30 EIEDRO CCC(CC)(CC)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537305719 1047088149 /nfs/dbraw/zinc/08/81/49/1047088149.db2.gz HSCLNMJLMMDQGK-UHFFFAOYSA-N 1 0 327.516 4.329 20 30 EIEDRO CC(C)(C#N)CC[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000537363997 1047151931 /nfs/dbraw/zinc/15/19/31/1047151931.db2.gz PGBOHOSWVLJCNC-QGZVFWFLSA-N 1 0 345.874 4.028 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2cccc(C)c2)cc1 ZINC000917842601 1047165375 /nfs/dbraw/zinc/16/53/75/1047165375.db2.gz YCKHREGKNDOXTJ-IBGZPJMESA-N 1 0 349.478 4.071 20 30 EIEDRO C#CCC1(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)CCCCC1 ZINC000788451041 1047191288 /nfs/dbraw/zinc/19/12/88/1047191288.db2.gz NRBQDYUZQQGTJY-QGZVFWFLSA-N 1 0 349.478 4.332 20 30 EIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000537405390 1047196623 /nfs/dbraw/zinc/19/66/23/1047196623.db2.gz IMWATHSDDSSZNT-KZULUSFZSA-N 1 0 332.806 4.389 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000537405828 1047196713 /nfs/dbraw/zinc/19/67/13/1047196713.db2.gz XQILMNGFYLVFQL-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO C[C@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537407929 1047198764 /nfs/dbraw/zinc/19/87/64/1047198764.db2.gz YAVNEACBHJSDLU-HOTGVXAUSA-N 1 0 339.458 4.477 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(N2CCOCC2)cc1Cl ZINC000806178652 1047201016 /nfs/dbraw/zinc/20/10/16/1047201016.db2.gz WGLZQXLHZUZICV-HNNXBMFYSA-N 1 0 349.906 4.157 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000537408376 1047202076 /nfs/dbraw/zinc/20/20/76/1047202076.db2.gz XJHKSCSSYKPILZ-KBPBESRZSA-N 1 0 342.414 4.435 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000788532153 1047227093 /nfs/dbraw/zinc/22/70/93/1047227093.db2.gz MAOYLSATJRBUNZ-OAQYLSRUSA-N 1 0 348.490 4.095 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCCCC)[C@H](C)CCC)CC1 ZINC000476039537 1047246218 /nfs/dbraw/zinc/24/62/18/1047246218.db2.gz GEBRRHSSMQIQPB-GOSISDBHSA-N 1 0 337.552 4.417 20 30 EIEDRO C=C(Br)CN(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000729542554 1047247668 /nfs/dbraw/zinc/24/76/68/1047247668.db2.gz LVNBBVWYOOOLOI-NVXWUHKLSA-N 1 0 337.305 4.052 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1ccc(OCC#N)cc1 ZINC000788619619 1047252123 /nfs/dbraw/zinc/25/21/23/1047252123.db2.gz JZBHDTYKPHCQRM-NSHDSACASA-N 1 0 336.769 4.371 20 30 EIEDRO COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]Cc1ccc(OCC#N)cc1 ZINC000788987356 1047343943 /nfs/dbraw/zinc/34/39/43/1047343943.db2.gz LDYHGBZAKFLECH-HXUWFJFHSA-N 1 0 336.435 4.110 20 30 EIEDRO COc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)cc1C#N ZINC000760459471 1047377806 /nfs/dbraw/zinc/37/78/06/1047377806.db2.gz WUUDZAKGMVYMJX-UHFFFAOYSA-N 1 0 342.389 4.404 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2cccc(Br)c2)C2CC2)cc1 ZINC000026446136 1047396388 /nfs/dbraw/zinc/39/63/88/1047396388.db2.gz UZMOGGJQBIDRBJ-UHFFFAOYSA-N 1 0 341.252 4.485 20 30 EIEDRO C[NH+](C)[C@H](C/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000746816228 1047428835 /nfs/dbraw/zinc/42/88/35/1047428835.db2.gz OOZQGHHHTJRPLL-OVEPSTSESA-N 1 0 337.250 4.421 20 30 EIEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000476267912 1047441016 /nfs/dbraw/zinc/44/10/16/1047441016.db2.gz BBKSPTALTZOYEQ-IBGZPJMESA-N 1 0 345.446 4.027 20 30 EIEDRO C=CCCC1(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000476313865 1047466504 /nfs/dbraw/zinc/46/65/04/1047466504.db2.gz LFVNTMPOBUDAKO-SFHVURJKSA-N 1 0 332.532 4.236 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(F)(c3ccccc3)CC2)cc1 ZINC000789757366 1047468425 /nfs/dbraw/zinc/46/84/25/1047468425.db2.gz MYVALDHVXIGDEJ-KRWDZBQOSA-N 1 0 338.426 4.438 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCSC(C)(C)C2)cc1OCCCC#N ZINC000897799921 1047484734 /nfs/dbraw/zinc/48/47/34/1047484734.db2.gz MBKYQZHBZYQOJQ-MRXNPFEDSA-N 1 0 348.512 4.142 20 30 EIEDRO Cc1cccnc1N=NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000790185232 1047533177 /nfs/dbraw/zinc/53/31/77/1047533177.db2.gz DVOYSMBCYLFEDV-UHFFFAOYSA-N 1 0 328.847 4.107 20 30 EIEDRO Cc1cccnc1N=NC1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000790188230 1047533634 /nfs/dbraw/zinc/53/36/34/1047533634.db2.gz WIWQDWDSNAZTGU-RBUKOAKNSA-N 1 0 334.467 4.090 20 30 EIEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000918739302 1047631263 /nfs/dbraw/zinc/63/12/63/1047631263.db2.gz JUEHRFSLHHNQFL-KRWDZBQOSA-N 1 0 333.435 4.282 20 30 EIEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000460355360 1047667159 /nfs/dbraw/zinc/66/71/59/1047667159.db2.gz WTQHUDPRZJSBEN-IHPCNDPISA-N 1 0 341.499 4.126 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](C)c2cc(C)ccc2C)CC1 ZINC000106275711 1047671715 /nfs/dbraw/zinc/67/17/15/1047671715.db2.gz TYXCOMLLTWRQHG-SFHVURJKSA-N 1 0 343.515 4.046 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1Br ZINC000618741004 1047809938 /nfs/dbraw/zinc/80/99/38/1047809938.db2.gz BOJMRBVGGSEVHQ-GOSISDBHSA-N 1 0 341.252 4.406 20 30 EIEDRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1ccc(C#N)cc1 ZINC000808379570 1047881369 /nfs/dbraw/zinc/88/13/69/1047881369.db2.gz QWLOITJFFXALBC-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000808449218 1047910246 /nfs/dbraw/zinc/91/02/46/1047910246.db2.gz RAZXXSJJSDTNGI-FCHUYYIVSA-N 1 0 328.415 4.123 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)cc1 ZINC000824964265 1047992403 /nfs/dbraw/zinc/99/24/03/1047992403.db2.gz PWCSSZFEWSLLGB-MRXNPFEDSA-N 1 0 340.298 4.100 20 30 EIEDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc(N(C)CCC#N)cc3)C2)c1 ZINC000825090732 1048036330 /nfs/dbraw/zinc/03/63/30/1048036330.db2.gz GGWZBJJBNJUSBI-MXVIHJGJSA-N 1 0 349.478 4.081 20 30 EIEDRO C#CCCC[NH2+][C@H](Cc1ccc(Cl)cc1)Cc1ccc(CC)cn1 ZINC000808699423 1048080128 /nfs/dbraw/zinc/08/01/28/1048080128.db2.gz GJSHOXRWGRAONB-OAQYLSRUSA-N 1 0 340.898 4.454 20 30 EIEDRO CCS[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000556872160 1048094222 /nfs/dbraw/zinc/09/42/22/1048094222.db2.gz ORFUHRBYQAKHEX-AZUAARDMSA-N 1 0 343.540 4.181 20 30 EIEDRO C=CCC[C@@H](OC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000805900683 1048096985 /nfs/dbraw/zinc/09/69/85/1048096985.db2.gz SIDWVQCADGOSPY-HXUWFJFHSA-N 1 0 327.468 4.187 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000556886607 1048104128 /nfs/dbraw/zinc/10/41/28/1048104128.db2.gz XGZKKDRYOXDBHC-BHDDXSALSA-N 1 0 334.463 4.194 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000814660664 1048107204 /nfs/dbraw/zinc/10/72/04/1048107204.db2.gz YFIAIYHLHSHWNO-QZTJIDSGSA-N 1 0 330.378 4.023 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000814661354 1048107363 /nfs/dbraw/zinc/10/73/63/1048107363.db2.gz XTDQYDXOAFXIAH-RBUKOAKNSA-N 1 0 330.378 4.023 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)cc1 ZINC000556908378 1048176980 /nfs/dbraw/zinc/17/69/80/1048176980.db2.gz IWFPIJZZYKZQFS-NRFANRHFSA-N 1 0 337.463 4.245 20 30 EIEDRO Cc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001143769463 1048188360 /nfs/dbraw/zinc/18/83/60/1048188360.db2.gz NHDHUWJYNVHZBE-LJQANCHMSA-N 1 0 342.389 4.188 20 30 EIEDRO [NH2+]=C(N[C@H]1CCc2cc(Cl)ccc2C1)c1ccc2ccccc2n1 ZINC001171104972 1048196306 /nfs/dbraw/zinc/19/63/06/1048196306.db2.gz LXYMJUDSMSLHTP-KRWDZBQOSA-N 1 0 335.838 4.151 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)OC[C@H]2CC[C@@H](C#N)CC2)cc1)C(C)C ZINC000809088546 1048204733 /nfs/dbraw/zinc/20/47/33/1048204733.db2.gz SHLHNNZSEVCWEB-IZAXUBKRSA-N 1 0 342.483 4.404 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)c1O ZINC000919939506 1048321732 /nfs/dbraw/zinc/32/17/32/1048321732.db2.gz YFBWXKKNJUCPEK-GOSISDBHSA-N 1 0 342.439 4.153 20 30 EIEDRO C=C[C@@H](C)ONC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000844488246 1048362864 /nfs/dbraw/zinc/36/28/64/1048362864.db2.gz RYLMQHSWQJTBQS-OAHLLOKOSA-N 1 0 331.460 4.079 20 30 EIEDRO N#Cc1cncc(CN2CCSC[C@@H]2c2cccc3ccccc32)c1 ZINC001144086445 1048404025 /nfs/dbraw/zinc/40/40/25/1048404025.db2.gz SNMSRAPUKBDCNE-OAQYLSRUSA-N 1 0 345.471 4.397 20 30 EIEDRO C#Cc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2SC)cc1 ZINC000809580344 1048409470 /nfs/dbraw/zinc/40/94/70/1048409470.db2.gz IODORTXYSPLOHB-UHFFFAOYSA-N 1 0 341.476 4.039 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cccc(COCc3ccco3)c2)cc1 ZINC000809606222 1048414204 /nfs/dbraw/zinc/41/42/04/1048414204.db2.gz WVVJGPOSEJZXIK-UHFFFAOYSA-N 1 0 331.415 4.268 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](Cc2ccc(C)cc2)c2ccccn2)cc1 ZINC000809621004 1048425087 /nfs/dbraw/zinc/42/50/87/1048425087.db2.gz YIWFIXGBEDOIRC-HSZRJFAPSA-N 1 0 326.443 4.445 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)cc1 ZINC000809641802 1048448649 /nfs/dbraw/zinc/44/86/49/1048448649.db2.gz SNKZOTJLEOLFKC-UHFFFAOYSA-N 1 0 339.236 4.202 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)s1 ZINC000809699345 1048462803 /nfs/dbraw/zinc/46/28/03/1048462803.db2.gz QNPMWUJRVMKLJH-OAQYLSRUSA-N 1 0 348.471 4.356 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000809703057 1048486386 /nfs/dbraw/zinc/48/63/86/1048486386.db2.gz CPVJMORWVHIAHG-GOSISDBHSA-N 1 0 334.246 4.188 20 30 EIEDRO CCOc1cccc(/C=N\[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1O ZINC000920174134 1048571121 /nfs/dbraw/zinc/57/11/21/1048571121.db2.gz KIOLQSIBANIVNC-KDNRWNGDSA-N 1 0 338.451 4.045 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](/N=C/c2cc(Cl)ccc2O)C1 ZINC000920173964 1048572049 /nfs/dbraw/zinc/57/20/49/1048572049.db2.gz HYDPHKARPWQBRI-IHGRXGKKSA-N 1 0 328.843 4.300 20 30 EIEDRO C=CCC(C)(C)c1noc(/C=C\c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000815705609 1048588563 /nfs/dbraw/zinc/58/85/63/1048588563.db2.gz SINZKODWHRRXIU-XFXZXTDPSA-N 1 0 341.455 4.034 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc(C)c(C)c(C)c3C#N)c2c1 ZINC001171164000 1048605113 /nfs/dbraw/zinc/60/51/13/1048605113.db2.gz FOOGRCQGGJTTGJ-CYBMUJFWSA-N 1 0 332.451 4.021 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc(OCCC#N)cc3)c2c1 ZINC001171170185 1048621670 /nfs/dbraw/zinc/62/16/70/1048621670.db2.gz VARKGZWFXHTUAJ-INIZCTEOSA-N 1 0 333.435 4.121 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128839 1048639384 /nfs/dbraw/zinc/63/93/84/1048639384.db2.gz KDNLHFDEOXYZFH-IAGOWNOFSA-N 1 0 347.462 4.487 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000810153495 1048658619 /nfs/dbraw/zinc/65/86/19/1048658619.db2.gz YLZUTMCMCFFVJI-BXKDBHETSA-N 1 0 347.178 4.250 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2cccc(F)c2)ccc1O ZINC000920383178 1048660427 /nfs/dbraw/zinc/66/04/27/1048660427.db2.gz BFQHWETYYBUGJW-UHFFFAOYSA-N 1 0 329.419 4.209 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1cccc(Br)c1 ZINC001171178985 1048660836 /nfs/dbraw/zinc/66/08/36/1048660836.db2.gz NHIZCZFMOBJCMB-AWEZNQCLSA-N 1 0 343.268 4.084 20 30 EIEDRO CC(C)C(=O)Nc1cccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171181995 1048661747 /nfs/dbraw/zinc/66/17/47/1048661747.db2.gz GTISIRMXYVWUKZ-UHFFFAOYSA-N 1 0 347.418 4.177 20 30 EIEDRO [NH2+]=C(Nc1ccc(-c2csnn2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171182804 1048674634 /nfs/dbraw/zinc/67/46/34/1048674634.db2.gz SZSQMXDHTOWGCV-UHFFFAOYSA-N 1 0 346.415 4.101 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC001171186593 1048678066 /nfs/dbraw/zinc/67/80/66/1048678066.db2.gz XDECUUWZVAWKOM-HTAPYJJXSA-N 1 0 327.431 4.263 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)CC2 ZINC000810218087 1048686308 /nfs/dbraw/zinc/68/63/08/1048686308.db2.gz OSXBEUZUMXMLIC-MSOLQXFVSA-N 1 0 347.245 4.176 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc(Br)nc1)c1ccccc1 ZINC000810229568 1048697477 /nfs/dbraw/zinc/69/74/77/1048697477.db2.gz YWJBXTRKYDEQTC-CJNGLKHVSA-N 1 0 329.241 4.259 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(Br)nc1)c1ccccc1 ZINC000810229569 1048698200 /nfs/dbraw/zinc/69/82/00/1048698200.db2.gz YWJBXTRKYDEQTC-CZUORRHYSA-N 1 0 329.241 4.259 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1c2ccc(F)cc2c2c1C[C@H]([NH3+])CC2 ZINC001171194466 1048699778 /nfs/dbraw/zinc/69/97/78/1048699778.db2.gz JPJJNSOHVCQUJS-RDTXWAMCSA-N 1 0 347.437 4.272 20 30 EIEDRO COc1ccc(CC(C)(C)C[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171198021 1048731439 /nfs/dbraw/zinc/73/14/39/1048731439.db2.gz GVPXAUZEOSQQJM-KRWDZBQOSA-N 1 0 336.479 4.356 20 30 EIEDRO C#Cc1ccc(C[N@H+]2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)cc1 ZINC001144573888 1048732075 /nfs/dbraw/zinc/73/20/75/1048732075.db2.gz SCEWZQYAEIXXTE-QHCPKHFHSA-N 1 0 348.465 4.048 20 30 EIEDRO C#Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)cc1 ZINC001144569012 1048733120 /nfs/dbraw/zinc/73/31/20/1048733120.db2.gz IOEICNRVFWYGTL-GOTSBHOMSA-N 1 0 331.459 4.207 20 30 EIEDRO Cc1ccccc1OC1CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171204029 1048775643 /nfs/dbraw/zinc/77/56/43/1048775643.db2.gz RIFOIIFKQQGPTI-GOSISDBHSA-N 1 0 334.463 4.341 20 30 EIEDRO Cc1cc(C(F)(F)F)ccc1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846009045 1048787113 /nfs/dbraw/zinc/78/71/13/1048787113.db2.gz ZXLIQMYHOHFBPP-SFHVURJKSA-N 1 0 348.368 4.051 20 30 EIEDRO C[C@]1(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@@]1(F)Cl ZINC000846037473 1048801966 /nfs/dbraw/zinc/80/19/66/1048801966.db2.gz NNOHXAPRKBUJBV-KBPBESRZSA-N 1 0 334.744 4.371 20 30 EIEDRO CCOc1ccc(/C=N/C[C@H](c2ccccc2)[NH+](CC)CC)c(O)c1 ZINC000920943942 1048817148 /nfs/dbraw/zinc/81/71/48/1048817148.db2.gz MEPJHQLXWYXDMP-INKLHFNDSA-N 1 0 340.467 4.293 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2nc3ccccc3s2)c(O)c1 ZINC000920943954 1048817885 /nfs/dbraw/zinc/81/78/85/1048817885.db2.gz MKPNBTYVOSSBCN-NDENLUEZSA-N 1 0 339.464 4.467 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000920944096 1048817993 /nfs/dbraw/zinc/81/79/93/1048817993.db2.gz PQZQADXYDAULIC-LZAZYHHXSA-N 1 0 328.843 4.302 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1 ZINC000846103012 1048821131 /nfs/dbraw/zinc/82/11/31/1048821131.db2.gz SYTDHGJAWKGWIN-HNNXBMFYSA-N 1 0 340.298 4.100 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000846106342 1048822746 /nfs/dbraw/zinc/82/27/46/1048822746.db2.gz GOAKLBWBAXEHNF-UHFFFAOYSA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001171220788 1048855639 /nfs/dbraw/zinc/85/56/39/1048855639.db2.gz BYPHXLYDPLIUJM-IUKKYPGJSA-N 1 0 348.490 4.495 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC001171221826 1048857449 /nfs/dbraw/zinc/85/74/49/1048857449.db2.gz VQDYAPLUZCCSPN-MRXNPFEDSA-N 1 0 338.426 4.172 20 30 EIEDRO COc1ccccc1C1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171222995 1048858102 /nfs/dbraw/zinc/85/81/02/1048858102.db2.gz LAYBLBGMEPVPOW-KRWDZBQOSA-N 1 0 334.463 4.377 20 30 EIEDRO C=CCCCCCCCCC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001144795988 1048858779 /nfs/dbraw/zinc/85/87/79/1048858779.db2.gz UHANOXSIFRPUIJ-UHFFFAOYSA-N 1 0 332.532 4.238 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001171224237 1048859238 /nfs/dbraw/zinc/85/92/38/1048859238.db2.gz QCMTUJFTZGZZFV-MGPUTAFESA-N 1 0 340.467 4.418 20 30 EIEDRO C=CCC1(C(=O)Nc2ccc3oc(C[NH+]4CCCC4)nc3c2)CCC1 ZINC000816766149 1048859644 /nfs/dbraw/zinc/85/96/44/1048859644.db2.gz LFQJXJNBZTZMON-UHFFFAOYSA-N 1 0 339.439 4.109 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001171223324 1048860929 /nfs/dbraw/zinc/86/09/29/1048860929.db2.gz MRKWGDDQUVUJBT-GCJKJVERSA-N 1 0 334.463 4.170 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001171232447 1048877587 /nfs/dbraw/zinc/87/75/87/1048877587.db2.gz SKXJIXPQAPSSEX-CVDCTZTESA-N 1 0 347.506 4.086 20 30 EIEDRO O[C@@H](C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1)c1ccco1 ZINC000747659332 1048899726 /nfs/dbraw/zinc/89/97/26/1048899726.db2.gz YZXOKXQQBWFTLX-NRFANRHFSA-N 1 0 349.405 4.006 20 30 EIEDRO SCCCCCC[NH2+][C@@H]1CCc2ccc(Br)cc2C1 ZINC001170867543 1048961390 /nfs/dbraw/zinc/96/13/90/1048961390.db2.gz IQQASHIUMGRDHO-MRXNPFEDSA-N 1 0 342.346 4.386 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(Cl)ccc1OC ZINC000772959416 1048993398 /nfs/dbraw/zinc/99/33/98/1048993398.db2.gz MKZUZEYQMKNWOU-SFHVURJKSA-N 1 0 344.842 4.492 20 30 EIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc(C2(C#N)CC2)cc1 ZINC001212255864 1048996442 /nfs/dbraw/zinc/99/64/42/1048996442.db2.gz HKLGGNNBGDWYMH-UHFFFAOYSA-N 1 0 346.478 4.046 20 30 EIEDRO C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(OCC#N)cc1 ZINC000772960216 1048996034 /nfs/dbraw/zinc/99/60/34/1048996034.db2.gz QHEQHHMHFVHPPM-SCLBCKFNSA-N 1 0 326.827 4.060 20 30 EIEDRO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001171265770 1049000724 /nfs/dbraw/zinc/00/07/24/1049000724.db2.gz AKUOJVKBVLHIQV-BBRMVZONSA-N 1 0 348.874 4.011 20 30 EIEDRO N#CCN1CCC([NH2+]Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000609335215 1049011202 /nfs/dbraw/zinc/01/12/02/1049011202.db2.gz YECZPWQDKYKVDA-UHFFFAOYSA-N 1 0 345.899 4.146 20 30 EIEDRO Cc1c[nH]c2cccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c12 ZINC001171277234 1049020868 /nfs/dbraw/zinc/02/08/68/1049020868.db2.gz OJAJDJQJVXRUHE-UHFFFAOYSA-N 1 0 344.462 4.447 20 30 EIEDRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC1(CC#N)CC1 ZINC001170633470 1049037080 /nfs/dbraw/zinc/03/70/80/1049037080.db2.gz YDGDLBGQRMVZCK-OAHLLOKOSA-N 1 0 333.273 4.356 20 30 EIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000064361721 1049068123 /nfs/dbraw/zinc/06/81/23/1049068123.db2.gz RYZDFOOYBDISJO-UHFFFAOYSA-N 1 0 341.499 4.042 20 30 EIEDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc(C4(C#N)CC4)cc3)cccc21 ZINC001212259934 1049094378 /nfs/dbraw/zinc/09/43/78/1049094378.db2.gz BYPVTHYSRXTHTM-IBGZPJMESA-N 1 0 333.435 4.371 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC001171297941 1049097716 /nfs/dbraw/zinc/09/77/16/1049097716.db2.gz QPXUSBFTEGFZLV-AEFFLSMTSA-N 1 0 327.472 4.033 20 30 EIEDRO C#C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000811517434 1049101488 /nfs/dbraw/zinc/10/14/88/1049101488.db2.gz SOFPORPXTNSYCN-KRWDZBQOSA-N 1 0 348.874 4.003 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c(Cl)c1 ZINC000818332686 1049130360 /nfs/dbraw/zinc/13/03/60/1049130360.db2.gz OQSVKVKPEURRKA-CYBMUJFWSA-N 1 0 330.815 4.102 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccco1 ZINC000818342051 1049134594 /nfs/dbraw/zinc/13/45/94/1049134594.db2.gz KTKZUJKJXMXBAO-YLJYHZDGSA-N 1 0 340.467 4.412 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000078533520 1049243711 /nfs/dbraw/zinc/24/37/11/1049243711.db2.gz KNIROQJSFZPEJE-FQEVSTJZSA-N 1 0 343.515 4.114 20 30 EIEDRO C=CC[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccncc1 ZINC000819073374 1049258753 /nfs/dbraw/zinc/25/87/53/1049258753.db2.gz CWAYRSPEINKEPE-IRXDYDNUSA-N 1 0 336.357 4.041 20 30 EIEDRO COc1cc(C[NH+]2CCCCC2)ccc1OCc1cccc(C#N)c1 ZINC000609739479 1049307217 /nfs/dbraw/zinc/30/72/17/1049307217.db2.gz QJUTYEKGPFTBGF-UHFFFAOYSA-N 1 0 336.435 4.132 20 30 EIEDRO C[C@H]1SCC[N@H+](CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000609829487 1049349280 /nfs/dbraw/zinc/34/92/80/1049349280.db2.gz XPHRXLKLMOZRFP-OXQOHEQNSA-N 1 0 338.476 4.116 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001136252741 1049356714 /nfs/dbraw/zinc/35/67/14/1049356714.db2.gz ORZDGDAQQKCDAR-ROUUACIJSA-N 1 0 342.527 4.383 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001136252740 1049357622 /nfs/dbraw/zinc/35/76/22/1049357622.db2.gz ORZDGDAQQKCDAR-QZTJIDSGSA-N 1 0 342.527 4.383 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000079392735 1049394190 /nfs/dbraw/zinc/39/41/90/1049394190.db2.gz IJDOGUPGKKNUFN-LJQANCHMSA-N 1 0 343.515 4.039 20 30 EIEDRO N#Cc1c(Cl)nsc1S[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000819933979 1049394306 /nfs/dbraw/zinc/39/43/06/1049394306.db2.gz FTOJEBRQJRFPHA-ZDUSSCGKSA-N 1 0 349.912 4.425 20 30 EIEDRO COC[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000348219775 1049488376 /nfs/dbraw/zinc/48/83/76/1049488376.db2.gz DNQIWESOYBZVLB-HNNXBMFYSA-N 1 0 328.378 4.312 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000348207229 1049495248 /nfs/dbraw/zinc/49/52/48/1049495248.db2.gz NYUIRVYIXRBWCO-HNNXBMFYSA-N 1 0 325.378 4.397 20 30 EIEDRO C=C(Cl)C[NH2+][C@@H](CCCOC)c1ccc(Br)cc1 ZINC000773005780 1049516112 /nfs/dbraw/zinc/51/61/12/1049516112.db2.gz UCFNCMHJSXHDRN-AWEZNQCLSA-N 1 0 332.669 4.259 20 30 EIEDRO C#CCSCC[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000773011837 1049527230 /nfs/dbraw/zinc/52/72/30/1049527230.db2.gz XTSBBDHKRMFDQA-GFCCVEGCSA-N 1 0 334.485 4.275 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(N2CCCCC2)cc1 ZINC000773029366 1049538317 /nfs/dbraw/zinc/53/83/17/1049538317.db2.gz YVUOMJTUKSDUGM-GOSISDBHSA-N 1 0 349.478 4.278 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000610132344 1049556152 /nfs/dbraw/zinc/55/61/52/1049556152.db2.gz WCJWAANQCHPXDJ-UHFFFAOYSA-N 1 0 338.451 4.201 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(SC)c(F)c2)cc1C#N ZINC000773072607 1049562576 /nfs/dbraw/zinc/56/25/76/1049562576.db2.gz ARAWNLCLVJSSQR-GFCCVEGCSA-N 1 0 330.428 4.279 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000773081636 1049571361 /nfs/dbraw/zinc/57/13/61/1049571361.db2.gz FGZVYFKYWUKKPB-IBGZPJMESA-N 1 0 336.435 4.133 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC([C@H](O)c3ccc(OCC)cc3)CC2)cc1 ZINC000812776853 1049573318 /nfs/dbraw/zinc/57/33/18/1049573318.db2.gz QNNLNFGQSLQNHF-HSZRJFAPSA-N 1 0 349.474 4.012 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000237547534 1049574812 /nfs/dbraw/zinc/57/48/12/1049574812.db2.gz MCPYZBWEHGCWKO-GOSISDBHSA-N 1 0 339.870 4.136 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC)c1ccccc1 ZINC000773115734 1049587103 /nfs/dbraw/zinc/58/71/03/1049587103.db2.gz OMVSWHFRQFDYAV-MGPUTAFESA-N 1 0 336.435 4.069 20 30 EIEDRO C#C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1CC)c1ccc(F)cc1 ZINC000812793466 1049589354 /nfs/dbraw/zinc/58/93/54/1049589354.db2.gz VLKQVUPQYVLJAQ-HNAYVOBHSA-N 1 0 338.426 4.069 20 30 EIEDRO CC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853501 1049614040 /nfs/dbraw/zinc/61/40/40/1049614040.db2.gz RIHSHPGWXDIIBN-IFXJQAMLSA-N 1 0 328.843 4.156 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853861 1049616930 /nfs/dbraw/zinc/61/69/30/1049616930.db2.gz TWHLNGMQILVXHC-AUUYWEPGSA-N 1 0 328.843 4.156 20 30 EIEDRO N#CCC1(C[NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC001170689859 1049622110 /nfs/dbraw/zinc/62/21/10/1049622110.db2.gz ACWZOHYIZGKQCV-UHFFFAOYSA-N 1 0 338.373 4.458 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+]C(C)(C)c2cccc(C)c2)c(C#N)c1C ZINC000179594181 1049683525 /nfs/dbraw/zinc/68/35/25/1049683525.db2.gz UENCXNIHUBHDSU-UHFFFAOYSA-N 1 0 341.480 4.008 20 30 EIEDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1 ZINC000179727596 1049732768 /nfs/dbraw/zinc/73/27/68/1049732768.db2.gz IXYXARYCQVHKHQ-SZNDQCEHSA-N 1 0 334.419 4.131 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CC2(c3ccc(F)cc3)CC2)c1 ZINC000237741481 1049733754 /nfs/dbraw/zinc/73/37/54/1049733754.db2.gz CLUDPWFRHOEUTD-UHFFFAOYSA-N 1 0 338.426 4.330 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2ccc(Cl)s2)c1 ZINC000237737521 1049735145 /nfs/dbraw/zinc/73/51/45/1049735145.db2.gz VVSACEIHFXKIJA-UHFFFAOYSA-N 1 0 334.872 4.416 20 30 EIEDRO CC(C)([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccc(C#N)cc1 ZINC001171506049 1049740961 /nfs/dbraw/zinc/74/09/61/1049740961.db2.gz PIPXHDCIKPREGI-OAHLLOKOSA-N 1 0 344.380 4.358 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cc1Cl ZINC000813331744 1049753040 /nfs/dbraw/zinc/75/30/40/1049753040.db2.gz TWWWKWWELZCDFD-ZDUSSCGKSA-N 1 0 347.842 4.470 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@@H]1C(C)(C)C ZINC001171616500 1049766848 /nfs/dbraw/zinc/76/68/48/1049766848.db2.gz CHUNYMHVRIOQEH-JXXFODFXSA-N 1 0 349.519 4.036 20 30 EIEDRO C[C@@H]1C[C@@H](N(CCC#N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001171746602 1049789469 /nfs/dbraw/zinc/78/94/69/1049789469.db2.gz PSGRFUGDRKYUPI-DENIHFKCSA-N 1 0 333.479 4.065 20 30 EIEDRO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171823741 1049802666 /nfs/dbraw/zinc/80/26/66/1049802666.db2.gz HYVLUNLKDIZQMM-WNRNVDISSA-N 1 0 349.519 4.179 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2sccc2s1)C(C)C ZINC001136650239 1049811265 /nfs/dbraw/zinc/81/12/65/1049811265.db2.gz UNYPZZHFSSWZRT-AWEZNQCLSA-N 1 0 348.537 4.391 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Cc1ccc(C)c(Cl)c1)C(C)C ZINC001136650117 1049811678 /nfs/dbraw/zinc/81/16/78/1049811678.db2.gz QAAPPSWUBGZWFX-LJQANCHMSA-N 1 0 348.918 4.006 20 30 EIEDRO C#CC1([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CCCCC1 ZINC001171844013 1049812817 /nfs/dbraw/zinc/81/28/17/1049812817.db2.gz HMQGOWSSNRKCTK-QGZVFWFLSA-N 1 0 346.515 4.234 20 30 EIEDRO CCSc1cccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000813791009 1049817598 /nfs/dbraw/zinc/81/75/98/1049817598.db2.gz NWUZJJCIKPHZQT-HNNXBMFYSA-N 1 0 326.465 4.379 20 30 EIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000813858841 1049824233 /nfs/dbraw/zinc/82/42/33/1049824233.db2.gz CMEWEONWTHCUJZ-YWZLYKJASA-N 1 0 342.389 4.094 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001171961078 1049824244 /nfs/dbraw/zinc/82/42/44/1049824244.db2.gz PMOQFEJBTRILEF-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC001171006409 1049824916 /nfs/dbraw/zinc/82/49/16/1049824916.db2.gz FJJKSFVLASNTIJ-AWEZNQCLSA-N 1 0 346.833 4.444 20 30 EIEDRO CC1(C)C[C@@H](NC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001171973027 1049835759 /nfs/dbraw/zinc/83/57/59/1049835759.db2.gz VDVSTJQEISINLN-IBGZPJMESA-N 1 0 325.500 4.246 20 30 EIEDRO CC1(C)C[C@@H](NCc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC001171982486 1049838581 /nfs/dbraw/zinc/83/85/81/1049838581.db2.gz JAJFRXQDGKFMKA-KRWDZBQOSA-N 1 0 339.508 4.153 20 30 EIEDRO N#C[C@H](N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC001172064547 1049851682 /nfs/dbraw/zinc/85/16/82/1049851682.db2.gz HCKZMSMNWNSXET-GPJHCHHRSA-N 1 0 345.490 4.427 20 30 EIEDRO CC(C)C[C@@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066691 1049851811 /nfs/dbraw/zinc/85/18/11/1049851811.db2.gz CNENVHDBYOIORT-LRSLUSHPSA-N 1 0 339.527 4.490 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc3ccccc3c2)cc1 ZINC000238045591 1049859261 /nfs/dbraw/zinc/85/92/61/1049859261.db2.gz KLROFDQOUQWGKS-QHCPKHFHSA-N 1 0 345.442 4.065 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000823616594 1049863103 /nfs/dbraw/zinc/86/31/03/1049863103.db2.gz ATKOQWMFXMLYRQ-UGSOOPFHSA-N 1 0 348.368 4.303 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC ZINC000180207592 1049865297 /nfs/dbraw/zinc/86/52/97/1049865297.db2.gz VNGNJZCFKSSVLF-GOSISDBHSA-N 1 0 342.414 4.114 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC001172304110 1049873883 /nfs/dbraw/zinc/87/38/83/1049873883.db2.gz HCGKPXQFBYJSDW-CQSZACIVSA-N 1 0 335.382 4.073 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC001172307671 1049874422 /nfs/dbraw/zinc/87/44/22/1049874422.db2.gz QDWILILINGIHOB-SFHVURJKSA-N 1 0 334.463 4.170 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1ncccc1C(F)(F)F ZINC001172314682 1049875494 /nfs/dbraw/zinc/87/54/94/1049875494.db2.gz LEZMOXQTMBUFDK-ZDUSSCGKSA-N 1 0 333.357 4.035 20 30 EIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172312873 1049875639 /nfs/dbraw/zinc/87/56/39/1049875639.db2.gz KZJJNGAPSHZFAH-GCJKJVERSA-N 1 0 348.490 4.453 20 30 EIEDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312805 1049875833 /nfs/dbraw/zinc/87/58/33/1049875833.db2.gz JQRKIXBGPIRFJC-LAUBAEHRSA-N 1 0 334.463 4.473 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(Br)cs1 ZINC001172290968 1049880548 /nfs/dbraw/zinc/88/05/48/1049880548.db2.gz HBQIHBJBMKNVLG-LLVKDONJSA-N 1 0 335.270 4.103 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000823866840 1049882181 /nfs/dbraw/zinc/88/21/81/1049882181.db2.gz QEGWIGLYVQPJBK-HWOWSKLDSA-N 1 0 327.255 4.089 20 30 EIEDRO Cc1c(Br)cccc1C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172300292 1049882529 /nfs/dbraw/zinc/88/25/29/1049882529.db2.gz TVPHHCOEQXKVGZ-CYBMUJFWSA-N 1 0 343.268 4.350 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(Cc2ccccc2)CCOCC1 ZINC001172299690 1049882928 /nfs/dbraw/zinc/88/29/28/1049882928.db2.gz MYSOXXRTKFYQKM-LJQANCHMSA-N 1 0 348.490 4.118 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)[C@@H]2CC ZINC001172373453 1049883722 /nfs/dbraw/zinc/88/37/22/1049883722.db2.gz MPHWIZYYOOLQOZ-FKAKKMJLSA-N 1 0 332.532 4.233 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)[C@H]2CC ZINC001172373461 1049883765 /nfs/dbraw/zinc/88/37/65/1049883765.db2.gz MPHWIZYYOOLQOZ-KKKDIUQISA-N 1 0 332.532 4.233 20 30 EIEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172378972 1049885738 /nfs/dbraw/zinc/88/57/38/1049885738.db2.gz MXVPUQDRKBEXID-XYJFISCASA-N 1 0 342.483 4.235 20 30 EIEDRO CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC001171035447 1049886220 /nfs/dbraw/zinc/88/62/20/1049886220.db2.gz BIGSTFQZGDOFHT-SJCJKPOMSA-N 1 0 333.863 4.097 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001172346205 1049890128 /nfs/dbraw/zinc/89/01/28/1049890128.db2.gz HCGJNNZJTIYUNS-RBUKOAKNSA-N 1 0 332.532 4.454 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001172350040 1049890959 /nfs/dbraw/zinc/89/09/59/1049890959.db2.gz IPLQVCGVPHGWHS-RTBURBONSA-N 1 0 331.504 4.025 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]CC1CCN(c2cnccn2)CC1 ZINC001172352137 1049892288 /nfs/dbraw/zinc/89/22/88/1049892288.db2.gz YZXSRKKEPDSGPF-IBGZPJMESA-N 1 0 332.536 4.422 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001172354241 1049893493 /nfs/dbraw/zinc/89/34/93/1049893493.db2.gz FTJIZMKPWFMWQO-MOPGFXCFSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001172356512 1049893870 /nfs/dbraw/zinc/89/38/70/1049893870.db2.gz WJGMBKNFPIRYSK-CEXWTWQISA-N 1 0 346.515 4.423 20 30 EIEDRO CCCCCCC[C@H](CC)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001172355415 1049894119 /nfs/dbraw/zinc/89/41/19/1049894119.db2.gz BPEWUAMFVBMLKR-MOPGFXCFSA-N 1 0 334.552 4.016 20 30 EIEDRO CCCCCCC[C@@H](CC)N1CCn2c(COC(C)C)nnc2C1 ZINC001172359612 1049895336 /nfs/dbraw/zinc/89/53/36/1049895336.db2.gz YZMSYPFBDVXKHT-QGZVFWFLSA-N 1 0 336.524 4.158 20 30 EIEDRO CC[C@@H](C)OCC[C@@H](C)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001172362754 1049896033 /nfs/dbraw/zinc/89/60/33/1049896033.db2.gz XFNLBJZANDLYAD-IAGOWNOFSA-N 1 0 332.463 4.277 20 30 EIEDRO COCCS[C@@H](C[NH2+][C@H](C)CCCC#N)c1ccc(Cl)cc1 ZINC001172487444 1049911211 /nfs/dbraw/zinc/91/12/11/1049911211.db2.gz BFUWGBKFJQTYBP-PBHICJAKSA-N 1 0 340.920 4.433 20 30 EIEDRO CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)[C@@H](C)CCCC#N ZINC001172497526 1049921342 /nfs/dbraw/zinc/92/13/42/1049921342.db2.gz CLMAABNSWYRWON-HKUYNNGSSA-N 1 0 330.472 4.159 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CCc1ccc(CCC(=O)OC(C)(C)C)cc1 ZINC001172493144 1049921376 /nfs/dbraw/zinc/92/13/76/1049921376.db2.gz XGVYSNWHPUBUGX-QGZVFWFLSA-N 1 0 344.499 4.175 20 30 EIEDRO Cc1ccc(-c2noc(C3CC[NH+]([C@@H](C)CCCC#N)CC3)n2)cc1 ZINC001172500407 1049922639 /nfs/dbraw/zinc/92/26/39/1049922639.db2.gz NHEJIHVFRXRKJY-INIZCTEOSA-N 1 0 338.455 4.307 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+][C@H]1CC[C@H](NC(=O)COC)CC1 ZINC001172501497 1049922806 /nfs/dbraw/zinc/92/28/06/1049922806.db2.gz CVQNJFCQXAVQBB-FHWLQOOXSA-N 1 0 340.552 4.179 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@H]21 ZINC001172500840 1049922949 /nfs/dbraw/zinc/92/29/49/1049922949.db2.gz AXFLRJBYRWFVKS-JKSUJKDBSA-N 1 0 333.476 4.058 20 30 EIEDRO CCCCCCCC[C@H](CC)[N@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001172505520 1049923747 /nfs/dbraw/zinc/92/37/47/1049923747.db2.gz ONNDIMXWNVSUBM-MSOLQXFVSA-N 1 0 335.536 4.495 20 30 EIEDRO CCC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CCCC#N ZINC001172503345 1049924268 /nfs/dbraw/zinc/92/42/68/1049924268.db2.gz FMXMLAXIECFQGX-IAGOWNOFSA-N 1 0 337.508 4.038 20 30 EIEDRO C[C@H](CCc1c(F)cc(Cl)cc1F)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001172569240 1049938209 /nfs/dbraw/zinc/93/82/09/1049938209.db2.gz WXQYBFMGCFZAIR-LLVKDONJSA-N 1 0 347.796 4.216 20 30 EIEDRO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)CC(C)(C)C#N ZINC000840073144 1049940770 /nfs/dbraw/zinc/94/07/70/1049940770.db2.gz LMPOLZAXJLHLAY-UHFFFAOYSA-N 1 0 347.256 4.289 20 30 EIEDRO CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172645876 1049954740 /nfs/dbraw/zinc/95/47/40/1049954740.db2.gz PBHHUNIKNZMYGK-HLIPFELVSA-N 1 0 349.519 4.180 20 30 EIEDRO CC1(C)CC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC(C)(C)O1 ZINC001172655493 1049957094 /nfs/dbraw/zinc/95/70/94/1049957094.db2.gz YBRMPHKVJQTQCH-UHFFFAOYSA-N 1 0 326.484 4.280 20 30 EIEDRO CC1(C)CC([N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC(C)(C)O1 ZINC001172658935 1049958693 /nfs/dbraw/zinc/95/86/93/1049958693.db2.gz INRMZKZOEBZBGL-LJQANCHMSA-N 1 0 342.483 4.138 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1)c1ccccc1 ZINC001172681132 1049963784 /nfs/dbraw/zinc/96/37/84/1049963784.db2.gz YJUOUDPQDVCPPC-LEWJYISDSA-N 1 0 334.463 4.085 20 30 EIEDRO C=CCN1C(=O)CCC12CC[NH+](C1CCC3(CCCC3)CC1)CC2 ZINC001172726209 1049967210 /nfs/dbraw/zinc/96/72/10/1049967210.db2.gz LQEZLFSNSBLSOP-UHFFFAOYSA-N 1 0 330.516 4.132 20 30 EIEDRO C=CCOCc1ncn2c1C[N@@H+](C1CCC3(CCCC3)CC1)CCC2 ZINC001172725974 1049967230 /nfs/dbraw/zinc/96/72/30/1049967230.db2.gz JNUQTDSXGJQMLA-UHFFFAOYSA-N 1 0 343.515 4.294 20 30 EIEDRO C=CCOC(=O)N1CCC(C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC001172729436 1049969551 /nfs/dbraw/zinc/96/95/51/1049969551.db2.gz XAJJBOQHAFIILS-UHFFFAOYSA-N 1 0 334.504 4.114 20 30 EIEDRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000248326048 1050049753 /nfs/dbraw/zinc/04/97/53/1050049753.db2.gz BQOBZOZFKZJPKZ-HZPDHXFCSA-N 1 0 347.528 4.245 20 30 EIEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000248947849 1050085490 /nfs/dbraw/zinc/08/54/90/1050085490.db2.gz DQIBGNKMHDEENT-RUYXUALKSA-N 1 0 327.516 4.063 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc(-c2cccnc2)cc1 ZINC000181321911 1050096614 /nfs/dbraw/zinc/09/66/14/1050096614.db2.gz XIUGVLXDGCROKF-KRWDZBQOSA-N 1 0 343.430 4.350 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1 ZINC000181401760 1050116042 /nfs/dbraw/zinc/11/60/42/1050116042.db2.gz PZQPGIZMTUKCKC-AUUYWEPGSA-N 1 0 327.859 4.165 20 30 EIEDRO C=CCC[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000089728276 1050131093 /nfs/dbraw/zinc/13/10/93/1050131093.db2.gz FOOYFGTUZIVKEV-INIZCTEOSA-N 1 0 331.847 4.267 20 30 EIEDRO CC(C)[C@H](CNCc1ccc(C2(C#N)CC2)cc1)[NH+]1CCCCCC1 ZINC001177209306 1050161599 /nfs/dbraw/zinc/16/15/99/1050161599.db2.gz LQMZZXHRSCWIBV-NRFANRHFSA-N 1 0 339.527 4.232 20 30 EIEDRO Cc1ccc2c(c1)C[C@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)CC2 ZINC001172845643 1050184819 /nfs/dbraw/zinc/18/48/19/1050184819.db2.gz ZDPFVRDCZRCCOV-OAQYLSRUSA-N 1 0 346.474 4.267 20 30 EIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCOc1ccccc1C#N ZINC001172856857 1050194339 /nfs/dbraw/zinc/19/43/39/1050194339.db2.gz AEQLTZVGBPZPQK-AWEZNQCLSA-N 1 0 346.833 4.340 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3ccc(Cl)nc3C#N)cc2)CC1 ZINC001212687833 1050207450 /nfs/dbraw/zinc/20/74/50/1050207450.db2.gz PAPSGEJEUUMBSD-UHFFFAOYSA-N 1 0 326.831 4.159 20 30 EIEDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC001177524862 1050239332 /nfs/dbraw/zinc/23/93/32/1050239332.db2.gz JSJUQOYBIGBIOF-INIZCTEOSA-N 1 0 330.435 4.212 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3cccc(C#CC(C)(C)O)c3)cc2)CC1 ZINC001212691430 1050241602 /nfs/dbraw/zinc/24/16/02/1050241602.db2.gz QGQZCEAWTLQBHQ-UHFFFAOYSA-N 1 0 348.490 4.362 20 30 EIEDRO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001172943322 1050243417 /nfs/dbraw/zinc/24/34/17/1050243417.db2.gz FHOAKXWTAPKLBS-HNNXBMFYSA-N 1 0 345.487 4.028 20 30 EIEDRO Cc1ccccc1C[C@@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181603820 1050250614 /nfs/dbraw/zinc/25/06/14/1050250614.db2.gz RBMIQDIVOQVMIQ-LJQANCHMSA-N 1 0 347.506 4.052 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC001173090314 1050282519 /nfs/dbraw/zinc/28/25/19/1050282519.db2.gz KGMPXNCDODBBCB-LLVKDONJSA-N 1 0 340.370 4.239 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000181718221 1050308922 /nfs/dbraw/zinc/30/89/22/1050308922.db2.gz XYJDYGAEJUEXBS-OAHLLOKOSA-N 1 0 338.451 4.204 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)cc1 ZINC000763498925 1050313945 /nfs/dbraw/zinc/31/39/45/1050313945.db2.gz FZXZZINJZYNNJP-VXKWHMMOSA-N 1 0 332.447 4.134 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000618283291 1050328102 /nfs/dbraw/zinc/32/81/02/1050328102.db2.gz FZSDUFJBPIOOLM-PHIMTYICSA-N 1 0 330.316 4.379 20 30 EIEDRO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000618284595 1050329163 /nfs/dbraw/zinc/32/91/63/1050329163.db2.gz YXMUCJRGJUHDNV-LJQANCHMSA-N 1 0 327.516 4.303 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc1OC ZINC000069752707 1050329589 /nfs/dbraw/zinc/32/95/89/1050329589.db2.gz MFCSSZKUBILNEM-RHSMWYFYSA-N 1 0 327.424 4.266 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181772846 1050333017 /nfs/dbraw/zinc/33/30/17/1050333017.db2.gz MXFCPPSCFJOLRA-IEZWGBDMSA-N 1 0 330.472 4.081 20 30 EIEDRO Cc1cccc([C@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181801271 1050334474 /nfs/dbraw/zinc/33/44/74/1050334474.db2.gz BWCMCHPPZVRHQZ-LJQANCHMSA-N 1 0 347.506 4.224 20 30 EIEDRO CC[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181796158 1050335353 /nfs/dbraw/zinc/33/53/53/1050335353.db2.gz YSWVORDQJXYQLR-LAUBAEHRSA-N 1 0 325.500 4.081 20 30 EIEDRO C[NH+]1CCN(c2cccc(Nc3sc4ccccc4c3C#N)c2)CC1 ZINC001212711641 1050341214 /nfs/dbraw/zinc/34/12/14/1050341214.db2.gz KYEADHKUMPFIIT-UHFFFAOYSA-N 1 0 348.475 4.268 20 30 EIEDRO C[NH+]1CCN(c2cccc(Nc3c(C#N)ccc4ccccc43)c2)CC1 ZINC001212713983 1050354661 /nfs/dbraw/zinc/35/46/61/1050354661.db2.gz XZJRMHVZGNNIRJ-UHFFFAOYSA-N 1 0 342.446 4.207 20 30 EIEDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(C#N)c1)Oc1cccc(Cl)c1 ZINC001177976839 1050359334 /nfs/dbraw/zinc/35/93/34/1050359334.db2.gz IUXBXNKXQMCUCF-QGZVFWFLSA-N 1 0 344.842 4.167 20 30 EIEDRO CC1(C)CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181891213 1050368827 /nfs/dbraw/zinc/36/88/27/1050368827.db2.gz KNCBUKMYXUHGAW-FQEVSTJZSA-N 1 0 325.500 4.081 20 30 EIEDRO C[C@H](CC(c1ccccc1)c1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC001173209832 1050370014 /nfs/dbraw/zinc/37/00/14/1050370014.db2.gz JCJJVTIXYCFFPH-HXUWFJFHSA-N 1 0 347.506 4.128 20 30 EIEDRO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)c(Br)c1 ZINC001236856286 1050380809 /nfs/dbraw/zinc/38/08/09/1050380809.db2.gz QPFMZMIDLZFGQQ-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC001204210783 1050395170 /nfs/dbraw/zinc/39/51/70/1050395170.db2.gz HGUYCNXXYGKKOG-UHFFFAOYSA-N 1 0 326.390 4.291 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2ccc(Br)cc2)CC1 ZINC001173310936 1050404450 /nfs/dbraw/zinc/40/44/50/1050404450.db2.gz AYXQHQVWIOKVES-UHFFFAOYSA-N 1 0 338.289 4.095 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cc2c(cc1OC)OCO2)c1ccccc1 ZINC001178249705 1050410457 /nfs/dbraw/zinc/41/04/57/1050410457.db2.gz RYNHQWWTSFVZQJ-QGZVFWFLSA-N 1 0 325.408 4.221 20 30 EIEDRO C=CCOC1CCC([N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001173321353 1050414828 /nfs/dbraw/zinc/41/48/28/1050414828.db2.gz JHLZHZGKTIXAGH-ONZKCSKKSA-N 1 0 342.527 4.095 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000618568447 1050415164 /nfs/dbraw/zinc/41/51/64/1050415164.db2.gz UAJZEDZFTXQSQB-YRNRMSPPSA-N 1 0 348.450 4.067 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000618561724 1050416245 /nfs/dbraw/zinc/41/62/45/1050416245.db2.gz WNXPJSSAILXBMU-MDZRGWNJSA-N 1 0 331.891 4.149 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCO[C@@](C)(c3ccc(Cl)cc3)C2)CC1 ZINC001173326901 1050418443 /nfs/dbraw/zinc/41/84/43/1050418443.db2.gz UKXKSGNNYPXPQY-SOAGJPPSSA-N 1 0 349.902 4.401 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)C1 ZINC000618570457 1050418502 /nfs/dbraw/zinc/41/85/02/1050418502.db2.gz CNVXAXDAQADTHF-UTKZUKDTSA-N 1 0 332.447 4.460 20 30 EIEDRO N#CCC1CCC([NH2+]CCc2cc(C(F)(F)F)ccc2F)CC1 ZINC001173328451 1050419608 /nfs/dbraw/zinc/41/96/08/1050419608.db2.gz ADTPGEOKRYIVOV-UHFFFAOYSA-N 1 0 328.353 4.449 20 30 EIEDRO COc1cccc(C[NH2+]C2CCC(CC#N)CC2)c1C(F)(F)F ZINC001173329405 1050420874 /nfs/dbraw/zinc/42/08/74/1050420874.db2.gz HJFXARXPWLARBP-UHFFFAOYSA-N 1 0 326.362 4.276 20 30 EIEDRO COc1ccc(OC(F)(F)F)cc1C[NH2+]C1CCC(CC#N)CC1 ZINC001173330034 1050420922 /nfs/dbraw/zinc/42/09/22/1050420922.db2.gz RXQVFCDVEOCWPD-UHFFFAOYSA-N 1 0 342.361 4.156 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173330509 1050420953 /nfs/dbraw/zinc/42/09/53/1050420953.db2.gz RSCTTXPJCGTPHV-TZDAIYRESA-N 1 0 327.255 4.089 20 30 EIEDRO COc1cccc(C(=O)C2CC[NH+](C3CCC(CC#N)CC3)CC2)c1 ZINC001173330957 1050421758 /nfs/dbraw/zinc/42/17/58/1050421758.db2.gz IFSNOUCFQQCJOL-UHFFFAOYSA-N 1 0 340.467 4.062 20 30 EIEDRO COc1cc(C[NH2+]C2CCC(CC#N)CC2)ccc1Br ZINC001173332467 1050422241 /nfs/dbraw/zinc/42/22/41/1050422241.db2.gz LQPOHIHJGXEHMS-UHFFFAOYSA-N 1 0 337.261 4.020 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000618577526 1050425741 /nfs/dbraw/zinc/42/57/41/1050425741.db2.gz KVRDHYXRSOESTQ-VHDGCEQUSA-N 1 0 338.282 4.244 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC001173314847 1050438600 /nfs/dbraw/zinc/43/86/00/1050438600.db2.gz WHFGSACENGVDND-LRVUVFPRSA-N 1 0 339.277 4.009 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(OC)c3ccccc23)CC1 ZINC001173316981 1050439055 /nfs/dbraw/zinc/43/90/55/1050439055.db2.gz QHRAUIOEAZRVJR-UHFFFAOYSA-N 1 0 325.452 4.452 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2c(F)cccc2C(F)(F)F)CC1 ZINC001173315711 1050440010 /nfs/dbraw/zinc/44/00/10/1050440010.db2.gz QEUDPFJYRVQPLI-UHFFFAOYSA-N 1 0 331.353 4.448 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001173315708 1050440103 /nfs/dbraw/zinc/44/01/03/1050440103.db2.gz QANAOXMXAXBMOX-UHFFFAOYSA-N 1 0 331.353 4.448 20 30 EIEDRO C=CCOC1CCC(n2c3ccccc3nc2C2CC[NH2+]CC2)CC1 ZINC001173319857 1050441627 /nfs/dbraw/zinc/44/16/27/1050441627.db2.gz YSIGCIMVLDINOI-UHFFFAOYSA-N 1 0 339.483 4.190 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1OC ZINC000775063117 1050442927 /nfs/dbraw/zinc/44/29/27/1050442927.db2.gz GIBPXNQBVZDJSU-MRXNPFEDSA-N 1 0 346.377 4.409 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1OC ZINC000775083094 1050474337 /nfs/dbraw/zinc/47/43/37/1050474337.db2.gz CZCXJCDYRHSLIX-QGZVFWFLSA-N 1 0 344.842 4.492 20 30 EIEDRO C=CC[C@@H]([NH2+]C1CCC2(C[C@@H]2C(=O)OCC)CC1)c1ccccc1 ZINC001173614270 1050490747 /nfs/dbraw/zinc/49/07/47/1050490747.db2.gz SAJNQEHEBOBJKZ-XTBIFASLSA-N 1 0 327.468 4.405 20 30 EIEDRO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]Cc1ncc(C#N)s1 ZINC001173552846 1050491336 /nfs/dbraw/zinc/49/13/36/1050491336.db2.gz WJNGXDDGLQGUSC-JTQLQIEISA-N 1 0 340.279 4.432 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC001173586811 1050493173 /nfs/dbraw/zinc/49/31/73/1050493173.db2.gz HMOFNDOLHGDAFB-WIHSUSGWSA-N 1 0 333.273 4.498 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@H]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588359 1050494134 /nfs/dbraw/zinc/49/41/34/1050494134.db2.gz BVRAPOCFLVPIBE-GNZRSQJKSA-N 1 0 349.519 4.228 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC001173589083 1050495473 /nfs/dbraw/zinc/49/54/73/1050495473.db2.gz VEXSFNVHHDBLDX-AJPWXKBRSA-N 1 0 330.447 4.355 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173592542 1050496660 /nfs/dbraw/zinc/49/66/60/1050496660.db2.gz SNPBUEWBGLHAAJ-UHFFFAOYSA-N 1 0 331.891 4.243 20 30 EIEDRO CCC[C@@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173592982 1050497088 /nfs/dbraw/zinc/49/70/88/1050497088.db2.gz FZRDPDYOSZEIHU-GQOXECLESA-N 1 0 349.519 4.228 20 30 EIEDRO CC(C)(C)OC(=O)NCCC1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173594299 1050497735 /nfs/dbraw/zinc/49/77/35/1050497735.db2.gz YOKRCGBSQHVYNY-UHFFFAOYSA-N 1 0 349.519 4.086 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741338 1050501692 /nfs/dbraw/zinc/50/16/92/1050501692.db2.gz FBVGVYOUNATJNH-NRFANRHFSA-N 1 0 331.419 4.018 20 30 EIEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1 ZINC001178590201 1050501617 /nfs/dbraw/zinc/50/16/17/1050501617.db2.gz ZOYLCNQPJRDOMR-OAQYLSRUSA-N 1 0 339.479 4.217 20 30 EIEDRO CC(C)[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173601010 1050501865 /nfs/dbraw/zinc/50/18/65/1050501865.db2.gz NJFDCENMAFJXJJ-OHTSDLOESA-N 1 0 349.519 4.179 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)ccc1OC(C)C ZINC000618742141 1050504013 /nfs/dbraw/zinc/50/40/13/1050504013.db2.gz JZRRHNZADFCPJF-LJQANCHMSA-N 1 0 336.435 4.131 20 30 EIEDRO COc1cc(F)c([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618806929 1050536063 /nfs/dbraw/zinc/53/60/63/1050536063.db2.gz SLCRKOBQBVATDD-SGTLLEGYSA-N 1 0 340.398 4.053 20 30 EIEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618807163 1050536945 /nfs/dbraw/zinc/53/69/45/1050536945.db2.gz SUVVUELKMNYJFV-KUHUBIRLSA-N 1 0 335.407 4.065 20 30 EIEDRO COC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000618807026 1050537226 /nfs/dbraw/zinc/53/72/26/1050537226.db2.gz UYBWKADTMKIVBT-RTBURBONSA-N 1 0 326.827 4.176 20 30 EIEDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618807164 1050537402 /nfs/dbraw/zinc/53/74/02/1050537402.db2.gz SUVVUELKMNYJFV-LIRRHRJNSA-N 1 0 335.407 4.065 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618831480 1050545936 /nfs/dbraw/zinc/54/59/36/1050545936.db2.gz UBQGJAFUEQFYGQ-JLTOFOAXSA-N 1 0 338.426 4.162 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)cc1 ZINC001178758719 1050545975 /nfs/dbraw/zinc/54/59/75/1050545975.db2.gz GGBOQGMDWTVACT-UHFFFAOYSA-N 1 0 334.644 4.374 20 30 EIEDRO N#CC1(C[NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CCC1 ZINC001173700258 1050546821 /nfs/dbraw/zinc/54/68/21/1050546821.db2.gz GWSJGAWHLNTAOT-NRFANRHFSA-N 1 0 346.474 4.406 20 30 EIEDRO CC(C)(S)C[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173708250 1050549822 /nfs/dbraw/zinc/54/98/22/1050549822.db2.gz PGPAZECNPWHIIO-LJQANCHMSA-N 1 0 341.520 4.421 20 30 EIEDRO C#Cc1cccc(C[NH2+]C2CCC(c3ccc(OC(C)=O)cc3)CC2)c1 ZINC001173783554 1050568710 /nfs/dbraw/zinc/56/87/10/1050568710.db2.gz BTWMTMMBOGPICR-UHFFFAOYSA-N 1 0 347.458 4.409 20 30 EIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC001178851975 1050570953 /nfs/dbraw/zinc/57/09/53/1050570953.db2.gz PQDVJKGINMIJSO-SFHVURJKSA-N 1 0 341.499 4.406 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([N@@H+]3CCC[C@@H](CC#N)C3)CC2)cc1 ZINC001173790017 1050572204 /nfs/dbraw/zinc/57/22/04/1050572204.db2.gz ZWEXMNWYDOXGMA-ZJRDLVKKSA-N 1 0 340.467 4.264 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH2+]C3(CC#N)CCCC3)CC2)cc1 ZINC001173793166 1050574080 /nfs/dbraw/zinc/57/40/80/1050574080.db2.gz QVCCWOKBMQLSHQ-UHFFFAOYSA-N 1 0 340.467 4.454 20 30 EIEDRO CC(C)(C)C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000775132698 1050578814 /nfs/dbraw/zinc/57/88/14/1050578814.db2.gz AYQFIUMTXKSEDQ-PMACEKPBSA-N 1 0 340.442 4.498 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC001178939825 1050593660 /nfs/dbraw/zinc/59/36/60/1050593660.db2.gz UZEMHTDHKGMNKX-KRWDZBQOSA-N 1 0 325.843 4.265 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(C)c1OCc1ccccc1 ZINC001178985034 1050605637 /nfs/dbraw/zinc/60/56/37/1050605637.db2.gz RQBOTEDFLNBEDW-UHFFFAOYSA-N 1 0 338.451 4.020 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1cc(Br)cc(C#N)c1 ZINC001173930900 1050651757 /nfs/dbraw/zinc/65/17/57/1050651757.db2.gz BEWUDGCEJIWAEC-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO CCCC[C@H](CC)C[N@H+]1CC[C@H]2CN(C(=O)CCCC#N)C[C@H]2CC1 ZINC001273551380 1050663595 /nfs/dbraw/zinc/66/35/95/1050663595.db2.gz LUOHOCTXCGEXFI-SLFFLAALSA-N 1 0 347.547 4.067 20 30 EIEDRO CC[C@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccccc3C#N)CC2)C1 ZINC001179304795 1050667261 /nfs/dbraw/zinc/66/72/61/1050667261.db2.gz TXCJDOWVHMNWLW-ZWKOTPCHSA-N 1 0 325.500 4.333 20 30 EIEDRO CSc1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)cc1C#N ZINC001203672568 1050668462 /nfs/dbraw/zinc/66/84/62/1050668462.db2.gz QNJJCEXZCRTGRZ-UHFFFAOYSA-N 1 0 341.461 4.286 20 30 EIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000775155326 1050669313 /nfs/dbraw/zinc/66/93/13/1050669313.db2.gz XOKALZIQSCQXEM-ZDUSSCGKSA-N 1 0 342.277 4.289 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cc1Cl ZINC001179426459 1050698152 /nfs/dbraw/zinc/69/81/52/1050698152.db2.gz YDALDMKIXTVYQY-GOSISDBHSA-N 1 0 335.875 4.486 20 30 EIEDRO C[C@H](CC#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC001179479971 1050703291 /nfs/dbraw/zinc/70/32/91/1050703291.db2.gz YXXJHDIJDOAIQO-KBAYOESNSA-N 1 0 343.471 4.019 20 30 EIEDRO C[C@H](CC#N)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC001179479973 1050704270 /nfs/dbraw/zinc/70/42/70/1050704270.db2.gz YXXJHDIJDOAIQO-NXHRZFHOSA-N 1 0 343.471 4.019 20 30 EIEDRO Fc1ccc(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1C(F)(F)F ZINC001179570243 1050719635 /nfs/dbraw/zinc/71/96/35/1050719635.db2.gz CXQROJMIGJOTAI-JOYOIKCWSA-N 1 0 345.258 4.044 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21)c1cccc(C#N)c1 ZINC000619465699 1050790320 /nfs/dbraw/zinc/79/03/20/1050790320.db2.gz NLXGNFWZYZGGKB-KKSFZXQISA-N 1 0 342.446 4.472 20 30 EIEDRO COc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1Cl ZINC001174151939 1050791426 /nfs/dbraw/zinc/79/14/26/1050791426.db2.gz RVPUENJNODXDHI-UHFFFAOYSA-N 1 0 333.844 4.013 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1OCCc2ccccc21 ZINC000619508477 1050794851 /nfs/dbraw/zinc/79/48/51/1050794851.db2.gz ZRVLCPYLOIMSKI-FCHUYYIVSA-N 1 0 332.447 4.229 20 30 EIEDRO CC(C)Oc1ncccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508197 1050797228 /nfs/dbraw/zinc/79/72/28/1050797228.db2.gz LRTVKDXPRKBDRX-HXUWFJFHSA-N 1 0 335.451 4.298 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000619508554 1050798112 /nfs/dbraw/zinc/79/81/12/1050798112.db2.gz LBJDMXJHTLVHII-LJQANCHMSA-N 1 0 346.430 4.333 20 30 EIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000619526336 1050803710 /nfs/dbraw/zinc/80/37/10/1050803710.db2.gz VLBVKKJIOOEJSZ-INIZCTEOSA-N 1 0 333.435 4.283 20 30 EIEDRO COc1ccc(C[NH2+]CCSCc2ccccc2C#N)c(Cl)c1 ZINC000619573081 1050818169 /nfs/dbraw/zinc/81/81/69/1050818169.db2.gz KOODQGHCXNHKQH-UHFFFAOYSA-N 1 0 346.883 4.243 20 30 EIEDRO COc1cc(C[NH2+]C2CC(c3cccc(Cl)c3)C2)ccc1C#N ZINC000619654030 1050847292 /nfs/dbraw/zinc/84/72/92/1050847292.db2.gz CPKNIUGQORITSV-UHFFFAOYSA-N 1 0 326.827 4.256 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000619672158 1050851343 /nfs/dbraw/zinc/85/13/43/1050851343.db2.gz VNACSZCONKPPNI-RCWTZXSCSA-N 1 0 328.300 4.178 20 30 EIEDRO C#CC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)C1CCCCC1 ZINC001180029871 1050858370 /nfs/dbraw/zinc/85/83/70/1050858370.db2.gz GSCZOHSZIWEBHG-KRWDZBQOSA-N 1 0 336.520 4.051 20 30 EIEDRO CC(C)CC1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000152892916 1050879057 /nfs/dbraw/zinc/87/90/57/1050879057.db2.gz MEGOCFHEAHUMAJ-UHFFFAOYSA-N 1 0 336.483 4.380 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619755376 1050882986 /nfs/dbraw/zinc/88/29/86/1050882986.db2.gz GPWJARXFMIDVGP-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1Cl ZINC000619755101 1050884549 /nfs/dbraw/zinc/88/45/49/1050884549.db2.gz TWJAHQHYGQGYEF-KRWDZBQOSA-N 1 0 330.790 4.354 20 30 EIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755885 1050884997 /nfs/dbraw/zinc/88/49/97/1050884997.db2.gz XLOWKFXNPPUHAU-YWZLYKJASA-N 1 0 345.918 4.344 20 30 EIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619748257 1050893856 /nfs/dbraw/zinc/89/38/56/1050893856.db2.gz DXSQADVIIFTLPJ-UHFFFAOYSA-N 1 0 344.842 4.299 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(-c3ccncc3)s2)cc1Cl ZINC000619748304 1050894859 /nfs/dbraw/zinc/89/48/59/1050894859.db2.gz HEWYURYMLKBYIP-UHFFFAOYSA-N 1 0 340.839 4.020 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1Cl ZINC000619749111 1050895517 /nfs/dbraw/zinc/89/55/17/1050895517.db2.gz KYNMPXHVACOLFA-QAPCUYQASA-N 1 0 325.843 4.423 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619748959 1050895980 /nfs/dbraw/zinc/89/59/80/1050895980.db2.gz UIIPILXHIFEOLY-UHFFFAOYSA-N 1 0 342.826 4.075 20 30 EIEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@@H]([NH2+]C(C)C)C3)c2c1 ZINC000619792284 1050918944 /nfs/dbraw/zinc/91/89/44/1050918944.db2.gz ZRCAFLOBMPBORK-OAHLLOKOSA-N 1 0 342.874 4.035 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CC[C@H]([NH+](C)C)CC2)c1 ZINC001189281455 1050943652 /nfs/dbraw/zinc/94/36/52/1050943652.db2.gz IJYBSXKZOOSXFD-WGSAOQKQSA-N 1 0 343.515 4.127 20 30 EIEDRO C[C@@H](CCC#N)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC001180372502 1050982570 /nfs/dbraw/zinc/98/25/70/1050982570.db2.gz TULDECJFXPYFIO-FQEVSTJZSA-N 1 0 347.506 4.333 20 30 EIEDRO C=CC[C@@H]([NH2+]Cc1cccc(Br)c1OC)c1ccncc1 ZINC000775309812 1051054504 /nfs/dbraw/zinc/05/45/04/1051054504.db2.gz FBYAQQQCIVJSKK-MRXNPFEDSA-N 1 0 347.256 4.260 20 30 EIEDRO C=CCC(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620196055 1051057598 /nfs/dbraw/zinc/05/75/98/1051057598.db2.gz LILPYUAGXJTJGE-IBGZPJMESA-N 1 0 340.511 4.007 20 30 EIEDRO C=CCC1([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CCCC1 ZINC001174593059 1051075105 /nfs/dbraw/zinc/07/51/05/1051075105.db2.gz DKQNMFVSHRJBKJ-UHFFFAOYSA-N 1 0 331.847 4.411 20 30 EIEDRO C=CC(C)(C)CC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001203235120 1051083985 /nfs/dbraw/zinc/08/39/85/1051083985.db2.gz NBQLEZUGVBWJQI-UHFFFAOYSA-N 1 0 327.222 4.049 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001180950369 1051119499 /nfs/dbraw/zinc/11/94/99/1051119499.db2.gz AQFGEWBPZZWZOI-DZGCQCFKSA-N 1 0 340.389 4.145 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1O ZINC000775361194 1051128491 /nfs/dbraw/zinc/12/84/91/1051128491.db2.gz BEVASUSDRCZVQK-HNNXBMFYSA-N 1 0 340.467 4.046 20 30 EIEDRO C=C(C)Cc1ccc(C(=O)N(C2CCCC2)C2CC[NH+](C)CC2)cc1 ZINC001190224217 1051133371 /nfs/dbraw/zinc/13/33/71/1051133371.db2.gz IGFBUMJAMMOKNK-UHFFFAOYSA-N 1 0 340.511 4.284 20 30 EIEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758109 1051180515 /nfs/dbraw/zinc/18/05/15/1051180515.db2.gz ACFFQVHIWPSNMU-RHSMWYFYSA-N 1 0 340.389 4.031 20 30 EIEDRO C[NH+]1CCN(c2ccc(Nc3c(C#N)ccc4ccccc43)cc2)CC1 ZINC001174814631 1051182204 /nfs/dbraw/zinc/18/22/04/1051182204.db2.gz JIWPKEXGGXMYHF-UHFFFAOYSA-N 1 0 342.446 4.207 20 30 EIEDRO CC(C)[PH+](CCNC(=O)C(C)(C)Oc1ccc(C#N)cc1)C(C)C ZINC001181206991 1051185781 /nfs/dbraw/zinc/18/57/81/1051185781.db2.gz JASQYYJLIJSRDO-UHFFFAOYSA-N 1 0 348.427 4.131 20 30 EIEDRO C#CC[N@@H+](CC/C=C\c1cncc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001190529550 1051206633 /nfs/dbraw/zinc/20/66/33/1051206633.db2.gz SQEZGRHFUMKFKJ-IOOHMRRSSA-N 1 0 332.447 4.116 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCSc1nccs1 ZINC000775396778 1051210702 /nfs/dbraw/zinc/21/07/02/1051210702.db2.gz XAMDXTTYNLRBFO-MRXNPFEDSA-N 1 0 329.494 4.164 20 30 EIEDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775399276 1051223709 /nfs/dbraw/zinc/22/37/09/1051223709.db2.gz FNWONIQPGOOJQG-FSPWUOQZSA-N 1 0 326.465 4.099 20 30 EIEDRO C#CCCCCCC[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC001190582092 1051225856 /nfs/dbraw/zinc/22/58/56/1051225856.db2.gz OPZIPITXVQMTNU-UHFFFAOYSA-N 1 0 347.572 4.142 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000775400338 1051228028 /nfs/dbraw/zinc/22/80/28/1051228028.db2.gz ZFCQULXBECMOIN-MRXNPFEDSA-N 1 0 347.245 4.286 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H](O)c1ccc(Cl)cc1 ZINC001174925678 1051253086 /nfs/dbraw/zinc/25/30/86/1051253086.db2.gz XBVILGLHZYILSY-RTBURBONSA-N 1 0 346.833 4.199 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000775404474 1051258825 /nfs/dbraw/zinc/25/88/25/1051258825.db2.gz OOULNZQQDDSMJH-KRWDZBQOSA-N 1 0 347.245 4.286 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190943460 1051306677 /nfs/dbraw/zinc/30/66/77/1051306677.db2.gz YVQXSCUFHCHJSA-IBGZPJMESA-N 1 0 347.462 4.237 20 30 EIEDRO CCC[N@H+](CCc1cccc(F)c1)Cc1ccc(C#N)cc1OC ZINC001190944965 1051307283 /nfs/dbraw/zinc/30/72/83/1051307283.db2.gz WRMURUOAMYUTNT-UHFFFAOYSA-N 1 0 326.415 4.161 20 30 EIEDRO C=CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CCCCC1 ZINC001190986140 1051319845 /nfs/dbraw/zinc/31/98/45/1051319845.db2.gz VUETXMPHCPHOSC-UHFFFAOYSA-N 1 0 336.407 4.311 20 30 EIEDRO C=CCCCCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001175103473 1051351922 /nfs/dbraw/zinc/35/19/22/1051351922.db2.gz KNALAXWGRWPLOC-IAGOWNOFSA-N 1 0 338.289 4.303 20 30 EIEDRO CC[C@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC001191122402 1051358893 /nfs/dbraw/zinc/35/88/93/1051358893.db2.gz QCRITJYCDNYNEZ-IBGZPJMESA-N 1 0 341.499 4.205 20 30 EIEDRO C#C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccc(Br)cc1 ZINC001182030890 1051373927 /nfs/dbraw/zinc/37/39/27/1051373927.db2.gz DLZNGMFVYINEFE-PQUAAJSLSA-N 1 0 348.284 4.061 20 30 EIEDRO C#C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC001182020939 1051384480 /nfs/dbraw/zinc/38/44/80/1051384480.db2.gz QTSJZPHLQFOKCT-VXKWHMMOSA-N 1 0 348.465 4.287 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000774139185 1051460423 /nfs/dbraw/zinc/46/04/23/1051460423.db2.gz OZJAVGYMRDIMBY-HTAPYJJXSA-N 1 0 349.478 4.197 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)cc1 ZINC000774133786 1051476523 /nfs/dbraw/zinc/47/65/23/1051476523.db2.gz WRWCOYPJRJRDBG-KUHUBIRLSA-N 1 0 333.435 4.245 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)cs1 ZINC001182310446 1051488144 /nfs/dbraw/zinc/48/81/44/1051488144.db2.gz YCAZMZBVGDAXDQ-UHFFFAOYSA-N 1 0 332.419 4.353 20 30 EIEDRO C=CC(C)(C)CC(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001175263149 1051501985 /nfs/dbraw/zinc/50/19/85/1051501985.db2.gz BUESVLAEFLQZHA-LJQANCHMSA-N 1 0 328.500 4.102 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC001191646449 1051508502 /nfs/dbraw/zinc/50/85/02/1051508502.db2.gz NGMFEEYLUBEXKN-QFIPXVFZSA-N 1 0 344.458 4.148 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000774241241 1051513371 /nfs/dbraw/zinc/51/33/71/1051513371.db2.gz BBVGNEAFDUCQAJ-CTNGQTDRSA-N 1 0 333.435 4.480 20 30 EIEDRO CC[C@H]([NH2+][C@@H](CC)[C@@H](O)c1c(F)cccc1F)c1ccc(C#N)cc1 ZINC000774254936 1051527331 /nfs/dbraw/zinc/52/73/31/1051527331.db2.gz AJZKEMCBOJDTRJ-CMKODMSKSA-N 1 0 344.405 4.389 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000774264769 1051533953 /nfs/dbraw/zinc/53/39/53/1051533953.db2.gz BSUOXWNKEBQTAB-ROUUACIJSA-N 1 0 332.806 4.125 20 30 EIEDRO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC001175418120 1051581315 /nfs/dbraw/zinc/58/13/15/1051581315.db2.gz FKWHZNTXGZIIKF-IBGZPJMESA-N 1 0 343.833 4.343 20 30 EIEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC001192108123 1051633010 /nfs/dbraw/zinc/63/30/10/1051633010.db2.gz QYGNWEJQPRWZGM-OAQYLSRUSA-N 1 0 349.478 4.230 20 30 EIEDRO N#Cc1c(F)cc(F)cc1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175507889 1051642366 /nfs/dbraw/zinc/64/23/66/1051642366.db2.gz XUKSKEPYZWFXBD-UHFFFAOYSA-N 1 0 325.362 4.038 20 30 EIEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001192172327 1051644292 /nfs/dbraw/zinc/64/42/92/1051644292.db2.gz BGMWAEDQKIBEAG-RDTXWAMCSA-N 1 0 347.890 4.441 20 30 EIEDRO C=CCC(C)(C)C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001182679051 1051664976 /nfs/dbraw/zinc/66/49/76/1051664976.db2.gz VAEWSNPAXWCPFW-PKOBYXMFSA-N 1 0 330.516 4.470 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001175580206 1051675882 /nfs/dbraw/zinc/67/58/82/1051675882.db2.gz XBUHVBZPVHVEOD-OALUTQOASA-N 1 0 348.531 4.292 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(Cl)ccc1O ZINC000775519700 1051685557 /nfs/dbraw/zinc/68/55/57/1051685557.db2.gz QITMBVQITLSGEX-QGZVFWFLSA-N 1 0 330.815 4.189 20 30 EIEDRO CC1(C)CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCC2)[C@H](c2ccccc2)C1 ZINC001175610894 1051698614 /nfs/dbraw/zinc/69/86/14/1051698614.db2.gz IRTCVHGDOFFAKO-AABGKKOBSA-N 1 0 340.511 4.383 20 30 EIEDRO CC1(C)CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCC2)[C@@H](c2ccccc2)C1 ZINC001175610897 1051699202 /nfs/dbraw/zinc/69/92/02/1051699202.db2.gz IRTCVHGDOFFAKO-ZCNNSNEGSA-N 1 0 340.511 4.383 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC001182844603 1051714473 /nfs/dbraw/zinc/71/44/73/1051714473.db2.gz MVTGMOIXFACRFH-FRQCXROJSA-N 1 0 330.472 4.137 20 30 EIEDRO C=C(C)c1ccccc1Nc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC001175825715 1051806310 /nfs/dbraw/zinc/80/63/10/1051806310.db2.gz RIZZIPZLCSQKFB-UHFFFAOYSA-N 1 0 337.467 4.145 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC001192833783 1051816419 /nfs/dbraw/zinc/81/64/19/1051816419.db2.gz MCNGKCRQEOCHJT-CYBMUJFWSA-N 1 0 332.806 4.470 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC001192790701 1051817995 /nfs/dbraw/zinc/81/79/95/1051817995.db2.gz BRNLHQDWAWBFRT-HXUWFJFHSA-N 1 0 334.463 4.277 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC001183292704 1051821003 /nfs/dbraw/zinc/82/10/03/1051821003.db2.gz SNWVRZSBRBJFHP-HKBOAZHASA-N 1 0 325.500 4.103 20 30 EIEDRO N#CCC[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775553871 1051833608 /nfs/dbraw/zinc/83/36/08/1051833608.db2.gz RSZPFXNUBDLZFB-ZWKOTPCHSA-N 1 0 348.368 4.373 20 30 EIEDRO CC[C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC001183378859 1051840613 /nfs/dbraw/zinc/84/06/13/1051840613.db2.gz GUVGWUAZTQKXQY-IAGOWNOFSA-N 1 0 329.463 4.036 20 30 EIEDRO C[C@@H]1CCC[C@H](C2C[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)C1 ZINC001183443826 1051844490 /nfs/dbraw/zinc/84/44/90/1051844490.db2.gz JXLXXHLDAONQRU-APWZRJJASA-N 1 0 348.494 4.217 20 30 EIEDRO COc1ccccc1[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC001183481689 1051850359 /nfs/dbraw/zinc/85/03/59/1051850359.db2.gz HJEULEGHVNVCHE-MRXNPFEDSA-N 1 0 338.426 4.476 20 30 EIEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001193066223 1051860248 /nfs/dbraw/zinc/86/02/48/1051860248.db2.gz ABZCRGLRBBAFKU-FQEVSTJZSA-N 1 0 335.407 4.064 20 30 EIEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001183511307 1051861111 /nfs/dbraw/zinc/86/11/11/1051861111.db2.gz LMMQHBMQDQYPKW-BHYGNILZSA-N 1 0 327.390 4.258 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3ccc(Br)cc3c2)C1 ZINC001183561820 1051862154 /nfs/dbraw/zinc/86/21/54/1051862154.db2.gz VSSGCRQAMPMJJK-YVEFUNNKSA-N 1 0 329.241 4.384 20 30 EIEDRO CC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000775578353 1051873013 /nfs/dbraw/zinc/87/30/13/1051873013.db2.gz VYTIWHNDGQWEDZ-DJJJIMSYSA-N 1 0 346.833 4.467 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001183642705 1051874672 /nfs/dbraw/zinc/87/46/72/1051874672.db2.gz KLGADJBMDYQMKT-KKXDTOCCSA-N 1 0 332.285 4.088 20 30 EIEDRO C=C1CCC(C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)CC1 ZINC001183740406 1051892912 /nfs/dbraw/zinc/89/29/12/1051892912.db2.gz NXUOEARZHSVPAC-OAGGEKHMSA-N 1 0 347.421 4.233 20 30 EIEDRO C[NH+](C)Cc1ccc(NCc2csc(C#N)c2)cc1C(F)(F)F ZINC001183787789 1051899063 /nfs/dbraw/zinc/89/90/63/1051899063.db2.gz FFVUJVSCCBKCTD-UHFFFAOYSA-N 1 0 339.386 4.312 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001193385353 1051915189 /nfs/dbraw/zinc/91/51/89/1051915189.db2.gz UMJAHUONTDPVOH-CHWSQXEVSA-N 1 0 332.271 4.020 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)ccc1C#N ZINC001183863397 1051918908 /nfs/dbraw/zinc/91/89/08/1051918908.db2.gz DEMSEWUYGKIXMB-KRWDZBQOSA-N 1 0 337.492 4.192 20 30 EIEDRO N#Cc1c(F)c(F)cc(Nc2cccc(C[NH+]3CCCC3)c2)c1F ZINC001176197642 1051941780 /nfs/dbraw/zinc/94/17/80/1051941780.db2.gz WKNMESLAAVIGTQ-UHFFFAOYSA-N 1 0 331.341 4.315 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC[C@H](C)C2)c1 ZINC001193516536 1051942693 /nfs/dbraw/zinc/94/26/93/1051942693.db2.gz CYDUJDALETUSQH-LPHOPBHVSA-N 1 0 341.499 4.061 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2sc3ccccc3c2C#N)cc1 ZINC001176223693 1051965625 /nfs/dbraw/zinc/96/56/25/1051965625.db2.gz HRJLLMGGGFSMCN-UHFFFAOYSA-N 1 0 337.448 4.457 20 30 EIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001193649281 1051965751 /nfs/dbraw/zinc/96/57/51/1051965751.db2.gz NRGSILAXHRGBJR-MISYRCLQSA-N 1 0 339.483 4.002 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)CCCC1(C)C ZINC001193920991 1052029435 /nfs/dbraw/zinc/02/94/35/1052029435.db2.gz SHZBTIHKBFSIEH-QGZVFWFLSA-N 1 0 343.446 4.366 20 30 EIEDRO C=C[C@H]1CCCC[N@H+]1CC1(COc2cccc(COC)c2)CCC1 ZINC001193943377 1052044098 /nfs/dbraw/zinc/04/40/98/1052044098.db2.gz VSHDEAOWPNTLHM-IBGZPJMESA-N 1 0 329.484 4.423 20 30 EIEDRO C#CCC1([NH2+]Cc2cccc(OCC(F)(F)F)c2)CCCCC1 ZINC001176433375 1052052289 /nfs/dbraw/zinc/05/22/89/1052052289.db2.gz VDLHAHPZCHGAFF-UHFFFAOYSA-N 1 0 325.374 4.444 20 30 EIEDRO C#CCC1([NH2+]CC(=O)N[C@H](CC)c2ccc(Cl)cc2)CCCCC1 ZINC001176431215 1052052600 /nfs/dbraw/zinc/05/26/00/1052052600.db2.gz ASMRLOSBTZWZPC-GOSISDBHSA-N 1 0 346.902 4.223 20 30 EIEDRO Cc1ccc([C@@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)C2)c(C)c1 ZINC001194073810 1052070977 /nfs/dbraw/zinc/07/09/77/1052070977.db2.gz LPWPEJBOYFEIGT-HXUWFJFHSA-N 1 0 334.463 4.434 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000165760681 1052077593 /nfs/dbraw/zinc/07/75/93/1052077593.db2.gz VLVSXWWMXJSPKV-SFHVURJKSA-N 1 0 328.500 4.150 20 30 EIEDRO CC(C)C[NH+]1CCC(Nc2cc(C(F)(F)F)c(F)cc2C#N)CC1 ZINC001184720651 1052088380 /nfs/dbraw/zinc/08/83/80/1052088380.db2.gz USBUYDXZQMDJOV-UHFFFAOYSA-N 1 0 343.368 4.248 20 30 EIEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001176554334 1052131730 /nfs/dbraw/zinc/13/17/30/1052131730.db2.gz COOFPEXBXJRQED-OAHLLOKOSA-N 1 0 341.263 4.092 20 30 EIEDRO Cc1nsc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c1C#N ZINC001184973754 1052138008 /nfs/dbraw/zinc/13/80/08/1052138008.db2.gz ZLSUTFCVAGLWEB-UHFFFAOYSA-N 1 0 326.469 4.095 20 30 EIEDRO CCC[C@@H]([NH2+]CCSCc1ccccc1C#N)c1cccnc1 ZINC000185169635 1052506827 /nfs/dbraw/zinc/50/68/27/1052506827.db2.gz WUGVXVUIWLUHAD-LJQANCHMSA-N 1 0 325.481 4.317 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C2CC(C(F)(F)F)C2)cc1OC ZINC000623525399 1052671275 /nfs/dbraw/zinc/67/12/75/1052671275.db2.gz JTQCYBIYWUBGCI-UHFFFAOYSA-N 1 0 349.780 4.344 20 30 EIEDRO N#C[C@@H]1CCC[C@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000185734598 1052688418 /nfs/dbraw/zinc/68/84/18/1052688418.db2.gz MTUMQTFJZITIBP-MJGOQNOKSA-N 1 0 327.472 4.046 20 30 EIEDRO C=CC[N@@H+](Cc1cn(C)nc1-c1cccs1)Cc1cccc(C#N)c1 ZINC000179856520 1052761090 /nfs/dbraw/zinc/76/10/90/1052761090.db2.gz BEDVWNMYFFVASK-UHFFFAOYSA-N 1 0 348.475 4.208 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000921505463 1052773456 /nfs/dbraw/zinc/77/34/56/1052773456.db2.gz YWJHHKKGSWZPTR-UHFFFAOYSA-N 1 0 333.479 4.061 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000180039466 1052775123 /nfs/dbraw/zinc/77/51/23/1052775123.db2.gz LAAHYEANXUBKAG-QGZVFWFLSA-N 1 0 339.464 4.245 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N[C@H](C)c1cccs1)c1ccccc1 ZINC000180047553 1052775848 /nfs/dbraw/zinc/77/58/48/1052775848.db2.gz MBUIEJSIDPDNHV-WBVHZDCISA-N 1 0 328.481 4.222 20 30 EIEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623996885 1052849337 /nfs/dbraw/zinc/84/93/37/1052849337.db2.gz VMOWCANXDKEOEA-MRXNPFEDSA-N 1 0 344.480 4.104 20 30 EIEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000182183137 1052918326 /nfs/dbraw/zinc/91/83/26/1052918326.db2.gz HPBODEIGQZKJMD-IRXDYDNUSA-N 1 0 327.472 4.395 20 30 EIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccn(C3CCCC3)n2)cc1 ZINC000119590376 1053068573 /nfs/dbraw/zinc/06/85/73/1053068573.db2.gz CYTIBLBXJOLBEQ-HNNXBMFYSA-N 1 0 339.487 4.439 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)cc2)CC1 ZINC000850137207 1053078699 /nfs/dbraw/zinc/07/86/99/1053078699.db2.gz KMQCAHOGWKEBHF-QFIPXVFZSA-N 1 0 346.474 4.499 20 30 EIEDRO Cc1ccc(CN(CC[NH+]2CCCCCC2)C2CCC2)cc1C#N ZINC001194806946 1053109285 /nfs/dbraw/zinc/10/92/85/1053109285.db2.gz OGRBPPKCFSDJSC-UHFFFAOYSA-N 1 0 325.500 4.097 20 30 EIEDRO C=CCCC(C)(C)[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000850416760 1053183968 /nfs/dbraw/zinc/18/39/68/1053183968.db2.gz BLRBLCORLSYIHO-UHFFFAOYSA-N 1 0 325.478 4.325 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc2c(c1)CCCO2 ZINC000850441752 1053214388 /nfs/dbraw/zinc/21/43/88/1053214388.db2.gz BMXUGBCHUOAEHQ-JKSUJKDBSA-N 1 0 336.435 4.326 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)C(C)(C)C(F)F)cc(OC)c1OC ZINC000850444302 1053220907 /nfs/dbraw/zinc/22/09/07/1053220907.db2.gz XRIPSPCUSZRXSR-GFCCVEGCSA-N 1 0 327.415 4.202 20 30 EIEDRO CCOC(=O)NC1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000850470628 1053250167 /nfs/dbraw/zinc/25/01/67/1053250167.db2.gz GEESYAHOEHIZAN-ACBHZAAOSA-N 1 0 343.471 4.068 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000850483030 1053253000 /nfs/dbraw/zinc/25/30/00/1053253000.db2.gz NHIPKUCSXCCPHM-GDBMZVCRSA-N 1 0 329.444 4.206 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)c1ccco1 ZINC000850488355 1053256112 /nfs/dbraw/zinc/25/61/12/1053256112.db2.gz MJAFSTMFAYKZCT-LPHOPBHVSA-N 1 0 326.440 4.164 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](C)c2c(F)cncc2F)c(O)c1 ZINC000794676982 1053260610 /nfs/dbraw/zinc/26/06/10/1053260610.db2.gz RMZVARVWEAPXHZ-AWOXZHSLSA-N 1 0 333.382 4.092 20 30 EIEDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001195083452 1053267323 /nfs/dbraw/zinc/26/73/23/1053267323.db2.gz BSZKBWRUUNLZQY-OAQYLSRUSA-N 1 0 333.479 4.140 20 30 EIEDRO C#CCOc1ccc([C@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000764746710 1053288320 /nfs/dbraw/zinc/28/83/20/1053288320.db2.gz QNXWWWLTYOZUAP-WMZHIEFXSA-N 1 0 348.490 4.186 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC001195257970 1053347852 /nfs/dbraw/zinc/34/78/52/1053347852.db2.gz LPWFVSBEFCMFSM-GOSISDBHSA-N 1 0 342.389 4.052 20 30 EIEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001195277097 1053356883 /nfs/dbraw/zinc/35/68/83/1053356883.db2.gz DUYUGURMEQWQHA-WBVHZDCISA-N 1 0 347.890 4.297 20 30 EIEDRO C=CCn1c(-c2cccs2)nn(CN2CCC[C@H]2C(C)C)c1=S ZINC000764914447 1053368400 /nfs/dbraw/zinc/36/84/00/1053368400.db2.gz HXAHMAAWYCPINK-AWEZNQCLSA-N 1 0 348.541 4.406 20 30 EIEDRO C[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)[C@H]1C(=O)OC(C)(C)C ZINC001195349813 1053379561 /nfs/dbraw/zinc/37/95/61/1053379561.db2.gz DPNRCIWNBHBBEL-DLBZAZTESA-N 1 0 334.504 4.293 20 30 EIEDRO N#CCC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000775654974 1053392522 /nfs/dbraw/zinc/39/25/22/1053392522.db2.gz KLNFFAVDZRCUAT-ROUUACIJSA-N 1 0 332.806 4.147 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000765015068 1053421195 /nfs/dbraw/zinc/42/11/95/1053421195.db2.gz OAOVMGYLJFKRJW-ZDUSSCGKSA-N 1 0 334.448 4.236 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](c2cc(F)ccc2F)C(C)C)cc1C#N ZINC000794816654 1053431443 /nfs/dbraw/zinc/43/14/43/1053431443.db2.gz OASLYEKULSYUEY-LJQANCHMSA-N 1 0 330.378 4.332 20 30 EIEDRO COc1ccc(C[NH2+][C@H](c2cc(F)ccc2F)C(C)C)cc1C#N ZINC000794816644 1053431766 /nfs/dbraw/zinc/43/17/66/1053431766.db2.gz OASLYEKULSYUEY-IBGZPJMESA-N 1 0 330.378 4.332 20 30 EIEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)[C@H](O)c1ccccc1 ZINC000794828063 1053439962 /nfs/dbraw/zinc/43/99/62/1053439962.db2.gz BAJULBUJXDVEJM-VOBQZIQPSA-N 1 0 326.415 4.250 20 30 EIEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000794834132 1053453072 /nfs/dbraw/zinc/45/30/72/1053453072.db2.gz XMNDVHLNNQEDEK-GKCIPKSASA-N 1 0 326.415 4.250 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1-c1ccc(C)cc1 ZINC001195707785 1053466555 /nfs/dbraw/zinc/46/65/55/1053466555.db2.gz KUGWCEGOPGNTSJ-FQEVSTJZSA-N 1 0 348.490 4.351 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000765271770 1053486184 /nfs/dbraw/zinc/48/61/84/1053486184.db2.gz PHONIKXYRAXMQL-AWEZNQCLSA-N 1 0 345.826 4.397 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1 ZINC000765282592 1053491972 /nfs/dbraw/zinc/49/19/72/1053491972.db2.gz XSTRHKBQAVMVEI-IBGZPJMESA-N 1 0 339.410 4.230 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(C)C)nc1C ZINC000338940038 1053495977 /nfs/dbraw/zinc/49/59/77/1053495977.db2.gz RUBIQTLXLTVFRO-UHFFFAOYSA-N 1 0 337.467 4.034 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)[C@H](O)c1c(Cl)cccc1Cl ZINC000925487508 1053510643 /nfs/dbraw/zinc/51/06/43/1053510643.db2.gz WOKPMFGMZADPAV-ZETOZRRWSA-N 1 0 329.271 4.333 20 30 EIEDRO C=C(C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000765416139 1053538021 /nfs/dbraw/zinc/53/80/21/1053538021.db2.gz JWAIZCCSUJYDJU-QGZVFWFLSA-N 1 0 340.442 4.026 20 30 EIEDRO C=C(C)CC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001195987171 1053543974 /nfs/dbraw/zinc/54/39/74/1053543974.db2.gz WFPWJCSTGXRDJC-RTBURBONSA-N 1 0 344.499 4.335 20 30 EIEDRO C[C@@]1(C2CC2)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001196055501 1053564103 /nfs/dbraw/zinc/56/41/03/1053564103.db2.gz CMMNTDHZWJIGLB-QFIPXVFZSA-N 1 0 332.447 4.226 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2oc(C(=O)OC)cc2c1 ZINC001196057343 1053567350 /nfs/dbraw/zinc/56/73/50/1053567350.db2.gz REDBNBKVTQTOOR-DOTOQJQBSA-N 1 0 327.424 4.444 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000865695006 1053571944 /nfs/dbraw/zinc/57/19/44/1053571944.db2.gz KOPNKMIDYGDVFZ-UHFFFAOYSA-N 1 0 331.872 4.032 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCC(OC(C)(C)C)CC2)cc1 ZINC000865698286 1053574766 /nfs/dbraw/zinc/57/47/66/1053574766.db2.gz LWBKWFUPHBQRJN-LSJNQWAISA-N 1 0 330.472 4.193 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC=CC[C@H]3C(F)(F)F)CC2)cc1 ZINC000865829733 1053601250 /nfs/dbraw/zinc/60/12/50/1053601250.db2.gz FFTKSGVYEVOJHR-QZTJIDSGSA-N 1 0 349.400 4.014 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc3cnccc3o2)cc1OC ZINC000865851594 1053607697 /nfs/dbraw/zinc/60/76/97/1053607697.db2.gz IDTUNKRFTUTHPG-AWEZNQCLSA-N 1 0 338.407 4.252 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001196329089 1053640234 /nfs/dbraw/zinc/64/02/34/1053640234.db2.gz LGBPZLIIYDPWPK-HDICACEKSA-N 1 0 334.504 4.207 20 30 EIEDRO C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(C#N)c1[O-] ZINC000866222062 1053655837 /nfs/dbraw/zinc/65/58/37/1053655837.db2.gz XUFQYJXRYYLFQN-KRWDZBQOSA-N 1 0 349.478 4.101 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](CC)c1cccc(OC)c1OC)c1ccncc1 ZINC000866268518 1053670623 /nfs/dbraw/zinc/67/06/23/1053670623.db2.gz XESLBVPQJRMFOL-ZWKOTPCHSA-N 1 0 326.440 4.457 20 30 EIEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCCOc1ccc(C#N)cc1)CCC2 ZINC000111310752 1053675158 /nfs/dbraw/zinc/67/51/58/1053675158.db2.gz CRLHZXLQXWLJQH-SFHVURJKSA-N 1 0 341.480 4.102 20 30 EIEDRO N#Cc1c(-c2ccccc2)ccnc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168544246 1053698958 /nfs/dbraw/zinc/69/89/58/1053698958.db2.gz UIJVYVKAGDGLNM-KRWDZBQOSA-N 1 0 340.430 4.204 20 30 EIEDRO COC[C@@H](C)[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC001196646622 1053715261 /nfs/dbraw/zinc/71/52/61/1053715261.db2.gz MUGAEUTZXRKTNC-VFNWGFHPSA-N 1 0 338.426 4.222 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000866448399 1053733715 /nfs/dbraw/zinc/73/37/15/1053733715.db2.gz FGVZFTSGQXAMQX-UHFFFAOYSA-N 1 0 331.463 4.063 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cc(C)ccn1 ZINC000866449056 1053734268 /nfs/dbraw/zinc/73/42/68/1053734268.db2.gz QEZDBIFTXGESGC-HXUWFJFHSA-N 1 0 348.494 4.362 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccc(C#N)cc1 ZINC000866448225 1053734460 /nfs/dbraw/zinc/73/44/60/1053734460.db2.gz BRSOGVAEWSMWFM-NRFANRHFSA-N 1 0 344.462 4.140 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000776742049 1053815673 /nfs/dbraw/zinc/81/56/73/1053815673.db2.gz ZFLYBQKPHPYYAY-XOBRGWDASA-N 1 0 340.442 4.379 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000776742046 1053815863 /nfs/dbraw/zinc/81/58/63/1053815863.db2.gz ZFLYBQKPHPYYAY-VLIAUNLRSA-N 1 0 340.442 4.379 20 30 EIEDRO Cc1nc(C(C)C)ccc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000338964275 1053848881 /nfs/dbraw/zinc/84/88/81/1053848881.db2.gz XMGVCQVVTZEBDG-UHFFFAOYSA-N 1 0 349.478 4.429 20 30 EIEDRO CCCCCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC001197317411 1053871850 /nfs/dbraw/zinc/87/18/50/1053871850.db2.gz SWTGEYQCBLLGDR-GOSISDBHSA-N 1 0 331.504 4.483 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCc1cccnc1 ZINC000130776383 1053872430 /nfs/dbraw/zinc/87/24/30/1053872430.db2.gz CZMWGNXTSMMRCS-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO C=CCCC[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC001197378352 1053897974 /nfs/dbraw/zinc/89/79/74/1053897974.db2.gz XQVZTBXDAVASGA-LEWJYISDSA-N 1 0 327.443 4.416 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)cc1 ZINC000776807261 1053907376 /nfs/dbraw/zinc/90/73/76/1053907376.db2.gz GEUIFKIBCBFVSF-KBPBESRZSA-N 1 0 337.448 4.438 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc(NC(=O)CC(C)C)c1 ZINC000921594234 1053911926 /nfs/dbraw/zinc/91/19/26/1053911926.db2.gz FLIYUFCJURZOPF-UHFFFAOYSA-N 1 0 349.478 4.450 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2)ccc1OC ZINC000113308827 1053917390 /nfs/dbraw/zinc/91/73/90/1053917390.db2.gz GTTWPFVREAYEKU-KBXCAEBGSA-N 1 0 342.414 4.366 20 30 EIEDRO CC#CCN(C)[C@@H](c1ccccc1)c1ccccc1Br ZINC001197532089 1053925001 /nfs/dbraw/zinc/92/50/01/1053925001.db2.gz JKARETFXJMKFOM-SFHVURJKSA-N 1 0 328.253 4.494 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1F ZINC001197611849 1053943765 /nfs/dbraw/zinc/94/37/65/1053943765.db2.gz WNVVWXQLAUGVIU-ZYHUDNBSSA-N 1 0 345.245 4.228 20 30 EIEDRO CCCC[NH+](CCCC)CCCNC(=S)Nc1cccc(C#N)c1 ZINC001197726238 1053983456 /nfs/dbraw/zinc/98/34/56/1053983456.db2.gz ILSNRWCZDKSYSD-UHFFFAOYSA-N 1 0 346.544 4.137 20 30 EIEDRO C=CCCCC[NH+]1CCC(Cc2nc(-c3cccc(C)n3)no2)CC1 ZINC001197785119 1053995468 /nfs/dbraw/zinc/99/54/68/1053995468.db2.gz ATRRKKTTYLHNCO-UHFFFAOYSA-N 1 0 340.471 4.051 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](Cc3nccs3)C2)c(Cl)c1 ZINC001197921517 1054023748 /nfs/dbraw/zinc/02/37/48/1054023748.db2.gz VOLGKFDRLVRQGY-CQSZACIVSA-N 1 0 331.872 4.123 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2F)c1 ZINC000113952443 1054026707 /nfs/dbraw/zinc/02/67/07/1054026707.db2.gz FKAYIKFJGOMGMG-CJNGLKHVSA-N 1 0 330.378 4.497 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2F)c1 ZINC000113952445 1054027828 /nfs/dbraw/zinc/02/78/28/1054027828.db2.gz FKAYIKFJGOMGMG-CZUORRHYSA-N 1 0 330.378 4.497 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C/C=C/c2ccccc2OC)c1 ZINC000113961498 1054033967 /nfs/dbraw/zinc/03/39/67/1054033967.db2.gz ZFCLOJUAIQVUCR-VQFGERMISA-N 1 0 336.435 4.179 20 30 EIEDRO CC1(C)CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC001198202835 1054094570 /nfs/dbraw/zinc/09/45/70/1054094570.db2.gz ROPZTJHMDLHNSS-SFTDATJTSA-N 1 0 334.463 4.107 20 30 EIEDRO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@H+](CCC2(C#N)CCCCC2)[C@H]1C ZINC001198666909 1054229009 /nfs/dbraw/zinc/22/90/09/1054229009.db2.gz GWYVIFWAAAEJNN-ZJPYXAASSA-N 1 0 334.504 4.149 20 30 EIEDRO C#CCOc1cccc(Cl)c1CNCCC[N@@H+](C)C1CCCCC1 ZINC001198919251 1054303590 /nfs/dbraw/zinc/30/35/90/1054303590.db2.gz VFUBNFOLVQCUBN-UHFFFAOYSA-N 1 0 348.918 4.096 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc(OC)c1OC ZINC000872048351 1054361849 /nfs/dbraw/zinc/36/18/49/1054361849.db2.gz YODVCXPSYZEGFM-SFHVURJKSA-N 1 0 345.483 4.014 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNCc1ccnc(Cl)c1Cl)C(C)C ZINC001199197090 1054362546 /nfs/dbraw/zinc/36/25/46/1054362546.db2.gz FJVZRYOKWCJXMN-OAHLLOKOSA-N 1 0 342.314 4.177 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000872121328 1054399481 /nfs/dbraw/zinc/39/94/81/1054399481.db2.gz LFKSMKHBBNNNOB-GOSISDBHSA-N 1 0 346.459 4.244 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(C(F)(F)F)nc1 ZINC000872130507 1054405777 /nfs/dbraw/zinc/40/57/77/1054405777.db2.gz NWLLMYQLTVNFPX-BZNIZROVSA-N 1 0 331.341 4.310 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc3cc[nH]c3c2)ccc1OC ZINC000858136108 1054420344 /nfs/dbraw/zinc/42/03/44/1054420344.db2.gz IKRTWZLEBDKLDC-SFHVURJKSA-N 1 0 349.434 4.147 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@H](C)Cc1ccccc1F ZINC001199648130 1054437455 /nfs/dbraw/zinc/43/74/55/1054437455.db2.gz DRXWANRTAQAUHR-CQSZACIVSA-N 1 0 331.818 4.212 20 30 EIEDRO C=CC(C)(C)CC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000858205728 1054438523 /nfs/dbraw/zinc/43/85/23/1054438523.db2.gz HMHDDCKOLKLLRC-UHFFFAOYSA-N 1 0 325.478 4.182 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000858320835 1054464716 /nfs/dbraw/zinc/46/47/16/1054464716.db2.gz KBCIWOUGUIGHGH-BFUOFWGJSA-N 1 0 326.827 4.408 20 30 EIEDRO Cc1sc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1Br ZINC000873093927 1054487280 /nfs/dbraw/zinc/48/72/80/1054487280.db2.gz XEOHFAXDAOLRKU-UHFFFAOYSA-N 1 0 347.281 4.470 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(Cl)cc(C(C)=O)c1O ZINC001168580843 1054495648 /nfs/dbraw/zinc/49/56/48/1054495648.db2.gz QUJOCALLNSLICV-UHFFFAOYSA-N 1 0 333.815 4.072 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(C(F)(F)F)nc1 ZINC000873185153 1054503417 /nfs/dbraw/zinc/50/34/17/1054503417.db2.gz QIPNXNDKKFSELJ-QWHCGFSZSA-N 1 0 349.356 4.242 20 30 EIEDRO CN(Cc1ccc(C[NH+](C)C)cc1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000859214005 1054644892 /nfs/dbraw/zinc/64/48/92/1054644892.db2.gz SNJHNEOYQBKIOT-LJQANCHMSA-N 1 0 327.859 4.098 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)CCC(=O)N2 ZINC000552969704 1054651806 /nfs/dbraw/zinc/65/18/06/1054651806.db2.gz VPMIHMVWXHOOIN-SZNDQCEHSA-N 1 0 345.446 4.171 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000124969661 1054654827 /nfs/dbraw/zinc/65/48/27/1054654827.db2.gz VQYYJPLSYJUKCK-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO CCC(CC)[C@H](CN[C@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCC1 ZINC000776153944 1054748108 /nfs/dbraw/zinc/74/81/08/1054748108.db2.gz KZEQQKJCPLFHPM-UTKZUKDTSA-N 1 0 343.515 4.140 20 30 EIEDRO C[C@@H]([NH2+]CC1(Cc2ccc(F)cc2)CC1)c1ccc(OCC#N)cc1 ZINC000776163956 1054774230 /nfs/dbraw/zinc/77/42/30/1054774230.db2.gz MYWBYBQREYIRJS-MRXNPFEDSA-N 1 0 338.426 4.402 20 30 EIEDRO COc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000776160143 1054782085 /nfs/dbraw/zinc/78/20/85/1054782085.db2.gz LUTFTFOJHJMOLI-INIZCTEOSA-N 1 0 338.451 4.226 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000776169388 1054799836 /nfs/dbraw/zinc/79/98/36/1054799836.db2.gz NHHKDQYJXHKHDD-SIFCLUCFSA-N 1 0 342.414 4.155 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000776167181 1054800439 /nfs/dbraw/zinc/80/04/39/1054800439.db2.gz BZHPGFVJHSGLDQ-OLZOCXBDSA-N 1 0 331.428 4.078 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H](O)c1c(F)cccc1Cl ZINC000776170912 1054800686 /nfs/dbraw/zinc/80/06/86/1054800686.db2.gz QWHCMPWMCPDKHL-IUUKEHGRSA-N 1 0 332.806 4.123 20 30 EIEDRO CC[C@H](C)C[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001201511504 1054825443 /nfs/dbraw/zinc/82/54/43/1054825443.db2.gz MQFOOMSXZSAXJN-AWEZNQCLSA-N 1 0 335.289 4.352 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 ZINC001201762828 1054899230 /nfs/dbraw/zinc/89/92/30/1054899230.db2.gz XCHAVWDAWQDTBP-SFTDATJTSA-N 1 0 330.516 4.464 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001201762313 1054899711 /nfs/dbraw/zinc/89/97/11/1054899711.db2.gz FNEHDAFYVJCODV-PWRODBHTSA-N 1 0 346.515 4.191 20 30 EIEDRO CCCCCCC[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001201797750 1054909414 /nfs/dbraw/zinc/90/94/14/1054909414.db2.gz FGPIMPKTURQSLL-UHFFFAOYSA-N 1 0 342.487 4.115 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001201797712 1054909905 /nfs/dbraw/zinc/90/99/05/1054909905.db2.gz DICSOBQLRODGBM-SFHVURJKSA-N 1 0 337.529 4.240 20 30 EIEDRO CCCCCCCC[NH+]1CC2(C1)CCN(Cc1csc(C)n1)C2 ZINC001201813623 1054910951 /nfs/dbraw/zinc/91/09/51/1054910951.db2.gz HKWUFZOTHHECKF-UHFFFAOYSA-N 1 0 335.561 4.320 20 30 EIEDRO CCCCCCC[N@@H+]1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001201776524 1054914289 /nfs/dbraw/zinc/91/42/89/1054914289.db2.gz DZZOWWMAOOIBKB-OAQYLSRUSA-N 1 0 343.515 4.009 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001201776726 1054915902 /nfs/dbraw/zinc/91/59/02/1054915902.db2.gz IYNUBDFOKKJNTR-UHFFFAOYSA-N 1 0 343.515 4.009 20 30 EIEDRO CCCCCCCCC[NH+]1CCC(NC(=O)N(CC)CC)CC1 ZINC001201852515 1054921398 /nfs/dbraw/zinc/92/13/98/1054921398.db2.gz BDZBCZGKIBSCOH-UHFFFAOYSA-N 1 0 325.541 4.253 20 30 EIEDRO CCCCCCCCC[NH+]1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001201840023 1054932276 /nfs/dbraw/zinc/93/22/76/1054932276.db2.gz RRNFKFWLQZCPQN-WOJBJXKFSA-N 1 0 329.532 4.196 20 30 EIEDRO CCCCCCCCCC[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001201874673 1054941922 /nfs/dbraw/zinc/94/19/22/1054941922.db2.gz CGGMHKDHVOAYDO-LDLYASANSA-N 1 0 334.548 4.364 20 30 EIEDRO N#Cc1cnc(Cl)c(C[N@@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000876722562 1054950444 /nfs/dbraw/zinc/95/04/44/1054950444.db2.gz YJHDOBPDPIWPTD-UHFFFAOYSA-N 1 0 341.842 4.257 20 30 EIEDRO C=CCN1C(=O)CCC12CC[NH+](CC[C@H](C)CCC=C(C)C)CC2 ZINC001201977620 1054956034 /nfs/dbraw/zinc/95/60/34/1054956034.db2.gz UPAFVLCVBPBXEX-LJQANCHMSA-N 1 0 332.532 4.402 20 30 EIEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](CCC(C)C)c1ccc(Cl)cc1 ZINC001168593121 1054956021 /nfs/dbraw/zinc/95/60/21/1054956021.db2.gz IXRJAIFDKVNYQR-GOSISDBHSA-N 1 0 349.906 4.169 20 30 EIEDRO C=CCOCc1nn(C)c2c1C[N@H+](CC[C@@H](C)CCC=C(C)C)CC2 ZINC001201974188 1054973568 /nfs/dbraw/zinc/97/35/68/1054973568.db2.gz WLPUCNYMFDGYPS-SFHVURJKSA-N 1 0 345.531 4.253 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1 ZINC000876963646 1054989483 /nfs/dbraw/zinc/98/94/83/1054989483.db2.gz HEJMEBODZYGULW-QGZVFWFLSA-N 1 0 327.516 4.482 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+]CC2(Sc3ccccc3)CC2)c1 ZINC000877008401 1055001265 /nfs/dbraw/zinc/00/12/65/1055001265.db2.gz QPXDEKONJKYKED-UHFFFAOYSA-N 1 0 329.856 4.021 20 30 EIEDRO N#Cc1ccc(F)c(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877067021 1055010844 /nfs/dbraw/zinc/01/08/44/1055010844.db2.gz AGPVFITUFNHFJZ-DENIHFKCSA-N 1 0 349.453 4.155 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1c[nH]c2ccc(Cl)cc12 ZINC000877066933 1055011738 /nfs/dbraw/zinc/01/17/38/1055011738.db2.gz AVQOLUMPQFYMAU-AWEZNQCLSA-N 1 0 345.874 4.052 20 30 EIEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877077385 1055014552 /nfs/dbraw/zinc/01/45/52/1055014552.db2.gz GFQKMOQWCUWVGM-GTNSWQLSSA-N 1 0 329.806 4.159 20 30 EIEDRO N#CC1(c2ccc(Br)cc2)CC[NH+](CC2CCCC2)CC1 ZINC001202166923 1055063735 /nfs/dbraw/zinc/06/37/35/1055063735.db2.gz JMFSZDNPADOHID-UHFFFAOYSA-N 1 0 347.300 4.496 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000877622650 1055092924 /nfs/dbraw/zinc/09/29/24/1055092924.db2.gz RWNBQFACCABKII-HNNXBMFYSA-N 1 0 329.444 4.159 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([NH2+]C3(c4ccc(C#N)cc4)CC3)CCO2)cc1 ZINC001168599500 1055099090 /nfs/dbraw/zinc/09/90/90/1055099090.db2.gz HCJFUARTSSNWHX-TZIWHRDSSA-N 1 0 348.446 4.066 20 30 EIEDRO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1cccs1 ZINC000877905006 1055149502 /nfs/dbraw/zinc/14/95/02/1055149502.db2.gz VLYRXUROLFOXAO-LJQANCHMSA-N 1 0 326.465 4.011 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2c(O)cccc2Br)cc1 ZINC001202366814 1055152228 /nfs/dbraw/zinc/15/22/28/1055152228.db2.gz RHUOXHXESLPJNO-UHFFFAOYSA-N 1 0 348.240 4.009 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000877960772 1055163054 /nfs/dbraw/zinc/16/30/54/1055163054.db2.gz BOTGYPVUIOUUBN-VQTJNVASSA-N 1 0 338.476 4.326 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccccc1C)c1ccccc1 ZINC000877987254 1055169406 /nfs/dbraw/zinc/16/94/06/1055169406.db2.gz CJHHKEKLIHNBPN-AVRDEDQJSA-N 1 0 334.463 4.429 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878000426 1055171621 /nfs/dbraw/zinc/17/16/21/1055171621.db2.gz CEXWYMVFZWVSSM-QHCPKHFHSA-N 1 0 346.474 4.158 20 30 EIEDRO CCS[C@@H]1CCCC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878098685 1055186915 /nfs/dbraw/zinc/18/69/15/1055186915.db2.gz ZVINPORAKGYRIH-WOJBJXKFSA-N 1 0 344.524 4.035 20 30 EIEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151406 1055196385 /nfs/dbraw/zinc/19/63/85/1055196385.db2.gz QHCJYSNRFIZWDF-VAMGGRTRSA-N 1 0 344.524 4.033 20 30 EIEDRO C=CC1CCN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000111258431 1055218860 /nfs/dbraw/zinc/21/88/60/1055218860.db2.gz YYCBERWPAXHRHL-UHFFFAOYSA-N 1 0 346.780 4.195 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2sc(C)nc2C)ccc1OC ZINC000108427159 1055294717 /nfs/dbraw/zinc/29/47/17/1055294717.db2.gz GYEWTSAEBJTEBC-UHFFFAOYSA-N 1 0 346.496 4.056 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)CC1(c2ccccc2)CC1)c1ccccc1 ZINC000878476816 1055319833 /nfs/dbraw/zinc/31/98/33/1055319833.db2.gz RAGZUTPIEFFLLY-HSZRJFAPSA-N 1 0 346.474 4.091 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(O)c(C(C)(C)C)c1 ZINC000850022217 1055324912 /nfs/dbraw/zinc/32/49/12/1055324912.db2.gz IEDXGHUFOYHVHD-CQSZACIVSA-N 1 0 338.451 4.421 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000765801948 1055376858 /nfs/dbraw/zinc/37/68/58/1055376858.db2.gz LNPQOLWVPUCKBO-BHIYHBOVSA-N 1 0 330.472 4.049 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000765801954 1055378271 /nfs/dbraw/zinc/37/82/71/1055378271.db2.gz LNPQOLWVPUCKBO-NZSAHSFTSA-N 1 0 330.472 4.049 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)C ZINC000114474876 1055415230 /nfs/dbraw/zinc/41/52/30/1055415230.db2.gz LMHDKOLBZDOTMG-UONOGXRCSA-N 1 0 333.501 4.044 20 30 EIEDRO CC[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)c1cccc(C#N)c1 ZINC000902871234 1055478778 /nfs/dbraw/zinc/47/87/78/1055478778.db2.gz KOPPMZMLHMRWMF-GOSISDBHSA-N 1 0 348.475 4.360 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000091069127 1055515369 /nfs/dbraw/zinc/51/53/69/1055515369.db2.gz CUILOTRITDZFNM-CVEARBPZSA-N 1 0 336.819 4.032 20 30 EIEDRO CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CCC2 ZINC000765820806 1055708697 /nfs/dbraw/zinc/70/86/97/1055708697.db2.gz VVEUFFHYWULGDY-VQTJNVASSA-N 1 0 334.467 4.380 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273358708 1055780574 /nfs/dbraw/zinc/78/05/74/1055780574.db2.gz CHPCYEKXEIHZPP-MAUKXSAKSA-N 1 0 330.428 4.111 20 30 EIEDRO N#Cc1cc(F)c(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000301070324 1055894118 /nfs/dbraw/zinc/89/41/18/1055894118.db2.gz BNKGJERYFIZAGV-CYBMUJFWSA-N 1 0 347.434 4.222 20 30 EIEDRO N#Cc1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000301163286 1055902488 /nfs/dbraw/zinc/90/24/88/1055902488.db2.gz GSHIQMJTVGCSNF-MRXNPFEDSA-N 1 0 349.356 4.419 20 30 EIEDRO N#Cc1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)cc1C(F)(F)F ZINC000301188359 1055905194 /nfs/dbraw/zinc/90/51/94/1055905194.db2.gz WWVIOCMQOANJLR-INIZCTEOSA-N 1 0 337.389 4.032 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1nc(C(F)(F)F)ccc1C#N ZINC000301300302 1055919339 /nfs/dbraw/zinc/91/93/39/1055919339.db2.gz QRGNNDAOCXRRKU-CYBMUJFWSA-N 1 0 340.393 4.039 20 30 EIEDRO N#Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000301346407 1055925468 /nfs/dbraw/zinc/92/54/68/1055925468.db2.gz KMWUAPAOLRKTND-UHFFFAOYSA-N 1 0 342.446 4.183 20 30 EIEDRO C[N@@H+]1CCC[C@@H](CNc2cccc(F)c2C#N)[C@H]1c1cccs1 ZINC000301433551 1055937035 /nfs/dbraw/zinc/93/70/35/1055937035.db2.gz RGMYDAWWHOFBIH-UGSOOPFHSA-N 1 0 329.444 4.254 20 30 EIEDRO CCCC[N@H+](C)CC1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000301565028 1055950820 /nfs/dbraw/zinc/95/08/20/1055950820.db2.gz YYZIHXNJJHMQLB-UHFFFAOYSA-N 1 0 336.483 4.055 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000301693879 1055970920 /nfs/dbraw/zinc/97/09/20/1055970920.db2.gz YXSYDYDDEXVEIV-OAHLLOKOSA-N 1 0 346.906 4.088 20 30 EIEDRO C[NH+](C)[C@H](CNc1cc(C#N)ccc1C(F)(F)F)c1cccs1 ZINC000301714354 1055973275 /nfs/dbraw/zinc/97/32/75/1055973275.db2.gz JFHBGVYQUNVIIX-CQSZACIVSA-N 1 0 339.386 4.353 20 30 EIEDRO CC[N@H+](C)Cc1cccc(CNc2cc(C#N)nc3ccccc32)c1 ZINC000301986938 1056005415 /nfs/dbraw/zinc/00/54/15/1056005415.db2.gz MXGORUZAKLUYLH-UHFFFAOYSA-N 1 0 330.435 4.170 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 ZINC000302041452 1056010350 /nfs/dbraw/zinc/01/03/50/1056010350.db2.gz LOKBSJAGQZBDRD-MJGOQNOKSA-N 1 0 348.494 4.197 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000302135766 1056021389 /nfs/dbraw/zinc/02/13/89/1056021389.db2.gz ZYYSKDHKJXYLRW-IERDGZPVSA-N 1 0 347.462 4.083 20 30 EIEDRO C[C@H]([NH2+]Cc1cnn(-c2cccc(Cl)c2)c1)c1ccc(C#N)cc1 ZINC000360056361 1056181707 /nfs/dbraw/zinc/18/17/07/1056181707.db2.gz IHNJLQZNTBPUTN-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO N#Cc1cc(CNCc2ccccc2C[NH+]2CCCCCC2)cs1 ZINC000921734685 1056218949 /nfs/dbraw/zinc/21/89/49/1056218949.db2.gz LYHGATWOVFYQQA-UHFFFAOYSA-N 1 0 339.508 4.286 20 30 EIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000404676814 1056265720 /nfs/dbraw/zinc/26/57/20/1056265720.db2.gz HKMLPIXDXLLBLH-SFHVURJKSA-N 1 0 327.359 4.237 20 30 EIEDRO Cc1cccc([C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)C(C)(C)C)c1 ZINC001168656914 1056373201 /nfs/dbraw/zinc/37/32/01/1056373201.db2.gz IYCWWWWUYOCUCK-HXUWFJFHSA-N 1 0 335.451 4.182 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000304224033 1056393637 /nfs/dbraw/zinc/39/36/37/1056393637.db2.gz FVQWDLLPWFFFKD-YCRPNKLZSA-N 1 0 338.426 4.204 20 30 EIEDRO C=CCCO[C@H](C)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000109569898 1056485817 /nfs/dbraw/zinc/48/58/17/1056485817.db2.gz YZHNKVQCLUXABK-MRXNPFEDSA-N 1 0 341.455 4.376 20 30 EIEDRO Cc1cc(Cl)c2ncc(C#N)c(NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000554871684 1056501911 /nfs/dbraw/zinc/50/19/11/1056501911.db2.gz ZQQMHBVQJKSHDF-UHFFFAOYSA-N 1 0 340.858 4.107 20 30 EIEDRO N#Cc1ccc(F)c(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000111261340 1056778744 /nfs/dbraw/zinc/77/87/44/1056778744.db2.gz RABRLUQRVVDERX-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCC(F)(F)F ZINC000075596158 1056798547 /nfs/dbraw/zinc/79/85/47/1056798547.db2.gz SVOYESGBUSMYOW-UHFFFAOYSA-N 1 0 334.341 4.131 20 30 EIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1csc(C#N)c1 ZINC000921888344 1056811303 /nfs/dbraw/zinc/81/13/03/1056811303.db2.gz QUZFGWKUTWBEPD-UHFFFAOYSA-N 1 0 343.521 4.089 20 30 EIEDRO C#CCCC[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000742385108 1058588459 /nfs/dbraw/zinc/58/84/59/1058588459.db2.gz KQMQHDKPUBGEJN-UHFFFAOYSA-N 1 0 329.875 4.462 20 30 EIEDRO C#CCCC[NH2+]Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000742385130 1058588528 /nfs/dbraw/zinc/58/85/28/1058588528.db2.gz PYNZSEUUQSSRKU-ZDUSSCGKSA-N 1 0 339.279 4.062 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](CC)[C@@H](O)c2c(F)cccc2F)c1 ZINC000742714684 1058755347 /nfs/dbraw/zinc/75/53/47/1058755347.db2.gz PKNISVAGZDFQEC-AZUAARDMSA-N 1 0 347.405 4.131 20 30 EIEDRO CCCCCC[C@@H](C)NN=C1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000743450178 1058998739 /nfs/dbraw/zinc/99/87/39/1058998739.db2.gz HDKXASDZBQPPQB-ZWKOTPCHSA-N 1 0 330.520 4.228 20 30 EIEDRO C[C@H](NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000743474564 1059025001 /nfs/dbraw/zinc/02/50/01/1059025001.db2.gz VMOWJSLEMJCMFV-KRWDZBQOSA-N 1 0 325.500 4.254 20 30 EIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCCOc2ccc(C#N)cc2)c1 ZINC000743853646 1059154801 /nfs/dbraw/zinc/15/48/01/1059154801.db2.gz BFULAPLSNJBEOA-QFIPXVFZSA-N 1 0 349.478 4.230 20 30 EIEDRO C#CCOc1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)cc1 ZINC000744449597 1059526853 /nfs/dbraw/zinc/52/68/53/1059526853.db2.gz KTSILAWRVUGNBI-UHFFFAOYSA-N 1 0 325.374 4.157 20 30 EIEDRO CSc1ccc(F)cc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000744449480 1059528192 /nfs/dbraw/zinc/52/81/92/1059528192.db2.gz YAIYREKIHGZMHI-ZDUSSCGKSA-N 1 0 330.428 4.128 20 30 EIEDRO Cc1cccc(C(C)(C)C[NH2+]Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000745179600 1059772034 /nfs/dbraw/zinc/77/20/34/1059772034.db2.gz OOSDBPHISSXKFO-UHFFFAOYSA-N 1 0 335.495 4.412 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000746125375 1060037075 /nfs/dbraw/zinc/03/70/75/1060037075.db2.gz HDCRKKPQJOCCRH-FVJLSDCUSA-N 1 0 347.462 4.153 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)ccc1OC ZINC000766439418 1060356949 /nfs/dbraw/zinc/35/69/49/1060356949.db2.gz QYWIHIGYJWDMJD-BURFUSLBSA-N 1 0 330.472 4.290 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2cccc(-c3cccnc3)c2)cc1 ZINC000766457283 1060364362 /nfs/dbraw/zinc/36/43/62/1060364362.db2.gz IMMRSOPAJVYQSZ-UHFFFAOYSA-N 1 0 328.415 4.050 20 30 EIEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001168979416 1060552816 /nfs/dbraw/zinc/55/28/16/1060552816.db2.gz DZNNEAXEKGWAMA-GUYCJALGSA-N 1 0 333.863 4.099 20 30 EIEDRO CC1(C)C[C@H](Nc2ncc(C#N)c3ccsc32)C[C@@](C)(C[NH3+])C1 ZINC001169146685 1060665061 /nfs/dbraw/zinc/66/50/61/1060665061.db2.gz RTSIFMRATGYFSN-SCLBCKFNSA-N 1 0 328.485 4.124 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@H]1C ZINC001169285771 1060743712 /nfs/dbraw/zinc/74/37/12/1060743712.db2.gz XVFWPEGEAVKZJK-CXAGYDPISA-N 1 0 333.863 4.051 20 30 EIEDRO C=C(CC)C[NH2+][C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001169270662 1060754783 /nfs/dbraw/zinc/75/47/83/1060754783.db2.gz JCJRJRUCRXASPV-SJLPKXTDSA-N 1 0 338.854 4.085 20 30 EIEDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc(N(C)CCC#N)cc3)c21 ZINC000103173104 1060774857 /nfs/dbraw/zinc/77/48/57/1060774857.db2.gz UMSSVHRJLLMUFZ-UHFFFAOYSA-N 1 0 346.478 4.159 20 30 EIEDRO C[C@@](C#N)(Nc1ccc([C@H]2CCC[NH2+]2)cn1)c1ccccc1Cl ZINC001169377028 1060789251 /nfs/dbraw/zinc/78/92/51/1060789251.db2.gz WJGVFXFBNMDWJB-AEFFLSMTSA-N 1 0 326.831 4.010 20 30 EIEDRO C=C(C)[C@H]([NH2+]C[C@H]1Cc2cc(OC)ccc2O1)c1ccc(F)c(F)c1 ZINC001169472533 1060833338 /nfs/dbraw/zinc/83/33/38/1060833338.db2.gz HSZLYVQTAGYLST-UZLBHIALSA-N 1 0 345.389 4.184 20 30 EIEDRO C#CCCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000766727916 1060841534 /nfs/dbraw/zinc/84/15/34/1060841534.db2.gz JIOXTKYYEQCCNB-FQEVSTJZSA-N 1 0 341.838 4.204 20 30 EIEDRO CO/N=C/c1cc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)cc(F)c1F ZINC001169689738 1060903074 /nfs/dbraw/zinc/90/30/74/1060903074.db2.gz NULNWGNFDSUKLZ-TVSCDJBNSA-N 1 0 345.393 4.185 20 30 EIEDRO N#Cc1sc(NCc2ccc(C[NH+]3CCCCC3)cc2)nc1Cl ZINC000804333734 1060907483 /nfs/dbraw/zinc/90/74/83/1060907483.db2.gz QLQKXKFDKWFNIS-UHFFFAOYSA-N 1 0 346.887 4.266 20 30 EIEDRO C#C[C@](C)(CC)Nc1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001169701821 1060910304 /nfs/dbraw/zinc/91/03/04/1060910304.db2.gz UWVPXQIICRLKQT-RBBKRZOGSA-N 1 0 335.495 4.379 20 30 EIEDRO N#CC1(c2ccc(-n3cc(CC[NH3+])c4ncccc43)cc2)CCCCC1 ZINC001169710553 1060912779 /nfs/dbraw/zinc/91/27/79/1060912779.db2.gz MEISACWBGAEGAP-UHFFFAOYSA-N 1 0 344.462 4.252 20 30 EIEDRO N#CC12CCC(Nc3ccc(F)c(C[NH+]4CCCC4)c3)(CC1)CC2 ZINC001169751652 1060928078 /nfs/dbraw/zinc/92/80/78/1060928078.db2.gz FSMHIWSLHPCZSY-UHFFFAOYSA-N 1 0 327.447 4.450 20 30 EIEDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC001169791606 1060971958 /nfs/dbraw/zinc/97/19/58/1060971958.db2.gz LSFIFHJQVUODBA-LBPRGKRZSA-N 1 0 327.409 4.039 20 30 EIEDRO N#Cc1ccc(N2CC[NH+](CCC3=CCCCC3)CC2)c(Cl)c1 ZINC001169811034 1060978366 /nfs/dbraw/zinc/97/83/66/1060978366.db2.gz MGMSNOPYWRIILZ-UHFFFAOYSA-N 1 0 329.875 4.224 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)CCCC1(C)C ZINC001169845819 1060997522 /nfs/dbraw/zinc/99/75/22/1060997522.db2.gz WOQTXOKPPLOXEN-GOSISDBHSA-N 1 0 344.890 4.487 20 30 EIEDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc1 ZINC001169855134 1061001441 /nfs/dbraw/zinc/00/14/41/1061001441.db2.gz XHMTXXHOLJSOBH-QAPCUYQASA-N 1 0 335.407 4.153 20 30 EIEDRO COc1cc(C#N)ccc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000766895725 1061055334 /nfs/dbraw/zinc/05/53/34/1061055334.db2.gz RGRZZSITHBMPRS-UHFFFAOYSA-N 1 0 337.467 4.043 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000078533525 217070053 /nfs/dbraw/zinc/07/00/53/217070053.db2.gz KNIROQJSFZPEJE-HXUWFJFHSA-N 1 0 343.515 4.114 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000532206819 1032072970 /nfs/dbraw/zinc/07/29/70/1032072970.db2.gz OFDDGVNQUHIBFQ-SJORKVTESA-N 1 0 330.435 4.215 20 30 EIEDRO N#Cc1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532243985 1032121111 /nfs/dbraw/zinc/12/11/11/1032121111.db2.gz QSDWFWGEHRNBBH-PKTZIBPZSA-N 1 0 345.490 4.045 20 30 EIEDRO CC1CCC(Oc2cc(C[NH2+]CC(C)(C)CCC#N)ccn2)CC1 ZINC000236693914 1032193532 /nfs/dbraw/zinc/19/35/32/1032193532.db2.gz NTQWTYQCSTUAPU-UHFFFAOYSA-N 1 0 329.488 4.459 20 30 EIEDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000236947777 1032211047 /nfs/dbraw/zinc/21/10/47/1032211047.db2.gz HAABKRSNTSRMNY-AEFFLSMTSA-N 1 0 330.472 4.436 20 30 EIEDRO COC(=O)C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)C1CCCCC1 ZINC000544425125 1032211399 /nfs/dbraw/zinc/21/13/99/1032211399.db2.gz SCJTYTYAPUZKQX-IBGZPJMESA-N 1 0 342.483 4.089 20 30 EIEDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H](C)C2)cc1OCCCC#N ZINC000237203825 1032226908 /nfs/dbraw/zinc/22/69/08/1032226908.db2.gz UWGUYDDGXAXLCQ-IRXDYDNUSA-N 1 0 330.472 4.294 20 30 EIEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccc(C)c2)no1 ZINC001211975935 1032269741 /nfs/dbraw/zinc/26/97/41/1032269741.db2.gz UUJCRODALXBIKO-MSOLQXFVSA-N 1 0 343.471 4.123 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000532927293 1032393232 /nfs/dbraw/zinc/39/32/32/1032393232.db2.gz NIMMEIXXNWKKNH-UHFFFAOYSA-N 1 0 338.451 4.378 20 30 EIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000532989972 1032429312 /nfs/dbraw/zinc/42/93/12/1032429312.db2.gz BTXCKDJMRLXSHL-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000532973256 1032430278 /nfs/dbraw/zinc/43/02/78/1032430278.db2.gz RCQWJUPBPRLXII-GOSISDBHSA-N 1 0 327.472 4.178 20 30 EIEDRO Fc1ccc(C#CC[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000533018704 1032448430 /nfs/dbraw/zinc/44/84/30/1032448430.db2.gz LCNAWJVESOQQLT-UHFFFAOYSA-N 1 0 329.459 4.239 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)c1 ZINC000450358331 1032454016 /nfs/dbraw/zinc/45/40/16/1032454016.db2.gz RTOQUWRDCZZPTG-INIZCTEOSA-N 1 0 334.410 4.227 20 30 EIEDRO CCCO[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177152999 1032488226 /nfs/dbraw/zinc/48/82/26/1032488226.db2.gz GZMNAFQMQDPPJZ-GOSISDBHSA-N 1 0 339.401 4.338 20 30 EIEDRO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCCC1 ZINC000302817815 1032512388 /nfs/dbraw/zinc/51/23/88/1032512388.db2.gz SDWBDLDXFGKUGJ-UHFFFAOYSA-N 1 0 337.467 4.392 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc21 ZINC000127468389 1032547003 /nfs/dbraw/zinc/54/70/03/1032547003.db2.gz ANRNZPSTTUQKLW-HOTGVXAUSA-N 1 0 343.430 4.389 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc21 ZINC000127468854 1032547808 /nfs/dbraw/zinc/54/78/08/1032547808.db2.gz ANRNZPSTTUQKLW-JKSUJKDBSA-N 1 0 343.430 4.389 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H](C)C(C)C ZINC000533256567 1032568766 /nfs/dbraw/zinc/56/87/66/1032568766.db2.gz SDRYIXQZKZJBOC-HOTGVXAUSA-N 1 0 347.528 4.243 20 30 EIEDRO C[C@@H](C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000533359774 1032672591 /nfs/dbraw/zinc/67/25/91/1032672591.db2.gz ARVIZADBRALVON-KRWDZBQOSA-N 1 0 347.462 4.012 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCOC2)cc1 ZINC000533350155 1032681370 /nfs/dbraw/zinc/68/13/70/1032681370.db2.gz AQWCWUHCRRKPTL-FQEVSTJZSA-N 1 0 338.426 4.126 20 30 EIEDRO C=CCCCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000274588542 1018820247 /nfs/dbraw/zinc/82/02/47/1018820247.db2.gz MRUPRDANVAFLDC-ZDUSSCGKSA-N 1 0 328.378 4.368 20 30 EIEDRO CC(C)COc1cccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236701517 1032825968 /nfs/dbraw/zinc/82/59/68/1032825968.db2.gz MQLIEXQWBCSXLJ-QGZVFWFLSA-N 1 0 338.451 4.302 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[N@H+](C1CC1)C1CCCC1 ZINC000064808633 1019375356 /nfs/dbraw/zinc/37/53/56/1019375356.db2.gz KJOOHJWUYIQNHH-UHFFFAOYSA-N 1 0 330.497 4.310 20 30 EIEDRO CC(C)(CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000339568415 1019410613 /nfs/dbraw/zinc/41/06/13/1019410613.db2.gz MQHRBSFYJIURGP-UHFFFAOYSA-N 1 0 336.483 4.380 20 30 EIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000157563772 1019475063 /nfs/dbraw/zinc/47/50/63/1019475063.db2.gz YTKHODPHVUCGBX-QGZVFWFLSA-N 1 0 334.394 4.198 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(Br)cc1F ZINC000126950320 1019522094 /nfs/dbraw/zinc/52/20/94/1019522094.db2.gz IEGMWYNWBCJTJO-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO CCOC(=O)C(C)(C)C1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000510117999 1019604460 /nfs/dbraw/zinc/60/44/60/1019604460.db2.gz GTSGWLWJYQOZOF-UHFFFAOYSA-N 1 0 348.874 4.013 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274816882 1019755617 /nfs/dbraw/zinc/75/56/17/1019755617.db2.gz ZJHHKFHHHPXGQA-GGPKGHCWSA-N 1 0 349.478 4.300 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000237208794 1032851807 /nfs/dbraw/zinc/85/18/07/1032851807.db2.gz VUAHMKMJQICJCA-LJQANCHMSA-N 1 0 337.492 4.363 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(Br)c1 ZINC000157749421 1019870518 /nfs/dbraw/zinc/87/05/18/1019870518.db2.gz VFGTVOUFXSTNEL-ZDUSSCGKSA-N 1 0 329.241 4.480 20 30 EIEDRO C=CCC[C@H](C(=O)N(C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000274981641 1019888207 /nfs/dbraw/zinc/88/82/07/1019888207.db2.gz FFVLNVIXEWNBQC-FQEVSTJZSA-N 1 0 328.500 4.068 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000116907902 1020192891 /nfs/dbraw/zinc/19/28/91/1020192891.db2.gz JKBFSHXRNDIPCQ-OXJNMPFZSA-N 1 0 338.451 4.238 20 30 EIEDRO C[NH2+]Cc1cn(-c2nc(Cl)cc(Cl)c2C#N)c2ccc(C)cc12 ZINC001167123037 1020268331 /nfs/dbraw/zinc/26/83/31/1020268331.db2.gz SJZKHMRNLPRTTR-UHFFFAOYSA-N 1 0 345.233 4.232 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@H](O)c1c(Cl)cccc1Cl ZINC000748099567 1020343822 /nfs/dbraw/zinc/34/38/22/1020343822.db2.gz ZAVGQMMMDOYYHK-VFZGTOFNSA-N 1 0 341.263 4.138 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001209442610 1020352690 /nfs/dbraw/zinc/35/26/90/1020352690.db2.gz ZGFBCTICUMJTJW-NRFANRHFSA-N 1 0 341.499 4.037 20 30 EIEDRO C=C(C)C[N@H+](CCCc1ccccc1Cl)Cc1ccc(CO)o1 ZINC000512487120 1032894731 /nfs/dbraw/zinc/89/47/31/1032894731.db2.gz QOEYMERGZREYDE-UHFFFAOYSA-N 1 0 333.859 4.436 20 30 EIEDRO N#Cc1cc(NCc2ccnc(N3CCCC3)c2)ccc1C(F)(F)F ZINC000165384873 1020452697 /nfs/dbraw/zinc/45/26/97/1020452697.db2.gz OKVCFLFEVPRCNC-UHFFFAOYSA-N 1 0 346.356 4.184 20 30 EIEDRO COc1ccc(CSCc2ccc(-n3ccnc3)cc2)cc1C#N ZINC000340144964 1020471334 /nfs/dbraw/zinc/47/13/34/1020471334.db2.gz CVUQXANUMBCHDX-UHFFFAOYSA-N 1 0 335.432 4.186 20 30 EIEDRO C=CCSCC[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000510220797 1020485518 /nfs/dbraw/zinc/48/55/18/1020485518.db2.gz DJRKGTBWFFKBDB-SFHVURJKSA-N 1 0 344.455 4.014 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)cc1 ZINC000119441412 1020526631 /nfs/dbraw/zinc/52/66/31/1020526631.db2.gz YLMGITOLTMWMIL-SFHVURJKSA-N 1 0 347.462 4.347 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc1OCCCC#N ZINC000340365657 1020802752 /nfs/dbraw/zinc/80/27/52/1020802752.db2.gz JIWNTBWHPZGELY-LZLYRXPVSA-N 1 0 330.472 4.292 20 30 EIEDRO N#Cc1cc(N2CCC(C[NH+]3CCCCCC3)CC2)c2ccccc2n1 ZINC000610275474 1020869205 /nfs/dbraw/zinc/86/92/05/1020869205.db2.gz UYGJVTSPYAMPHO-UHFFFAOYSA-N 1 0 348.494 4.199 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)s1 ZINC000176969714 1020941645 /nfs/dbraw/zinc/94/16/45/1020941645.db2.gz YVLGIRAMEGITCZ-LJQANCHMSA-N 1 0 326.465 4.194 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cc2ccccc2o1 ZINC000177564020 1020986277 /nfs/dbraw/zinc/98/62/77/1020986277.db2.gz IXYZGUKJXYGFGV-LBPRGKRZSA-N 1 0 339.420 4.045 20 30 EIEDRO C=CCC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)CC1 ZINC001167309514 1021017516 /nfs/dbraw/zinc/01/75/16/1021017516.db2.gz DDQBZSXZSSDXRE-KVZIAJEVSA-N 1 0 345.483 4.123 20 30 EIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000340446031 1021040853 /nfs/dbraw/zinc/04/08/53/1021040853.db2.gz NDXRQNZYKKGWRL-UWJYYQICSA-N 1 0 349.478 4.474 20 30 EIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cccc(-n2ccnn2)c1 ZINC000340445519 1021041326 /nfs/dbraw/zinc/04/13/26/1021041326.db2.gz DZARQSAYNQYYOW-UWJYYQICSA-N 1 0 345.450 4.353 20 30 EIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1-n1ccnn1 ZINC000340446379 1021042388 /nfs/dbraw/zinc/04/23/88/1021042388.db2.gz NSGFDXVAYZUBKG-PXNSSMCTSA-N 1 0 345.450 4.353 20 30 EIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000500823949 1032956679 /nfs/dbraw/zinc/95/66/79/1032956679.db2.gz ANZMZYUDSHTHEF-YLJYHZDGSA-N 1 0 338.451 4.319 20 30 EIEDRO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC001167331964 1021184617 /nfs/dbraw/zinc/18/46/17/1021184617.db2.gz DSIZQAHSDGWDJD-NRFANRHFSA-N 1 0 334.463 4.282 20 30 EIEDRO CCC[N@@H+]1CCc2c(N)sc(Nc3cc(Cl)cc(C#N)c3)c2C1 ZINC001210538019 1021199490 /nfs/dbraw/zinc/19/94/90/1021199490.db2.gz PJKCVFOUIYSIPU-UHFFFAOYSA-N 1 0 346.887 4.367 20 30 EIEDRO COc1ccc([C@@H](CCC#N)[NH2+]Cc2cccc(-n3ccnc3)c2)cc1 ZINC000580034582 1021308806 /nfs/dbraw/zinc/30/88/06/1021308806.db2.gz KISDGNMYWXSIIU-OAQYLSRUSA-N 1 0 346.434 4.016 20 30 EIEDRO Cc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000180028786 1021376323 /nfs/dbraw/zinc/37/63/23/1021376323.db2.gz JADRXKUJHRDTQI-UHFFFAOYSA-N 1 0 332.407 4.014 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C2CC2)cc1 ZINC000180029837 1021377292 /nfs/dbraw/zinc/37/72/92/1021377292.db2.gz YBJOJRZPHOPYAL-UHFFFAOYSA-N 1 0 346.409 4.252 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000177689483 1021436393 /nfs/dbraw/zinc/43/63/93/1021436393.db2.gz OSMJDWJQFINWAT-UHFFFAOYSA-N 1 0 346.883 4.111 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000177693045 1021526441 /nfs/dbraw/zinc/52/64/41/1021526441.db2.gz IKNMZXSOKKFLDL-UHFFFAOYSA-N 1 0 344.443 4.248 20 30 EIEDRO CC1CCC(Oc2cc(C[NH2+]Cc3cc(C#N)cs3)ccn2)CC1 ZINC000177701494 1021553524 /nfs/dbraw/zinc/55/35/24/1021553524.db2.gz PRJPVOZRZFCVGI-UHFFFAOYSA-N 1 0 341.480 4.262 20 30 EIEDRO CC(C)[C@H]([NH2+]CCCC(C)(C)C#N)c1nc(-c2ccccc2)no1 ZINC000376149501 1021595834 /nfs/dbraw/zinc/59/58/34/1021595834.db2.gz IYLJEEYCMPYIOP-INIZCTEOSA-N 1 0 326.444 4.353 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)c1 ZINC000177705430 1021628815 /nfs/dbraw/zinc/62/88/15/1021628815.db2.gz NKHIRVPWWRZPFF-CQSZACIVSA-N 1 0 331.872 4.032 20 30 EIEDRO C[NH+](C)CCCOc1ccc(CNc2ccc(Cl)cc2C#N)cc1 ZINC000511430602 1021732464 /nfs/dbraw/zinc/73/24/64/1021732464.db2.gz SJGVIFHTZRODKA-UHFFFAOYSA-N 1 0 343.858 4.154 20 30 EIEDRO C[C@H](c1ccsc1)[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000613185820 1021800400 /nfs/dbraw/zinc/80/04/00/1021800400.db2.gz ZXUUHDUKPWSFTN-OAHLLOKOSA-N 1 0 348.475 4.051 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000580982826 1021826481 /nfs/dbraw/zinc/82/64/81/1021826481.db2.gz ZOPSCBWHFHYXMA-VXKWHMMOSA-N 1 0 333.479 4.218 20 30 EIEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cc2ccccc2s1 ZINC000581062660 1021832199 /nfs/dbraw/zinc/83/21/99/1021832199.db2.gz KPUNZFYZRSDOKY-ZDUSSCGKSA-N 1 0 332.432 4.271 20 30 EIEDRO CCOC(=O)CCC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000581627572 1021861713 /nfs/dbraw/zinc/86/17/13/1021861713.db2.gz OVHACTVTLPEQRC-MRXNPFEDSA-N 1 0 336.435 4.219 20 30 EIEDRO C[C@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000431814113 1021895465 /nfs/dbraw/zinc/89/54/65/1021895465.db2.gz OHDVWTIIEXEMFC-WMLDXEAASA-N 1 0 340.858 4.072 20 30 EIEDRO CCCCCCCCC[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC001167406048 1022062281 /nfs/dbraw/zinc/06/22/81/1022062281.db2.gz NDNVPGUJAJONRY-UHFFFAOYSA-N 1 0 330.516 4.256 20 30 EIEDRO C=CC1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC001167405760 1022063161 /nfs/dbraw/zinc/06/31/61/1022063161.db2.gz JXPOTYJANLAYFK-UHFFFAOYSA-N 1 0 331.257 4.395 20 30 EIEDRO COC1CC[NH+](C2(CNc3ccc(Cl)cc3C#N)CCCC2)CC1 ZINC000341101351 1022096145 /nfs/dbraw/zinc/09/61/45/1022096145.db2.gz OVIRTYISDMLMQP-UHFFFAOYSA-N 1 0 347.890 4.047 20 30 EIEDRO N#CCCCC[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000179004530 1022228228 /nfs/dbraw/zinc/22/82/28/1022228228.db2.gz YYNSZEUBQQQIDN-UHFFFAOYSA-N 1 0 335.167 4.251 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415935692 1022252749 /nfs/dbraw/zinc/25/27/49/1022252749.db2.gz VEKFNMDOQJUVNJ-UHFFFAOYSA-N 1 0 337.467 4.406 20 30 EIEDRO CO[C@@](C)([C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CC1 ZINC000414236716 1022255349 /nfs/dbraw/zinc/25/53/49/1022255349.db2.gz LBXOWSPEKBNMJX-QGZBPCDMSA-N 1 0 326.484 4.184 20 30 EIEDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000180220506 1022306583 /nfs/dbraw/zinc/30/65/83/1022306583.db2.gz FCUBYUNRRHTVGI-MRXNPFEDSA-N 1 0 330.435 4.292 20 30 EIEDRO C=CCCCC[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000471607210 1022352833 /nfs/dbraw/zinc/35/28/33/1022352833.db2.gz SFGRMJHOCAVEBT-CYBMUJFWSA-N 1 0 339.277 4.112 20 30 EIEDRO N#Cc1ccc(OCCC[N@@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC001167429896 1022363004 /nfs/dbraw/zinc/36/30/04/1022363004.db2.gz NZCKXDCIABCHQB-UHFFFAOYSA-N 1 0 338.426 4.173 20 30 EIEDRO C[N@H+](CCc1cccs1)Cc1ccc(C#N)cc1Br ZINC000481058256 1022395144 /nfs/dbraw/zinc/39/51/44/1022395144.db2.gz NYPGKBFKMBKRGM-UHFFFAOYSA-N 1 0 335.270 4.057 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000414300918 1022441381 /nfs/dbraw/zinc/44/13/81/1022441381.db2.gz MLDZCFICVVBZFO-UTKZUKDTSA-N 1 0 336.479 4.226 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000414307750 1022471346 /nfs/dbraw/zinc/47/13/46/1022471346.db2.gz RYKPESSAVPKEKI-XKDCRVNJSA-N 1 0 327.493 4.262 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cccc3nccn32)cc1 ZINC000180335248 1022560994 /nfs/dbraw/zinc/56/09/94/1022560994.db2.gz DUFMYPCFKOVZNU-UHFFFAOYSA-N 1 0 338.414 4.163 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@H](C)c1ccccc1 ZINC000541215344 1022606125 /nfs/dbraw/zinc/60/61/25/1022606125.db2.gz ZQMXZWDSPBSYMC-ZGDXVETISA-N 1 0 349.478 4.425 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000472954080 1022619419 /nfs/dbraw/zinc/61/94/19/1022619419.db2.gz POQOEVIMKKWVMC-NVXWUHKLSA-N 1 0 330.497 4.438 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000162344433 1022678188 /nfs/dbraw/zinc/67/81/88/1022678188.db2.gz WRHRVIHSEDAZJH-JYJNAYRXSA-N 1 0 345.512 4.188 20 30 EIEDRO CCC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000193042068 1022687034 /nfs/dbraw/zinc/68/70/34/1022687034.db2.gz FDLDKYHNLVHSQR-HXUWFJFHSA-N 1 0 335.451 4.064 20 30 EIEDRO C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCC(C)(C#N)CC1 ZINC000414353785 1022691506 /nfs/dbraw/zinc/69/15/06/1022691506.db2.gz SVTKEBHOSBMZBT-FNMUINPESA-N 1 0 327.447 4.310 20 30 EIEDRO C=CCC[C@@H](NC(=O)N1CC[C@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000893766631 1033079408 /nfs/dbraw/zinc/07/94/08/1033079408.db2.gz CNJPDKBEBCDWCS-UYAOXDASSA-N 1 0 343.515 4.067 20 30 EIEDRO C[C@H](c1cccc(O)c1)N(C)Cc1ccc(C#N)cc1Br ZINC000181171995 1022894222 /nfs/dbraw/zinc/89/42/22/1022894222.db2.gz QSUUFHFCNQOELZ-GFCCVEGCSA-N 1 0 345.240 4.219 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000175987904 1022896809 /nfs/dbraw/zinc/89/68/09/1022896809.db2.gz LOBDXSHJHIGUGA-UHFFFAOYSA-N 1 0 343.421 4.340 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CCS2 ZINC000276082389 1022911907 /nfs/dbraw/zinc/91/19/07/1022911907.db2.gz BOXWAYZYIQTVFL-SFHVURJKSA-N 1 0 336.460 4.383 20 30 EIEDRO N#C[C@@H]1N(CC2CCC(C(F)(F)F)CC2)CCC[C@]12CCCCO2 ZINC000363925181 1022979109 /nfs/dbraw/zinc/97/91/09/1022979109.db2.gz JCYYCCAOXBLXPL-SJJHQCBESA-N 1 0 344.421 4.282 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000177855614 1023040875 /nfs/dbraw/zinc/04/08/75/1023040875.db2.gz VXSDLROXKNWDJQ-QGZVFWFLSA-N 1 0 328.412 4.055 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cc(Cl)cc2c1OCC2 ZINC000933275257 1023180901 /nfs/dbraw/zinc/18/09/01/1023180901.db2.gz NHHDTYIBVGOKBE-LLVKDONJSA-N 1 0 330.790 4.136 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167461970 1023212572 /nfs/dbraw/zinc/21/25/72/1023212572.db2.gz XBYNRGCBRVMYMJ-CQSZACIVSA-N 1 0 333.863 4.217 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c(OC(F)F)c1 ZINC000581487001 1023300953 /nfs/dbraw/zinc/30/09/53/1023300953.db2.gz NMLMHQFDCGNKME-QWHCGFSZSA-N 1 0 348.315 4.370 20 30 EIEDRO C=CC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000659824048 1023309967 /nfs/dbraw/zinc/30/99/67/1023309967.db2.gz YLMUCWVZAWXGNR-LJQANCHMSA-N 1 0 338.476 4.178 20 30 EIEDRO C[C@H](CC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C)n1ccnc1 ZINC000584783273 1023314961 /nfs/dbraw/zinc/31/49/61/1023314961.db2.gz AAVRQQSKBJLDPX-RWMBFGLXSA-N 1 0 342.468 4.092 20 30 EIEDRO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000188300587 1023315347 /nfs/dbraw/zinc/31/53/47/1023315347.db2.gz AZBWQTGVVPNQRQ-MRXNPFEDSA-N 1 0 328.419 4.175 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000549476232 1023381325 /nfs/dbraw/zinc/38/13/25/1023381325.db2.gz CLEZBCQEPKLOLS-ZWKOTPCHSA-N 1 0 335.442 4.018 20 30 EIEDRO CC(C)C[C@H](NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000549161294 1023406707 /nfs/dbraw/zinc/40/67/07/1023406707.db2.gz ANCIQMLMHGHYNN-UTKZUKDTSA-N 1 0 349.478 4.112 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000660339460 1023510199 /nfs/dbraw/zinc/51/01/99/1023510199.db2.gz QHBRDGJOKRZTEK-KSZLIROESA-N 1 0 347.528 4.024 20 30 EIEDRO COc1cccc(C2(F)CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000500159241 1023549963 /nfs/dbraw/zinc/54/99/63/1023549963.db2.gz KZJBQTYLODXBRD-UHFFFAOYSA-N 1 0 342.389 4.167 20 30 EIEDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000174579602 1023550604 /nfs/dbraw/zinc/55/06/04/1023550604.db2.gz CYRVAJNNWVTHLI-QGZVFWFLSA-N 1 0 345.487 4.172 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000418148949 1023565657 /nfs/dbraw/zinc/56/56/57/1023565657.db2.gz UOYWMFHQPLTCJL-IBGZPJMESA-N 1 0 342.389 4.369 20 30 EIEDRO CC(C)(C)c1ncc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418150517 1023567614 /nfs/dbraw/zinc/56/76/14/1023567614.db2.gz WAWXUVZMAOSWPG-KRWDZBQOSA-N 1 0 325.481 4.479 20 30 EIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000477307353 1023574463 /nfs/dbraw/zinc/57/44/63/1023574463.db2.gz WVDAZZDJFZWHBZ-OAHLLOKOSA-N 1 0 343.496 4.348 20 30 EIEDRO CSc1ccccc1[C@@H](C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000337368409 1023577049 /nfs/dbraw/zinc/57/70/49/1023577049.db2.gz NOLIVYMVAUVXHV-GFCCVEGCSA-N 1 0 345.493 4.021 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCc3ccccc32)cc(OC)c1O ZINC000500259433 1023629257 /nfs/dbraw/zinc/62/92/57/1023629257.db2.gz WNIHEDJEGSKTLV-LJQANCHMSA-N 1 0 337.463 4.339 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)Cc2ccccc2F)c1 ZINC000783253241 1023694328 /nfs/dbraw/zinc/69/43/28/1023694328.db2.gz ZUKGKYDSUISNJS-QAPCUYQASA-N 1 0 326.415 4.227 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000053644333 1023695190 /nfs/dbraw/zinc/69/51/90/1023695190.db2.gz YGCHUJHJHBQZHI-INIZCTEOSA-N 1 0 345.443 4.074 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415587824 1023707439 /nfs/dbraw/zinc/70/74/39/1023707439.db2.gz XBVVJXJZZDYGQQ-JWTNVVGKSA-N 1 0 341.499 4.285 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000415583432 1023709122 /nfs/dbraw/zinc/70/91/22/1023709122.db2.gz QXTNLDODGOHXEF-HXUWFJFHSA-N 1 0 331.504 4.424 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415583156 1023709346 /nfs/dbraw/zinc/70/93/46/1023709346.db2.gz QKBLHFATKAENIC-SFHVURJKSA-N 1 0 331.504 4.376 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000390603117 1023713890 /nfs/dbraw/zinc/71/38/90/1023713890.db2.gz YUGPFTAVBZTONY-NRFANRHFSA-N 1 0 336.479 4.006 20 30 EIEDRO N#CCC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000759864958 1023753784 /nfs/dbraw/zinc/75/37/84/1023753784.db2.gz JWOZNMUVBMAQIG-MSOLQXFVSA-N 1 0 332.806 4.147 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000178178961 1023781418 /nfs/dbraw/zinc/78/14/18/1023781418.db2.gz YAYHZWGQIVREAZ-NPPFBWRTSA-N 1 0 333.479 4.262 20 30 EIEDRO C=C(C)C[N@H+](CCc1nsc2ccccc12)Cc1ccc(CO)o1 ZINC000660538263 1023896954 /nfs/dbraw/zinc/89/69/54/1023896954.db2.gz OFVLLNGNOOBUSX-UHFFFAOYSA-N 1 0 342.464 4.002 20 30 EIEDRO CCCCCCCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001126050763 1024005761 /nfs/dbraw/zinc/00/57/61/1024005761.db2.gz DUYNKHVWCGSPAV-UHFFFAOYSA-N 1 0 340.577 4.215 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000181705902 1024011463 /nfs/dbraw/zinc/01/14/63/1024011463.db2.gz QKYCCDMABOPXBI-KBXCAEBGSA-N 1 0 339.439 4.144 20 30 EIEDRO CCCOc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc1F ZINC001211665641 1024035409 /nfs/dbraw/zinc/03/54/09/1024035409.db2.gz DMVWTIRITAOSDS-UHFFFAOYSA-N 1 0 345.443 4.279 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccnc(C(F)(F)F)c2)cc1 ZINC000594506539 1024092336 /nfs/dbraw/zinc/09/23/36/1024092336.db2.gz BEWDSKCTRHNKOP-UHFFFAOYSA-N 1 0 333.357 4.191 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000651670158 1024129236 /nfs/dbraw/zinc/12/92/36/1024129236.db2.gz XWCZWHZJZYZXTA-FXAWDEMLSA-N 1 0 326.484 4.147 20 30 EIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236713230 1024133651 /nfs/dbraw/zinc/13/36/51/1024133651.db2.gz CUZGCIABKITQBT-IIBYNOLFSA-N 1 0 340.442 4.473 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCCc3ccc(F)cc32)cc(OC)c1O ZINC000093116541 1024166604 /nfs/dbraw/zinc/16/66/04/1024166604.db2.gz USQDMVSGBBZPPD-IBGZPJMESA-N 1 0 341.426 4.436 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)C1 ZINC000651687037 1024200773 /nfs/dbraw/zinc/20/07/73/1024200773.db2.gz UHTZJGJGDSFPLB-PKOBYXMFSA-N 1 0 329.484 4.078 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000661117524 1024249236 /nfs/dbraw/zinc/24/92/36/1024249236.db2.gz RMHYGTOWLQVYNI-HIFRSBDPSA-N 1 0 340.389 4.368 20 30 EIEDRO CC(C)(C)c1nc(CN[C@@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000341695065 1024328530 /nfs/dbraw/zinc/32/85/30/1024328530.db2.gz BMLCUCFYXZPDTL-QGZVFWFLSA-N 1 0 325.481 4.479 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341706048 1024367105 /nfs/dbraw/zinc/36/71/05/1024367105.db2.gz GCWBURPBKXDDKB-GOSISDBHSA-N 1 0 334.891 4.184 20 30 EIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cc(C#N)ccn2)C1 ZINC000341722599 1024478100 /nfs/dbraw/zinc/47/81/00/1024478100.db2.gz OPBSYELMHIKHDT-CALCHBBNSA-N 1 0 334.467 4.043 20 30 EIEDRO [NH2+]=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000261978601 1024521802 /nfs/dbraw/zinc/52/18/02/1024521802.db2.gz HAVTWWVUIKATOE-TZIWHRDSSA-N 1 0 349.478 4.070 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(Br)cc1 ZINC000341761629 1024628622 /nfs/dbraw/zinc/62/86/22/1024628622.db2.gz RNLKBMFODFRJJP-GOSISDBHSA-N 1 0 341.252 4.488 20 30 EIEDRO C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)c1cccc(C#N)c1 ZINC000477919258 1024889388 /nfs/dbraw/zinc/88/93/88/1024889388.db2.gz XGDFNNKEHJXSRX-ZDUSSCGKSA-N 1 0 349.356 4.092 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc([S@](C)=O)cc1 ZINC000341889362 1024899885 /nfs/dbraw/zinc/89/98/85/1024899885.db2.gz RGDKTNLTCXSNPM-QRUVEDRTSA-N 1 0 338.476 4.024 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(CCc3ccc(O)cc3)CC2)s1 ZINC000535782980 1024940578 /nfs/dbraw/zinc/94/05/78/1024940578.db2.gz HGZCABLWUHQFQG-UHFFFAOYSA-N 1 0 326.465 4.170 20 30 EIEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000341892971 1024959916 /nfs/dbraw/zinc/95/99/16/1024959916.db2.gz XIJUGJHZXSWJKH-YJBOKZPZSA-N 1 0 349.906 4.025 20 30 EIEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000341892969 1024960507 /nfs/dbraw/zinc/96/05/07/1024960507.db2.gz XIJUGJHZXSWJKH-MAUKXSAKSA-N 1 0 349.906 4.025 20 30 EIEDRO N#Cc1ccc(C2=CCN(Cc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000341901267 1024976848 /nfs/dbraw/zinc/97/68/48/1024976848.db2.gz BYKXZBOYQKIDNS-UHFFFAOYSA-N 1 0 343.352 4.261 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000610812694 1025002195 /nfs/dbraw/zinc/00/21/95/1025002195.db2.gz JQBPOBKVXKMCEJ-KRWDZBQOSA-N 1 0 340.298 4.412 20 30 EIEDRO CCCCCc1ccc([C@H](CC)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000610812621 1025003605 /nfs/dbraw/zinc/00/36/05/1025003605.db2.gz DXHWRXBLNVUIRT-NRFANRHFSA-N 1 0 327.516 4.448 20 30 EIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1C ZINC000610829931 1025051524 /nfs/dbraw/zinc/05/15/24/1025051524.db2.gz SSBORQVFXTZFGH-NVXWUHKLSA-N 1 0 335.451 4.243 20 30 EIEDRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610829675 1025051655 /nfs/dbraw/zinc/05/16/55/1025051655.db2.gz DNQDBDRCGLJDII-KGLIPLIRSA-N 1 0 341.842 4.280 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cccc3ccccc32)c(C#N)c1C ZINC000120371028 1025061565 /nfs/dbraw/zinc/06/15/65/1025061565.db2.gz NZUWXTDUICPDSK-AWEZNQCLSA-N 1 0 347.418 4.211 20 30 EIEDRO Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1C[NH+](C)C ZINC000458269738 1025101691 /nfs/dbraw/zinc/10/16/91/1025101691.db2.gz RNIIHHAYWYZIBY-UHFFFAOYSA-N 1 0 335.451 4.110 20 30 EIEDRO Cn1c2ccccc2nc1C(C)(C)NCC#Cc1ccc(Cl)cc1 ZINC000473177636 1025111909 /nfs/dbraw/zinc/11/19/09/1025111909.db2.gz NSLJAJXRLKENAJ-UHFFFAOYSA-N 1 0 337.854 4.103 20 30 EIEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)[C@@H](c2ccco2)C1 ZINC000247710329 1025158989 /nfs/dbraw/zinc/15/89/89/1025158989.db2.gz ZYIPPDSSVYBYGI-UKRRQHHQSA-N 1 0 343.452 4.015 20 30 EIEDRO C[N@H+](Cc1ccccc1NCc1ccnc(C#N)c1)C1CCCCC1 ZINC000610956743 1025167500 /nfs/dbraw/zinc/16/75/00/1025167500.db2.gz YYPBOOKCPKLLPZ-UHFFFAOYSA-N 1 0 334.467 4.330 20 30 EIEDRO CC(C)[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccnc(C#N)c1 ZINC000610991249 1025220363 /nfs/dbraw/zinc/22/03/63/1025220363.db2.gz BDRCHQYLBRILIN-UHFFFAOYSA-N 1 0 333.357 4.383 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000278870637 1025229007 /nfs/dbraw/zinc/22/90/07/1025229007.db2.gz SPKOFJOKALKMMZ-IBGZPJMESA-N 1 0 328.456 4.219 20 30 EIEDRO C[C@H]1C[NH+](Cc2cccc(NCC(C)(C)CCC#N)c2)C[C@H](C)O1 ZINC000151179519 1025272199 /nfs/dbraw/zinc/27/21/99/1025272199.db2.gz PEQLSWZFRBWART-IRXDYDNUSA-N 1 0 329.488 4.038 20 30 EIEDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC001167499328 1025337177 /nfs/dbraw/zinc/33/71/77/1025337177.db2.gz GMIPXAYMWMAASO-UWJYYQICSA-N 1 0 347.462 4.012 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000892011568 1025397607 /nfs/dbraw/zinc/39/76/07/1025397607.db2.gz BUCKXEXYRFNOLL-SFHVURJKSA-N 1 0 346.883 4.219 20 30 EIEDRO C=CCOc1cccc(NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)c1 ZINC000303192254 1025482676 /nfs/dbraw/zinc/48/26/76/1025482676.db2.gz FVAJZQBAYBVCMR-FQEVSTJZSA-N 1 0 338.451 4.273 20 30 EIEDRO C=CCC[C@H]([NH2+]CCC(=O)N(C)CC)c1ccc(C(F)(F)F)cc1 ZINC000342221053 1025489215 /nfs/dbraw/zinc/48/92/15/1025489215.db2.gz JVYMXBNPKVEBHF-INIZCTEOSA-N 1 0 342.405 4.171 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(F)cc1F ZINC000119595661 1025550497 /nfs/dbraw/zinc/55/04/97/1025550497.db2.gz LUWOMZUCOJHEES-ORAYPTAESA-N 1 0 330.378 4.497 20 30 EIEDRO C=C(C)CN(CC)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000519184812 1025582568 /nfs/dbraw/zinc/58/25/68/1025582568.db2.gz KVHSCHUHVMIIKM-UHFFFAOYSA-N 1 0 329.488 4.145 20 30 EIEDRO N#Cc1cccc(OC2CCN(Cc3ccc(F)cc3Cl)CC2)c1 ZINC000519201635 1025592328 /nfs/dbraw/zinc/59/23/28/1025592328.db2.gz RLXGBYDIERLGGF-UHFFFAOYSA-N 1 0 344.817 4.394 20 30 EIEDRO CCCOc1ccc(C[N@H+](CCC)Cc2ccc(C#N)o2)cc1OC ZINC000506804607 1025778130 /nfs/dbraw/zinc/77/81/30/1025778130.db2.gz HOSCMAVEXHOQDK-UHFFFAOYSA-N 1 0 342.439 4.361 20 30 EIEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926351675 1025794279 /nfs/dbraw/zinc/79/42/79/1025794279.db2.gz RPSNXTFWWQDPLM-SJORKVTESA-N 1 0 349.519 4.250 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000187721239 1025843533 /nfs/dbraw/zinc/84/35/33/1025843533.db2.gz GKOXGXKDCULORC-CJNGLKHVSA-N 1 0 348.372 4.172 20 30 EIEDRO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000438128284 1025887070 /nfs/dbraw/zinc/88/70/70/1025887070.db2.gz OCSIQYNPYZMSPH-ZLNRFVROSA-N 1 0 346.474 4.442 20 30 EIEDRO Cc1cc(-c2noc([C@H]3CCC[NH2+][C@H]3c3ccccc3)n2)ccc1C#N ZINC001211849628 1025896694 /nfs/dbraw/zinc/89/66/94/1025896694.db2.gz UAFHFZBPGKKYSN-OALUTQOASA-N 1 0 344.418 4.125 20 30 EIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC001167540276 1026000866 /nfs/dbraw/zinc/00/08/66/1026000866.db2.gz YDEWVGKERTUBIR-RTBURBONSA-N 1 0 330.447 4.257 20 30 EIEDRO Cc1cc(C(=O)CN(Cc2ccc(C#N)cc2)C2CC2)c(C)n1C1CC1 ZINC000344143196 1026060254 /nfs/dbraw/zinc/06/02/54/1026060254.db2.gz MRLFPFNHKJBGKP-UHFFFAOYSA-N 1 0 347.462 4.159 20 30 EIEDRO COc1cccc(-c2csc(C[NH2+]CC(C)(C)CCC#N)n2)c1 ZINC000894513145 1026105497 /nfs/dbraw/zinc/10/54/97/1026105497.db2.gz DIBQCMGPNQNBSH-UHFFFAOYSA-N 1 0 329.469 4.238 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccnn1CC1CCC1 ZINC000926369105 1026111121 /nfs/dbraw/zinc/11/11/21/1026111121.db2.gz AZECEULTQKDQTL-CYBMUJFWSA-N 1 0 328.847 4.059 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@H]1C ZINC000512154750 1026163520 /nfs/dbraw/zinc/16/35/20/1026163520.db2.gz OZSGYLRAOCENLY-HZPDHXFCSA-N 1 0 345.512 4.141 20 30 EIEDRO C=C(C)C[N@H+](CCc1c(F)cccc1Cl)Cc1ccc(CO)o1 ZINC000512168429 1026205323 /nfs/dbraw/zinc/20/53/23/1026205323.db2.gz UVELRDQHBMMXAP-UHFFFAOYSA-N 1 0 337.822 4.185 20 30 EIEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(C(F)(F)F)cc1 ZINC000551555373 1026217698 /nfs/dbraw/zinc/21/76/98/1026217698.db2.gz WLSCCWLCDOAQKX-LBPRGKRZSA-N 1 0 344.340 4.076 20 30 EIEDRO C=CCCOCC[NH2+][C@H](CC)c1cc(F)cc(Br)c1 ZINC000344340248 1026251412 /nfs/dbraw/zinc/25/14/12/1026251412.db2.gz YAVSMIRVPZYOID-OAHLLOKOSA-N 1 0 330.241 4.222 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000609494853 1026313721 /nfs/dbraw/zinc/31/37/21/1026313721.db2.gz OCBFEWQIUZJCME-KRWDZBQOSA-N 1 0 329.831 4.444 20 30 EIEDRO CCCC1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC001167554963 1026330742 /nfs/dbraw/zinc/33/07/42/1026330742.db2.gz WEIQHLBZPUXEFR-UHFFFAOYSA-N 1 0 341.499 4.062 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)nc1 ZINC000934350638 1026338650 /nfs/dbraw/zinc/33/86/50/1026338650.db2.gz WOAFGBRMSAIIHQ-HXUWFJFHSA-N 1 0 335.451 4.228 20 30 EIEDRO CC(C)(C)c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000067011126 1026386342 /nfs/dbraw/zinc/38/63/42/1026386342.db2.gz FEZXXEYXSWDVQS-UHFFFAOYSA-N 1 0 348.494 4.009 20 30 EIEDRO C=C(C)COc1cc(C[N@H+](CC)Cc2ccncc2)ccc1OC ZINC000348902456 1026401098 /nfs/dbraw/zinc/40/10/98/1026401098.db2.gz CZDWQPAEUPHPNA-UHFFFAOYSA-N 1 0 326.440 4.067 20 30 EIEDRO CC(C)N1CC[C@@H]([NH2+]CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279379067 1026402820 /nfs/dbraw/zinc/40/28/20/1026402820.db2.gz XTFKYOPSJSSCBN-MSOLQXFVSA-N 1 0 337.870 4.286 20 30 EIEDRO C=C(C)C[N@H+](CCCc1ccc(Cl)cc1)Cc1ccc(CO)o1 ZINC000512197063 1026406539 /nfs/dbraw/zinc/40/65/39/1026406539.db2.gz RHENZVNIWDVMPU-UHFFFAOYSA-N 1 0 333.859 4.436 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000119732230 1026409801 /nfs/dbraw/zinc/40/98/01/1026409801.db2.gz AHGHJSFWRHNBRN-KRWDZBQOSA-N 1 0 333.435 4.288 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000582329280 1026457125 /nfs/dbraw/zinc/45/71/25/1026457125.db2.gz ITAVKIZOEITPIJ-HXUWFJFHSA-N 1 0 345.490 4.125 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1Cl ZINC000611589141 1026486650 /nfs/dbraw/zinc/48/66/50/1026486650.db2.gz RIQSWMKMDAVYFW-SGTLLEGYSA-N 1 0 332.806 4.389 20 30 EIEDRO C=CCC(C)(C)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000432559006 1026524423 /nfs/dbraw/zinc/52/44/23/1026524423.db2.gz QFSMGPPHUKJZTF-DOTOQJQBSA-N 1 0 349.544 4.033 20 30 EIEDRO C=CCc1cc(C[N@H+](CC)Cc2ccc(OC)cc2)cc(OC)c1O ZINC000506995380 1026581882 /nfs/dbraw/zinc/58/18/82/1026581882.db2.gz QVRQKFHHCGTENJ-UHFFFAOYSA-N 1 0 341.451 4.160 20 30 EIEDRO CC[N@H+](Cc1cc(C#N)cs1)Cc1cccc(Br)c1 ZINC000507187876 1026682373 /nfs/dbraw/zinc/68/23/73/1026682373.db2.gz MVMCPDZWNJTUQX-UHFFFAOYSA-N 1 0 335.270 4.404 20 30 EIEDRO CCC1(CC)[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[C@@H]1OC ZINC000345005879 1026750257 /nfs/dbraw/zinc/75/02/57/1026750257.db2.gz CICUSMYMBXHUFT-OALUTQOASA-N 1 0 330.472 4.052 20 30 EIEDRO CC1(c2ccc(Br)cc2)CC[NH+](CCCCC#N)CC1 ZINC000440498646 1026775622 /nfs/dbraw/zinc/77/56/22/1026775622.db2.gz KMVYWJZWAAVZRU-UHFFFAOYSA-N 1 0 335.289 4.496 20 30 EIEDRO N#Cc1cc(F)c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(F)c1 ZINC000500502107 1026804226 /nfs/dbraw/zinc/80/42/26/1026804226.db2.gz JDUVJOHWFWISLM-SFHVURJKSA-N 1 0 327.378 4.085 20 30 EIEDRO COc1ccccc1COC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000277721007 1026835218 /nfs/dbraw/zinc/83/52/18/1026835218.db2.gz NKACSHPIMUOEJW-UHFFFAOYSA-N 1 0 344.499 4.396 20 30 EIEDRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000479569671 1026841991 /nfs/dbraw/zinc/84/19/91/1026841991.db2.gz WBYYFYXSBXRUIK-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO COC[C@@H](Cc1ccccc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507613334 1026854122 /nfs/dbraw/zinc/85/41/22/1026854122.db2.gz PZEJGJQJHUZKGU-OOMBGRCJSA-N 1 0 348.490 4.238 20 30 EIEDRO C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cc2ccccc2o1 ZINC000342700031 1026858129 /nfs/dbraw/zinc/85/81/29/1026858129.db2.gz JTRIAXNOKMMXHE-CYBMUJFWSA-N 1 0 344.374 4.205 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1OC ZINC000668628827 1026863184 /nfs/dbraw/zinc/86/31/84/1026863184.db2.gz GMWBQOXXOKDRFJ-IBGZPJMESA-N 1 0 345.483 4.041 20 30 EIEDRO Cc1nsc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)c1C#N ZINC000339971382 1026863458 /nfs/dbraw/zinc/86/34/58/1026863458.db2.gz SNPWHLKDLXQYMF-CQSZACIVSA-N 1 0 340.496 4.310 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277749602 1026868013 /nfs/dbraw/zinc/86/80/13/1026868013.db2.gz IXFZBMZIHNWPAT-WFASDCNBSA-N 1 0 348.372 4.241 20 30 EIEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000280788392 1026890448 /nfs/dbraw/zinc/89/04/48/1026890448.db2.gz QFKKIDXZQLSCFM-UHFFFAOYSA-N 1 0 337.423 4.088 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)NC(C)(C)C ZINC000543862011 1026908983 /nfs/dbraw/zinc/90/89/83/1026908983.db2.gz CGHDXHUUBOYMPC-HOTGVXAUSA-N 1 0 349.478 4.179 20 30 EIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(C#N)s1 ZINC000158715569 1026930055 /nfs/dbraw/zinc/93/00/55/1026930055.db2.gz YDEXZZLXXSVBFS-INIZCTEOSA-N 1 0 335.860 4.005 20 30 EIEDRO COCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000342808275 1027085980 /nfs/dbraw/zinc/08/59/80/1027085980.db2.gz AZPPSUDEVFNHSQ-FFSVYQOJSA-N 1 0 327.255 4.353 20 30 EIEDRO Cc1cccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1C ZINC000507731407 1027107992 /nfs/dbraw/zinc/10/79/92/1027107992.db2.gz IXSMKZKOWDULKD-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301900635 1027143309 /nfs/dbraw/zinc/14/33/09/1027143309.db2.gz ZHTTVDCICVIGLE-UHFFFAOYSA-N 1 0 347.459 4.225 20 30 EIEDRO COC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000925097866 1027292218 /nfs/dbraw/zinc/29/22/18/1027292218.db2.gz RDIGHSPLKNKQMQ-SWLSCSKDSA-N 1 0 328.378 4.311 20 30 EIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(OC3CC3)c2F)c1 ZINC000657620724 1027318621 /nfs/dbraw/zinc/31/86/21/1027318621.db2.gz LHGNWXBOXACJPS-UHFFFAOYSA-N 1 0 327.399 4.222 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000520227128 1027349825 /nfs/dbraw/zinc/34/98/25/1027349825.db2.gz GSRJLELGLRNZKP-UHFFFAOYSA-N 1 0 328.431 4.216 20 30 EIEDRO C[C@@H](O)C[N@H+](CCCC(C)(C)C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441259215 1027393192 /nfs/dbraw/zinc/39/31/92/1027393192.db2.gz UOPRGMIUUJAANH-JKSUJKDBSA-N 1 0 336.907 4.284 20 30 EIEDRO COc1ccccc1C[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(C)C ZINC000428350865 1027434073 /nfs/dbraw/zinc/43/40/73/1027434073.db2.gz ZIEZLOPAMITGBH-LJQANCHMSA-N 1 0 326.415 4.063 20 30 EIEDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nc(-c2ccccc2)ccc1C#N ZINC001167624242 1027455048 /nfs/dbraw/zinc/45/50/48/1027455048.db2.gz QTAUZCNCHJDSOQ-UHFFFAOYSA-N 1 0 334.467 4.105 20 30 EIEDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2cc(C#N)c(C#N)cc2c1 ZINC001167626319 1027493142 /nfs/dbraw/zinc/49/31/42/1027493142.db2.gz GEKMVFWNKCRVMB-UHFFFAOYSA-N 1 0 332.451 4.068 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000185617763 1027514678 /nfs/dbraw/zinc/51/46/78/1027514678.db2.gz LKNACDBDSQKLKN-UHFFFAOYSA-N 1 0 332.378 4.360 20 30 EIEDRO Fc1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1F ZINC000237738871 1027527953 /nfs/dbraw/zinc/52/79/53/1027527953.db2.gz SYNVBPIMNKXYFE-UHFFFAOYSA-N 1 0 325.280 4.125 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](Cc4nccs4)C3)cc2)CC1 ZINC000896527215 1027548253 /nfs/dbraw/zinc/54/82/53/1027548253.db2.gz DDITXBPKGOACIJ-KRWDZBQOSA-N 1 0 337.492 4.153 20 30 EIEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2nc3ccccc3o2)C1 ZINC000329147205 1027609030 /nfs/dbraw/zinc/60/90/30/1027609030.db2.gz XQKUGDZYMLOOSA-HNNXBMFYSA-N 1 0 343.471 4.227 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894964638 1027612139 /nfs/dbraw/zinc/61/21/39/1027612139.db2.gz UEHLMPUDUYOCGH-KRWDZBQOSA-N 1 0 341.798 4.287 20 30 EIEDRO C[C@H]([NH2+]C1(CNC(=O)C2CC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000329156985 1027613871 /nfs/dbraw/zinc/61/38/71/1027613871.db2.gz CYNSMZHJQTXCNL-INIZCTEOSA-N 1 0 344.499 4.279 20 30 EIEDRO CC(C)c1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)nn1C(C)(C)C ZINC000329200783 1027646309 /nfs/dbraw/zinc/64/63/09/1027646309.db2.gz XKCORTARRAUQQI-OAHLLOKOSA-N 1 0 346.519 4.083 20 30 EIEDRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC2CCC2)C1)C1CCCC1 ZINC000329371610 1027755189 /nfs/dbraw/zinc/75/51/89/1027755189.db2.gz JAMUEWGKJFBQQX-MRXNPFEDSA-N 1 0 330.476 4.167 20 30 EIEDRO Fc1cnccc1C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F ZINC000657705945 1027766096 /nfs/dbraw/zinc/76/60/96/1027766096.db2.gz HQFNFYMIAYNSBC-UHFFFAOYSA-N 1 0 332.263 4.364 20 30 EIEDRO CCc1ccc(NC(=[NH2+])NC[C@@H](OC)c2ccccc2Cl)cc1 ZINC000305089963 1027773203 /nfs/dbraw/zinc/77/32/03/1027773203.db2.gz ZRZZTGHYWUMVTL-QGZVFWFLSA-N 1 0 331.847 4.017 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)ccc1OCC(C)C ZINC000185770448 1027787576 /nfs/dbraw/zinc/78/75/76/1027787576.db2.gz VVZRREWXHYXICI-BQFCYCMXSA-N 1 0 330.472 4.463 20 30 EIEDRO [NH2+]=C(NCc1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F ZINC000305231423 1027792169 /nfs/dbraw/zinc/79/21/69/1027792169.db2.gz MCUMACLKUBIMHM-UHFFFAOYSA-N 1 0 343.736 4.165 20 30 EIEDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1coc(C2CCCC2)n1 ZINC000328693318 1027796972 /nfs/dbraw/zinc/79/69/72/1027796972.db2.gz JOIGCEBDZSTCNF-UHFFFAOYSA-N 1 0 345.487 4.291 20 30 EIEDRO CCOc1cc2c(cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C)O[C@H](C)C2 ZINC000328753404 1027803676 /nfs/dbraw/zinc/80/36/76/1027803676.db2.gz DGQIZKMAJZAKKY-LSDHHAIUSA-N 1 0 346.471 4.261 20 30 EIEDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1coc(C2CCCCC2)n1 ZINC000328758808 1027804072 /nfs/dbraw/zinc/80/40/72/1027804072.db2.gz WGAUOBACIDHXMN-OAHLLOKOSA-N 1 0 331.460 4.044 20 30 EIEDRO C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000329470519 1027805631 /nfs/dbraw/zinc/80/56/31/1027805631.db2.gz YXJLZLUBILREMJ-YOEHRIQHSA-N 1 0 338.455 4.155 20 30 EIEDRO CC1(C)CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)(C(N)=O)CC1 ZINC000328877117 1027824921 /nfs/dbraw/zinc/82/49/21/1027824921.db2.gz IJDQABISBYKBTL-OAHLLOKOSA-N 1 0 349.519 4.472 20 30 EIEDRO C=CCc1cc(C[NH2+]C2CCC3(CC3(F)F)CC2)cc(OC)c1O ZINC000657715614 1027834056 /nfs/dbraw/zinc/83/40/56/1027834056.db2.gz BMVBDURRTNBXFL-UHFFFAOYSA-N 1 0 337.410 4.187 20 30 EIEDRO Cc1nc(C(C)C)oc1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000328961845 1027838704 /nfs/dbraw/zinc/83/87/04/1027838704.db2.gz QGZHSXNZTWXRIC-UHFFFAOYSA-N 1 0 347.503 4.454 20 30 EIEDRO N#CC1(CCC[NH+]2CCC(CCc3ccccc3)CC2)CCOCC1 ZINC000282017979 1027839593 /nfs/dbraw/zinc/83/95/93/1027839593.db2.gz OZRLIPVKAWKBTP-UHFFFAOYSA-N 1 0 340.511 4.432 20 30 EIEDRO CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1C(C)C ZINC000330391360 1027849799 /nfs/dbraw/zinc/84/97/99/1027849799.db2.gz HQMIKVXERLHWGG-ZIAGYGMSSA-N 1 0 347.503 4.074 20 30 EIEDRO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C(C)C ZINC000330398962 1027851084 /nfs/dbraw/zinc/85/10/84/1027851084.db2.gz RBNDZUVVMOCARE-KGLIPLIRSA-N 1 0 347.503 4.074 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000162344679 1027872070 /nfs/dbraw/zinc/87/20/70/1027872070.db2.gz WRHRVIHSEDAZJH-HRCADAONSA-N 1 0 345.512 4.188 20 30 EIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000330896621 1027899568 /nfs/dbraw/zinc/89/95/68/1027899568.db2.gz LPRTXHRHOYAWFS-OAHLLOKOSA-N 1 0 347.459 4.108 20 30 EIEDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000330981312 1027910658 /nfs/dbraw/zinc/91/06/58/1027910658.db2.gz VKSMHWAQWTZDPH-UHFFFAOYSA-N 1 0 344.286 4.143 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000444651736 1027918666 /nfs/dbraw/zinc/91/86/66/1027918666.db2.gz RVVZSOVAKMMHBC-KRWDZBQOSA-N 1 0 330.447 4.440 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000444651737 1027920698 /nfs/dbraw/zinc/92/06/98/1027920698.db2.gz RVVZSOVAKMMHBC-QGZVFWFLSA-N 1 0 330.447 4.440 20 30 EIEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)CCN1CCCCC(C)(C)C#N ZINC000444642061 1027936151 /nfs/dbraw/zinc/93/61/51/1027936151.db2.gz QKQLVVPAVHOKDX-LJQANCHMSA-N 1 0 346.563 4.433 20 30 EIEDRO CC(C)(C)c1cnc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000331251426 1027947698 /nfs/dbraw/zinc/94/76/98/1027947698.db2.gz PDZVOBHSGXSMOC-UHFFFAOYSA-N 1 0 338.521 4.029 20 30 EIEDRO COC(C)(C)C[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000583077938 1027962440 /nfs/dbraw/zinc/96/24/40/1027962440.db2.gz DTXADOSEMSRYKM-UHFFFAOYSA-N 1 0 336.479 4.243 20 30 EIEDRO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CCCC[C@H]1C ZINC000444683085 1027966081 /nfs/dbraw/zinc/96/60/81/1027966081.db2.gz WULBGIWDVUWDOQ-MLGOLLRUSA-N 1 0 333.501 4.076 20 30 EIEDRO CC[C@@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1nccs1 ZINC000329677714 1027969011 /nfs/dbraw/zinc/96/90/11/1027969011.db2.gz PZLHHRZACRDKIK-GNFNDJEDSA-N 1 0 333.501 4.109 20 30 EIEDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000444753682 1028040335 /nfs/dbraw/zinc/04/03/35/1028040335.db2.gz PPTQWPFOYMTYTF-QGZVFWFLSA-N 1 0 337.467 4.106 20 30 EIEDRO CC1CCC([N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]2CCCO2)CC1 ZINC000441463992 1028099270 /nfs/dbraw/zinc/09/92/70/1028099270.db2.gz HBAKPISZMJUSBA-PPSBMQLTSA-N 1 0 330.447 4.257 20 30 EIEDRO C[C@H](C(=O)Nc1csc(-c2ccccn2)n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329764323 1028116489 /nfs/dbraw/zinc/11/64/89/1028116489.db2.gz VOWAOTDDXGTUKB-FRRDWIJNSA-N 1 0 330.457 4.054 20 30 EIEDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)CC1 ZINC000329872841 1028145512 /nfs/dbraw/zinc/14/55/12/1028145512.db2.gz BSXPXMPWZKAZKW-KNXWPPODSA-N 1 0 349.519 4.328 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)C(=O)Nc1ccc(F)cc1Cl ZINC000329895327 1028148482 /nfs/dbraw/zinc/14/84/82/1028148482.db2.gz BUWSAXLXRNSHHZ-SFXCNKRSSA-N 1 0 340.826 4.003 20 30 EIEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC12CCC2 ZINC000329969136 1028169755 /nfs/dbraw/zinc/16/97/55/1028169755.db2.gz XCEKLMQFZJSFPF-UHFFFAOYSA-N 1 0 338.455 4.096 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C2CC2)cc1 ZINC000237273683 1028194533 /nfs/dbraw/zinc/19/45/33/1028194533.db2.gz PXCGCZULPJFUJE-BTYIYWSLSA-N 1 0 336.435 4.227 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)CSc2ccc(C)cc2)ccc1C#N ZINC000440611688 1028203201 /nfs/dbraw/zinc/20/32/01/1028203201.db2.gz LFKXCSRROLHXIQ-HNNXBMFYSA-N 1 0 326.465 4.146 20 30 EIEDRO COc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)ccc1C#N ZINC000440611308 1028206022 /nfs/dbraw/zinc/20/60/22/1028206022.db2.gz NXWYYSVPNDMXAK-UHFFFAOYSA-N 1 0 342.389 4.404 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000523564944 1028237722 /nfs/dbraw/zinc/23/77/22/1028237722.db2.gz DVZZJTQCXUDHSO-UHFFFAOYSA-N 1 0 328.500 4.491 20 30 EIEDRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)c(Cl)c1 ZINC000330253438 1028237711 /nfs/dbraw/zinc/23/77/11/1028237711.db2.gz IWJFXQAITCMOHF-XGWLTEMNSA-N 1 0 336.863 4.090 20 30 EIEDRO COc1cccc2sc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)nc21 ZINC000330290672 1028268711 /nfs/dbraw/zinc/26/87/11/1028268711.db2.gz GAOTTYSDDGPIDA-LBPRGKRZSA-N 1 0 333.457 4.157 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cc(-n4ccnc4)cs3)CC2)cc1 ZINC000346169667 1028306178 /nfs/dbraw/zinc/30/61/78/1028306178.db2.gz MOBKVDZVGZFWMX-UHFFFAOYSA-N 1 0 346.459 4.095 20 30 EIEDRO CC(C)([NH2+]CCCC1(C#N)CCOCC1)c1cccc(Cl)c1F ZINC000281178009 1028417000 /nfs/dbraw/zinc/41/70/00/1028417000.db2.gz AQTGARDPCBXEDJ-UHFFFAOYSA-N 1 0 338.854 4.404 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)c1 ZINC000523863657 1028434709 /nfs/dbraw/zinc/43/47/09/1028434709.db2.gz VLLWABOCFUTDPD-IBGZPJMESA-N 1 0 340.442 4.149 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000150887949 1028458646 /nfs/dbraw/zinc/45/86/46/1028458646.db2.gz CLKSEGODHLCZFP-CYBMUJFWSA-N 1 0 333.501 4.341 20 30 EIEDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001307481216 1028484558 /nfs/dbraw/zinc/48/45/58/1028484558.db2.gz ZZHDXJPKZMSEJS-MRRJBJDNSA-N 1 0 333.273 4.474 20 30 EIEDRO CCc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611764645 1028493634 /nfs/dbraw/zinc/49/36/34/1028493634.db2.gz SEIJKBUKWBDDFP-INIZCTEOSA-N 1 0 344.462 4.372 20 30 EIEDRO Cc1ccc([C@@H]([NH2+]CCCC2(C#N)CCOCC2)c2ccccn2)cc1 ZINC000281446799 1028622547 /nfs/dbraw/zinc/62/25/47/1028622547.db2.gz UIMCWVBWYCAKHG-OAQYLSRUSA-N 1 0 349.478 4.170 20 30 EIEDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000583430041 1028719507 /nfs/dbraw/zinc/71/95/07/1028719507.db2.gz GKOVVZRWCCPRJH-YWZLYKJASA-N 1 0 344.462 4.423 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1OCCCC#N ZINC000127379858 1028776393 /nfs/dbraw/zinc/77/63/93/1028776393.db2.gz MQRQDNPTWKUPQC-SFHVURJKSA-N 1 0 339.439 4.043 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000583499458 1028821048 /nfs/dbraw/zinc/82/10/48/1028821048.db2.gz IIMABIUCGBPNLV-AWEZNQCLSA-N 1 0 348.475 4.430 20 30 EIEDRO C=C(C)CCC(=O)N(CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001125682555 1028893828 /nfs/dbraw/zinc/89/38/28/1028893828.db2.gz OVVUDEDUPVSEDI-FQEVSTJZSA-N 1 0 328.500 4.246 20 30 EIEDRO N#CC1(CCC[NH2+]C2(c3ccc(Cl)cc3)CCC2)CCOCC1 ZINC000281908095 1028933573 /nfs/dbraw/zinc/93/35/73/1028933573.db2.gz GIARXLMSINUYDJ-UHFFFAOYSA-N 1 0 332.875 4.409 20 30 EIEDRO CCC[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCc2ccccc2C1 ZINC000281910263 1028935302 /nfs/dbraw/zinc/93/53/02/1028935302.db2.gz GKNOBQMILZEVPB-OAQYLSRUSA-N 1 0 340.511 4.356 20 30 EIEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000245954223 1028961637 /nfs/dbraw/zinc/96/16/37/1028961637.db2.gz LNEJWKGGTOUQTH-JLSDUUJJSA-N 1 0 338.455 4.159 20 30 EIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281991932 1029046107 /nfs/dbraw/zinc/04/61/07/1029046107.db2.gz MUNQSXVLNXDXBN-HXUWFJFHSA-N 1 0 328.500 4.349 20 30 EIEDRO Cc1ccc([C@@H](CNc2cc(Cl)ccc2C#N)[NH+]2CCCC2)o1 ZINC000522935066 1029108891 /nfs/dbraw/zinc/10/88/91/1029108891.db2.gz YGPWBHOSMPAKBY-QGZVFWFLSA-N 1 0 329.831 4.362 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000522981669 1029143988 /nfs/dbraw/zinc/14/39/88/1029143988.db2.gz AIYIQUUVOFNXAL-GOSISDBHSA-N 1 0 343.515 4.026 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](Cc1ccc(C)s1)C(C)C ZINC000524907391 1029321978 /nfs/dbraw/zinc/32/19/78/1029321978.db2.gz BLSQPTGCPQWSFV-UHFFFAOYSA-N 1 0 344.480 4.226 20 30 EIEDRO C=C[C@H](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000536165189 1029393502 /nfs/dbraw/zinc/39/35/02/1029393502.db2.gz IFFLSOMVVZIMKW-KNQAVFIVSA-N 1 0 348.490 4.300 20 30 EIEDRO Cc1ccc([C@@H](CNc2ncc(Cl)c(C)c2C#N)[NH+]2CCCC2)o1 ZINC000343530502 1029449605 /nfs/dbraw/zinc/44/96/05/1029449605.db2.gz ODFKNMLBKXFPMA-MRXNPFEDSA-N 1 0 344.846 4.066 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)ccc1OC ZINC000475288009 1029500771 /nfs/dbraw/zinc/50/07/71/1029500771.db2.gz QHJDFKPSCQRLTC-ZFWWWQNUSA-N 1 0 343.389 4.423 20 30 EIEDRO CCCc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000428449539 1029505417 /nfs/dbraw/zinc/50/54/17/1029505417.db2.gz UFQBIIBYVQVHKH-UHFFFAOYSA-N 1 0 325.456 4.465 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)cc1Cl ZINC000657819297 1029537017 /nfs/dbraw/zinc/53/70/17/1029537017.db2.gz STNNUQRWOKCJEM-AUUYWEPGSA-N 1 0 331.843 4.117 20 30 EIEDRO N#CCCC1CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000584050922 1029574630 /nfs/dbraw/zinc/57/46/30/1029574630.db2.gz VLOXGSOYURHBOQ-UHFFFAOYSA-N 1 0 335.451 4.176 20 30 EIEDRO CC(C)[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1CCC1 ZINC000193211214 1029589032 /nfs/dbraw/zinc/58/90/32/1029589032.db2.gz CAMJPEQVPNYOCC-UHFFFAOYSA-N 1 0 337.467 4.248 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@H](C)c2cccc(C)c2)cc(OC)c1O ZINC000525459970 1029643745 /nfs/dbraw/zinc/64/37/45/1029643745.db2.gz FRFHWVFGMCZTCR-INIZCTEOSA-N 1 0 325.452 4.331 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1 ZINC000278658507 1029655767 /nfs/dbraw/zinc/65/57/67/1029655767.db2.gz QHCJGZUGENZSGC-SWLSCSKDSA-N 1 0 329.831 4.353 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1ccc(C#N)cc1 ZINC000278725337 1029741282 /nfs/dbraw/zinc/74/12/82/1029741282.db2.gz MJGKCKFEGNYKPT-GOSISDBHSA-N 1 0 330.378 4.443 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000584439699 1029870080 /nfs/dbraw/zinc/87/00/80/1029870080.db2.gz JCGLRRSEPCEVST-FQEVSTJZSA-N 1 0 348.446 4.291 20 30 EIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000441256648 1030077842 /nfs/dbraw/zinc/07/78/42/1030077842.db2.gz NPIAYZSKOYBCBL-IBGZPJMESA-N 1 0 344.418 4.254 20 30 EIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000282029545 1030093142 /nfs/dbraw/zinc/09/31/42/1030093142.db2.gz PWXKJNCZKCFEHP-CQSZACIVSA-N 1 0 340.389 4.457 20 30 EIEDRO C#CCCCCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367383036 1030099473 /nfs/dbraw/zinc/09/94/73/1030099473.db2.gz AZGQXSDKDFYXOF-PXNSSMCTSA-N 1 0 346.902 4.033 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447516757 1030111977 /nfs/dbraw/zinc/11/19/77/1030111977.db2.gz HUNRUIQNUZRKGK-RTBURBONSA-N 1 0 339.508 4.498 20 30 EIEDRO CCC[C@@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000447540275 1030145263 /nfs/dbraw/zinc/14/52/63/1030145263.db2.gz BZWJKIGMHCMCIM-ZWKOTPCHSA-N 1 0 333.439 4.183 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000447544425 1030147756 /nfs/dbraw/zinc/14/77/56/1030147756.db2.gz OLIQEIGGCWOURV-QGZVFWFLSA-N 1 0 342.826 4.224 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447563754 1030174969 /nfs/dbraw/zinc/17/49/69/1030174969.db2.gz SDYZOGDVNAHXHP-QHCPKHFHSA-N 1 0 347.506 4.306 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(C#N)cc1 ZINC000447597844 1030199414 /nfs/dbraw/zinc/19/94/14/1030199414.db2.gz TYJWTTAZGRUPKM-GOSISDBHSA-N 1 0 326.827 4.387 20 30 EIEDRO C[C@@H](Cc1ccsc1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000525998049 1030202702 /nfs/dbraw/zinc/20/27/02/1030202702.db2.gz CQTRGNNDSYAYQD-HNNXBMFYSA-N 1 0 326.465 4.094 20 30 EIEDRO C=CCn1c(SCCC[NH+](CC)CC)nnc1-c1ccc(C)cc1 ZINC000526002824 1030204975 /nfs/dbraw/zinc/20/49/75/1030204975.db2.gz BSZDZJOTICIEQN-UHFFFAOYSA-N 1 0 344.528 4.264 20 30 EIEDRO CC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606176 1030317594 /nfs/dbraw/zinc/31/75/94/1030317594.db2.gz UVLPBZAHJLEYPX-INIZCTEOSA-N 1 0 348.425 4.466 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCOc2ccccc21 ZINC000685443129 1030317845 /nfs/dbraw/zinc/31/78/45/1030317845.db2.gz IHCIRQPPAYBXFQ-IBGZPJMESA-N 1 0 339.483 4.408 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1c(C)oc2ccccc21 ZINC000685442325 1030320648 /nfs/dbraw/zinc/32/06/48/1030320648.db2.gz BHJQUVHWADALCB-UHFFFAOYSA-N 1 0 325.408 4.405 20 30 EIEDRO C[C@@H](NC(=[NH2+])NCC1CC(F)(F)C1)c1ccc(Cl)cc1Cl ZINC000262708084 1030333484 /nfs/dbraw/zinc/33/34/84/1030333484.db2.gz NVTFUWUQPSZQBB-MRVPVSSYSA-N 1 0 336.213 4.004 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(c3cccnc3)CC2)cc1OC ZINC000685456396 1030334578 /nfs/dbraw/zinc/33/45/78/1030334578.db2.gz RKWCFKUMVJVOEN-UHFFFAOYSA-N 1 0 338.451 4.035 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000393764169 1030397842 /nfs/dbraw/zinc/39/78/42/1030397842.db2.gz BJJJPDRPPCKLRJ-ZDUSSCGKSA-N 1 0 340.261 4.055 20 30 EIEDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccccc1C(F)(F)F ZINC000527049153 1030438101 /nfs/dbraw/zinc/43/81/01/1030438101.db2.gz UPJHPEBZSBBUAV-VIFPVBQESA-N 1 0 347.274 4.273 20 30 EIEDRO COC[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CCCC1 ZINC000527109997 1030474171 /nfs/dbraw/zinc/47/41/71/1030474171.db2.gz ZFSJKODPCCKYEK-MHJFOBGBSA-N 1 0 342.483 4.043 20 30 EIEDRO C=CCC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000530552876 1030532840 /nfs/dbraw/zinc/53/28/40/1030532840.db2.gz PKQFERXDJPOYKH-QGZVFWFLSA-N 1 0 331.257 4.294 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000657918562 1030586688 /nfs/dbraw/zinc/58/66/88/1030586688.db2.gz FFZJJTOFCQVJLM-RDJZCZTQSA-N 1 0 327.497 4.472 20 30 EIEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCC(C)(C)C#N ZINC000527299063 1030620929 /nfs/dbraw/zinc/62/09/29/1030620929.db2.gz FYBCOAGZMANZQN-LLVKDONJSA-N 1 0 325.250 4.048 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000191425971 1030621547 /nfs/dbraw/zinc/62/15/47/1030621547.db2.gz GEKBPMZOYCTXSQ-UHFFFAOYSA-N 1 0 343.515 4.392 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc1OC ZINC000191663205 1030634539 /nfs/dbraw/zinc/63/45/39/1030634539.db2.gz DHOSZZZWDBXAJH-SFHVURJKSA-N 1 0 339.435 4.133 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000527484842 1030699026 /nfs/dbraw/zinc/69/90/26/1030699026.db2.gz OEPDXBKSLBUIEG-CQSZACIVSA-N 1 0 349.459 4.452 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000658007207 1030758521 /nfs/dbraw/zinc/75/85/21/1030758521.db2.gz YRBSVYAWFKYVDJ-NEWSRXKRSA-N 1 0 327.472 4.017 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000658036657 1030797797 /nfs/dbraw/zinc/79/77/97/1030797797.db2.gz AASXJMWQSHXXSH-RBOXIYTFSA-N 1 0 347.808 4.471 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Oc1ccccc1F ZINC000176990496 1030832707 /nfs/dbraw/zinc/83/27/07/1030832707.db2.gz YAELZWBOTCEFBR-RDJZCZTQSA-N 1 0 342.414 4.064 20 30 EIEDRO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000127604782 1030838177 /nfs/dbraw/zinc/83/81/77/1030838177.db2.gz RUEYKFOFDPGLSQ-ULQDDVLXSA-N 1 0 349.478 4.037 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc(Cl)c3)CCOCC2)cc1 ZINC000527809819 1030856817 /nfs/dbraw/zinc/85/68/17/1030856817.db2.gz GUTYJUKEFZINHY-UHFFFAOYSA-N 1 0 326.827 4.007 20 30 EIEDRO N#Cc1ccc(CCNc2ccc(SC3CC[NH2+]CC3)cc2)cc1 ZINC001167682684 1030881362 /nfs/dbraw/zinc/88/13/62/1030881362.db2.gz NQLQPAZTAWGDAZ-UHFFFAOYSA-N 1 0 337.492 4.057 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000612112995 1030890675 /nfs/dbraw/zinc/89/06/75/1030890675.db2.gz UZKBXUWOSFQZJC-UHFFFAOYSA-N 1 0 338.426 4.073 20 30 EIEDRO C[C@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC001126713062 1031042910 /nfs/dbraw/zinc/04/29/10/1031042910.db2.gz OEWSANAQZWTRRH-KRWDZBQOSA-N 1 0 348.446 4.462 20 30 EIEDRO Cc1sc(CC[NH2+]Cc2ccc(C#N)cc2)nc1-c1ccccc1 ZINC000152414864 1031046859 /nfs/dbraw/zinc/04/68/59/1031046859.db2.gz AIQQJCLQALNGHW-UHFFFAOYSA-N 1 0 333.460 4.323 20 30 EIEDRO C[C@@]1(C#N)CCC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000612165093 1031072123 /nfs/dbraw/zinc/07/21/23/1031072123.db2.gz IWPCZHRFMIYMER-KRWDZBQOSA-N 1 0 340.389 4.490 20 30 EIEDRO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463965 1031074121 /nfs/dbraw/zinc/07/41/21/1031074121.db2.gz MIVKXIURJZXAEE-SFHVURJKSA-N 1 0 346.478 4.491 20 30 EIEDRO Cc1cccn2cc(CCNc3ccc(C(F)(F)F)c(C#N)c3)nc12 ZINC000610917077 1031076585 /nfs/dbraw/zinc/07/65/85/1031076585.db2.gz VTNCHWUDHAVSAW-UHFFFAOYSA-N 1 0 344.340 4.188 20 30 EIEDRO COc1ccc([C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000528044579 1031078207 /nfs/dbraw/zinc/07/82/07/1031078207.db2.gz XWNGNULLCIOZHH-RBBKRZOGSA-N 1 0 347.462 4.470 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H](c2cccs2)N(C)C)c(O)c1 ZINC000255766684 1031092313 /nfs/dbraw/zinc/09/23/13/1031092313.db2.gz FJQGLHRBCSUCMQ-IZQLPPHKSA-N 1 0 345.512 4.022 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000179603293 1031224983 /nfs/dbraw/zinc/22/49/83/1031224983.db2.gz IPUAPSXCZNLBSL-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO C[C@H]([N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)C(C)(C)C ZINC000532490614 1031228662 /nfs/dbraw/zinc/22/86/62/1031228662.db2.gz CWMMBEXVDJWESV-HNNXBMFYSA-N 1 0 325.456 4.104 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000532505653 1031229726 /nfs/dbraw/zinc/22/97/26/1031229726.db2.gz OPQIJMOIWQOMQJ-ZBFHGGJFSA-N 1 0 343.471 4.387 20 30 EIEDRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)Cc2cccc(C#N)c2)c(C)c1 ZINC000136477953 1031391072 /nfs/dbraw/zinc/39/10/72/1031391072.db2.gz UCKICQGUSQNXCR-UHFFFAOYSA-N 1 0 349.478 4.334 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCOc2cccc(C(F)(F)F)c2)CC1 ZINC000449085177 1031415812 /nfs/dbraw/zinc/41/58/12/1031415812.db2.gz KWZDRQQWNHKSHA-UHFFFAOYSA-N 1 0 326.362 4.146 20 30 EIEDRO Cc1cc(C)n(-c2ccc(CC[NH2+]C3CCC(C)(C#N)CC3)cc2)n1 ZINC000449077902 1031432520 /nfs/dbraw/zinc/43/25/20/1031432520.db2.gz KNVYYWXXJPJBHZ-UHFFFAOYSA-N 1 0 336.483 4.094 20 30 EIEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CCCCC1 ZINC000924540555 1031446655 /nfs/dbraw/zinc/44/66/55/1031446655.db2.gz FERJVJWQERRQEK-MRXNPFEDSA-N 1 0 349.519 4.228 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000449106907 1031447218 /nfs/dbraw/zinc/44/72/18/1031447218.db2.gz NOTAMWMXCMRXMJ-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000449088824 1031449971 /nfs/dbraw/zinc/44/99/71/1031449971.db2.gz ZZZPHIPJHFTBCF-UHFFFAOYSA-N 1 0 333.863 4.121 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(=O)[nH]n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000375897302 1031462569 /nfs/dbraw/zinc/46/25/69/1031462569.db2.gz GLDAMKHPDUMGJY-CABCVRRESA-N 1 0 344.418 4.133 20 30 EIEDRO Cn1cc([C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccccc2)cn1 ZINC000612422706 1031504091 /nfs/dbraw/zinc/50/40/91/1031504091.db2.gz DETFXXUGNPPZAY-FCHUYYIVSA-N 1 0 342.446 4.048 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000449165651 1031508031 /nfs/dbraw/zinc/50/80/31/1031508031.db2.gz WUQBNAXEMAQANO-KOHRHEQBSA-N 1 0 331.891 4.371 20 30 EIEDRO COc1ccccc1[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccn1 ZINC000449209419 1031530663 /nfs/dbraw/zinc/53/06/63/1031530663.db2.gz QPJTZUZLFKTPFU-ZWVUXNTGSA-N 1 0 335.451 4.242 20 30 EIEDRO C[C@@H](Cc1ccccc1)[NH+]1CCC(Nc2ccc(CC#N)cc2)CC1 ZINC000449236144 1031549870 /nfs/dbraw/zinc/54/98/70/1031549870.db2.gz IUZXXCRDUPFINK-SFHVURJKSA-N 1 0 333.479 4.260 20 30 EIEDRO C[C@H]([NH2+]Cc1ccnc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC000612473401 1031559357 /nfs/dbraw/zinc/55/93/57/1031559357.db2.gz QEPLWAMEYHBBOB-KRWDZBQOSA-N 1 0 327.431 4.263 20 30 EIEDRO CC(C)c1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000369840078 1031589508 /nfs/dbraw/zinc/58/95/08/1031589508.db2.gz JDTSBNGTNLBMNJ-VELGLUOQSA-N 1 0 342.483 4.018 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449331359 1031626045 /nfs/dbraw/zinc/62/60/45/1031626045.db2.gz ODTPIHUYYFHBSL-UHFFFAOYSA-N 1 0 346.272 4.417 20 30 EIEDRO Cc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cs1 ZINC000449318451 1031632478 /nfs/dbraw/zinc/63/24/78/1031632478.db2.gz DGDQYZFNSXSEHB-UHFFFAOYSA-N 1 0 330.428 4.111 20 30 EIEDRO CC[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccncc1 ZINC000453128000 1031633116 /nfs/dbraw/zinc/63/31/16/1031633116.db2.gz ADXBKJMAKGGLLJ-MHJFOBGBSA-N 1 0 335.451 4.384 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000236680526 1031645612 /nfs/dbraw/zinc/64/56/12/1031645612.db2.gz JGHOKOXQBOZEAE-UHFFFAOYSA-N 1 0 327.225 4.100 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000449365827 1031659942 /nfs/dbraw/zinc/65/99/42/1031659942.db2.gz QLZWFPUCPGAJOC-KRWDZBQOSA-N 1 0 338.476 4.348 20 30 EIEDRO COc1cc(C[N@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)ccc1C#N ZINC000449364875 1031660485 /nfs/dbraw/zinc/66/04/85/1031660485.db2.gz RTMDGZDGKJGLJY-YWPYICTPSA-N 1 0 326.362 4.118 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453170046 1031675608 /nfs/dbraw/zinc/67/56/08/1031675608.db2.gz HKKHDBMDOUBTTE-INIZCTEOSA-N 1 0 342.446 4.299 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453208840 1031724203 /nfs/dbraw/zinc/72/42/03/1031724203.db2.gz HITYBVHWVLFWJV-MPIRFRCKSA-N 1 0 346.902 4.350 20 30 EIEDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1F ZINC000528675612 1031741448 /nfs/dbraw/zinc/74/14/48/1031741448.db2.gz FBMCNWCHTHARBU-UHFFFAOYSA-N 1 0 332.806 4.384 20 30 EIEDRO C=CC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000449485375 1031793405 /nfs/dbraw/zinc/79/34/05/1031793405.db2.gz MHXSFXVVJYWALK-LBPRGKRZSA-N 1 0 328.378 4.224 20 30 EIEDRO Cn1ccnc1[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)cc1 ZINC000453241973 1031799279 /nfs/dbraw/zinc/79/92/79/1031799279.db2.gz ZSHWRKMVBYAGFG-MRXNPFEDSA-N 1 0 330.863 4.082 20 30 EIEDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000449498623 1031807316 /nfs/dbraw/zinc/80/73/16/1031807316.db2.gz SEWVUBGOVHUKFW-PBHICJAKSA-N 1 0 340.389 4.118 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c(Br)cccc32)C1 ZINC000453286526 1031807245 /nfs/dbraw/zinc/80/72/45/1031807245.db2.gz DHCSOULBYZBHQZ-GDZNZVCISA-N 1 0 333.273 4.498 20 30 EIEDRO CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000453298944 1031817440 /nfs/dbraw/zinc/81/74/40/1031817440.db2.gz YTXATMYJCBCSSU-BXWFABGCSA-N 1 0 342.487 4.293 20 30 EIEDRO C[C@H]([NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000453274170 1031820838 /nfs/dbraw/zinc/82/08/38/1031820838.db2.gz CPMQLHRPSUCDNU-SCLBCKFNSA-N 1 0 348.368 4.351 20 30 EIEDRO COCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000449553890 1031840953 /nfs/dbraw/zinc/84/09/53/1031840953.db2.gz MYBFPMGSVIFQJC-WQVCFCJDSA-N 1 0 326.362 4.065 20 30 EIEDRO COCC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000449552619 1031841616 /nfs/dbraw/zinc/84/16/16/1031841616.db2.gz JNERIQLHQNNWOW-GOSISDBHSA-N 1 0 348.368 4.444 20 30 EIEDRO C[C@H](C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000528774983 1031845295 /nfs/dbraw/zinc/84/52/95/1031845295.db2.gz UNSBPSUZCQBLRI-OAHLLOKOSA-N 1 0 338.455 4.256 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000453322910 1031850494 /nfs/dbraw/zinc/85/04/94/1031850494.db2.gz AGXPYKHBFCEVCI-LYRGGWFBSA-N 1 0 332.444 4.252 20 30 EIEDRO C=CCC1([NH2+]Cc2nc3c(s2)CN(C(C)C)CC3)CCCCC1 ZINC000449571036 1031852852 /nfs/dbraw/zinc/85/28/52/1031852852.db2.gz DHXJBYNIEHJZRX-UHFFFAOYSA-N 1 0 333.545 4.278 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000453338762 1031862566 /nfs/dbraw/zinc/86/25/66/1031862566.db2.gz CPLVNQMBSCJSFP-JSGCOSHPSA-N 1 0 334.460 4.235 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCO[C@H](c3cccs3)C2)cc1 ZINC000449630102 1031891444 /nfs/dbraw/zinc/89/14/44/1031891444.db2.gz UWRXRKRXAPPCEF-WMZOPIPTSA-N 1 0 329.465 4.323 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000453388821 1031898639 /nfs/dbraw/zinc/89/86/39/1031898639.db2.gz RBCXZAZGYCMXJQ-GOSISDBHSA-N 1 0 339.370 4.031 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000453365236 1031905878 /nfs/dbraw/zinc/90/58/78/1031905878.db2.gz RFSXSDQFPLECHV-CVEARBPZSA-N 1 0 346.471 4.243 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000453366419 1031908922 /nfs/dbraw/zinc/90/89/22/1031908922.db2.gz RSPGBOMTIYYDNW-PBHICJAKSA-N 1 0 330.497 4.020 20 30 EIEDRO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1ccccc1OC ZINC000508609839 1031912226 /nfs/dbraw/zinc/91/22/26/1031912226.db2.gz SSFVWIZHUXZMKD-INIZCTEOSA-N 1 0 348.450 4.188 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(C#N)cc1F ZINC000453402278 1031938863 /nfs/dbraw/zinc/93/88/63/1031938863.db2.gz ZUTXLTPDPHTQSW-DXCKQFNASA-N 1 0 330.428 4.330 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1)c1ccco1 ZINC000453391018 1031958322 /nfs/dbraw/zinc/95/83/22/1031958322.db2.gz XVQJGAYKBOSZOP-ISARSNTHSA-N 1 0 343.471 4.270 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)c(OC(F)F)cc1C ZINC000449736288 1031972762 /nfs/dbraw/zinc/97/27/62/1031972762.db2.gz UXQNDIOSYZQNOQ-UHFFFAOYSA-N 1 0 334.341 4.205 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1cccc2ccccc21 ZINC000053017152 1032010412 /nfs/dbraw/zinc/01/04/12/1032010412.db2.gz DCWYUHVOZCPAIG-UHFFFAOYSA-N 1 0 349.459 4.234 20 30 EIEDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573413347 1033345100 /nfs/dbraw/zinc/34/51/00/1033345100.db2.gz VOQKNELQJCILPH-CJNGLKHVSA-N 1 0 340.389 4.093 20 30 EIEDRO CCC[C@@H](C#N)N(C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000410829986 1033399889 /nfs/dbraw/zinc/39/98/89/1033399889.db2.gz SVLRJQYFVNGKGE-NRFANRHFSA-N 1 0 349.478 4.083 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000512610952 1033493474 /nfs/dbraw/zinc/49/34/74/1033493474.db2.gz GOBXDQKHZANKHO-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)c(OC)c1 ZINC000614160038 1033528919 /nfs/dbraw/zinc/52/89/19/1033528919.db2.gz LFAQVFKXLNXHGC-UHFFFAOYSA-N 1 0 338.451 4.137 20 30 EIEDRO C[C@@H](NCc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512626125 1033541176 /nfs/dbraw/zinc/54/11/76/1033541176.db2.gz SCNSRGLKMYQQRK-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000614176977 1033595509 /nfs/dbraw/zinc/59/55/09/1033595509.db2.gz DCJXZZWLPDQOAZ-UHFFFAOYSA-N 1 0 334.463 4.097 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649503 1033604658 /nfs/dbraw/zinc/60/46/58/1033604658.db2.gz SGFNFMLVBGUXFL-QFBILLFUSA-N 1 0 337.442 4.013 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000433022232 1033680734 /nfs/dbraw/zinc/68/07/34/1033680734.db2.gz UHHYEOXIZFOIDW-VQTJNVASSA-N 1 0 342.870 4.268 20 30 EIEDRO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433023289 1033681257 /nfs/dbraw/zinc/68/12/57/1033681257.db2.gz OMLLHCSLZZEXHZ-WIYYLYMNSA-N 1 0 349.478 4.231 20 30 EIEDRO N#CC1(CC[N@@H+]2CC[C@@H](COCc3ccccc3)C2)CCCCC1 ZINC000411294514 1033813838 /nfs/dbraw/zinc/81/38/38/1033813838.db2.gz MYEUVFZLJHWZKJ-HXUWFJFHSA-N 1 0 326.484 4.389 20 30 EIEDRO COc1cccc(NC2CC[NH+](CCC3(C#N)CCCCC3)CC2)c1 ZINC000411296600 1033817741 /nfs/dbraw/zinc/81/77/41/1033817741.db2.gz GXMIMQGQNQAUFY-UHFFFAOYSA-N 1 0 341.499 4.436 20 30 EIEDRO C[C@@H](c1ccccc1F)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512795987 1033965456 /nfs/dbraw/zinc/96/54/56/1033965456.db2.gz CLOBVYGCTFYHLC-AWEZNQCLSA-N 1 0 342.389 4.441 20 30 EIEDRO C=C(CC)C[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000419270090 1034003668 /nfs/dbraw/zinc/00/36/68/1034003668.db2.gz CSXYKVRGGYYNGF-FQEVSTJZSA-N 1 0 338.451 4.239 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)cc(OC)c1O ZINC000513087708 1034520748 /nfs/dbraw/zinc/52/07/48/1034520748.db2.gz CKGJOFLSGZRFTO-UHFFFAOYSA-N 1 0 336.435 4.209 20 30 EIEDRO Cc1cc(C#N)ccc1CN1CCCC[C@H]1c1nc2ccccc2n1C ZINC000614401743 1034547212 /nfs/dbraw/zinc/54/72/12/1034547212.db2.gz BQQBAPVKASNUAQ-NRFANRHFSA-N 1 0 344.462 4.481 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000513467552 1034969307 /nfs/dbraw/zinc/96/93/07/1034969307.db2.gz WVNKVDFQITVIFY-IBGZPJMESA-N 1 0 338.426 4.498 20 30 EIEDRO N#CCC1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000430032810 1035312073 /nfs/dbraw/zinc/31/20/73/1035312073.db2.gz DIPQDNCGMKTTAY-UHFFFAOYSA-N 1 0 347.178 4.251 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000280758024 1035335447 /nfs/dbraw/zinc/33/54/47/1035335447.db2.gz IIXGFRWVJCDNMU-UHFFFAOYSA-N 1 0 343.515 4.037 20 30 EIEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000501010095 1035344409 /nfs/dbraw/zinc/34/44/09/1035344409.db2.gz HHMMNSUISOYVIG-UHFFFAOYSA-N 1 0 348.446 4.292 20 30 EIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)CC1 ZINC000430036270 1035386272 /nfs/dbraw/zinc/38/62/72/1035386272.db2.gz OIHFHWGUIVOGEJ-UHFFFAOYSA-N 1 0 345.240 4.493 20 30 EIEDRO Cc1nccc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000366473276 1035423391 /nfs/dbraw/zinc/42/33/91/1035423391.db2.gz WNUUBNBWELSTGD-HNNXBMFYSA-N 1 0 328.419 4.175 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000513713926 1035440510 /nfs/dbraw/zinc/44/05/10/1035440510.db2.gz VQINPQSZOTXKSU-UHFFFAOYSA-N 1 0 348.446 4.166 20 30 EIEDRO Cc1cc(Cl)ccc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594982225 1035512743 /nfs/dbraw/zinc/51/27/43/1035512743.db2.gz ARJJIWVPXAVOMT-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000484998022 1035552051 /nfs/dbraw/zinc/55/20/51/1035552051.db2.gz ULPRWBWHCIRNEA-HOTGVXAUSA-N 1 0 328.456 4.205 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)COc1c(F)cccc1F)c1ccc(C#N)c(F)c1 ZINC000595073371 1035554270 /nfs/dbraw/zinc/55/42/70/1035554270.db2.gz WOFMKERYWDMZSA-NWDGAFQWSA-N 1 0 334.341 4.094 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cncc(Br)c1 ZINC000595042194 1035563953 /nfs/dbraw/zinc/56/39/53/1035563953.db2.gz JUEDARPLSDNYGZ-GTNSWQLSSA-N 1 0 342.240 4.054 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)CC2 ZINC000595093658 1035601903 /nfs/dbraw/zinc/60/19/03/1035601903.db2.gz LWWBOYDJEARBBS-INIZCTEOSA-N 1 0 332.325 4.076 20 30 EIEDRO C[N@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000595299023 1035626074 /nfs/dbraw/zinc/62/60/74/1035626074.db2.gz VEVBEYOZLIONPF-FCHUYYIVSA-N 1 0 334.463 4.200 20 30 EIEDRO C[C@H]1C[C@H]([N@H+](C)CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000595342641 1035636443 /nfs/dbraw/zinc/63/64/43/1035636443.db2.gz FNQJRCJGPGMOJA-WMZHIEFXSA-N 1 0 347.506 4.086 20 30 EIEDRO CC1CCC(OC2CC[NH+](CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595312985 1035639580 /nfs/dbraw/zinc/63/95/80/1035639580.db2.gz QQBLNXSRJDPFQO-UHFFFAOYSA-N 1 0 326.484 4.160 20 30 EIEDRO COCOc1ccc(C#N)cc1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000904881242 1035641858 /nfs/dbraw/zinc/64/18/58/1035641858.db2.gz JNJYZRWEXXRZPX-MRXNPFEDSA-N 1 0 336.435 4.365 20 30 EIEDRO N#Cc1ccc(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000574992816 1035649476 /nfs/dbraw/zinc/64/94/76/1035649476.db2.gz YQCYLILAOFFYIB-IBGZPJMESA-N 1 0 333.391 4.118 20 30 EIEDRO CC[C@@H](c1ccccc1)[N@@H+](Cc1cnc2c(C#N)cnn2c1)CC(C)C ZINC000575060253 1035662720 /nfs/dbraw/zinc/66/27/20/1035662720.db2.gz ADPRSJVOIYJPDI-FQEVSTJZSA-N 1 0 347.466 4.210 20 30 EIEDRO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000595431773 1035678940 /nfs/dbraw/zinc/67/89/40/1035678940.db2.gz OWVSMSDWPARCKV-ZDUSSCGKSA-N 1 0 339.386 4.317 20 30 EIEDRO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCc3ccc(C#N)cc3)n2)cc1 ZINC000595433433 1035680639 /nfs/dbraw/zinc/68/06/39/1035680639.db2.gz QVNWPQRGTSUMIJ-OAHLLOKOSA-N 1 0 346.434 4.064 20 30 EIEDRO CC[C@@H](CC(F)F)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000595485429 1035683028 /nfs/dbraw/zinc/68/30/28/1035683028.db2.gz ZAAQBMBIQWSHBK-ZDUSSCGKSA-N 1 0 340.389 4.222 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)c([N+](=O)[O-])c1 ZINC000593016636 1035683144 /nfs/dbraw/zinc/68/31/44/1035683144.db2.gz UWKVZXAQFCYUKM-UHFFFAOYSA-N 1 0 339.370 4.165 20 30 EIEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C#N)c3ccccc3)C2)s1 ZINC000595477703 1035687277 /nfs/dbraw/zinc/68/72/77/1035687277.db2.gz SWKZSTLBJUWHFH-YLJYHZDGSA-N 1 0 339.508 4.075 20 30 EIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)s1)c1nc(-c2ccccc2)no1 ZINC000183359406 1035740032 /nfs/dbraw/zinc/74/00/32/1035740032.db2.gz QNNKHOMPGJPFHB-OLZOCXBDSA-N 1 0 338.436 4.124 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[NH2+][C@H]3CCCC34CCCCC4)o2)c1 ZINC000595606227 1035743960 /nfs/dbraw/zinc/74/39/60/1035743960.db2.gz VLJSYGFCEMMBJR-KRWDZBQOSA-N 1 0 336.439 4.201 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000595615782 1035747629 /nfs/dbraw/zinc/74/76/29/1035747629.db2.gz NSQQNCBXIWDPKO-SFHVURJKSA-N 1 0 347.462 4.308 20 30 EIEDRO C[C@@H]([NH2+]CCOCCC#N)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000595683685 1035757969 /nfs/dbraw/zinc/75/79/69/1035757969.db2.gz YCDJXRKTHUYTFJ-MSOLQXFVSA-N 1 0 338.451 4.407 20 30 EIEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1F ZINC000595690856 1035764132 /nfs/dbraw/zinc/76/41/32/1035764132.db2.gz IKFGXRVFIXGBSG-QGZVFWFLSA-N 1 0 345.443 4.074 20 30 EIEDRO CSc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595767398 1035779191 /nfs/dbraw/zinc/77/91/91/1035779191.db2.gz AJFNZYZDFWDCMR-UHFFFAOYSA-N 1 0 338.476 4.076 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](CSc2ccccc2)C(C)C)CC1 ZINC000491037744 1035781010 /nfs/dbraw/zinc/78/10/10/1035781010.db2.gz ONOKFKKPAGUTGU-FQEVSTJZSA-N 1 0 332.557 4.433 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595786945 1035794966 /nfs/dbraw/zinc/79/49/66/1035794966.db2.gz CZFSVEWGFVXQTJ-QUCCMNQESA-N 1 0 326.484 4.269 20 30 EIEDRO CC[C@@H](c1ccccc1)[N@H+](CC(=O)Nc1sccc1C#N)C(C)C ZINC000595849716 1035798152 /nfs/dbraw/zinc/79/81/52/1035798152.db2.gz DFIVNMBFPSIHNC-KRWDZBQOSA-N 1 0 341.480 4.420 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1C#N ZINC000593125901 1035800546 /nfs/dbraw/zinc/80/05/46/1035800546.db2.gz QPRZBBTXCMWUFB-BVSLBCMMSA-N 1 0 348.446 4.061 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593126977 1035805650 /nfs/dbraw/zinc/80/56/50/1035805650.db2.gz ZOUAHDFPRAHOBM-ONTIZHBOSA-N 1 0 348.446 4.061 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cnccc2C(F)(F)F)c1 ZINC000596061825 1035817954 /nfs/dbraw/zinc/81/79/54/1035817954.db2.gz KPYWXTOTFFTBAL-UHFFFAOYSA-N 1 0 349.356 4.073 20 30 EIEDRO CC[NH+](CC)CCCC1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596189270 1035830753 /nfs/dbraw/zinc/83/07/53/1035830753.db2.gz GATVKZBAXWWNKE-UHFFFAOYSA-N 1 0 340.924 4.007 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(c3ccncn3)CC2)cc1Cl ZINC000414472873 1035840647 /nfs/dbraw/zinc/84/06/47/1035840647.db2.gz UGVJRFIBZMRWTG-UHFFFAOYSA-N 1 0 343.858 4.074 20 30 EIEDRO N#CCN1CCC([NH2+][C@@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000586790008 1035847695 /nfs/dbraw/zinc/84/76/95/1035847695.db2.gz YXPOKVABKPJSOF-WOJBJXKFSA-N 1 0 345.918 4.334 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000586789699 1035848150 /nfs/dbraw/zinc/84/81/50/1035848150.db2.gz QWWBJBPXNSFQER-OAQYLSRUSA-N 1 0 325.500 4.476 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000586796671 1035849611 /nfs/dbraw/zinc/84/96/11/1035849611.db2.gz SOGGSCGOTMFGJU-GMXVVIOVSA-N 1 0 325.225 4.321 20 30 EIEDRO CC(C)NC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1ccccc1 ZINC000055009772 1035879207 /nfs/dbraw/zinc/87/92/07/1035879207.db2.gz DKCTZUOUSMAEGZ-UHFFFAOYSA-O 1 0 341.500 4.034 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCc4ccccc43)CC2)c1 ZINC000593184126 1035895059 /nfs/dbraw/zinc/89/50/59/1035895059.db2.gz WPVDXZWSPRYXGY-QHCPKHFHSA-N 1 0 345.490 4.190 20 30 EIEDRO C=CCSc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000485460431 1035895270 /nfs/dbraw/zinc/89/52/70/1035895270.db2.gz IDHZRVKVCMSHPS-HNNXBMFYSA-N 1 0 346.521 4.059 20 30 EIEDRO C[C@H]([NH2+][C@@H]1C[C@H](CO)c2ccccc21)c1ccc(C#N)cc1Cl ZINC000366743016 1035908292 /nfs/dbraw/zinc/90/82/92/1035908292.db2.gz JOZMESBEDCKADP-BBEJJTJUSA-N 1 0 326.827 4.083 20 30 EIEDRO C=CCSc1ccccc1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000485477311 1035911757 /nfs/dbraw/zinc/91/17/57/1035911757.db2.gz GWMFNTUYIDFJEE-YESZJQIVSA-N 1 0 346.540 4.061 20 30 EIEDRO N#Cc1cccc(OCCC[NH2+][C@H](CC(F)F)c2ccccc2)c1 ZINC000420998819 1035936311 /nfs/dbraw/zinc/93/63/11/1035936311.db2.gz UGIOMZTZHRPLPS-GOSISDBHSA-N 1 0 330.378 4.313 20 30 EIEDRO C=CCSc1ccccc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000485494309 1035938426 /nfs/dbraw/zinc/93/84/26/1035938426.db2.gz QQQOAMAXPIWDCS-UHFFFAOYSA-N 1 0 344.524 4.102 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000513741232 1036053278 /nfs/dbraw/zinc/05/32/78/1036053278.db2.gz ISYQONYFCOCHTQ-OWOJBTEDSA-N 1 0 336.410 4.254 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)N(C)c1ccccc1 ZINC000571485480 1036054179 /nfs/dbraw/zinc/05/41/79/1036054179.db2.gz JOLWUXMSOQERPI-CQSZACIVSA-N 1 0 347.384 4.192 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CCCN(c4ccccc4F)CC3)cc2)CC1 ZINC000597127938 1036111982 /nfs/dbraw/zinc/11/19/82/1036111982.db2.gz SDWBOZVSFBYOTF-UHFFFAOYSA-N 1 0 349.453 4.093 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CC4(CCOCC4)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000597137887 1036119091 /nfs/dbraw/zinc/11/90/91/1036119091.db2.gz HHKCOBNAFISZFQ-UXHICEINSA-N 1 0 336.479 4.023 20 30 EIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000183532201 1036129292 /nfs/dbraw/zinc/12/92/92/1036129292.db2.gz WGOWBYRIOAFCBX-LSDHHAIUSA-N 1 0 347.418 4.291 20 30 EIEDRO N#CC[C@@H]1CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000597176987 1036143203 /nfs/dbraw/zinc/14/32/03/1036143203.db2.gz LDFYNTLBOKYOJL-KRWDZBQOSA-N 1 0 349.482 4.186 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000597177014 1036144285 /nfs/dbraw/zinc/14/42/85/1036144285.db2.gz LOILAWAYCVLKEA-ZDUSSCGKSA-N 1 0 348.372 4.221 20 30 EIEDRO C[C@H](CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000597212441 1036155992 /nfs/dbraw/zinc/15/59/92/1036155992.db2.gz SIUVSCUHYILAPC-GOSISDBHSA-N 1 0 334.463 4.347 20 30 EIEDRO C[C@@H](C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccc(F)cc1 ZINC000597213028 1036156642 /nfs/dbraw/zinc/15/66/42/1036156642.db2.gz YXHQRBRAEDKOFR-INIZCTEOSA-N 1 0 338.426 4.096 20 30 EIEDRO C=CCc1cc(C[N@H+](CCC(F)(F)F)CC2CC2)c(O)c(OC)c1 ZINC000164473154 1036165320 /nfs/dbraw/zinc/16/53/20/1036165320.db2.gz IFEHQGLJEUPTRC-UHFFFAOYSA-N 1 0 343.389 4.294 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000597224372 1036169967 /nfs/dbraw/zinc/16/99/67/1036169967.db2.gz HESLHERGAYBKTG-TZIWHRDSSA-N 1 0 342.483 4.150 20 30 EIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CC3(C#N)CCCCC3)c2C1 ZINC000597413403 1036231310 /nfs/dbraw/zinc/23/13/10/1036231310.db2.gz LDDGTVAXKDHQHG-UHFFFAOYSA-N 1 0 339.483 4.461 20 30 EIEDRO N#CCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)CC1CC1 ZINC000513746090 1036241200 /nfs/dbraw/zinc/24/12/00/1036241200.db2.gz NZVQNPAZHNESED-UHFFFAOYSA-N 1 0 341.436 4.449 20 30 EIEDRO C=CCC1([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(C)C)CCOCC1 ZINC000668552824 1036284384 /nfs/dbraw/zinc/28/43/84/1036284384.db2.gz ULVRROCNDCWFAF-KRWDZBQOSA-N 1 0 344.499 4.242 20 30 EIEDRO C=CCC1([NH2+]C[C@@H](C)c2cccc(Br)c2)CCOCC1 ZINC000668552484 1036284975 /nfs/dbraw/zinc/28/49/75/1036284975.db2.gz MZRPJJXLWCZCIO-CQSZACIVSA-N 1 0 338.289 4.268 20 30 EIEDRO CCCOc1c(C[NH2+]Cc2ccc(C#N)s2)cccc1OCC ZINC000421352510 1036296890 /nfs/dbraw/zinc/29/68/90/1036296890.db2.gz OBGQPCCKULZNTQ-UHFFFAOYSA-N 1 0 330.453 4.097 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCCn2ccnc2C)cc1 ZINC000164709343 1036306641 /nfs/dbraw/zinc/30/66/41/1036306641.db2.gz ZSSYDEONAUYGSY-MRXNPFEDSA-N 1 0 347.890 4.454 20 30 EIEDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000421357600 1036331717 /nfs/dbraw/zinc/33/17/17/1036331717.db2.gz PJPURBUWHPXDPI-SFHVURJKSA-N 1 0 326.419 4.155 20 30 EIEDRO CCCCOc1ccc(CC[NH2+][C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602517208 1036473411 /nfs/dbraw/zinc/47/34/11/1036473411.db2.gz XWVZAHNPDNEGAP-GOSISDBHSA-N 1 0 344.499 4.097 20 30 EIEDRO N#CC1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000602522332 1036478167 /nfs/dbraw/zinc/47/81/67/1036478167.db2.gz UXGMUJFEJZNDFZ-UHFFFAOYSA-N 1 0 332.875 4.060 20 30 EIEDRO N#CC1CCC([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000602522520 1036479490 /nfs/dbraw/zinc/47/94/90/1036479490.db2.gz XAPQSCSYWQTEDD-UHFFFAOYSA-N 1 0 325.387 4.185 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)c1cccc(Cl)c1 ZINC000602523901 1036480838 /nfs/dbraw/zinc/48/08/38/1036480838.db2.gz HXAVIDAQAKTGDS-OAHLLOKOSA-N 1 0 334.891 4.306 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000602509289 1036482289 /nfs/dbraw/zinc/48/22/89/1036482289.db2.gz DTHQFXXUDPOVFA-VXESANQCSA-N 1 0 335.451 4.394 20 30 EIEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)C ZINC000572274470 1036482543 /nfs/dbraw/zinc/48/25/43/1036482543.db2.gz CJEUITJUYPIEDY-QZTJIDSGSA-N 1 0 327.472 4.130 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000602508196 1036484324 /nfs/dbraw/zinc/48/43/24/1036484324.db2.gz ADHVVTMFKYFYPW-VWYCJHECSA-N 1 0 330.316 4.425 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000602578563 1036504964 /nfs/dbraw/zinc/50/49/64/1036504964.db2.gz NXAOMXGCPPHADO-QIIPPGSGSA-N 1 0 337.870 4.001 20 30 EIEDRO COc1ccc([C@@H]([NH2+]C[C@H](C)CCC#N)c2ccccc2OC)cc1 ZINC000602580268 1036510739 /nfs/dbraw/zinc/51/07/39/1036510739.db2.gz FRVJPGWRGCSIIP-IIBYNOLFSA-N 1 0 338.451 4.323 20 30 EIEDRO N#CC1CCC([NH2+]Cc2csc(CCc3ccccc3)n2)CC1 ZINC000602586367 1036512417 /nfs/dbraw/zinc/51/24/17/1036512417.db2.gz ARSKYCRKGAUWEH-UHFFFAOYSA-N 1 0 325.481 4.100 20 30 EIEDRO Cn1c2ccccc2nc1[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602585680 1036514570 /nfs/dbraw/zinc/51/45/70/1036514570.db2.gz HXYMLVSATXAXBK-QYGXFBIXSA-N 1 0 344.462 4.335 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCCCc1ccc(F)cc1 ZINC000602622631 1036521381 /nfs/dbraw/zinc/52/13/81/1036521381.db2.gz BFAQNIFENHZVAE-KRWDZBQOSA-N 1 0 332.463 4.227 20 30 EIEDRO N#CC1CCC([NH2+][C@H]2CSc3ccc(Br)cc32)CC1 ZINC000602640246 1036529782 /nfs/dbraw/zinc/52/97/82/1036529782.db2.gz LBRMKKFFLVTUPJ-OVGLSYRBSA-N 1 0 337.286 4.268 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000602630086 1036543929 /nfs/dbraw/zinc/54/39/29/1036543929.db2.gz TVYLTABMFUJPMM-HOJAQTOUSA-N 1 0 326.484 4.086 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCCc1ccc(Cl)s1 ZINC000602651877 1036546335 /nfs/dbraw/zinc/54/63/35/1036546335.db2.gz HFIZAWWHXRCBKZ-CQSZACIVSA-N 1 0 340.920 4.413 20 30 EIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602633806 1036550369 /nfs/dbraw/zinc/55/03/69/1036550369.db2.gz ZQYXZINGGPFOTC-RYUDHWBXSA-N 1 0 325.250 4.048 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000602673829 1036551838 /nfs/dbraw/zinc/55/18/38/1036551838.db2.gz SLLWBVLMIJDWFD-JSGCOSHPSA-N 1 0 338.904 4.467 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000602673828 1036553614 /nfs/dbraw/zinc/55/36/14/1036553614.db2.gz SLLWBVLMIJDWFD-GXTWGEPZSA-N 1 0 338.904 4.467 20 30 EIEDRO COCC[C@H]([NH2+]C[C@H](C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000602682575 1036568333 /nfs/dbraw/zinc/56/83/33/1036568333.db2.gz MKWIQPPRKOXDCX-CJNGLKHVSA-N 1 0 328.378 4.312 20 30 EIEDRO N#CC1CCC([NH2+][C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000602701575 1036576402 /nfs/dbraw/zinc/57/64/02/1036576402.db2.gz USUMWQHLFOMTHO-ZALBZXLWSA-N 1 0 327.859 4.351 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602701663 1036578429 /nfs/dbraw/zinc/57/84/29/1036578429.db2.gz WRQQJHKYIJTPMS-GMAHTHKFSA-N 1 0 345.490 4.210 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000588957449 1036621727 /nfs/dbraw/zinc/62/17/27/1036621727.db2.gz HKDICNOALMQXMJ-ZLFCBZORSA-N 1 0 347.462 4.481 20 30 EIEDRO N#CCC1(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000602805718 1036629322 /nfs/dbraw/zinc/62/93/22/1036629322.db2.gz OXMPQMKUKKUPRH-SFHVURJKSA-N 1 0 325.843 4.302 20 30 EIEDRO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602911005 1036662324 /nfs/dbraw/zinc/66/23/24/1036662324.db2.gz UWBDGEQRQNUAEY-CYBMUJFWSA-N 1 0 327.378 4.172 20 30 EIEDRO CC(C)(C)c1csc(CC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000602893710 1036662679 /nfs/dbraw/zinc/66/26/79/1036662679.db2.gz SVHFLVIIDSQYOU-JKSUJKDBSA-N 1 0 331.529 4.387 20 30 EIEDRO CC(C)Oc1cccc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000602909810 1036663126 /nfs/dbraw/zinc/66/31/26/1036663126.db2.gz OYWXNMGRLGRMTF-UHFFFAOYSA-N 1 0 335.451 4.120 20 30 EIEDRO CC(C)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000598602484 1036706211 /nfs/dbraw/zinc/70/62/11/1036706211.db2.gz SPUWFLFYJJGOFG-HOTGVXAUSA-N 1 0 342.405 4.293 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000598594347 1036707321 /nfs/dbraw/zinc/70/73/21/1036707321.db2.gz HTRDMDSNCPVZDL-QGZVFWFLSA-N 1 0 336.426 4.010 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2cccc(C#N)c2)ccc1OC(F)F ZINC000192950375 1036720152 /nfs/dbraw/zinc/72/01/52/1036720152.db2.gz YZTUOUMKIAAEMS-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)c1ccncc1)CC2 ZINC000589336793 1036738645 /nfs/dbraw/zinc/73/86/45/1036738645.db2.gz IQNWEDNZKBRPNS-FGZHOGPDSA-N 1 0 325.415 4.320 20 30 EIEDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3ccc(C#N)cc31)CCO2 ZINC000589343919 1036741301 /nfs/dbraw/zinc/74/13/01/1036741301.db2.gz HGQGYQNIFQYMFP-WOJBJXKFSA-N 1 0 334.419 4.058 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598703384 1036750326 /nfs/dbraw/zinc/75/03/26/1036750326.db2.gz HDCQHIBUSKUYRY-MOPGFXCFSA-N 1 0 342.870 4.320 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000598720724 1036759004 /nfs/dbraw/zinc/75/90/04/1036759004.db2.gz QDQCMOASLJXDBU-CYBMUJFWSA-N 1 0 343.298 4.161 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(OC(F)F)cc2)cc1 ZINC000061029639 1036784045 /nfs/dbraw/zinc/78/40/45/1036784045.db2.gz DXEKKGJPZAVTLN-UHFFFAOYSA-N 1 0 333.378 4.185 20 30 EIEDRO CC[NH+](CC)CCN(C(=O)CCCCC#N)c1ccc(Cl)cc1 ZINC000598865674 1036810235 /nfs/dbraw/zinc/81/02/35/1036810235.db2.gz FQZGVRZGFPXJLD-UHFFFAOYSA-N 1 0 335.879 4.099 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2c(Cl)oc3ccccc32)cc1 ZINC000761312623 1036844797 /nfs/dbraw/zinc/84/47/97/1036844797.db2.gz IZYDOKPFYWXOOF-UHFFFAOYSA-N 1 0 326.783 4.278 20 30 EIEDRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(C)(C)CC#N ZINC000599049591 1036855212 /nfs/dbraw/zinc/85/52/12/1036855212.db2.gz PSWUZAJWCQYXIM-JTQLQIEISA-N 1 0 333.785 4.214 20 30 EIEDRO Cc1cc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)ccc1C#N ZINC000486801749 1036863019 /nfs/dbraw/zinc/86/30/19/1036863019.db2.gz NCHCFCJWHDOMJW-SFHVURJKSA-N 1 0 326.465 4.109 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1 ZINC000599057333 1036865230 /nfs/dbraw/zinc/86/52/30/1036865230.db2.gz CQHIFGQUBTUTNN-AEFFLSMTSA-N 1 0 342.487 4.064 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000589727679 1036870644 /nfs/dbraw/zinc/87/06/44/1036870644.db2.gz JXUBSYOIQLYAMY-UTKZUKDTSA-N 1 0 349.453 4.191 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](c2cccs2)C2CC2)cc(OC)c1O ZINC000603509745 1036870755 /nfs/dbraw/zinc/87/07/55/1036870755.db2.gz OYPFBKOQYXJQPD-GOSISDBHSA-N 1 0 329.465 4.432 20 30 EIEDRO N#Cc1csc(CNc2ccc(SCC[NH+]3CCCC3)cc2)c1 ZINC000593678504 1036879461 /nfs/dbraw/zinc/87/94/61/1036879461.db2.gz NCMMAVSJLRCMIK-UHFFFAOYSA-N 1 0 343.521 4.420 20 30 EIEDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc21 ZINC000593691186 1036895354 /nfs/dbraw/zinc/89/53/54/1036895354.db2.gz PFFWFXGBHUFDLA-PMACEKPBSA-N 1 0 348.446 4.218 20 30 EIEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693412 1036898593 /nfs/dbraw/zinc/89/85/93/1036898593.db2.gz XVBXAZAOGSQDOK-PGRDOPGGSA-N 1 0 337.511 4.105 20 30 EIEDRO CC[C@]1(C)CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695447 1036899668 /nfs/dbraw/zinc/89/96/68/1036899668.db2.gz PNYQRFHPSXULJN-NHCUHLMSSA-N 1 0 325.500 4.081 20 30 EIEDRO C[N@@H+](Cc1cccc(F)c1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000589984381 1036922059 /nfs/dbraw/zinc/92/20/59/1036922059.db2.gz QYBQLLIHLZXNOZ-WIYYLYMNSA-N 1 0 338.426 4.297 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000593708400 1036923508 /nfs/dbraw/zinc/92/35/08/1036923508.db2.gz OYDGWOWMUPUKSX-MRXNPFEDSA-N 1 0 342.483 4.285 20 30 EIEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593719272 1036927940 /nfs/dbraw/zinc/92/79/40/1036927940.db2.gz AWESPTIIZJBCBA-HXOBKFHXSA-N 1 0 345.490 4.046 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cccs1 ZINC000593721304 1036934989 /nfs/dbraw/zinc/93/49/89/1036934989.db2.gz LFMVKDJIOWGMDC-IBGZPJMESA-N 1 0 339.508 4.325 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000593721809 1036937185 /nfs/dbraw/zinc/93/71/85/1036937185.db2.gz LXLRCTMUXSQVFZ-FCEUIQTBSA-N 1 0 347.462 4.231 20 30 EIEDRO N#CC1(C[C@H](O)C[NH2+][C@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000599316878 1036951300 /nfs/dbraw/zinc/95/13/00/1036951300.db2.gz GETMKJIPSLFLCA-FCHUYYIVSA-N 1 0 348.490 4.395 20 30 EIEDRO CCC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599349126 1036963896 /nfs/dbraw/zinc/96/38/96/1036963896.db2.gz KPOUMWKVXJKKAM-HZPDHXFCSA-N 1 0 340.389 4.191 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000599348217 1036963994 /nfs/dbraw/zinc/96/39/94/1036963994.db2.gz DEVDLMCTBDHVHM-FUHWJXTLSA-N 1 0 336.435 4.184 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000599355278 1036966844 /nfs/dbraw/zinc/96/68/44/1036966844.db2.gz XQMQMOSESXRWHO-MGPUTAFESA-N 1 0 338.426 4.198 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)[C@@H]1CC[C@H](C#N)C1 ZINC000590157706 1036990068 /nfs/dbraw/zinc/99/00/68/1036990068.db2.gz DEWJPPGAFSHOKT-WMLDXEAASA-N 1 0 327.403 4.037 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000590195840 1037008807 /nfs/dbraw/zinc/00/88/07/1037008807.db2.gz QWAOOVNTZZWMPN-HNNXBMFYSA-N 1 0 334.398 4.042 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C2CC2)c1 ZINC000590242939 1037017071 /nfs/dbraw/zinc/01/70/71/1037017071.db2.gz FUXMCEOTHYFMLI-INIZCTEOSA-N 1 0 346.478 4.150 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271839464 1037030988 /nfs/dbraw/zinc/03/09/88/1037030988.db2.gz GPTBNMNEFJRBIW-AVYPCKFXSA-N 1 0 342.414 4.155 20 30 EIEDRO COc1ccc2cc(C[N@H+](C)CCOc3cccc(C#N)c3)ccc2c1 ZINC000603844653 1037036525 /nfs/dbraw/zinc/03/65/25/1037036525.db2.gz XTDGNPYUXPYIEE-UHFFFAOYSA-N 1 0 346.430 4.231 20 30 EIEDRO CC(C)CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000603859738 1037052120 /nfs/dbraw/zinc/05/21/20/1037052120.db2.gz OUHCDLSHHUPLNG-UHFFFAOYSA-N 1 0 347.528 4.195 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1Br ZINC000272002312 1037076329 /nfs/dbraw/zinc/07/63/29/1037076329.db2.gz HWBRTZUKXBGRPN-NSHDSACASA-N 1 0 325.250 4.048 20 30 EIEDRO C=CCC[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000467303062 1037080890 /nfs/dbraw/zinc/08/08/90/1037080890.db2.gz RMXOSKNHMNMOLV-UHFFFAOYSA-N 1 0 336.435 4.154 20 30 EIEDRO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000599572674 1037080625 /nfs/dbraw/zinc/08/06/25/1037080625.db2.gz FBPVXQJZZNKTMM-HNNXBMFYSA-N 1 0 337.261 4.288 20 30 EIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CCC(C)C)c1C#N ZINC000603900965 1037082658 /nfs/dbraw/zinc/08/26/58/1037082658.db2.gz OUCNBZNNHCMYAK-UHFFFAOYSA-N 1 0 344.503 4.008 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](c2cccc(C)c2)C(C)C)c(C#N)c1C ZINC000599626399 1037100997 /nfs/dbraw/zinc/10/09/97/1037100997.db2.gz FRHDIIZRELNOLY-LJQANCHMSA-N 1 0 339.439 4.002 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000590653791 1037133867 /nfs/dbraw/zinc/13/38/67/1037133867.db2.gz UXDNIGFMFDVSSH-HZPDHXFCSA-N 1 0 328.337 4.240 20 30 EIEDRO CN1CCC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccccc21 ZINC000590780183 1037163240 /nfs/dbraw/zinc/16/32/40/1037163240.db2.gz XMTFWHRBQXCDNU-LEWJYISDSA-N 1 0 331.463 4.497 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCC34CCCCC4)CC2)nc1 ZINC000590777802 1037163630 /nfs/dbraw/zinc/16/36/30/1037163630.db2.gz XEKIKWOWTBKIBP-LJQANCHMSA-N 1 0 338.499 4.015 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000604069708 1037194939 /nfs/dbraw/zinc/19/49/39/1037194939.db2.gz CPDRTMXICXGKOA-NRFANRHFSA-N 1 0 336.479 4.006 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)c1 ZINC000604069711 1037195065 /nfs/dbraw/zinc/19/50/65/1037195065.db2.gz CPDRTMXICXGKOA-OAQYLSRUSA-N 1 0 336.479 4.006 20 30 EIEDRO N#CCC1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000590960728 1037216557 /nfs/dbraw/zinc/21/65/57/1037216557.db2.gz REOJPQSWINAINH-UHFFFAOYSA-N 1 0 349.482 4.186 20 30 EIEDRO C=CCSCC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000229560954 1037260307 /nfs/dbraw/zinc/26/03/07/1037260307.db2.gz MXJSYBFCZBKYAP-CYBMUJFWSA-N 1 0 330.291 4.115 20 30 EIEDRO COc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1OC(F)F ZINC000487869493 1037270851 /nfs/dbraw/zinc/27/08/51/1037270851.db2.gz LIHWDYVXZGZGQI-ZDUSSCGKSA-N 1 0 346.377 4.361 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccc1OC ZINC000057959747 1037356027 /nfs/dbraw/zinc/35/60/27/1037356027.db2.gz ZXEMDGMAZPXGLK-UHFFFAOYSA-N 1 0 340.467 4.006 20 30 EIEDRO Cc1cc(C[NH2+]C2(c3ccc(Br)cc3)CC2)ccc1C#N ZINC000488113469 1037367013 /nfs/dbraw/zinc/36/70/13/1037367013.db2.gz RLZRHOGAPBDAQI-UHFFFAOYSA-N 1 0 341.252 4.408 20 30 EIEDRO CCC(CC)[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000604434796 1037391889 /nfs/dbraw/zinc/39/18/89/1037391889.db2.gz KXMHACNWJOZITE-UHFFFAOYSA-N 1 0 341.499 4.203 20 30 EIEDRO C=CCCCCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000488239198 1037446362 /nfs/dbraw/zinc/44/63/62/1037446362.db2.gz YJAGWLJRGWMKHA-SFHVURJKSA-N 1 0 330.472 4.153 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000488336749 1037517723 /nfs/dbraw/zinc/51/77/23/1037517723.db2.gz UOYGTUZGMNAWTP-NHCUHLMSSA-N 1 0 340.511 4.213 20 30 EIEDRO CCC1CCC([N@H+](CCO)Cc2cccc(OCCCC#N)c2)CC1 ZINC000488578852 1037676334 /nfs/dbraw/zinc/67/63/34/1037676334.db2.gz HTAHFCUVSAUMQZ-UHFFFAOYSA-N 1 0 344.499 4.132 20 30 EIEDRO CCOc1ccccc1[C@H](CC)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573689011 1037684622 /nfs/dbraw/zinc/68/46/22/1037684622.db2.gz ZKWXNMMUBOJGHR-KRWDZBQOSA-N 1 0 339.395 4.106 20 30 EIEDRO C=CCCC[N@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000605150383 1037693939 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EIEDRO CCCC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCc2ncsc2C1 ZINC000592187206 1037779916 /nfs/dbraw/zinc/77/99/16/1037779916.db2.gz IFFPECCJKWTELL-KRWDZBQOSA-N 1 0 325.481 4.174 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605399197 1037782753 /nfs/dbraw/zinc/78/27/53/1037782753.db2.gz LYSHYVBKFWZFQT-UHFFFAOYSA-N 1 0 349.459 4.137 20 30 EIEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000592399268 1037786750 /nfs/dbraw/zinc/78/67/50/1037786750.db2.gz WWQSNGKTVARDHL-SGBLEOHJSA-N 1 0 326.484 4.326 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000592390745 1037793799 /nfs/dbraw/zinc/79/37/99/1037793799.db2.gz RICZWUYEZNTJQM-MFKMUULPSA-N 1 0 327.653 4.274 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCc3cc(Br)ccc32)cc1 ZINC000592391608 1037796839 /nfs/dbraw/zinc/79/68/39/1037796839.db2.gz IMTWZRKMHYMIRC-SFHVURJKSA-N 1 0 341.252 4.292 20 30 EIEDRO CCC(CC)[N@H+](CCOC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000573970744 1037798060 /nfs/dbraw/zinc/79/80/60/1037798060.db2.gz MTSMAOOYWKLTTP-UHFFFAOYSA-N 1 0 328.378 4.214 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)nc1 ZINC000783301600 1037807859 /nfs/dbraw/zinc/80/78/59/1037807859.db2.gz YZANTFFSQQZXBV-MRXNPFEDSA-N 1 0 329.856 4.323 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2-c2cccs2)CC1 ZINC000592524206 1037826003 /nfs/dbraw/zinc/82/60/03/1037826003.db2.gz ZKXZGQPXWZGHKS-UHFFFAOYSA-N 1 0 341.480 4.187 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000172116975 1037857530 /nfs/dbraw/zinc/85/75/30/1037857530.db2.gz RPJYASUYQOVEHU-YADHBBJMSA-N 1 0 335.447 4.099 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000605877523 1037875353 /nfs/dbraw/zinc/87/53/53/1037875353.db2.gz HBJAUMMZDMKYHU-UHFFFAOYSA-N 1 0 343.515 4.170 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccco1 ZINC000574062019 1037916054 /nfs/dbraw/zinc/91/60/54/1037916054.db2.gz DBXMHEPEVYPMQG-OAHLLOKOSA-N 1 0 327.403 4.145 20 30 EIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC000093492375 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331.463 4.474 20 30 EIEDRO CCCCCCC[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000172650405 1038234783 /nfs/dbraw/zinc/23/47/83/1038234783.db2.gz NVKSLTHSBLQSDT-UHFFFAOYSA-N 1 0 332.488 4.316 20 30 EIEDRO C=C(C)COc1cc(CNCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1OC ZINC000594053254 1038241853 /nfs/dbraw/zinc/24/18/53/1038241853.db2.gz RFKILGWLAXYJLC-HDICACEKSA-N 1 0 346.515 4.003 20 30 EIEDRO COc1ccc(Cl)c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594033704 1038249364 /nfs/dbraw/zinc/24/93/64/1038249364.db2.gz YQULEYNLYPZEQA-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]CC1(c2cccs2)CCCCC1 ZINC000606911714 1038302576 /nfs/dbraw/zinc/30/25/76/1038302576.db2.gz KUTANUFKOHOKBH-KRWDZBQOSA-N 1 0 346.540 4.129 20 30 EIEDRO CC[C@H](C)Sc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)c(C)c1 ZINC000594431959 1038332713 /nfs/dbraw/zinc/33/27/13/1038332713.db2.gz TWHVLLYSBILUNY-GOEBONIOSA-N 1 0 333.501 4.235 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1 ZINC000594495114 1038346066 /nfs/dbraw/zinc/34/60/66/1038346066.db2.gz OYAIDDJYDRYZFX-UHFFFAOYSA-N 1 0 344.462 4.022 20 30 EIEDRO Cn1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c(-c2ccccc2)n1 ZINC000594502132 1038347754 /nfs/dbraw/zinc/34/77/54/1038347754.db2.gz XMGZETZXWLTXNQ-UHFFFAOYSA-N 1 0 344.462 4.178 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000594505583 1038351030 /nfs/dbraw/zinc/35/10/30/1038351030.db2.gz VFKSRWBECXQNCV-GOSISDBHSA-N 1 0 344.524 4.022 20 30 EIEDRO Cn1cc(-c2ccccc2C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594503843 1038351280 /nfs/dbraw/zinc/35/12/80/1038351280.db2.gz CAUBVNNEQRPOGC-UHFFFAOYSA-N 1 0 344.462 4.178 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)Oc1ccccc1F ZINC000594514094 1038357317 /nfs/dbraw/zinc/35/73/17/1038357317.db2.gz PHRWUKZKTFUARX-HNNXBMFYSA-N 1 0 326.415 4.184 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594516418 1038357835 /nfs/dbraw/zinc/35/78/35/1038357835.db2.gz QJBMUHFSNIXLMA-UHOFOFEASA-N 1 0 348.512 4.102 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000594512881 1038358722 /nfs/dbraw/zinc/35/87/22/1038358722.db2.gz SJYHPYIMBMMVAZ-QSRFUDQGSA-N 1 0 338.495 4.328 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594513721 1038359157 /nfs/dbraw/zinc/35/91/57/1038359157.db2.gz GSOCZYFROUEGMG-OWCLPIDISA-N 1 0 336.520 4.298 20 30 EIEDRO COc1cc2c(cc1C[NH2+]C1(c3ccc(C#N)cc3)CCC1)O[C@H](C)C2 ZINC000594521903 1038361093 /nfs/dbraw/zinc/36/10/93/1038361093.db2.gz VMGOEPKGFGELJS-OAHLLOKOSA-N 1 0 348.446 4.059 20 30 EIEDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594519235 1038361552 /nfs/dbraw/zinc/36/15/52/1038361552.db2.gz VUCATZUFISEJCF-SFHVURJKSA-N 1 0 336.410 4.362 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000594532551 1038365974 /nfs/dbraw/zinc/36/59/74/1038365974.db2.gz CUUWGOOZABRUPZ-HNNXBMFYSA-N 1 0 346.434 4.016 20 30 EIEDRO CCC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(F)cc1F ZINC000150944082 1038380425 /nfs/dbraw/zinc/38/04/25/1038380425.db2.gz NJMCBHZSNUXQMP-GOSISDBHSA-N 1 0 330.378 4.476 20 30 EIEDRO COc1ccc([C@@H]([NH2+]CC2(CC#N)CC2)c2ccccc2OC)cc1 ZINC000594702726 1038391933 /nfs/dbraw/zinc/39/19/33/1038391933.db2.gz LLGNEKAEDHBZDL-HXUWFJFHSA-N 1 0 336.435 4.077 20 30 EIEDRO CC(C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000063495795 1038394859 /nfs/dbraw/zinc/39/48/59/1038394859.db2.gz LCUHVGPBMJPGPV-UHFFFAOYSA-N 1 0 347.528 4.194 20 30 EIEDRO CCOCCC1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCCC1 ZINC000594930843 1038416177 /nfs/dbraw/zinc/41/61/77/1038416177.db2.gz ATUJQVLWPIABCZ-UHFFFAOYSA-N 1 0 326.484 4.318 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3ccc4ccccc4n3)cc2)CC1 ZINC000594918765 1038426388 /nfs/dbraw/zinc/42/63/88/1038426388.db2.gz SBAQXOJDQAKAAS-UHFFFAOYSA-N 1 0 327.431 4.122 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccco1 ZINC000594918754 1038427334 /nfs/dbraw/zinc/42/73/34/1038427334.db2.gz RWNZBHLRKLEGJD-IBGZPJMESA-N 1 0 337.467 4.007 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(OC4CCCC4)nc3)cc2)CC1 ZINC000594927142 1038429327 /nfs/dbraw/zinc/42/93/27/1038429327.db2.gz YGOKEWPWJZISHF-UHFFFAOYSA-N 1 0 347.462 4.248 20 30 EIEDRO CCCOCc1ccccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594927192 1038431220 /nfs/dbraw/zinc/43/12/20/1038431220.db2.gz ZDAWLXKFNNFECZ-UHFFFAOYSA-N 1 0 334.463 4.458 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(C4CC4)cc3)CCOCC2)c1 ZINC000594979250 1038485524 /nfs/dbraw/zinc/48/55/24/1038485524.db2.gz GRTGFZFMAQSPAM-UHFFFAOYSA-N 1 0 332.447 4.231 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H](C[C@@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000594933921 1038489728 /nfs/dbraw/zinc/48/97/28/1038489728.db2.gz ARJFGJDXDVSUFV-SIKLNZKXSA-N 1 0 346.474 4.499 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3ccccc3OC(F)F)cc2)CC1 ZINC000594938718 1038499669 /nfs/dbraw/zinc/49/96/69/1038499669.db2.gz PDWIVUYQNFJRHD-UHFFFAOYSA-N 1 0 342.389 4.175 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCc4cc(F)c(F)c(F)c43)cc2)CC1 ZINC000594958699 1038542670 /nfs/dbraw/zinc/54/26/70/1038542670.db2.gz OJSWGBDRHDIZDC-INIZCTEOSA-N 1 0 342.364 4.436 20 30 EIEDRO Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424111556 1038585577 /nfs/dbraw/zinc/58/55/77/1038585577.db2.gz HOARHRPMRAEECI-QGZVFWFLSA-N 1 0 345.512 4.380 20 30 EIEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000424116829 1038596299 /nfs/dbraw/zinc/59/62/99/1038596299.db2.gz APKILHICJRJLPD-ROUUACIJSA-N 1 0 347.890 4.099 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000424192529 1038730631 /nfs/dbraw/zinc/73/06/31/1038730631.db2.gz JCUCIPUYHMYGLM-XLIONFOSSA-N 1 0 342.446 4.321 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)cc1 ZINC000424290082 1038769251 /nfs/dbraw/zinc/76/92/51/1038769251.db2.gz BCFLADRPLIJOGC-NNWRFLSQSA-N 1 0 337.463 4.160 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000424300664 1038774829 /nfs/dbraw/zinc/77/48/29/1038774829.db2.gz YJZQRYWYIASZBY-ZLIFDBKOSA-N 1 0 336.273 4.007 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000424298246 1038775090 /nfs/dbraw/zinc/77/50/90/1038775090.db2.gz SEJCMIBREUSMHM-LPHOPBHVSA-N 1 0 329.390 4.235 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000424300286 1038775628 /nfs/dbraw/zinc/77/56/28/1038775628.db2.gz XJUYKNFPLJSPBD-JQFCIGGWSA-N 1 0 336.273 4.007 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000424301269 1038779340 /nfs/dbraw/zinc/77/93/40/1038779340.db2.gz ZOPXSOYRNNFNPL-MDKPJZGXSA-N 1 0 334.419 4.098 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000554940323 1038781964 /nfs/dbraw/zinc/78/19/64/1038781964.db2.gz CQJDXBQPAOYWRO-UHFFFAOYSA-N 1 0 344.528 4.331 20 30 EIEDRO CCc1ncc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000084024240 1038782762 /nfs/dbraw/zinc/78/27/62/1038782762.db2.gz LXAUFGRWMQMGKW-UHFFFAOYSA-N 1 0 341.480 4.057 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)C1 ZINC000424320017 1038802805 /nfs/dbraw/zinc/80/28/05/1038802805.db2.gz FKVHBTORLBOMCN-WDMOLILDSA-N 1 0 325.239 4.489 20 30 EIEDRO CN1Cc2ccccc2[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000539056001 1038803112 /nfs/dbraw/zinc/80/31/12/1038803112.db2.gz ROWOSGKVXGZNQN-GTMAMOSYSA-N 1 0 345.490 4.167 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)C1 ZINC000424326518 1038806065 /nfs/dbraw/zinc/80/60/65/1038806065.db2.gz MAHBBJSEPFRMKF-ZVWUFJHRSA-N 1 0 339.664 4.372 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000424328035 1038808485 /nfs/dbraw/zinc/80/84/85/1038808485.db2.gz NSTXFEUSRQUORO-OUAUKWLOSA-N 1 0 346.324 4.232 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000554987991 1038812253 /nfs/dbraw/zinc/81/22/53/1038812253.db2.gz HTNFZHFSPMATIV-IFXJQAMLSA-N 1 0 336.435 4.222 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000539087043 1038816692 /nfs/dbraw/zinc/81/66/92/1038816692.db2.gz PXOSDLKZGVBMJD-CYBMUJFWSA-N 1 0 348.324 4.316 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cc(F)ccc1F ZINC000539070082 1038819736 /nfs/dbraw/zinc/81/97/36/1038819736.db2.gz HCVSYLGPCBMGKN-ZDUSSCGKSA-N 1 0 332.419 4.420 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1OC(F)F ZINC000554998163 1038822272 /nfs/dbraw/zinc/82/22/72/1038822272.db2.gz VIRUERNZXDYAQS-YVEFUNNKSA-N 1 0 328.362 4.498 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1OC(F)F ZINC000554998161 1038823035 /nfs/dbraw/zinc/82/30/35/1038823035.db2.gz VIRUERNZXDYAQS-SJKOYZFVSA-N 1 0 328.362 4.498 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(F)c2)ccc1OC ZINC000174091554 1038840495 /nfs/dbraw/zinc/84/04/95/1038840495.db2.gz FCFLFALAPBYAAU-KDOFPFPSSA-N 1 0 342.414 4.366 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000505038902 1038917045 /nfs/dbraw/zinc/91/70/45/1038917045.db2.gz LIVNMDVBMJSPIW-SFHVURJKSA-N 1 0 343.515 4.439 20 30 EIEDRO CC[NH+](CC)CCCC1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000543876923 1038944281 /nfs/dbraw/zinc/94/42/81/1038944281.db2.gz KXIFOGIBPCVSEY-UHFFFAOYSA-N 1 0 331.479 4.031 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000539380177 1039038869 /nfs/dbraw/zinc/03/88/69/1039038869.db2.gz ZUUATAMQAXSELP-CQSZACIVSA-N 1 0 328.799 4.259 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000552091228 1039117806 /nfs/dbraw/zinc/11/78/06/1039117806.db2.gz FSPCHDPQCLPCJG-LJQANCHMSA-N 1 0 325.456 4.386 20 30 EIEDRO C[C@H]1CSCC[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537630441 1039167548 /nfs/dbraw/zinc/16/75/48/1039167548.db2.gz WZYOVTRSTPRLFJ-INIZCTEOSA-N 1 0 338.476 4.075 20 30 EIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000537632669 1039272039 /nfs/dbraw/zinc/27/20/39/1039272039.db2.gz JSBMGIMEGFJXGV-NHCUHLMSSA-N 1 0 344.462 4.283 20 30 EIEDRO C[C@@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(C#N)s2)CC1 ZINC000537632888 1039307387 /nfs/dbraw/zinc/30/73/87/1039307387.db2.gz XQPWRPYCYBKODP-AWEZNQCLSA-N 1 0 345.899 4.152 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)C1CC1 ZINC000121132865 1039315072 /nfs/dbraw/zinc/31/50/72/1039315072.db2.gz IMDOUZYQUWCIQA-OAQYLSRUSA-N 1 0 329.484 4.217 20 30 EIEDRO CC[C@H](c1ccc(F)cc1F)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000537634984 1039320227 /nfs/dbraw/zinc/32/02/27/1039320227.db2.gz LWHACNCXYOKGQE-LJQANCHMSA-N 1 0 349.469 4.363 20 30 EIEDRO N#CCC[N@@H+](CC/C=C/c1ccc(Br)cc1)CC1CC1 ZINC000478023793 1039348147 /nfs/dbraw/zinc/34/81/47/1039348147.db2.gz JONMVZPEGBHXAP-DAFODLJHSA-N 1 0 333.273 4.478 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)C1 ZINC000552323302 1039379195 /nfs/dbraw/zinc/37/91/95/1039379195.db2.gz DDXWKGGBAVKZIM-NWDGAFQWSA-N 1 0 339.302 4.214 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000552324078 1039379001 /nfs/dbraw/zinc/37/90/01/1039379001.db2.gz ZTVFETFNAXQXPL-OAHLLOKOSA-N 1 0 326.396 4.319 20 30 EIEDRO C=CCC[C@H]([NH2+]CCC(=O)Nc1cc(Cl)ccc1OC)C1CC1 ZINC000121516740 1039387196 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C=CCC[C@H]([NH2+]C[C@H](c1cccs1)N1CCOCC1)c1ccco1 ZINC000514091575 1039594057 /nfs/dbraw/zinc/59/40/57/1039594057.db2.gz ZRMBGDANQZGAOQ-DLBZAZTESA-N 1 0 346.496 4.012 20 30 EIEDRO CCCc1ccc([C@@H]([NH2+]C[C@H](O)CC2(C#N)CCC2)C(C)C)cc1 ZINC001168349749 1039607454 /nfs/dbraw/zinc/60/74/54/1039607454.db2.gz CGYSPQFOOQOGLB-UXHICEINSA-N 1 0 328.500 4.371 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1F ZINC000550856487 1039645235 /nfs/dbraw/zinc/64/52/35/1039645235.db2.gz JVJIIUTZVQSUFD-LLVKDONJSA-N 1 0 337.320 4.004 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000237502214 1039691995 /nfs/dbraw/zinc/69/19/95/1039691995.db2.gz VZSVLVSAQHTUSC-SCLBCKFNSA-N 1 0 342.439 4.443 20 30 EIEDRO CO[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000481665998 1039714251 /nfs/dbraw/zinc/71/42/51/1039714251.db2.gz GGTOCGSBWUJYKF-NHCUHLMSSA-N 1 0 338.426 4.442 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000481665881 1039714789 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4.105 20 30 EIEDRO CC[C@@H](C[N@H+](CC)CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481744661 1039807926 /nfs/dbraw/zinc/80/79/26/1039807926.db2.gz BSDFRLJWLHCTCK-SFHVURJKSA-N 1 0 349.478 4.403 20 30 EIEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000537648866 1039827562 /nfs/dbraw/zinc/82/75/62/1039827562.db2.gz WKUWIYQAGIKSJB-LJQANCHMSA-N 1 0 332.451 4.049 20 30 EIEDRO Cc1ccc(CNc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000600553522 1039834087 /nfs/dbraw/zinc/83/40/87/1039834087.db2.gz UJTDIWGUMVEKGN-HDICACEKSA-N 1 0 349.478 4.088 20 30 EIEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000434770277 1039865797 /nfs/dbraw/zinc/86/57/97/1039865797.db2.gz ZMZNIBNTTVNTIA-IWCVFHTOSA-N 1 0 327.472 4.058 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccc(OCc2ccccc2)c1 ZINC000434797729 1039867466 /nfs/dbraw/zinc/86/74/66/1039867466.db2.gz ZMVAKABMYROBTF-QGZVFWFLSA-N 1 0 345.446 4.327 20 30 EIEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000434788157 1039868946 /nfs/dbraw/zinc/86/89/46/1039868946.db2.gz XZURJOFSWQLKOA-AGERRDQYSA-N 1 0 327.472 4.058 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924986663 1039954890 /nfs/dbraw/zinc/95/48/90/1039954890.db2.gz MKNHBURBTXEHOE-LBPRGKRZSA-N 1 0 332.435 4.458 20 30 EIEDRO C=C(C)[C@@H](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)OCC ZINC000535138786 1039994004 /nfs/dbraw/zinc/99/40/04/1039994004.db2.gz SBNXWNROFVDIEY-YLJYHZDGSA-N 1 0 344.499 4.228 20 30 EIEDRO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]CCCC(C)(C)C#N ZINC000482166453 1040055001 /nfs/dbraw/zinc/05/50/01/1040055001.db2.gz UWJBMMAVDUVHHB-HXUWFJFHSA-N 1 0 341.543 4.379 20 30 EIEDRO C=CCC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000435097491 1040063273 /nfs/dbraw/zinc/06/32/73/1040063273.db2.gz GYPQBHGABMXHHX-QUCCMNQESA-N 1 0 343.515 4.114 20 30 EIEDRO C=CCC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000435097490 1040064993 /nfs/dbraw/zinc/06/49/93/1040064993.db2.gz GYPQBHGABMXHHX-ICSRJNTNSA-N 1 0 343.515 4.114 20 30 EIEDRO N#Cc1csc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000514638541 1040073685 /nfs/dbraw/zinc/07/36/85/1040073685.db2.gz CPJFJCRDLIHAKE-UHFFFAOYSA-N 1 0 341.411 4.280 20 30 EIEDRO CCCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000551218959 1040077368 /nfs/dbraw/zinc/07/73/68/1040077368.db2.gz KTDYALVRUHVKST-UHFFFAOYSA-N 1 0 349.478 4.106 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000476979109 1040079973 /nfs/dbraw/zinc/07/99/73/1040079973.db2.gz CTJRGXITBDTMNJ-KRWDZBQOSA-N 1 0 343.490 4.174 20 30 EIEDRO COc1cc(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)ccc1Cl ZINC000551306958 1040179930 /nfs/dbraw/zinc/17/99/30/1040179930.db2.gz PMBGAQWAKBNCDD-GOSISDBHSA-N 1 0 326.827 4.040 20 30 EIEDRO CCc1ccc([C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)N(C)C)cc1 ZINC000514820794 1040258193 /nfs/dbraw/zinc/25/81/93/1040258193.db2.gz PIRHZPGAQSKBNT-VXKWHMMOSA-N 1 0 333.479 4.000 20 30 EIEDRO CC[N@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000482453655 1040263624 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/nfs/dbraw/zinc/59/46/62/1040594662.db2.gz IHRZEUPCEDVETQ-UGKGYDQZSA-N 1 0 337.463 4.433 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000553864840 1040594764 /nfs/dbraw/zinc/59/47/64/1040594764.db2.gz ALZQDTIUHRFQQV-WIYYLYMNSA-N 1 0 340.511 4.069 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000435742386 1040596495 /nfs/dbraw/zinc/59/64/95/1040596495.db2.gz UOSHLNZHBDNOML-WFASDCNBSA-N 1 0 344.680 4.173 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000435746187 1040599013 /nfs/dbraw/zinc/59/90/13/1040599013.db2.gz UOKJXELPXQDCRH-GHTZIAJQSA-N 1 0 338.451 4.253 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(C#N)c(F)c1 ZINC000539602256 1040599635 /nfs/dbraw/zinc/59/96/35/1040599635.db2.gz FIUUABOYSAZGEC-RDTXWAMCSA-N 1 0 343.471 4.247 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000551789474 1040601285 /nfs/dbraw/zinc/60/12/85/1040601285.db2.gz OMKMEHQFJKFMBH-XKQJLSEDSA-N 1 0 327.390 4.116 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000539607374 1040605456 /nfs/dbraw/zinc/60/54/56/1040605456.db2.gz LEHVDUFCHGQIDO-CXAGYDPISA-N 1 0 343.833 4.280 20 30 EIEDRO C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428792513 1040657476 /nfs/dbraw/zinc/65/74/76/1040657476.db2.gz HHSSMMLZKXMDNG-IIBYNOLFSA-N 1 0 343.430 4.321 20 30 EIEDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000553993293 1040686367 /nfs/dbraw/zinc/68/63/67/1040686367.db2.gz UBJWKFIIKDIYGC-GOSISDBHSA-N 1 0 339.464 4.031 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc(OC4CC4)c3F)CCC2)cc1 ZINC000594948665 1040688362 /nfs/dbraw/zinc/68/83/62/1040688362.db2.gz ALUUWXLQLPGQJK-UHFFFAOYSA-N 1 0 336.410 4.408 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1Cl ZINC000537725741 1040773788 /nfs/dbraw/zinc/77/37/88/1040773788.db2.gz YVHHLLTZVFLSLN-MAUKXSAKSA-N 1 0 345.874 4.184 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(N(C)C(C)C)nc1 ZINC000483293251 1040800541 /nfs/dbraw/zinc/80/05/41/1040800541.db2.gz UMITXOSAPGQWII-UHFFFAOYSA-N 1 0 339.483 4.123 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000539836710 1040831642 /nfs/dbraw/zinc/83/16/42/1040831642.db2.gz ACZAQAGBLIZIHZ-UHFFFAOYSA-N 1 0 346.478 4.391 20 30 EIEDRO Cc1cc(C)c(C#N)c(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000515551783 1040851643 /nfs/dbraw/zinc/85/16/43/1040851643.db2.gz SAOJPANFHVWJEC-MRXNPFEDSA-N 1 0 348.494 4.414 20 30 EIEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000479995417 1040852241 /nfs/dbraw/zinc/85/22/41/1040852241.db2.gz LBFURHDMOPGJCU-AZUAARDMSA-N 1 0 336.483 4.263 20 30 EIEDRO C[C@@H](c1ccsc1)[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000462703736 1040854879 /nfs/dbraw/zinc/85/48/79/1040854879.db2.gz LWWTXZDAUUPDDW-ZDUSSCGKSA-N 1 0 331.872 4.156 20 30 EIEDRO C=CCC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000480002384 1040857900 /nfs/dbraw/zinc/85/79/00/1040857900.db2.gz RBZRGKKLQQJKCA-UHFFFAOYSA-N 1 0 330.472 4.092 20 30 EIEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(F)cc1 ZINC000137274282 1040873585 /nfs/dbraw/zinc/87/35/85/1040873585.db2.gz LPBSSONUCRJFJA-KRWDZBQOSA-N 1 0 345.443 4.074 20 30 EIEDRO C=CCC[C@H](C)[NH2+]Cc1nc2cc(Br)ccc2n1CC ZINC000483513322 1040883036 /nfs/dbraw/zinc/88/30/36/1040883036.db2.gz ZJCQZPZTIXHBAM-LBPRGKRZSA-N 1 0 336.277 4.263 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](OCC)C23CCCC3)cc1OC ZINC000462754680 1040890813 /nfs/dbraw/zinc/89/08/13/1040890813.db2.gz JNYIHYTYKWJJAR-VQTJNVASSA-N 1 0 345.483 4.087 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000462769136 1040902472 /nfs/dbraw/zinc/90/24/72/1040902472.db2.gz XCHVYCSAPSBNJG-UHFFFAOYSA-N 1 0 336.366 4.126 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000539923997 1040909718 /nfs/dbraw/zinc/90/97/18/1040909718.db2.gz OOZXIXBCFXZQNX-HYXAFXHYSA-N 1 0 345.402 4.269 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)[C@@H](C)C(=O)NC(CC)CC ZINC000554243279 1040913068 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CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554363064 1041042075 /nfs/dbraw/zinc/04/20/75/1041042075.db2.gz GDGQAQMFENVRFF-WBVHZDCISA-N 1 0 329.444 4.226 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000483888027 1041058562 /nfs/dbraw/zinc/05/85/62/1041058562.db2.gz SUJAKDBREILVSD-LJQANCHMSA-N 1 0 349.563 4.419 20 30 EIEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000538124136 1041058319 /nfs/dbraw/zinc/05/83/19/1041058319.db2.gz BISYAJZSWFESGW-ZDUSSCGKSA-N 1 0 339.357 4.240 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000538124134 1041058871 /nfs/dbraw/zinc/05/88/71/1041058871.db2.gz BISYAJZSWFESGW-CYBMUJFWSA-N 1 0 339.357 4.240 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000436301952 1041071917 /nfs/dbraw/zinc/07/19/17/1041071917.db2.gz PUCZWOJQESHVJO-MDYRTPRTSA-N 1 0 333.472 4.116 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1F ZINC000483956173 1041074458 /nfs/dbraw/zinc/07/44/58/1041074458.db2.gz NTDDLEKWUSJIJD-INIZCTEOSA-N 1 0 326.440 4.312 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000436306157 1041075587 /nfs/dbraw/zinc/07/55/87/1041075587.db2.gz JOJDNQXECJNLFI-CLCXKQKWSA-N 1 0 329.440 4.382 20 30 EIEDRO Cc1cccc2nc(C3CC[NH+](CC#Cc4ccccc4)CC3)oc21 ZINC000483987387 1041082873 /nfs/dbraw/zinc/08/28/73/1041082873.db2.gz YIRXOPWBVBDZRA-UHFFFAOYSA-N 1 0 330.431 4.367 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1-n1cccn1 ZINC000538158533 1041100458 /nfs/dbraw/zinc/10/04/58/1041100458.db2.gz DXJIEWWOJQVETD-MRXNPFEDSA-N 1 0 335.838 4.228 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000554452536 1041126855 /nfs/dbraw/zinc/12/68/55/1041126855.db2.gz POGVCVIZZMNSNR-FXAUUADQSA-N 1 0 341.458 4.317 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000480273137 1041152384 /nfs/dbraw/zinc/15/23/84/1041152384.db2.gz GHTQEZKHWRCUJM-ROUUACIJSA-N 1 0 347.384 4.341 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000425531148 1041172955 /nfs/dbraw/zinc/17/29/55/1041172955.db2.gz GUBDBIAFHBISDN-CYBMUJFWSA-N 1 0 349.356 4.087 20 30 EIEDRO Cc1cc(C#N)ccc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000161387203 1041183178 /nfs/dbraw/zinc/18/31/78/1041183178.db2.gz VIYYHJBWJHBCDH-UHFFFAOYSA-N 1 0 333.435 4.105 20 30 EIEDRO N#Cc1cccc(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000436401008 1041207719 /nfs/dbraw/zinc/20/77/19/1041207719.db2.gz SHSXBDAXZHIYSO-UHFFFAOYSA-N 1 0 330.353 4.398 20 30 EIEDRO Cc1ccncc1[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000540175756 1041221818 /nfs/dbraw/zinc/22/18/18/1041221818.db2.gz MUTKDJRYBOTWSM-IVMQYODDSA-N 1 0 335.451 4.303 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000161495006 1041235675 /nfs/dbraw/zinc/23/56/75/1041235675.db2.gz IFZZZMBRRYOCEH-INIZCTEOSA-N 1 0 341.451 4.428 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000161509307 1041237258 /nfs/dbraw/zinc/23/72/58/1041237258.db2.gz JQRQUEHSSKHEPV-INIZCTEOSA-N 1 0 339.435 4.264 20 30 EIEDRO COc1cc(F)cc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000515924981 1041257169 /nfs/dbraw/zinc/25/71/69/1041257169.db2.gz RUWAVXUYXVYVQF-UHFFFAOYSA-N 1 0 338.304 4.015 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(C#N)s2)ccc1OC1CCCC1 ZINC000538327018 1041266100 /nfs/dbraw/zinc/26/61/00/1041266100.db2.gz CKDYEOGMNCZCHT-UHFFFAOYSA-N 1 0 342.464 4.240 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)CC1CCCCC1 ZINC000484662706 1041380713 /nfs/dbraw/zinc/38/07/13/1041380713.db2.gz IQTJZDRIHJOBLC-UHFFFAOYSA-N 1 0 342.483 4.286 20 30 EIEDRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]CCCCC#N)cc1 ZINC000484656169 1041383908 /nfs/dbraw/zinc/38/39/08/1041383908.db2.gz TYPRPAYRXZVIRA-PMACEKPBSA-N 1 0 330.472 4.449 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538508228 1041396567 /nfs/dbraw/zinc/39/65/67/1041396567.db2.gz CVLSVQFQGWJZGL-YRNRMSPPSA-N 1 0 337.442 4.183 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000042123410 1041424016 /nfs/dbraw/zinc/42/40/16/1041424016.db2.gz IYXUPRDKXYEJQS-CQSZACIVSA-N 1 0 330.497 4.166 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000538603991 1041438494 /nfs/dbraw/zinc/43/84/94/1041438494.db2.gz GREYXZPSJWRTKG-UHFFFAOYSA-N 1 0 340.348 4.395 20 30 EIEDRO Clc1ccccc1C#CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540397170 1041440538 /nfs/dbraw/zinc/44/05/38/1041440538.db2.gz FRRMXNCSVLXNCD-QUCCMNQESA-N 1 0 325.839 4.059 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000540397564 1041442200 /nfs/dbraw/zinc/44/22/00/1041442200.db2.gz NVVJNBHEOVLEGV-MJGOQNOKSA-N 1 0 325.452 4.101 20 30 EIEDRO N#Cc1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc2ccccc12 ZINC000461445336 1041445179 /nfs/dbraw/zinc/44/51/79/1041445179.db2.gz NIQKDQMBXKXATL-OAQYLSRUSA-N 1 0 342.446 4.355 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000463242371 1041448169 /nfs/dbraw/zinc/44/81/69/1041448169.db2.gz HUCGWCAKTMAPBO-NHCUHLMSSA-N 1 0 334.463 4.480 20 30 EIEDRO CC(C)CC[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCCC1 ZINC000325683942 1041460638 /nfs/dbraw/zinc/46/06/38/1041460638.db2.gz MCQZRSCDYDKSGM-UHFFFAOYSA-N 1 0 327.472 4.178 20 30 EIEDRO C[C@H](CN1CCCCCC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000480675925 1041466205 /nfs/dbraw/zinc/46/62/05/1041466205.db2.gz NELOGNZCPYZQBK-JSRJAPPDSA-N 1 0 339.527 4.245 20 30 EIEDRO CC1(C)CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000463283497 1041472729 /nfs/dbraw/zinc/47/27/29/1041472729.db2.gz UBDZIZAESMCKNW-HXUWFJFHSA-N 1 0 325.500 4.081 20 30 EIEDRO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001270130225 1041493017 /nfs/dbraw/zinc/49/30/17/1041493017.db2.gz FCVAQAQOWZXHCN-HXUWFJFHSA-N 1 0 340.511 4.150 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000904472305 1041498015 /nfs/dbraw/zinc/49/80/15/1041498015.db2.gz DYXMMVZSAFVAKY-VQIMIIECSA-N 1 0 329.488 4.177 20 30 EIEDRO C=CCOc1ccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1OC ZINC000538731273 1041502613 /nfs/dbraw/zinc/50/26/13/1041502613.db2.gz XEFJFTZUJYNWKX-MRXNPFEDSA-N 1 0 341.451 4.029 20 30 EIEDRO N#CCCCC[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000540591668 1041549160 /nfs/dbraw/zinc/54/91/60/1041549160.db2.gz KGIXFXRXRZZHGV-UHFFFAOYSA-N 1 0 326.271 4.199 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1[N+](=O)[O-] ZINC000540707552 1041606733 /nfs/dbraw/zinc/60/67/33/1041606733.db2.gz IJRLDPQWCICWDA-OLZOCXBDSA-N 1 0 327.359 4.326 20 30 EIEDRO Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(C#N)cc3F)cn(C)c2c1 ZINC000437074912 1041624582 /nfs/dbraw/zinc/62/45/82/1041624582.db2.gz IVHQGOBXJSXDFL-OAHLLOKOSA-N 1 0 335.426 4.391 20 30 EIEDRO C[C@H](CCc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437075985 1041627187 /nfs/dbraw/zinc/62/71/87/1041627187.db2.gz UBYJPOZEUVIEJC-MDMXATFFSA-N 1 0 349.478 4.254 20 30 EIEDRO CC(C)=CCC[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090297 1041637453 /nfs/dbraw/zinc/63/74/53/1041637453.db2.gz PPMQHRMZYZEIEH-IPJUCJBFSA-N 1 0 327.472 4.368 20 30 EIEDRO CC(C)=CCC[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090304 1041637571 /nfs/dbraw/zinc/63/75/71/1041637571.db2.gz PPMQHRMZYZEIEH-IVMQYODDSA-N 1 0 327.472 4.368 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000437096063 1041642547 /nfs/dbraw/zinc/64/25/47/1041642547.db2.gz MMVNNNYKMLIEBC-GUMHCPJTSA-N 1 0 339.483 4.202 20 30 EIEDRO Cc1ccccc1[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437097570 1041644267 /nfs/dbraw/zinc/64/42/67/1041644267.db2.gz VORSVAQUUDNUET-IPJUCJBFSA-N 1 0 335.451 4.303 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCC(Oc3ncccc3C#N)CC1)CC2 ZINC000437085935 1041647418 /nfs/dbraw/zinc/64/74/18/1041647418.db2.gz PWOPRAWHVJQKTO-GZNCHQMQSA-N 1 0 347.462 4.229 20 30 EIEDRO CC[C@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437113846 1041656856 /nfs/dbraw/zinc/65/68/56/1041656856.db2.gz XRJNLAWEYNVUAL-QNGMFEMESA-N 1 0 349.478 4.254 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1Cl ZINC000540768575 1041657028 /nfs/dbraw/zinc/65/70/28/1041657028.db2.gz RUSRLVBWEHGVRV-SFHVURJKSA-N 1 0 335.875 4.296 20 30 EIEDRO C=CCC[C@@H](CCC)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000540787826 1041671581 /nfs/dbraw/zinc/67/15/81/1041671581.db2.gz NFLJEUJQCOWSFL-QGZVFWFLSA-N 1 0 330.520 4.159 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)cc1OCCCC#N ZINC000540803277 1041682543 /nfs/dbraw/zinc/68/25/43/1041682543.db2.gz SQKGROHUTLCLDI-OALUTQOASA-N 1 0 342.483 4.436 20 30 EIEDRO C=CCCc1ccccc1NC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000516786907 1041755593 /nfs/dbraw/zinc/75/55/93/1041755593.db2.gz NYWLYMJIOTUEPR-UHFFFAOYSA-N 1 0 349.478 4.364 20 30 EIEDRO N#Cc1ccc(C(F)(F)F)c(N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000443442012 1041771893 /nfs/dbraw/zinc/77/18/93/1041771893.db2.gz BYUBEEDPDNPELT-UHFFFAOYSA-N 1 0 337.389 4.032 20 30 EIEDRO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437425132 1041798481 /nfs/dbraw/zinc/79/84/81/1041798481.db2.gz GHKKXXNTROPVDN-GFCCVEGCSA-N 1 0 334.341 4.492 20 30 EIEDRO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541084355 1041805599 /nfs/dbraw/zinc/80/55/99/1041805599.db2.gz GUYDBMPRPAGJHU-MRXNPFEDSA-N 1 0 349.478 4.181 20 30 EIEDRO CC[N@H+](CCCCOc1ccccc1C(F)(F)F)C[C@H](C)C#N ZINC000506055793 1041819185 /nfs/dbraw/zinc/81/91/85/1041819185.db2.gz HIYIFDBAQOUKPJ-CQSZACIVSA-N 1 0 328.378 4.346 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(-c2ccncc2)c1 ZINC000090107267 1041833328 /nfs/dbraw/zinc/83/33/28/1041833328.db2.gz WEMCKWZJNJJBHS-KRWDZBQOSA-N 1 0 343.430 4.350 20 30 EIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccc(OC)cc1 ZINC000437588397 1041852386 /nfs/dbraw/zinc/85/23/86/1041852386.db2.gz BNTZOZJWAZKAJL-UHFFFAOYSA-N 1 0 339.464 4.335 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H](C)c1ccccc1 ZINC000541215342 1041855165 /nfs/dbraw/zinc/85/51/65/1041855165.db2.gz ZQMXZWDSPBSYMC-FBIZOPLVSA-N 1 0 349.478 4.425 20 30 EIEDRO Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)c(C)c1 ZINC000541281490 1041882618 /nfs/dbraw/zinc/88/26/18/1041882618.db2.gz GTBWEQOKVOVLRJ-UHFFFAOYSA-N 1 0 346.474 4.464 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000464435947 1042005596 /nfs/dbraw/zinc/00/55/96/1042005596.db2.gz BFCGOQGNNXZMIC-ROUUACIJSA-N 1 0 328.500 4.280 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000541628268 1042044793 /nfs/dbraw/zinc/04/47/93/1042044793.db2.gz JVKFNJDDBUXYNN-MRXNPFEDSA-N 1 0 344.480 4.384 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000541661460 1042060588 /nfs/dbraw/zinc/06/05/88/1042060588.db2.gz ZISKBOZYVQTEQB-PBHICJAKSA-N 1 0 330.497 4.405 20 30 EIEDRO Clc1cccc(C#CC[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000438170646 1042069637 /nfs/dbraw/zinc/06/96/37/1042069637.db2.gz QPHDQIAMFFLQKR-FQEVSTJZSA-N 1 0 339.866 4.230 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1)C(C)C ZINC000464644386 1042095170 /nfs/dbraw/zinc/09/51/70/1042095170.db2.gz BNAFGKPYYXSROH-UHFFFAOYSA-N 1 0 339.414 4.180 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000464648729 1042096276 /nfs/dbraw/zinc/09/62/76/1042096276.db2.gz NMLYTLMIHXODGM-SFHVURJKSA-N 1 0 328.500 4.281 20 30 EIEDRO N#CCC1CC[NH+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000541921760 1042173154 /nfs/dbraw/zinc/17/31/54/1042173154.db2.gz QCQDAKYZUXJBSE-SFHVURJKSA-N 1 0 348.874 4.023 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464838464 1042182883 /nfs/dbraw/zinc/18/28/83/1042182883.db2.gz ZVOMXVISLVJYBK-RBUKOAKNSA-N 1 0 333.479 4.216 20 30 EIEDRO CC[N@H+](Cc1cc(C(=O)OC)sc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000464868263 1042199391 /nfs/dbraw/zinc/19/93/91/1042199391.db2.gz KLZIRSWPGZYOGA-ZDUSSCGKSA-N 1 0 342.464 4.298 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000517889590 1042241229 /nfs/dbraw/zinc/24/12/29/1042241229.db2.gz YSMJHWMNFGVNEO-OXQOHEQNSA-N 1 0 334.463 4.409 20 30 EIEDRO Cn1cc(C[NH2+]Cc2ccccc2Oc2cccc(F)c2)cc1C#N ZINC000518035232 1042319960 /nfs/dbraw/zinc/31/99/60/1042319960.db2.gz ILEXEFCOYBLVQU-UHFFFAOYSA-N 1 0 335.382 4.118 20 30 EIEDRO CC(C)[N@H+](CCCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000542202289 1042332944 /nfs/dbraw/zinc/33/29/44/1042332944.db2.gz XVKGUHVZWCLKGY-UHFFFAOYSA-N 1 0 330.472 4.281 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)c2ccc(F)cc2)cc1OC ZINC000303188637 1042351617 /nfs/dbraw/zinc/35/16/17/1042351617.db2.gz LSPGGELQILKMJN-UHFFFAOYSA-N 1 0 343.442 4.467 20 30 EIEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000509554152 1042362803 /nfs/dbraw/zinc/36/28/03/1042362803.db2.gz PYURUMVJAUXKHV-INIZCTEOSA-N 1 0 347.462 4.493 20 30 EIEDRO CCN(Cc1ccc(CC#N)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000542282685 1042368537 /nfs/dbraw/zinc/36/85/37/1042368537.db2.gz ZJUSIFWSPXIVGX-XXBNENTESA-N 1 0 347.506 4.410 20 30 EIEDRO C[N@H+](CCc1ccc(Br)cc1)Cc1ccc(CC#N)cc1 ZINC000542282479 1042369889 /nfs/dbraw/zinc/36/98/89/1042369889.db2.gz SQIQRPXVCIZEHW-UHFFFAOYSA-N 1 0 343.268 4.190 20 30 EIEDRO C=CCN(CCc1ccco1)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000491368480 1042428094 /nfs/dbraw/zinc/42/80/94/1042428094.db2.gz QEFJCRJSWZUWQK-UHFFFAOYSA-N 1 0 341.386 4.008 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c1 ZINC000518248243 1042428562 /nfs/dbraw/zinc/42/85/62/1042428562.db2.gz ODNGZQRBDZGJNW-HXUWFJFHSA-N 1 0 340.467 4.161 20 30 EIEDRO COc1cccc(NC(=[NH2+])NCc2cc(C)cc3c(C)c(C)[nH]c32)c1 ZINC000261964133 1042443213 /nfs/dbraw/zinc/44/32/13/1042443213.db2.gz AKBNBDNCKOIDQE-UHFFFAOYSA-N 1 0 336.439 4.029 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000518279414 1042450600 /nfs/dbraw/zinc/45/06/00/1042450600.db2.gz UGOYDACXMAHIII-UHFFFAOYSA-N 1 0 342.508 4.309 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)C1CC1 ZINC000438987528 1042451971 /nfs/dbraw/zinc/45/19/71/1042451971.db2.gz UONUXFXBNOEATH-FQEVSTJZSA-N 1 0 335.451 4.168 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)C1CC1 ZINC000439075438 1042485771 /nfs/dbraw/zinc/48/57/71/1042485771.db2.gz CSLWBQVXYDYIEV-UKRRQHHQSA-N 1 0 344.282 4.068 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H](c1cccc(OC)c1)N1CCCC1)C1CC1 ZINC000439073609 1042485961 /nfs/dbraw/zinc/48/59/61/1042485961.db2.gz AFTQWOQDRPJZJG-LEWJYISDSA-N 1 0 328.500 4.167 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccsc1 ZINC000669938209 1042498291 /nfs/dbraw/zinc/49/82/91/1042498291.db2.gz HBIXTFJBTFMMCY-CYBMUJFWSA-N 1 0 332.494 4.316 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)cc1 ZINC000506524216 1042557468 /nfs/dbraw/zinc/55/74/68/1042557468.db2.gz IGOKWNPSPHYFDT-FQEVSTJZSA-N 1 0 341.499 4.121 20 30 EIEDRO Cc1cc(CC(C)(C)[NH2+]Cc2ccc(C#N)o2)ccc1Br ZINC000492107216 1042558333 /nfs/dbraw/zinc/55/83/33/1042558333.db2.gz OOVFVUCRMFJDGW-UHFFFAOYSA-N 1 0 347.256 4.333 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271960290 1042565452 /nfs/dbraw/zinc/56/54/52/1042565452.db2.gz QYWIYXFIAFHUOT-KQPNJSLMSA-N 1 0 346.352 4.156 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C(C)(C)c2ccccc2F)cc1OC ZINC000492378301 1042626126 /nfs/dbraw/zinc/62/61/26/1042626126.db2.gz SGZDSODVNAAGAZ-UHFFFAOYSA-N 1 0 329.415 4.424 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)c(Cl)c1 ZINC000439444477 1042628866 /nfs/dbraw/zinc/62/88/66/1042628866.db2.gz UVPGOQYXBILOHQ-UHFFFAOYSA-N 1 0 325.843 4.061 20 30 EIEDRO C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000439449157 1042635088 /nfs/dbraw/zinc/63/50/88/1042635088.db2.gz IASLCFPHEGCALU-KUHUBIRLSA-N 1 0 326.827 4.174 20 30 EIEDRO N#Cc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000439461634 1042647526 /nfs/dbraw/zinc/64/75/26/1042647526.db2.gz LOBPSBNTYRECPH-AZUAARDMSA-N 1 0 335.838 4.483 20 30 EIEDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(C#N)c(C)c1)c1ccsc1 ZINC000443970661 1042705175 /nfs/dbraw/zinc/70/51/75/1042705175.db2.gz REJOIQTXTJEMKX-LJQANCHMSA-N 1 0 327.497 4.101 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](COC)c2cccc(Cl)c2)cc1 ZINC000518827523 1042714617 /nfs/dbraw/zinc/71/46/17/1042714617.db2.gz WOHOFZQLYJWCRU-IBGZPJMESA-N 1 0 331.843 4.382 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+](CC)[C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000518848483 1042716073 /nfs/dbraw/zinc/71/60/73/1042716073.db2.gz IOPCGWFMSKCCKM-GOSISDBHSA-N 1 0 347.499 4.430 20 30 EIEDRO COCC[N@H+](CCCC(C)(C)C#N)Cc1ccc(F)cc1Cl ZINC000174864101 1042717543 /nfs/dbraw/zinc/71/75/43/1042717543.db2.gz MICDUFSQJUCYAB-UHFFFAOYSA-N 1 0 326.843 4.257 20 30 EIEDRO Cc1cc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)ccc1C#N ZINC000443981410 1042717744 /nfs/dbraw/zinc/71/77/44/1042717744.db2.gz AWGQDJRNKCGDHJ-UHFFFAOYSA-N 1 0 348.475 4.108 20 30 EIEDRO Cc1cc(C[NH2+]CC2(CCOCc3ccccc3)CC2)ccc1C#N ZINC000443992134 1042726902 /nfs/dbraw/zinc/72/69/02/1042726902.db2.gz XOKCVSCJOOKTAR-UHFFFAOYSA-N 1 0 334.463 4.343 20 30 EIEDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000492725391 1042732850 /nfs/dbraw/zinc/73/28/50/1042732850.db2.gz XIKWXFZUWKRQDS-GFCCVEGCSA-N 1 0 341.318 4.284 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccncc1OCc1ccccc1)c1ccc(C#N)cc1 ZINC000506652307 1042734828 /nfs/dbraw/zinc/73/48/28/1042734828.db2.gz FACAIIQXFINXMP-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO Cc1cc(CNc2cccc(N3CC[NH+](C(C)C)CC3)c2)ccc1C#N ZINC000443997901 1042740819 /nfs/dbraw/zinc/74/08/19/1042740819.db2.gz YRTWEGINJWUKHK-UHFFFAOYSA-N 1 0 348.494 4.009 20 30 EIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000492787994 1042750010 /nfs/dbraw/zinc/75/00/10/1042750010.db2.gz GUJNZPUIGMAQEJ-KRWDZBQOSA-N 1 0 341.252 4.138 20 30 EIEDRO Cc1cc(C)cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000507768842 1042861709 /nfs/dbraw/zinc/86/17/09/1042861709.db2.gz UMACRKMEUKJCRR-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO CC(C)C[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccc(C#N)cc1 ZINC000441520580 1042871245 /nfs/dbraw/zinc/87/12/45/1042871245.db2.gz DIQZFHCIOYVFSM-UHFFFAOYSA-N 1 0 334.463 4.194 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2CCC(C)C)c(C#N)c1C ZINC000493391828 1042899698 /nfs/dbraw/zinc/89/96/98/1042899698.db2.gz WVZVNZSFHZUUFM-ZVZYQTTQSA-N 1 0 345.487 4.290 20 30 EIEDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000609167807 1043021604 /nfs/dbraw/zinc/02/16/04/1043021604.db2.gz XIRBYCHIMWLSHY-FQEVSTJZSA-N 1 0 349.434 4.163 20 30 EIEDRO CC[NH+](CC)Cc1ccc(CNc2cc(C(C)=O)ccc2C#N)cc1 ZINC000347436669 1043025068 /nfs/dbraw/zinc/02/50/68/1043025068.db2.gz TVSTZHBMNRCTHZ-UHFFFAOYSA-N 1 0 335.451 4.215 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)c1O ZINC000186852293 1043080895 /nfs/dbraw/zinc/08/08/95/1043080895.db2.gz RSJCVZNZDQEXNB-GOSISDBHSA-N 1 0 344.480 4.231 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1c1cccs1 ZINC000008320412 1043082145 /nfs/dbraw/zinc/08/21/45/1043082145.db2.gz YHOMPGZKAMOUJF-HNNXBMFYSA-N 1 0 345.855 4.049 20 30 EIEDRO CC(C)(C)C[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000507819815 1043102758 /nfs/dbraw/zinc/10/27/58/1043102758.db2.gz WTKBUMBBLDJTPA-UHFFFAOYSA-N 1 0 341.480 4.107 20 30 EIEDRO Cc1nc(C)c(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000076869688 1043166040 /nfs/dbraw/zinc/16/60/40/1043166040.db2.gz ZXEAMXBEHDQNRP-UHFFFAOYSA-N 1 0 341.480 4.111 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC001168751090 1043271534 /nfs/dbraw/zinc/27/15/34/1043271534.db2.gz PHNKFEBTLIBXFG-KRWDZBQOSA-N 1 0 330.435 4.212 20 30 EIEDRO N#Cc1ccc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(F)c1 ZINC000311516321 1043293868 /nfs/dbraw/zinc/29/38/68/1043293868.db2.gz CEKSCHLONRHIBF-UHFFFAOYSA-N 1 0 349.453 4.190 20 30 EIEDRO C=CC[C@H]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000625699657 1043355079 /nfs/dbraw/zinc/35/50/79/1043355079.db2.gz CAFPTFICTXJJBG-JTQLQIEISA-N 1 0 347.673 4.483 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000625703007 1043360520 /nfs/dbraw/zinc/36/05/20/1043360520.db2.gz JNOMHCFAHSLWRX-GFCCVEGCSA-N 1 0 327.255 4.220 20 30 EIEDRO CC(C)(CC(F)(F)F)[NH2+]Cc1cc(C#N)ccc1Br ZINC000922038592 1043365266 /nfs/dbraw/zinc/36/52/66/1043365266.db2.gz ZQNLIVDSFKNODJ-UHFFFAOYSA-N 1 0 335.167 4.141 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000187681230 1043367673 /nfs/dbraw/zinc/36/76/73/1043367673.db2.gz GAEPDFGVONDJOG-IBGZPJMESA-N 1 0 332.513 4.085 20 30 EIEDRO N#Cc1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc2ccccc12 ZINC000312037167 1043381683 /nfs/dbraw/zinc/38/16/83/1043381683.db2.gz ZNAUDNQKOOIZTF-GOSISDBHSA-N 1 0 342.446 4.040 20 30 EIEDRO C=CCC[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000188911074 1043385686 /nfs/dbraw/zinc/38/56/86/1043385686.db2.gz FOZMYURKUDSJPI-ZWKOTPCHSA-N 1 0 342.508 4.217 20 30 EIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000922053531 1043388686 /nfs/dbraw/zinc/38/86/86/1043388686.db2.gz DGUYALKNCWDHNM-JTQLQIEISA-N 1 0 326.343 4.369 20 30 EIEDRO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499601365 1043389682 /nfs/dbraw/zinc/38/96/82/1043389682.db2.gz XAMJZRZDHASHLN-HOTGVXAUSA-N 1 0 330.447 4.234 20 30 EIEDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000366892061 1043432594 /nfs/dbraw/zinc/43/25/94/1043432594.db2.gz CZAIBEKOCRNBFL-FQEVSTJZSA-N 1 0 326.484 4.103 20 30 EIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000521823168 1043543745 /nfs/dbraw/zinc/54/37/45/1043543745.db2.gz LAWFADKBMPBJRK-NRFANRHFSA-N 1 0 349.478 4.406 20 30 EIEDRO CCOc1ccc(/C=N\Cc2ccccc2C[NH+]2CCCC2)c(O)c1 ZINC000730549926 1043555672 /nfs/dbraw/zinc/55/56/72/1043555672.db2.gz KMHJVVSENWUURL-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO N#CCN1CCC([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000730578824 1043557533 /nfs/dbraw/zinc/55/75/33/1043557533.db2.gz QDFSGRNMNYFQIK-UHFFFAOYSA-N 1 0 329.447 4.071 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cnc(Cl)s2)CC1 ZINC000895156271 1043628803 /nfs/dbraw/zinc/62/88/03/1043628803.db2.gz XFGBREHQJHTGFN-UHFFFAOYSA-N 1 0 331.872 4.290 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000171630488 1043633869 /nfs/dbraw/zinc/63/38/69/1043633869.db2.gz WQHLHSIJKZXXEV-HXUWFJFHSA-N 1 0 342.446 4.328 20 30 EIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2nc3ccccc3[nH]2)CC1 ZINC000733902093 1043645834 /nfs/dbraw/zinc/64/58/34/1043645834.db2.gz LINPUXOXURQFMU-RDTXWAMCSA-N 1 0 325.460 4.005 20 30 EIEDRO N#CCOc1ccc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000731211495 1043713717 /nfs/dbraw/zinc/71/37/17/1043713717.db2.gz LCGOHABCGKHWKS-UHFFFAOYSA-N 1 0 326.827 4.407 20 30 EIEDRO CC1CCC(OC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC000731214231 1043714019 /nfs/dbraw/zinc/71/40/19/1043714019.db2.gz HUJOJWJYWIIPDK-UHFFFAOYSA-N 1 0 342.483 4.149 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C)c(Cl)c(C)c2)CC1 ZINC000442500115 1043722317 /nfs/dbraw/zinc/72/23/17/1043722317.db2.gz YPEKDEKYVAEHBT-UHFFFAOYSA-N 1 0 335.879 4.119 20 30 EIEDRO Cc1ccc([C@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000114733719 1043741053 /nfs/dbraw/zinc/74/10/53/1043741053.db2.gz QPOKONFDQRYPCX-WMLDXEAASA-N 1 0 339.464 4.092 20 30 EIEDRO C[N@H+](CCOc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000521424993 1043751947 /nfs/dbraw/zinc/75/19/47/1043751947.db2.gz ASGOOTHTAJTXHJ-UHFFFAOYSA-N 1 0 334.341 4.088 20 30 EIEDRO COC[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191493270 1043820735 /nfs/dbraw/zinc/82/07/35/1043820735.db2.gz CWTQHOUVOYRSMK-FQEVSTJZSA-N 1 0 348.490 4.245 20 30 EIEDRO COC[C@@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000191493257 1043821404 /nfs/dbraw/zinc/82/14/04/1043821404.db2.gz CWTQHOUVOYRSMK-HXUWFJFHSA-N 1 0 348.490 4.245 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCC)C2CCCCC2)CC1 ZINC000521584669 1043838651 /nfs/dbraw/zinc/83/86/51/1043838651.db2.gz PSAAKEMZFFAEDO-IBGZPJMESA-N 1 0 335.536 4.075 20 30 EIEDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442792463 1043842128 /nfs/dbraw/zinc/84/21/28/1043842128.db2.gz QDBCFJDMKPRESS-GXTWGEPZSA-N 1 0 326.362 4.274 20 30 EIEDRO COc1ccc(C2(C[NH2+][C@H]3CC[C@@H](C#N)C3)CCCCC2)cc1OC ZINC000442797730 1043844388 /nfs/dbraw/zinc/84/43/88/1043844388.db2.gz XLHYYFMBKVYOEW-AEFFLSMTSA-N 1 0 342.483 4.188 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)C1 ZINC000442827949 1043851335 /nfs/dbraw/zinc/85/13/35/1043851335.db2.gz QKYNQNKRCVZSIF-SUMDDJOVSA-N 1 0 325.843 4.301 20 30 EIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442831436 1043859392 /nfs/dbraw/zinc/85/93/92/1043859392.db2.gz ADTLVQUMCFIPRK-FOIQADDNSA-N 1 0 336.435 4.159 20 30 EIEDRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC1CCC(C#N)CC1)CCC2 ZINC000442874217 1043873176 /nfs/dbraw/zinc/87/31/76/1043873176.db2.gz SOGBBTLHJBDWRJ-GPANFISMSA-N 1 0 344.455 4.062 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCC(C)(C)C2)cc1OCCCC#N ZINC000443011856 1043966000 /nfs/dbraw/zinc/96/60/00/1043966000.db2.gz HVRAJCVINAGFSV-KRWDZBQOSA-N 1 0 330.472 4.436 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCC(C)(C)C2)cc1OCCCC#N ZINC000443011859 1043968375 /nfs/dbraw/zinc/96/83/75/1043968375.db2.gz HVRAJCVINAGFSV-QGZVFWFLSA-N 1 0 330.472 4.436 20 30 EIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000443062070 1043980840 /nfs/dbraw/zinc/98/08/40/1043980840.db2.gz ADYVPPCYGRGLJS-SFHVURJKSA-N 1 0 344.842 4.040 20 30 EIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000733902658 1044034199 /nfs/dbraw/zinc/03/41/99/1044034199.db2.gz YDFHCOBCWOSNAN-KBXCAEBGSA-N 1 0 330.432 4.037 20 30 EIEDRO CC(C)(C)[NH+]1CCC(N=Nc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000732926355 1044037306 /nfs/dbraw/zinc/03/73/06/1044037306.db2.gz NJNIRWPLNRCJPX-UHFFFAOYSA-N 1 0 347.850 4.052 20 30 EIEDRO C=CCC(CC=C)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675154489 1044053223 /nfs/dbraw/zinc/05/32/23/1044053223.db2.gz XGKHDXQYIQUCAL-HXUWFJFHSA-N 1 0 326.484 4.098 20 30 EIEDRO N#Cc1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1Cl ZINC000521919204 1044062148 /nfs/dbraw/zinc/06/21/48/1044062148.db2.gz QDVPKHVKWAHXQG-LJQANCHMSA-N 1 0 325.843 4.461 20 30 EIEDRO CC#CCCCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000466260326 1044144258 /nfs/dbraw/zinc/14/42/58/1044144258.db2.gz OLWWBSDMQVDPNN-UHFFFAOYSA-N 1 0 326.484 4.093 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3cnccc3c2)c1 ZINC000785468087 1044152869 /nfs/dbraw/zinc/15/28/69/1044152869.db2.gz HIHHQZIMFSKTAY-HXUWFJFHSA-N 1 0 331.419 4.206 20 30 EIEDRO COc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000173801313 1044158520 /nfs/dbraw/zinc/15/85/20/1044158520.db2.gz OHRYFNQXODSZKZ-JTSKRJEESA-N 1 0 349.478 4.055 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000041069339 1044181549 /nfs/dbraw/zinc/18/15/49/1044181549.db2.gz VJEWLEDLJCWZED-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCSc2ccc(C)cc2)cc1 ZINC000733322594 1044185394 /nfs/dbraw/zinc/18/53/94/1044185394.db2.gz OGMPQTIBHDOANP-UHFFFAOYSA-N 1 0 325.477 4.279 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000733325310 1044189339 /nfs/dbraw/zinc/18/93/39/1044189339.db2.gz IMURVNIPTLYKPG-FQEVSTJZSA-N 1 0 339.410 4.231 20 30 EIEDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000174045203 1044215386 /nfs/dbraw/zinc/21/53/86/1044215386.db2.gz JEIYLSABKRUYLJ-CQSZACIVSA-N 1 0 325.481 4.177 20 30 EIEDRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174104091 1044221180 /nfs/dbraw/zinc/22/11/80/1044221180.db2.gz GTLPRCMKKQVHHK-ROUUACIJSA-N 1 0 333.479 4.434 20 30 EIEDRO C[C@@H]1CC(NCc2ccccc2C#N)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168016435 1044249285 /nfs/dbraw/zinc/24/92/85/1044249285.db2.gz VWVBUJHFCYZIFR-QZTJIDSGSA-N 1 0 333.479 4.089 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1Br ZINC000174428882 1044271776 /nfs/dbraw/zinc/27/17/76/1044271776.db2.gz URXXTELIRSQJQQ-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(N=Nc3cnc4ccccc4n3)CC2)C1 ZINC000733747071 1044300013 /nfs/dbraw/zinc/30/00/13/1044300013.db2.gz FLVHCLVEZRTKHJ-RDJZCZTQSA-N 1 0 337.471 4.072 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnc3ccccc3c2)c1 ZINC000733800557 1044315923 /nfs/dbraw/zinc/31/59/23/1044315923.db2.gz ZZTUXVXVEPPDIB-LJQANCHMSA-N 1 0 331.419 4.206 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCCc2cccc(F)c2)c1 ZINC000068987390 1044356430 /nfs/dbraw/zinc/35/64/30/1044356430.db2.gz PBHHTVYTIDUXQF-UHFFFAOYSA-N 1 0 326.415 4.231 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000466387868 1044371570 /nfs/dbraw/zinc/37/15/70/1044371570.db2.gz VUSJCQOFINWDEN-QGZVFWFLSA-N 1 0 337.389 4.395 20 30 EIEDRO C=CC[C@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000494821588 1044386170 /nfs/dbraw/zinc/38/61/70/1044386170.db2.gz LQGYKDRZNRFGKB-JYRKZWEQSA-N 1 0 340.511 4.210 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2csc(-c3ccc(F)cc3)n2)c1 ZINC000466424183 1044447995 /nfs/dbraw/zinc/44/79/95/1044447995.db2.gz GUGPCYJQRGOXGP-UHFFFAOYSA-N 1 0 337.423 4.153 20 30 EIEDRO C[C@@H]1CC(N=Nc2cnc3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000734295622 1044524508 /nfs/dbraw/zinc/52/45/08/1044524508.db2.gz FQRPQJRHOIYIJD-MRXNPFEDSA-N 1 0 345.450 4.082 20 30 EIEDRO C[C@H]1CC(N=Nc2ncccc2Cl)CC[N@@H+]1Cc1ccccc1 ZINC000734299325 1044524842 /nfs/dbraw/zinc/52/48/42/1044524842.db2.gz UUBZOFGZOHHWBM-AWEZNQCLSA-N 1 0 328.847 4.187 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCC(C(F)F)CC3)CC2)nc1 ZINC000282355239 1044596447 /nfs/dbraw/zinc/59/64/47/1044596447.db2.gz PMKKHRJOCFQSLZ-UHFFFAOYSA-N 1 0 349.425 4.057 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000495051226 1044618660 /nfs/dbraw/zinc/61/86/60/1044618660.db2.gz SBIADYZRTMTFPW-IFXJQAMLSA-N 1 0 333.834 4.343 20 30 EIEDRO C=CCC[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000495055119 1044625003 /nfs/dbraw/zinc/62/50/03/1044625003.db2.gz ZBZHVRMXSLPLAQ-TZIWHRDSSA-N 1 0 342.527 4.365 20 30 EIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000495081962 1044653317 /nfs/dbraw/zinc/65/33/17/1044653317.db2.gz HVIVKDFULCLZTC-OXQOHEQNSA-N 1 0 335.451 4.084 20 30 EIEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2ccc(C)cc2)c1C ZINC000914693203 1044661790 /nfs/dbraw/zinc/66/17/90/1044661790.db2.gz PBYKNKUVIHLYEM-NRFANRHFSA-N 1 0 338.499 4.344 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)cc(OC)c1OC ZINC000237261063 1044682038 /nfs/dbraw/zinc/68/20/38/1044682038.db2.gz SMWIPIGPOBYSCF-RDTXWAMCSA-N 1 0 341.451 4.439 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCc3c2cccc3O)ccc1OC ZINC000105486780 1044682217 /nfs/dbraw/zinc/68/22/17/1044682217.db2.gz OOTLHKAZAKDVMV-SFHVURJKSA-N 1 0 339.435 4.133 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)cc1 ZINC000734843286 1044698147 /nfs/dbraw/zinc/69/81/47/1044698147.db2.gz IRRLNSXIWRHXFB-UHFFFAOYSA-N 1 0 335.447 4.266 20 30 EIEDRO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000734840050 1044698367 /nfs/dbraw/zinc/69/83/67/1044698367.db2.gz VCSVJRXBDWNZEK-HXUWFJFHSA-N 1 0 338.476 4.188 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)c1 ZINC000092034453 1044722787 /nfs/dbraw/zinc/72/27/87/1044722787.db2.gz DQOZCASMIWOBNY-UHFFFAOYSA-N 1 0 331.419 4.083 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(C#N)cs1 ZINC000092101145 1044727898 /nfs/dbraw/zinc/72/78/98/1044727898.db2.gz DBUOKHCZPURAIN-UHFFFAOYSA-N 1 0 336.464 4.074 20 30 EIEDRO N#Cc1ccc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000474169045 1044750313 /nfs/dbraw/zinc/75/03/13/1044750313.db2.gz JVKVNHXTHNNTEN-QFIPXVFZSA-N 1 0 331.463 4.051 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccccc1 ZINC000428870165 1044786021 /nfs/dbraw/zinc/78/60/21/1044786021.db2.gz DRNQZFOYVDXHNS-QGZVFWFLSA-N 1 0 335.451 4.358 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000735305699 1044790422 /nfs/dbraw/zinc/79/04/22/1044790422.db2.gz CFFIGKJQRIBJGG-LJQANCHMSA-N 1 0 340.854 4.449 20 30 EIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(Br)cc1C#N ZINC001141814782 1044794758 /nfs/dbraw/zinc/79/47/58/1044794758.db2.gz OFCAPMHEEGNFRT-UHFFFAOYSA-N 1 0 347.231 4.134 20 30 EIEDRO CC(C)c1nc(C#N)c(N=NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)o1 ZINC000733901150 1044818490 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C#CCOc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(Cl)cc2)cc1 ZINC000736361140 1044931531 /nfs/dbraw/zinc/93/15/31/1044931531.db2.gz OJJAYOSHYFQVTL-QRWLVFNGSA-N 1 0 343.854 4.218 20 30 EIEDRO Cc1oc(NC(=O)C[N@@H+](C)[C@@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000155800451 1044956922 /nfs/dbraw/zinc/95/69/22/1044956922.db2.gz HTLIKRCBDWGWSY-LJQANCHMSA-N 1 0 339.439 4.036 20 30 EIEDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000736623440 1044957107 /nfs/dbraw/zinc/95/71/07/1044957107.db2.gz KIFBXKQEPKZVJZ-HNNXBMFYSA-N 1 0 328.843 4.305 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000736629529 1044959592 /nfs/dbraw/zinc/95/95/92/1044959592.db2.gz QFOISRFEVBVFFH-LJQANCHMSA-N 1 0 338.426 4.031 20 30 EIEDRO CC(C)C[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000542555426 1044964632 /nfs/dbraw/zinc/96/46/32/1044964632.db2.gz RWWOUTDGYIPZEH-PBHICJAKSA-N 1 0 341.480 4.324 20 30 EIEDRO C=CCC[C@H](C)[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000543623964 1044969061 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EIEDRO C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1cccc(C#N)c1 ZINC000074218610 1045136698 /nfs/dbraw/zinc/13/66/98/1045136698.db2.gz SHPHEABRQDHGII-OAHLLOKOSA-N 1 0 342.402 4.188 20 30 EIEDRO C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 ZINC000161735949 1045160634 /nfs/dbraw/zinc/16/06/34/1045160634.db2.gz CNEJZGGMOWIYNP-HRAATJIYSA-N 1 0 346.478 4.150 20 30 EIEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509432132 1045162153 /nfs/dbraw/zinc/16/21/53/1045162153.db2.gz XWZIUSVPRWGBBV-MRXNPFEDSA-N 1 0 346.268 4.143 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000739930822 1045175808 /nfs/dbraw/zinc/17/58/08/1045175808.db2.gz PALWWVLBPOSAPM-SFHVURJKSA-N 1 0 343.515 4.292 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)c1ccncc1 ZINC000766017335 1045183654 /nfs/dbraw/zinc/18/36/54/1045183654.db2.gz ABJQTJHIXMESHP-UWJYYQICSA-N 1 0 332.451 4.294 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000766018920 1045200765 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EIEDRO Cc1cccc2c1ncc(C#N)c2N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000611370406 1045290854 /nfs/dbraw/zinc/29/08/54/1045290854.db2.gz NENDGIVATWDXGI-LNLFQRSKSA-N 1 0 348.494 4.257 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000611376398 1045291238 /nfs/dbraw/zinc/29/12/38/1045291238.db2.gz YTCPXSMDAAGSIM-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1cccc(C#N)c1 ZINC000611386816 1045295971 /nfs/dbraw/zinc/29/59/71/1045295971.db2.gz AJKLBTPISWAPCK-LLVKDONJSA-N 1 0 348.233 4.154 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000611391683 1045296894 /nfs/dbraw/zinc/29/68/94/1045296894.db2.gz VCJKPHXBYNPYIK-SFHVURJKSA-N 1 0 330.435 4.034 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccnc1OC1CCCC1 ZINC000611390740 1045297998 /nfs/dbraw/zinc/29/79/98/1045297998.db2.gz RIWJNHXSATYXMU-NRFANRHFSA-N 1 0 347.462 4.442 20 30 EIEDRO CC(C)(C)OC(=O)CCCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392977 1045298778 /nfs/dbraw/zinc/29/87/78/1045298778.db2.gz AHHJQELOOMMVIX-LJQANCHMSA-N 1 0 342.483 4.427 20 30 EIEDRO CC(C)(CO)[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611394272 1045299579 /nfs/dbraw/zinc/29/95/79/1045299579.db2.gz ANAPJBDZDQTGCV-FGZHOGPDSA-N 1 0 348.490 4.328 20 30 EIEDRO COc1cccc(O[C@@H](C)C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611393124 1045299662 /nfs/dbraw/zinc/29/96/62/1045299662.db2.gz KDFIAWQGSKTSII-YCRPNKLZSA-N 1 0 336.435 4.001 20 30 EIEDRO COc1cccc(OCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611394816 1045300109 /nfs/dbraw/zinc/30/01/09/1045300109.db2.gz GXLOYHBIAAZZPJ-OAQYLSRUSA-N 1 0 336.435 4.003 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)ccn1 ZINC000611396986 1045300444 /nfs/dbraw/zinc/30/04/44/1045300444.db2.gz MOLXKPJUNOZKQX-OAQYLSRUSA-N 1 0 331.394 4.166 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000611402912 1045301839 /nfs/dbraw/zinc/30/18/39/1045301839.db2.gz CDAQCLWRYHOZLP-QGZVFWFLSA-N 1 0 333.357 4.459 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCC1 ZINC000611433619 1045305406 /nfs/dbraw/zinc/30/54/06/1045305406.db2.gz DDVWDVXULORVPV-MRXNPFEDSA-N 1 0 333.863 4.099 20 30 EIEDRO C[C@@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000611438272 1045308381 /nfs/dbraw/zinc/30/83/81/1045308381.db2.gz AUOFNUMVINUFSI-GCJKJVERSA-N 1 0 333.479 4.436 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000611438301 1045308627 /nfs/dbraw/zinc/30/86/27/1045308627.db2.gz JGQRFSNSWNOBKH-JOCHJYFZSA-N 1 0 348.494 4.049 20 30 EIEDRO CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611521935 1045320861 /nfs/dbraw/zinc/32/08/61/1045320861.db2.gz QZPRDZUXYSIDAV-LJQANCHMSA-N 1 0 335.451 4.298 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](OC)c2ccccc2)ccc1OC ZINC000237089108 1045374923 /nfs/dbraw/zinc/37/49/23/1045374923.db2.gz ZXLZHAHAKZZNGH-NRFANRHFSA-N 1 0 341.451 4.127 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1ccc(C#N)c(F)c1 ZINC000272559264 1045515750 /nfs/dbraw/zinc/51/57/50/1045515750.db2.gz DVLXVHFLQCPISZ-KZULUSFZSA-N 1 0 328.362 4.401 20 30 EIEDRO CC[C@](O)(CCC(F)(F)F)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000897518600 1045523862 /nfs/dbraw/zinc/52/38/62/1045523862.db2.gz JKYFLUSFZZQXRB-KRWDZBQOSA-N 1 0 342.405 4.061 20 30 EIEDRO C=CCN(C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)C(C)C ZINC000746970718 1045693885 /nfs/dbraw/zinc/69/38/85/1045693885.db2.gz UEYAMMRBOHBYMM-UHFFFAOYSA-N 1 0 343.515 4.169 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000768136692 1045723300 /nfs/dbraw/zinc/72/33/00/1045723300.db2.gz BIHBHTFVBRHWCK-GOSISDBHSA-N 1 0 334.463 4.432 20 30 EIEDRO C=C(C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000768207566 1045744371 /nfs/dbraw/zinc/74/43/71/1045744371.db2.gz MQFXELOWSYOYQX-QGZVFWFLSA-N 1 0 344.499 4.325 20 30 EIEDRO C#CC[C@@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000791489045 1045748903 /nfs/dbraw/zinc/74/89/03/1045748903.db2.gz BHTRODHAVOHFDT-DHIUTWEWSA-N 1 0 329.443 4.097 20 30 EIEDRO CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763231732 1045780188 /nfs/dbraw/zinc/78/01/88/1045780188.db2.gz PQDHYAQDAAPHRQ-LJQANCHMSA-N 1 0 328.843 4.156 20 30 EIEDRO C=CC[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C(C)C ZINC000768547948 1045823176 /nfs/dbraw/zinc/82/31/76/1045823176.db2.gz UOIUEYIMSZXJKN-UHFFFAOYSA-N 1 0 346.478 4.390 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)ccc1O ZINC000743870998 1045852885 /nfs/dbraw/zinc/85/28/85/1045852885.db2.gz LJCRALOABGUSEX-UHFFFAOYSA-N 1 0 345.240 4.048 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000768912801 1045858761 /nfs/dbraw/zinc/85/87/61/1045858761.db2.gz MVUSRYNMZAGOFT-JXFKEZNVSA-N 1 0 338.426 4.324 20 30 EIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCOc2cccc(C#N)c2)CC1 ZINC001170194773 1045933580 /nfs/dbraw/zinc/93/35/80/1045933580.db2.gz OICKQXJRFQEKIV-JOCHJYFZSA-N 1 0 334.463 4.381 20 30 EIEDRO CC[C@H]1C[C@@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CCO1 ZINC001170233547 1045940621 /nfs/dbraw/zinc/94/06/21/1045940621.db2.gz HAWQPPRHOJUATM-HOTGVXAUSA-N 1 0 348.874 4.012 20 30 EIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+]CCCOc1ccccc1C#N ZINC001170257075 1045957506 /nfs/dbraw/zinc/95/75/06/1045957506.db2.gz SFCWBPFIMDABFO-HNNXBMFYSA-N 1 0 328.843 4.201 20 30 EIEDRO C[C@@H](Cc1ccccc1Cl)[NH2+]CCCOc1cccc(C#N)c1 ZINC001170256292 1045957645 /nfs/dbraw/zinc/95/76/45/1045957645.db2.gz KDLYMWAGXUWADV-HNNXBMFYSA-N 1 0 328.843 4.201 20 30 EIEDRO C#CCOc1ccccc1CNC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000237411250 1045980870 /nfs/dbraw/zinc/98/08/70/1045980870.db2.gz ZCPFMUFPUQCXID-LJQANCHMSA-N 1 0 348.490 4.014 20 30 EIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H](C)Cc1ccccc1Cl)C2 ZINC001170285188 1045988874 /nfs/dbraw/zinc/98/88/74/1045988874.db2.gz RCNHXYDYWYUFTJ-QRFRQXIXSA-N 1 0 349.902 4.097 20 30 EIEDRO C#CCCOc1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000769499229 1045998428 /nfs/dbraw/zinc/99/84/28/1045998428.db2.gz PBNVFYNFASKQFK-QFIPXVFZSA-N 1 0 349.474 4.127 20 30 EIEDRO Cc1ccn2c(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cnc2c1 ZINC001170359996 1046014106 /nfs/dbraw/zinc/01/41/06/1046014106.db2.gz LRLGHLABUMIYKM-UHFFFAOYSA-N 1 0 344.462 4.137 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2ccc3cc(C[NH3+])cnc32)CC1 ZINC001170359195 1046014210 /nfs/dbraw/zinc/01/42/10/1046014210.db2.gz PUHIYCRLQFRRHT-UHFFFAOYSA-N 1 0 330.435 4.072 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(Cl)n2)CC1 ZINC001170362206 1046015424 /nfs/dbraw/zinc/01/54/24/1046015424.db2.gz POJXERNJDMMFDA-UHFFFAOYSA-N 1 0 325.843 4.229 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCCCCCCO)CC1 ZINC001170365284 1046018549 /nfs/dbraw/zinc/01/85/49/1046018549.db2.gz UJLKLPHYIDAZHV-UHFFFAOYSA-N 1 0 328.500 4.313 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC3(CCCOC3)CC2)CC1 ZINC001170394992 1046028892 /nfs/dbraw/zinc/02/88/92/1046028892.db2.gz FAGDVMFSYVQGHS-UHFFFAOYSA-N 1 0 338.495 4.283 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC001170379227 1046032907 /nfs/dbraw/zinc/03/29/07/1046032907.db2.gz UOYLZAHUYNHMJX-QHCGNWPDSA-N 1 0 336.479 4.224 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC1 ZINC001170379226 1046033917 /nfs/dbraw/zinc/03/39/17/1046033917.db2.gz UOYLZAHUYNHMJX-LNSLMDJYSA-N 1 0 336.479 4.224 20 30 EIEDRO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000496763283 1046049213 /nfs/dbraw/zinc/04/92/13/1046049213.db2.gz KHVGEEGPZGPBCE-LESCRADOSA-N 1 0 343.471 4.054 20 30 EIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(N2CCCC2=O)cc1 ZINC000769788762 1046075507 /nfs/dbraw/zinc/07/55/07/1046075507.db2.gz YBYSHXJEFUBYHA-INIZCTEOSA-N 1 0 327.472 4.184 20 30 EIEDRO C[C@H](c1ccccc1)[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078587697 1046087153 /nfs/dbraw/zinc/08/71/53/1046087153.db2.gz BVONCMNVDXTRGY-QGZVFWFLSA-N 1 0 345.446 4.431 20 30 EIEDRO Fc1cccc(Cl)c1N=NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000769830560 1046088087 /nfs/dbraw/zinc/08/80/87/1046088087.db2.gz RLDLQHGYNRYRCL-UHFFFAOYSA-N 1 0 337.748 4.295 20 30 EIEDRO C#C[C@H](C)[N@@H+](C)CCCC(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000769975988 1046120108 /nfs/dbraw/zinc/12/01/08/1046120108.db2.gz SXVLLSHRNFOMMV-AWEZNQCLSA-N 1 0 334.891 4.137 20 30 EIEDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000792989700 1046121992 /nfs/dbraw/zinc/12/19/92/1046121992.db2.gz JEWAKZZULUKLES-SJORKVTESA-N 1 0 326.465 4.334 20 30 EIEDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763405441 1046133622 /nfs/dbraw/zinc/13/36/22/1046133622.db2.gz BNBWRUOIENGBDY-GOSISDBHSA-N 1 0 348.368 4.133 20 30 EIEDRO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000763413395 1046147369 /nfs/dbraw/zinc/14/73/69/1046147369.db2.gz KVEPJIPOHBVNEN-RYGJVYDSSA-N 1 0 338.451 4.220 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763413473 1046147686 /nfs/dbraw/zinc/14/76/86/1046147686.db2.gz MPRJAJYSNMMANS-AUSJPIAWSA-N 1 0 342.870 4.369 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)nc1 ZINC000793152579 1046158902 /nfs/dbraw/zinc/15/89/02/1046158902.db2.gz IGYUULWWOYLHIK-UHFFFAOYSA-N 1 0 334.250 4.373 20 30 EIEDRO Cc1ccc(C(=O)C2CCN(Cc3ccc(C#N)s3)CC2)c(C)c1 ZINC000536645176 1046239125 /nfs/dbraw/zinc/23/91/25/1046239125.db2.gz KQRSODSBSQPBHD-UHFFFAOYSA-N 1 0 338.476 4.332 20 30 EIEDRO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+](CCC#N)Cc1ccccc1 ZINC001170433130 1046257445 /nfs/dbraw/zinc/25/74/45/1046257445.db2.gz XBKDAXMZKFHWMO-IBGZPJMESA-N 1 0 336.435 4.152 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000793556465 1046290278 /nfs/dbraw/zinc/29/02/78/1046290278.db2.gz GRHZJMVOJRIPHT-CQSZACIVSA-N 1 0 343.920 4.358 20 30 EIEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793615238 1046312288 /nfs/dbraw/zinc/31/22/88/1046312288.db2.gz NNSSSLWZGJVORN-CVEARBPZSA-N 1 0 326.267 4.267 20 30 EIEDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000271161412 1046369565 /nfs/dbraw/zinc/36/95/65/1046369565.db2.gz APOSRWJZPHTBKI-LJQANCHMSA-N 1 0 349.478 4.035 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000771468531 1046406213 /nfs/dbraw/zinc/40/62/13/1046406213.db2.gz VWROCIOUHXLADJ-LJQANCHMSA-N 1 0 334.548 4.462 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000497218271 1046420296 /nfs/dbraw/zinc/42/02/96/1046420296.db2.gz BMXRNXSXQAXLHC-UONOGXRCSA-N 1 0 349.450 4.041 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000428645566 1046434287 /nfs/dbraw/zinc/43/42/87/1046434287.db2.gz ZBSBRNKQQUKSRR-HXUWFJFHSA-N 1 0 349.434 4.016 20 30 EIEDRO C[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000916981430 1046540970 /nfs/dbraw/zinc/54/09/70/1046540970.db2.gz MDAYATLRBNBDAX-UHFFFAOYSA-N 1 0 346.377 4.061 20 30 EIEDRO C[N@H+](CCOc1cccc(C#N)c1)Cc1ccc(N2CCCCC2)cc1 ZINC000917019881 1046564314 /nfs/dbraw/zinc/56/43/14/1046564314.db2.gz KVMUOAISIJCYPZ-UHFFFAOYSA-N 1 0 349.478 4.059 20 30 EIEDRO CCc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000536649958 1046616848 /nfs/dbraw/zinc/61/68/48/1046616848.db2.gz FMEMDQRBSOMFMQ-UHFFFAOYSA-N 1 0 326.465 4.226 20 30 EIEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000917105755 1046716951 /nfs/dbraw/zinc/71/69/51/1046716951.db2.gz JKDIXDGVUHMSCJ-QGZVFWFLSA-N 1 0 338.451 4.419 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459516673 1046740978 /nfs/dbraw/zinc/74/09/78/1046740978.db2.gz CHFBWIHAXSDKOW-QGZVFWFLSA-N 1 0 343.515 4.392 20 30 EIEDRO N#CCSCCC[N@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459592192 1046802661 /nfs/dbraw/zinc/80/26/61/1046802661.db2.gz MTPUSNNADQKWBP-MRXNPFEDSA-N 1 0 348.903 4.390 20 30 EIEDRO C#C[C@](C)(CC)[NH2+]C1C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170467961 1046814205 /nfs/dbraw/zinc/81/42/05/1046814205.db2.gz FZBQQAWNEOPHRG-ABSDTBQOSA-N 1 0 336.520 4.335 20 30 EIEDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000536843794 1046816191 /nfs/dbraw/zinc/81/61/91/1046816191.db2.gz FHMSJBDEFXRBOQ-NTYOPAKOSA-N 1 0 340.511 4.431 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(F)cn1 ZINC000536869502 1046833350 /nfs/dbraw/zinc/83/33/50/1046833350.db2.gz MDOPUVPNWLMKPO-NNGSBXSVSA-N 1 0 339.414 4.133 20 30 EIEDRO COc1ccccc1C[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000536874871 1046837604 /nfs/dbraw/zinc/83/76/04/1046837604.db2.gz DEDOMZYLTSIRJF-HNNXBMFYSA-N 1 0 347.380 4.286 20 30 EIEDRO COc1ccc(C)cc1[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000459652219 1046838084 /nfs/dbraw/zinc/83/80/84/1046838084.db2.gz SIMKFEXWMZWBTC-KRWDZBQOSA-N 1 0 349.478 4.195 20 30 EIEDRO CC(C)(CC#N)C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000459684450 1046852207 /nfs/dbraw/zinc/85/22/07/1046852207.db2.gz CMFVMYPKHDKCAC-UHFFFAOYSA-N 1 0 339.252 4.364 20 30 EIEDRO CC[N@H+](CCOCCOc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497600134 1046884057 /nfs/dbraw/zinc/88/40/57/1046884057.db2.gz SSIVBTNMGYMQOC-SFHVURJKSA-N 1 0 338.451 4.037 20 30 EIEDRO CC(C)CCC[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001170070926 1046935060 /nfs/dbraw/zinc/93/50/60/1046935060.db2.gz FYLFZMQWMFNLEM-SFHVURJKSA-N 1 0 327.516 4.327 20 30 EIEDRO Clc1ccccc1C[NH+]1CCC(N=Nc2ncccc2Cl)CC1 ZINC000917547056 1046956008 /nfs/dbraw/zinc/95/60/08/1046956008.db2.gz ZAUXOBDHXNWBKH-UHFFFAOYSA-N 1 0 349.265 4.452 20 30 EIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000787306431 1046990506 /nfs/dbraw/zinc/99/05/06/1046990506.db2.gz NEZWNRALTQNFAS-RDJZCZTQSA-N 1 0 338.904 4.396 20 30 EIEDRO C[NH+](C)[C@H](C/N=C\c1c(O)ccc2ccccc21)c1ccc(F)cc1 ZINC000917557242 1046995592 /nfs/dbraw/zinc/99/55/92/1046995592.db2.gz CDQBYPMRADIAKM-XBPUZACXSA-N 1 0 336.410 4.406 20 30 EIEDRO C#CCCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787418620 1047002797 /nfs/dbraw/zinc/00/27/97/1047002797.db2.gz YQTNVKGTXZNYOX-MRXNPFEDSA-N 1 0 325.374 4.252 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000787416231 1047004292 /nfs/dbraw/zinc/00/42/92/1047004292.db2.gz AGFBLBZXWAMKJU-INIZCTEOSA-N 1 0 339.405 4.199 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1c(F)cccc1Cl ZINC000537175321 1047007643 /nfs/dbraw/zinc/00/76/43/1047007643.db2.gz CSBBMXXLZKBRMQ-LBPRGKRZSA-N 1 0 345.805 4.030 20 30 EIEDRO COc1ccc([C@H](Cc2ccncc2)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000796692372 1047024141 /nfs/dbraw/zinc/02/41/41/1047024141.db2.gz BWIDPHMOJRFWBH-QFIPXVFZSA-N 1 0 343.430 4.035 20 30 EIEDRO CC[C@@H]1CC([N@@H+]2CCC[C@@H](C#N)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170491015 1047038368 /nfs/dbraw/zinc/03/83/68/1047038368.db2.gz HYVLUNLKDIZQMM-GVDBMIGSSA-N 1 0 349.519 4.179 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)C ZINC000537290841 1047073872 /nfs/dbraw/zinc/07/38/72/1047073872.db2.gz MBGGZUCAXAXBNO-RHSMWYFYSA-N 1 0 347.528 4.291 20 30 EIEDRO CC[C@@H]1CC([N@@H+]2CC[C@](C)(C#N)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170495486 1047085890 /nfs/dbraw/zinc/08/58/90/1047085890.db2.gz AACFTRANGHSPJW-JXXFODFXSA-N 1 0 349.519 4.179 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3C[C@@H]3C3CCCCC3)CC2)cc1 ZINC000537303526 1047086087 /nfs/dbraw/zinc/08/60/87/1047086087.db2.gz JQERNHLNDPPADT-FGZHOGPDSA-N 1 0 337.511 4.081 20 30 EIEDRO C=CCCC[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000537307555 1047093175 /nfs/dbraw/zinc/09/31/75/1047093175.db2.gz ACGIHKPBBCCBEC-UONOGXRCSA-N 1 0 338.879 4.400 20 30 EIEDRO C#CCC1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCCC1 ZINC000788172945 1047128791 /nfs/dbraw/zinc/12/87/91/1047128791.db2.gz LMHJQMZOKSONJV-UHFFFAOYSA-N 1 0 344.543 4.121 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(OC)c3ccccc23)cc1C#N ZINC000746734384 1047131181 /nfs/dbraw/zinc/13/11/81/1047131181.db2.gz RZTIQICRGRRQRJ-UHFFFAOYSA-N 1 0 332.403 4.018 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)cc1C#N ZINC000746739833 1047149694 /nfs/dbraw/zinc/14/96/94/1047149694.db2.gz AKXHATJUXRAAKR-UHFFFAOYSA-N 1 0 337.810 4.058 20 30 EIEDRO C=CCCCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806168398 1047155506 /nfs/dbraw/zinc/15/55/06/1047155506.db2.gz KTWRFKGHYZADFV-UHFFFAOYSA-N 1 0 331.460 4.290 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000806175813 1047162477 /nfs/dbraw/zinc/16/24/77/1047162477.db2.gz FUKZSQXWVURNAQ-MGPUTAFESA-N 1 0 343.854 4.126 20 30 EIEDRO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccccc1SC(C)(C)C ZINC000788436609 1047184688 /nfs/dbraw/zinc/18/46/88/1047184688.db2.gz BIUVNXQIPZIKJK-IYBDPMFKSA-N 1 0 344.528 4.161 20 30 EIEDRO CCc1ccc([C@H](C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000537400955 1047194709 /nfs/dbraw/zinc/19/47/09/1047194709.db2.gz MRIKBNRFBJAQIO-VFNWGFHPSA-N 1 0 339.458 4.213 20 30 EIEDRO CC(C)[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCO1 ZINC000537405546 1047199001 /nfs/dbraw/zinc/19/90/01/1047199001.db2.gz OGCSQQFCPQBTFT-GTECDBCCSA-N 1 0 342.483 4.041 20 30 EIEDRO C[C@@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537407927 1047199671 /nfs/dbraw/zinc/19/96/71/1047199671.db2.gz YAVNEACBHJSDLU-CVEARBPZSA-N 1 0 339.458 4.477 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1SC(C)(C)C ZINC000788595420 1047243273 /nfs/dbraw/zinc/24/32/73/1047243273.db2.gz TUNCQKGJYHXEHQ-OAHLLOKOSA-N 1 0 331.529 4.216 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000788618498 1047250835 /nfs/dbraw/zinc/25/08/35/1047250835.db2.gz ARTPHFBPBAKWKC-GKCIPKSASA-N 1 0 326.415 4.106 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000788652973 1047254100 /nfs/dbraw/zinc/25/41/00/1047254100.db2.gz UNPFCRQGXDDTCC-MRXNPFEDSA-N 1 0 343.883 4.117 20 30 EIEDRO C=CCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)C(C)C ZINC000918057812 1047307346 /nfs/dbraw/zinc/30/73/46/1047307346.db2.gz ZDOAZFORVVQLAX-QGZVFWFLSA-N 1 0 349.544 4.127 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(C#N)c(F)c2)nc1 ZINC001170091129 1047327014 /nfs/dbraw/zinc/32/70/14/1047327014.db2.gz WTIPTHAPLNEUIM-HNNXBMFYSA-N 1 0 338.430 4.079 20 30 EIEDRO COc1c2ccccc2oc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000788970434 1047337547 /nfs/dbraw/zinc/33/75/47/1047337547.db2.gz SLJVGVJBOJLORQ-AWEZNQCLSA-N 1 0 336.391 4.022 20 30 EIEDRO CC1(C)C[C@@H]([N@H+](Cc2ccc(C#N)o2)Cc2ccccc2)C(C)(C)O1 ZINC000537467944 1047399723 /nfs/dbraw/zinc/39/97/23/1047399723.db2.gz SWZDHELFFYESPI-LJQANCHMSA-N 1 0 338.451 4.500 20 30 EIEDRO CCOc1cccc(/C=N/C[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1O ZINC000746817486 1047428514 /nfs/dbraw/zinc/42/85/14/1047428514.db2.gz ZUEBDTBCLPECJE-KKJJZKEWSA-N 1 0 346.858 4.166 20 30 EIEDRO C=CCc1cc(OC)cc(C[NH+]2CCC(CC(F)(F)F)CC2)c1O ZINC000789526332 1047437198 /nfs/dbraw/zinc/43/71/98/1047437198.db2.gz CHMWMFOWIQAGHJ-UHFFFAOYSA-N 1 0 343.389 4.294 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2ccc(F)c(F)c2)C1 ZINC000898107224 1047547658 /nfs/dbraw/zinc/54/76/58/1047547658.db2.gz DMCRDPZJBWBVSK-XUWXXGDYSA-N 1 0 331.410 4.122 20 30 EIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2nccnc2C2CCC2)CC1 ZINC000807992325 1047566460 /nfs/dbraw/zinc/56/64/60/1047566460.db2.gz FQHJXNNTDMINLA-MAUKXSAKSA-N 1 0 341.503 4.187 20 30 EIEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000918739303 1047632434 /nfs/dbraw/zinc/63/24/34/1047632434.db2.gz JUEHRFSLHHNQFL-QGZVFWFLSA-N 1 0 333.435 4.282 20 30 EIEDRO C[NH+](C)C1CCC(NC2=C(c3ccccc3)C(=O)c3ccccc32)CC1 ZINC001168298392 1047674738 /nfs/dbraw/zinc/67/47/38/1047674738.db2.gz QVNSGSDSDWXMQA-UHFFFAOYSA-N 1 0 346.474 4.214 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000556483434 1047784896 /nfs/dbraw/zinc/78/48/96/1047784896.db2.gz WGHGKSSTEQMHSH-XLIONFOSSA-N 1 0 342.446 4.333 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccncc2)cc1 ZINC000194916822 1047842589 /nfs/dbraw/zinc/84/25/89/1047842589.db2.gz CTQDXQDFECIAEB-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000824433310 1047867154 /nfs/dbraw/zinc/86/71/54/1047867154.db2.gz JMNUPBAWABSPMX-FVWXCPNNSA-N 1 0 341.455 4.156 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCc3c(F)cccc32)cc1 ZINC000824469152 1047878040 /nfs/dbraw/zinc/87/80/40/1047878040.db2.gz ZGVHKLWUMYXXHK-OAQYLSRUSA-N 1 0 337.442 4.343 20 30 EIEDRO N#CC1(c2ccc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)cc2)CC1 ZINC000824547760 1047889905 /nfs/dbraw/zinc/88/99/05/1047889905.db2.gz BCPXGHHTICSJIK-JOCHJYFZSA-N 1 0 346.474 4.187 20 30 EIEDRO Cc1c(C[NH2+]C2(c3cccc(C#N)c3)CC2)sc2nc(C)nc(C)c12 ZINC000747924217 1047900753 /nfs/dbraw/zinc/90/07/53/1047900753.db2.gz QHBNTKHMLVFVCK-UHFFFAOYSA-N 1 0 348.475 4.267 20 30 EIEDRO CC(C)(C)Oc1ccc(NC2CC[NH+](CC3CC3)CC2)cc1C#N ZINC000824721280 1047907578 /nfs/dbraw/zinc/90/75/78/1047907578.db2.gz BXDCZDXKXOUPJM-UHFFFAOYSA-N 1 0 327.472 4.022 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)cc1 ZINC000824716168 1047909034 /nfs/dbraw/zinc/90/90/34/1047909034.db2.gz SRCMMLZMPDJHSA-GUTXKFCHSA-N 1 0 326.362 4.140 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1 ZINC000808449461 1047915860 /nfs/dbraw/zinc/91/58/60/1047915860.db2.gz BZYSHSUFDWROEY-FCHUYYIVSA-N 1 0 328.415 4.123 20 30 EIEDRO CCCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001131298513 1047939426 /nfs/dbraw/zinc/93/94/26/1047939426.db2.gz JJZXOXJLHUOFNF-FQEVSTJZSA-N 1 0 330.516 4.436 20 30 EIEDRO Cc1ccc2c(C[N@@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)c[nH]c2c1 ZINC001136974766 1048007065 /nfs/dbraw/zinc/00/70/65/1048007065.db2.gz MIXGACXEMLXLBO-LJQANCHMSA-N 1 0 345.446 4.391 20 30 EIEDRO Cc1ccc2c(C[NH+]3CCC(Oc4ccccc4C#N)CC3)c[nH]c2c1 ZINC001136974855 1048007951 /nfs/dbraw/zinc/00/79/51/1048007951.db2.gz POVCFYARUJWQLW-UHFFFAOYSA-N 1 0 345.446 4.391 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000825085644 1048033515 /nfs/dbraw/zinc/03/35/15/1048033515.db2.gz LQFLFTFXYGGORX-IEBWSBKVSA-N 1 0 341.476 4.160 20 30 EIEDRO N#Cc1ccc(CC2CC[NH+](Cc3cncc(Cl)c3)CC2)cc1 ZINC001136995348 1048043980 /nfs/dbraw/zinc/04/39/80/1048043980.db2.gz FACZVAJJYRNTNG-UHFFFAOYSA-N 1 0 325.843 4.061 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@](C)(Cc2ccccc2)C2CC2)cc1 ZINC000825321879 1048069428 /nfs/dbraw/zinc/06/94/28/1048069428.db2.gz PXQMOAVODXDBMN-HTAPYJJXSA-N 1 0 334.463 4.478 20 30 EIEDRO C=CCCC[C@@H](C(=O)NCCC1CC[NH+](CC)CC1)c1ccccc1 ZINC001137024687 1048077611 /nfs/dbraw/zinc/07/76/11/1048077611.db2.gz JSWHIDPIJINXID-OAQYLSRUSA-N 1 0 342.527 4.365 20 30 EIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(N2CCCOC2=O)cc1 ZINC000814659860 1048106242 /nfs/dbraw/zinc/10/62/42/1048106242.db2.gz BJSVFELHJOYVLR-MRXNPFEDSA-N 1 0 343.471 4.404 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1 ZINC000814660665 1048106342 /nfs/dbraw/zinc/10/63/42/1048106342.db2.gz YFIAIYHLHSHWNO-ROUUACIJSA-N 1 0 330.378 4.023 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(C)c1OC ZINC000556892226 1048135814 /nfs/dbraw/zinc/13/58/14/1048135814.db2.gz JAXFRETUSBZYMM-KGLIPLIRSA-N 1 0 342.414 4.435 20 30 EIEDRO CC(C)(C#N)CCN1CC[N@H+](CCC(C)(C)C#N)C2(CCCCC2)C1 ZINC000131910653 1048167300 /nfs/dbraw/zinc/16/73/00/1048167300.db2.gz WLPMHNSLHNGFOW-UHFFFAOYSA-N 1 0 344.547 4.187 20 30 EIEDRO N#Cc1ccccc1OCCC[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171104705 1048195744 /nfs/dbraw/zinc/19/57/44/1048195744.db2.gz JFBDBYIUZLAEFJ-IBGZPJMESA-N 1 0 340.854 4.128 20 30 EIEDRO CC(N=Nc1ccc(Br)cc1Cl)C1CC[NH+](C)CC1 ZINC000814885101 1048218880 /nfs/dbraw/zinc/21/88/80/1048218880.db2.gz MQANGIKDCVLODT-UHFFFAOYSA-N 1 0 344.684 4.232 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)cc1Cl ZINC000132270632 1048244007 /nfs/dbraw/zinc/24/40/07/1048244007.db2.gz YBMCNASCEZVQSK-UHFFFAOYSA-N 1 0 344.842 4.321 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000919935372 1048316937 /nfs/dbraw/zinc/31/69/37/1048316937.db2.gz DUXWBJKLCAQGMW-OAHLLOKOSA-N 1 0 343.389 4.294 20 30 EIEDRO CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000556960562 1048322681 /nfs/dbraw/zinc/32/26/81/1048322681.db2.gz VPQMPDXSRYZNNF-PMACEKPBSA-N 1 0 348.494 4.474 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844439943 1048341628 /nfs/dbraw/zinc/34/16/28/1048341628.db2.gz ZCHKHFBSKSJYJP-HNNXBMFYSA-N 1 0 345.311 4.058 20 30 EIEDRO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001144069464 1048398142 /nfs/dbraw/zinc/39/81/42/1048398142.db2.gz ZGDQCYZIJHPAMS-FQEVSTJZSA-N 1 0 340.511 4.244 20 30 EIEDRO CC(C)[N@@H+](Cc1cncc(C#N)c1)C[C@@H](O)c1ccc2ccccc2c1 ZINC001144083222 1048413545 /nfs/dbraw/zinc/41/35/45/1048413545.db2.gz CGKWDVIWMICKGW-JOCHJYFZSA-N 1 0 345.446 4.050 20 30 EIEDRO N#Cc1cncc(C[N@H+](CCc2ccccc2)Cc2ccccc2)c1 ZINC001144083497 1048414253 /nfs/dbraw/zinc/41/42/53/1048414253.db2.gz HTBUQZDLACUZRE-UHFFFAOYSA-N 1 0 327.431 4.198 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)cc1 ZINC000809617419 1048422614 /nfs/dbraw/zinc/42/26/14/1048422614.db2.gz QGCBLCPQHZMATR-SFHVURJKSA-N 1 0 326.237 4.208 20 30 EIEDRO C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)c1cccc(C#N)c1 ZINC000809622546 1048438968 /nfs/dbraw/zinc/43/89/68/1048438968.db2.gz JSDRHSZSULYBFG-HNNXBMFYSA-N 1 0 345.487 4.244 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000809625178 1048441795 /nfs/dbraw/zinc/44/17/95/1048441795.db2.gz YTKPVYHEWQQXOF-KZULUSFZSA-N 1 0 334.246 4.186 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001135010326 1048445945 /nfs/dbraw/zinc/44/59/45/1048445945.db2.gz YTESYRAJWLOEOD-AABGKKOBSA-N 1 0 340.511 4.006 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)nc1 ZINC001144166520 1048479956 /nfs/dbraw/zinc/47/99/56/1048479956.db2.gz JELPAIDIOQKYLA-KRWDZBQOSA-N 1 0 331.341 4.309 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000844747740 1048486373 /nfs/dbraw/zinc/48/63/73/1048486373.db2.gz MHLWRTUBDNURPF-SFHVURJKSA-N 1 0 337.410 4.141 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000809754598 1048516518 /nfs/dbraw/zinc/51/65/18/1048516518.db2.gz CRISZOSTKXCHJD-QGZVFWFLSA-N 1 0 335.234 4.078 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1)c1ccncc1 ZINC000815580438 1048521099 /nfs/dbraw/zinc/52/10/99/1048521099.db2.gz KFSQYOJYQXPALL-QRQLOZEOSA-N 1 0 330.472 4.191 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1)c1ccccc1 ZINC000815598958 1048532840 /nfs/dbraw/zinc/53/28/40/1048532840.db2.gz HFPSXPSFWFTOGS-SXLOBPIMSA-N 1 0 327.468 4.243 20 30 EIEDRO CCCN(CC[NH+]1CCCCCC1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809788522 1048533688 /nfs/dbraw/zinc/53/36/88/1048533688.db2.gz SMOPYWVUSIJFGT-LJQANCHMSA-N 1 0 343.515 4.065 20 30 EIEDRO C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]Cc1nc(C#N)cs1 ZINC000810131342 1048640518 /nfs/dbraw/zinc/64/05/18/1048640518.db2.gz KJYNLKBFTXMJOJ-OAHLLOKOSA-N 1 0 333.460 4.403 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)c(Br)c1 ZINC001171176551 1048645547 /nfs/dbraw/zinc/64/55/47/1048645547.db2.gz SQEZVRAFJNWKEP-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(Br)cc1F ZINC001171176136 1048650721 /nfs/dbraw/zinc/65/07/21/1048650721.db2.gz PUQPMUNNZAERJS-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C#CCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000920416153 1048668278 /nfs/dbraw/zinc/66/82/78/1048668278.db2.gz SGAXLACGLQXMFX-OAQYLSRUSA-N 1 0 338.882 4.070 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC001171189632 1048685107 /nfs/dbraw/zinc/68/51/07/1048685107.db2.gz HZJYJSSKXMPJPS-QGZVFWFLSA-N 1 0 327.431 4.341 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1-c1cccnc1 ZINC001171189655 1048685609 /nfs/dbraw/zinc/68/56/09/1048685609.db2.gz INQYYBXUWFCXTR-KRWDZBQOSA-N 1 0 327.431 4.341 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CO)c1ccc(Cl)cc1Cl ZINC001171190335 1048693689 /nfs/dbraw/zinc/69/36/89/1048693689.db2.gz SDKHEODUTMQDHE-XIKOKIGWSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC001171193148 1048695168 /nfs/dbraw/zinc/69/51/68/1048695168.db2.gz TZIRLCWYBGYIBT-QGZVFWFLSA-N 1 0 327.431 4.341 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cncc3ccccc32)cc(OC)c1OC ZINC000772928406 1048697437 /nfs/dbraw/zinc/69/74/37/1048697437.db2.gz ODDLVWLKUXXWMF-UHFFFAOYSA-N 1 0 348.446 4.270 20 30 EIEDRO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171195798 1048702151 /nfs/dbraw/zinc/70/21/51/1048702151.db2.gz UOXWLSSDVHHBKV-LPHOPBHVSA-N 1 0 344.499 4.225 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810239258 1048721346 /nfs/dbraw/zinc/72/13/46/1048721346.db2.gz YGNNTIZKYWLFTD-NUTKFTJISA-N 1 0 343.389 4.433 20 30 EIEDRO COCCC1([NH2+][C@@H](C)Cc2cccc(C#N)c2)CCC(F)(F)CC1 ZINC001171199281 1048729438 /nfs/dbraw/zinc/72/94/38/1048729438.db2.gz XZCYYIASPOPWBJ-HNNXBMFYSA-N 1 0 336.426 4.063 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1cc(CC[NH3+])c2ccc(Cl)cc21 ZINC001171199409 1048729636 /nfs/dbraw/zinc/72/96/36/1048729636.db2.gz ZNMVLIHFIRUXFC-CQSZACIVSA-N 1 0 337.854 4.471 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(N(C(=O)CC)c3ccccc3)CC2)cc1 ZINC001144567028 1048733887 /nfs/dbraw/zinc/73/38/87/1048733887.db2.gz AHHFDVOOYZWHMT-UHFFFAOYSA-N 1 0 346.474 4.076 20 30 EIEDRO C=C[C@@H](CC)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001144585394 1048737099 /nfs/dbraw/zinc/73/70/99/1048737099.db2.gz MUKIOZQMNDSKTF-INIZCTEOSA-N 1 0 348.918 4.271 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001135487002 1048746622 /nfs/dbraw/zinc/74/66/22/1048746622.db2.gz NLOYXTNFBXRIGT-OAHLLOKOSA-N 1 0 340.920 4.037 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC001171201784 1048757190 /nfs/dbraw/zinc/75/71/90/1048757190.db2.gz QZAYMEREJDLGSI-CQSZACIVSA-N 1 0 335.382 4.073 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1cc(Br)cs1 ZINC001171201422 1048758785 /nfs/dbraw/zinc/75/87/85/1048758785.db2.gz LVYCOXQYTBOZQQ-LBPRGKRZSA-N 1 0 349.297 4.146 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC001171202353 1048761277 /nfs/dbraw/zinc/76/12/77/1048761277.db2.gz BUNZCOKZHDBZBO-KRWDZBQOSA-N 1 0 332.447 4.084 20 30 EIEDRO CCc1cccc(C[NH2+]Cc2ccc(OC)c(O[C@H](C#N)CC)c2)c1 ZINC000845941001 1048769521 /nfs/dbraw/zinc/76/95/21/1048769521.db2.gz SHTNFCGZQSPANR-IBGZPJMESA-N 1 0 338.451 4.228 20 30 EIEDRO Cc1ccccc1OC1CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171204030 1048775815 /nfs/dbraw/zinc/77/58/15/1048775815.db2.gz RIFOIIFKQQGPTI-SFHVURJKSA-N 1 0 334.463 4.341 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2ccccc2c1O ZINC000816490683 1048814271 /nfs/dbraw/zinc/81/42/71/1048814271.db2.gz BJUSOMJGNAGNNY-UHFFFAOYSA-N 1 0 346.430 4.066 20 30 EIEDRO COc1cccc([C@@H](C/N=C\c2c(O)ccc3ccccc32)[NH+](C)C)c1 ZINC000920945383 1048819030 /nfs/dbraw/zinc/81/90/30/1048819030.db2.gz XDMVHKGNPAGKKF-VLDJDNEVSA-N 1 0 348.446 4.276 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)ccc1OC ZINC000846106473 1048822069 /nfs/dbraw/zinc/82/20/69/1048822069.db2.gz BQDKYLIEPLRORW-SFHVURJKSA-N 1 0 337.410 4.271 20 30 EIEDRO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230245 1048872198 /nfs/dbraw/zinc/87/21/98/1048872198.db2.gz CACMRGGSZLPOTF-UWJYYQICSA-N 1 0 334.463 4.473 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(C)nc2C)cc(OC)c1OC ZINC000772948275 1048885660 /nfs/dbraw/zinc/88/56/60/1048885660.db2.gz VTPCLBIZQFVXDM-OAHLLOKOSA-N 1 0 340.467 4.295 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847027843 1048982658 /nfs/dbraw/zinc/98/26/58/1048982658.db2.gz DFVILRHDTQRTKI-QZTJIDSGSA-N 1 0 332.447 4.026 20 30 EIEDRO C#C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847030363 1048983532 /nfs/dbraw/zinc/98/35/32/1048983532.db2.gz MLKPIBXIWOTFSA-SFHVURJKSA-N 1 0 332.447 4.027 20 30 EIEDRO CCN1CCC([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000077249684 1048996067 /nfs/dbraw/zinc/99/60/67/1048996067.db2.gz SMWGFQUHEXXXLQ-UHFFFAOYSA-N 1 0 333.479 4.141 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2OC)cc1C#N ZINC000817581112 1049011946 /nfs/dbraw/zinc/01/19/46/1049011946.db2.gz NIDWZPNRYLJJKC-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO N#CC1(Nc2cc(F)cc3[nH]ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC001171277205 1049021562 /nfs/dbraw/zinc/02/15/62/1049021562.db2.gz NEXAEJCJODLKND-UHFFFAOYSA-N 1 0 348.425 4.277 20 30 EIEDRO Cc1ccc(N(C)C)c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171276750 1049022293 /nfs/dbraw/zinc/02/22/93/1049022293.db2.gz DKMAMXUWFRRVDQ-UHFFFAOYSA-N 1 0 348.494 4.031 20 30 EIEDRO CCc1ccc(F)c(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171278132 1049030986 /nfs/dbraw/zinc/03/09/86/1049030986.db2.gz VCPPVRULNIDUFR-UHFFFAOYSA-N 1 0 337.442 4.358 20 30 EIEDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)CC2 ZINC001171300241 1049103020 /nfs/dbraw/zinc/10/30/20/1049103020.db2.gz WAFHEOILYZLTDJ-AWEZNQCLSA-N 1 0 344.817 4.006 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3ccc(OC)cc32)c1 ZINC000772981773 1049164729 /nfs/dbraw/zinc/16/47/29/1049164729.db2.gz AYJGNIDTHFEWLA-DYESRHJHSA-N 1 0 336.435 4.153 20 30 EIEDRO N#Cc1ccccc1OCCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170909404 1049174650 /nfs/dbraw/zinc/17/46/50/1049174650.db2.gz UQYOBENEQWPBCX-QGZVFWFLSA-N 1 0 340.854 4.128 20 30 EIEDRO [NH2+]=C(N[C@H]1CCc2cccc(Cl)c2C1)c1ccc2ccccc2n1 ZINC001170909726 1049174989 /nfs/dbraw/zinc/17/49/89/1049174989.db2.gz XOQLLUKTUCIZNE-HNNXBMFYSA-N 1 0 335.838 4.151 20 30 EIEDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000818994807 1049228650 /nfs/dbraw/zinc/22/86/50/1049228650.db2.gz KASFVHLTABKUPG-SGTLLEGYSA-N 1 0 349.261 4.119 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2sc(C)nc2C)c1 ZINC000772985349 1049242299 /nfs/dbraw/zinc/24/22/99/1049242299.db2.gz QZASETMGZQPGSQ-BLLLJJGKSA-N 1 0 329.469 4.292 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CC[C@H]2CCCO2)Cc2cccc(F)c2)cc1 ZINC000195600419 1049260321 /nfs/dbraw/zinc/26/03/21/1049260321.db2.gz KHZOWLYQSFFTKN-OAQYLSRUSA-N 1 0 338.426 4.269 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc(Cl)nc2)c1 ZINC000772986047 1049269407 /nfs/dbraw/zinc/26/94/07/1049269407.db2.gz ZDWYDMQTNFOHLK-CJNGLKHVSA-N 1 0 329.831 4.267 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000819281070 1049298018 /nfs/dbraw/zinc/29/80/18/1049298018.db2.gz FKXITSGHYJSQKD-CGTJXYLNSA-N 1 0 347.245 4.044 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000819368188 1049309086 /nfs/dbraw/zinc/30/90/86/1049309086.db2.gz OCGRFZFGOGTZGF-DFQSSKMNSA-N 1 0 340.854 4.171 20 30 EIEDRO C=CCCCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000811926952 1049321878 /nfs/dbraw/zinc/32/18/78/1049321878.db2.gz FYOLNUBXESNHEJ-QUCCMNQESA-N 1 0 347.547 4.171 20 30 EIEDRO COc1ccc(C[NH2+]CCC2=CCCCC2)cc1OCCCC#N ZINC000064613227 1049371095 /nfs/dbraw/zinc/37/10/95/1049371095.db2.gz JDBCDBYMVGRHIO-UHFFFAOYSA-N 1 0 328.456 4.358 20 30 EIEDRO N#Cc1cccc(NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC000609893346 1049384664 /nfs/dbraw/zinc/38/46/64/1049384664.db2.gz HCIXEKADUXLYDD-GOSISDBHSA-N 1 0 340.858 4.073 20 30 EIEDRO COc1cccc(O)c1/C=N\CC1([NH+]2CCCCC2)CCCCC1 ZINC000812394502 1049456792 /nfs/dbraw/zinc/45/67/92/1049456792.db2.gz SBINDZQTPYYFLH-QNGOZBTKSA-N 1 0 330.472 4.009 20 30 EIEDRO C#CCSCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000773009606 1049523419 /nfs/dbraw/zinc/52/34/19/1049523419.db2.gz CYUCOKTYAANZAH-OAHLLOKOSA-N 1 0 328.506 4.144 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2COc3c2cccc3Cl)cc1 ZINC000773039992 1049548244 /nfs/dbraw/zinc/54/82/44/1049548244.db2.gz HRCMPRFRALXOMT-SCLBCKFNSA-N 1 0 327.811 4.136 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)CC1 ZINC000080121081 1049557762 /nfs/dbraw/zinc/55/77/62/1049557762.db2.gz DTBAMXJLGIXFMA-IBGZPJMESA-N 1 0 343.515 4.032 20 30 EIEDRO C=C(C)CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136949713 1049558653 /nfs/dbraw/zinc/55/86/53/1049558653.db2.gz HAJOMTDNHIUETB-UHFFFAOYSA-N 1 0 326.406 4.178 20 30 EIEDRO CC(C)c1nccnc1N=NC1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000773077751 1049566252 /nfs/dbraw/zinc/56/62/52/1049566252.db2.gz IVALVFXVRMKCGZ-INIZCTEOSA-N 1 0 337.471 4.052 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)Sc3sccc32)cc1C#N ZINC000773083810 1049570143 /nfs/dbraw/zinc/57/01/43/1049570143.db2.gz OHNVKLSWTHLINL-NHYWBVRUSA-N 1 0 330.478 4.344 20 30 EIEDRO CC#CCCCC(=O)NCC1([N@H+](C)Cc2ccccc2)CCCCC1 ZINC001133432852 1049579352 /nfs/dbraw/zinc/57/93/52/1049579352.db2.gz XJHVCINKSNVUHF-UHFFFAOYSA-N 1 0 340.511 4.131 20 30 EIEDRO C=CC1(CC(=O)NCc2cccc(C[N@@H+](C)CC)c2)CCCCC1 ZINC001136398808 1049581711 /nfs/dbraw/zinc/58/17/11/1049581711.db2.gz WZHZZKCCVZQWER-UHFFFAOYSA-N 1 0 328.500 4.281 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000773107486 1049586973 /nfs/dbraw/zinc/58/69/73/1049586973.db2.gz PQYAVZKDXAUVSX-GCJKJVERSA-N 1 0 329.447 4.347 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)c1sc(CCOC)nc1C)c1ccccc1 ZINC000773116161 1049588496 /nfs/dbraw/zinc/58/84/96/1049588496.db2.gz QAFKXJGPAYVGPF-PBHICJAKSA-N 1 0 328.481 4.056 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000773118113 1049590820 /nfs/dbraw/zinc/59/08/20/1049590820.db2.gz YNIGBLQJMJMVBI-RXVVDRJESA-N 1 0 334.463 4.375 20 30 EIEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812795112 1049595135 /nfs/dbraw/zinc/59/51/35/1049595135.db2.gz LVXKGLMJHAYERY-KBXCAEBGSA-N 1 0 326.371 4.019 20 30 EIEDRO COC(=O)c1cc2cc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)ccc2o1 ZINC001171400312 1049622084 /nfs/dbraw/zinc/62/20/84/1049622084.db2.gz VXIYIXOLJIMJLX-CQSZACIVSA-N 1 0 348.402 4.284 20 30 EIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccnc(C#N)c1 ZINC000615462598 1049696083 /nfs/dbraw/zinc/69/60/83/1049696083.db2.gz HVDHVSLMNZKUIG-UHFFFAOYSA-N 1 0 333.357 4.083 20 30 EIEDRO Cc1ccc(OCCCC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237695356 1049713341 /nfs/dbraw/zinc/71/33/41/1049713341.db2.gz KYHCWFPUVKBZIK-SFHVURJKSA-N 1 0 338.451 4.235 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)cc1 ZINC000237698400 1049714497 /nfs/dbraw/zinc/71/44/97/1049714497.db2.gz VHBVTQBFQTYNJG-AWEZNQCLSA-N 1 0 348.368 4.329 20 30 EIEDRO N#Cc1ccc(OCCNc2cc[nH+]c(C3(C(F)(F)F)CC3)c2)cc1 ZINC001171484462 1049716516 /nfs/dbraw/zinc/71/65/16/1049716516.db2.gz QEFDQKHDIUWYJY-UHFFFAOYSA-N 1 0 347.340 4.038 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H]2CCc3cc(F)c(F)cc3C2)ccc1Cl ZINC001171471965 1049727730 /nfs/dbraw/zinc/72/77/30/1049727730.db2.gz KUQNKTPIKPWSAR-OAHLLOKOSA-N 1 0 332.781 4.137 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(Cc3ccccc3Cl)C2)cc1 ZINC000813331549 1049753528 /nfs/dbraw/zinc/75/35/28/1049753528.db2.gz LCWWDTZAZHLUMO-HNNXBMFYSA-N 1 0 340.854 4.305 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCCC#N)C[C@@H]1C(C)(C)C ZINC001171581867 1049761842 /nfs/dbraw/zinc/76/18/42/1049761842.db2.gz JXBQXTMGNVYDQD-JKSUJKDBSA-N 1 0 337.508 4.084 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@H](C#N)C2)C[C@H]1C(C)(C)C ZINC001171613680 1049765311 /nfs/dbraw/zinc/76/53/11/1049765311.db2.gz OPDGJSZPDILMDL-IKGGRYGDSA-N 1 0 349.519 4.036 20 30 EIEDRO C=CCCC[C@@H](C(=O)NC1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC001136623512 1049790569 /nfs/dbraw/zinc/79/05/69/1049790569.db2.gz PBJDSWKAMIAJPH-OAQYLSRUSA-N 1 0 342.527 4.363 20 30 EIEDRO C#CCCCC[NH2+][C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171819045 1049801692 /nfs/dbraw/zinc/80/16/92/1049801692.db2.gz MKIHWSRKMFDZQR-BCDXTJNWSA-N 1 0 336.520 4.336 20 30 EIEDRO Cc1cc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)ccc1C#N ZINC000813783317 1049815251 /nfs/dbraw/zinc/81/52/51/1049815251.db2.gz PBXARLBTSQCZRY-PKTZIBPZSA-N 1 0 342.442 4.431 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC001171920642 1049820382 /nfs/dbraw/zinc/82/03/82/1049820382.db2.gz KKHFVTLCMYICHE-NVXWUHKLSA-N 1 0 341.455 4.278 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC001171921789 1049827416 /nfs/dbraw/zinc/82/74/16/1049827416.db2.gz XHXOHBLUKVQDLS-PWSUYJOCSA-N 1 0 335.801 4.317 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000813884833 1049831332 /nfs/dbraw/zinc/83/13/32/1049831332.db2.gz LSTRWOKNYOONBX-AUSJPIAWSA-N 1 0 341.476 4.113 20 30 EIEDRO CCCCN(CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984607 1049839809 /nfs/dbraw/zinc/83/98/09/1049839809.db2.gz NSNFJZYRNRDDBX-HXUWFJFHSA-N 1 0 327.516 4.445 20 30 EIEDRO CC1(C)CC(=O)C=C(N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171983737 1049840341 /nfs/dbraw/zinc/84/03/41/1049840341.db2.gz PYNWZEYDVMDKDV-SFHVURJKSA-N 1 0 340.511 4.292 20 30 EIEDRO C#C[C@@](C)(CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172048266 1049842828 /nfs/dbraw/zinc/84/28/28/1049842828.db2.gz GNQRBQWTGSEALJ-PXNSSMCTSA-N 1 0 348.531 4.480 20 30 EIEDRO CC(C)C[C@@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066687 1049850940 /nfs/dbraw/zinc/85/09/40/1049850940.db2.gz CNENVHDBYOIORT-KJJMTIBFSA-N 1 0 339.527 4.490 20 30 EIEDRO CC(C)C[C@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066698 1049851343 /nfs/dbraw/zinc/85/13/43/1049851343.db2.gz CNENVHDBYOIORT-YUMYIRISSA-N 1 0 339.527 4.490 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000823617260 1049863346 /nfs/dbraw/zinc/86/33/46/1049863346.db2.gz HXBXGPFPPSKUBV-SGTLLEGYSA-N 1 0 332.806 4.077 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CSc3ccccc3C2)c(C(F)(F)F)c1 ZINC001172203400 1049863799 /nfs/dbraw/zinc/86/37/99/1049863799.db2.gz WSVODFXHKCQBAO-OAHLLOKOSA-N 1 0 348.393 4.384 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000823702223 1049870130 /nfs/dbraw/zinc/87/01/30/1049870130.db2.gz MWVJTZXHRFVLDD-MRXNPFEDSA-N 1 0 334.479 4.011 20 30 EIEDRO COc1cccc(C(F)(F)F)c1C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302771 1049873211 /nfs/dbraw/zinc/87/32/11/1049873211.db2.gz QLTCOZJOQHOSLZ-ZDUSSCGKSA-N 1 0 348.368 4.306 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC001172301841 1049873235 /nfs/dbraw/zinc/87/32/35/1049873235.db2.gz YBDPCSUBBWTTIJ-SJKOYZFVSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(Br)ccc1F ZINC001172301835 1049873381 /nfs/dbraw/zinc/87/33/81/1049873381.db2.gz XZFSGXUESFOROR-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1cccnc1Cl)C1CC1 ZINC001172303910 1049873807 /nfs/dbraw/zinc/87/38/07/1049873807.db2.gz FVLUFMMBSKTBHG-ACJLOTCBSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CC2(CC(OCc3ccccc3)C2)C1 ZINC001172309632 1049874512 /nfs/dbraw/zinc/87/45/12/1049874512.db2.gz AUEZCBPSFQWXNC-GOSISDBHSA-N 1 0 346.474 4.170 20 30 EIEDRO Cc1ccc(OC2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172308699 1049874560 /nfs/dbraw/zinc/87/45/60/1049874560.db2.gz ZGDNQAOTWPFMIZ-SFHVURJKSA-N 1 0 334.463 4.341 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001172308426 1049874725 /nfs/dbraw/zinc/87/47/25/1049874725.db2.gz XVCUAQAKHWGVBW-LJQANCHMSA-N 1 0 347.506 4.086 20 30 EIEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172310589 1049874812 /nfs/dbraw/zinc/87/48/12/1049874812.db2.gz GITNBRMFVPZTKT-XMSQKQJNSA-N 1 0 348.490 4.453 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001172309397 1049874826 /nfs/dbraw/zinc/87/48/26/1049874826.db2.gz TYJMGMNEMZIWGQ-AWEZNQCLSA-N 1 0 347.384 4.078 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC001172307664 1049874854 /nfs/dbraw/zinc/87/48/54/1049874854.db2.gz QDWILILINGIHOB-GOSISDBHSA-N 1 0 334.463 4.170 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001172316795 1049876423 /nfs/dbraw/zinc/87/64/23/1049876423.db2.gz XRFFDHIAYDFPAM-IBGZPJMESA-N 1 0 347.506 4.086 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001172320605 1049877445 /nfs/dbraw/zinc/87/74/45/1049877445.db2.gz WRVPEYMVIBQPGT-QRWLVFNGSA-N 1 0 340.467 4.418 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001172290987 1049881018 /nfs/dbraw/zinc/88/10/18/1049881018.db2.gz UUSWKWUBWACVID-CYBMUJFWSA-N 1 0 334.341 4.178 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1c2ccc(F)cc2c2c1C[C@@H]([NH3+])CC2 ZINC001172297175 1049882690 /nfs/dbraw/zinc/88/26/90/1049882690.db2.gz BTBRYAWNSOEQDS-KDOFPFPSSA-N 1 0 347.437 4.272 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001172297340 1049882879 /nfs/dbraw/zinc/88/28/79/1049882879.db2.gz OMHRLBLDVMEDBC-CRAIPNDOSA-N 1 0 329.447 4.133 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000823949842 1049886344 /nfs/dbraw/zinc/88/63/44/1049886344.db2.gz WNQSOGGRAOHTJE-VOZSAZBYSA-N 1 0 341.282 4.477 20 30 EIEDRO CCCCCCC[C@H](CC)n1cc(C[C@H]([NH3+])C(N)=O)c2ccccc21 ZINC001172347542 1049891160 /nfs/dbraw/zinc/89/11/60/1049891160.db2.gz WVLHPLORRZNEBA-HKUYNNGSSA-N 1 0 343.515 4.308 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]CC1(c2cnccn2)CCOCC1 ZINC001172349477 1049891436 /nfs/dbraw/zinc/89/14/36/1049891436.db2.gz CPZCACSIZBZFCM-SFHVURJKSA-N 1 0 333.520 4.254 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+][C@H](C(=O)OCC)C1CCOCC1 ZINC001172349824 1049891530 /nfs/dbraw/zinc/89/15/30/1049891530.db2.gz GTFJLHBPWYUYOA-MSOLQXFVSA-N 1 0 327.509 4.073 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)N2CCCC2)CC1 ZINC001172347809 1049891552 /nfs/dbraw/zinc/89/15/52/1049891552.db2.gz ZJBURPVCSOFCQF-SFHVURJKSA-N 1 0 337.552 4.395 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH+]1CCN(CCc2ccccn2)CC1 ZINC001172353673 1049893027 /nfs/dbraw/zinc/89/30/27/1049893027.db2.gz AKYPHIOVUIFGPQ-OAQYLSRUSA-N 1 0 331.548 4.381 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+](CCOC)C1CCN(C(C)=O)CC1 ZINC001172353759 1049893342 /nfs/dbraw/zinc/89/33/42/1049893342.db2.gz BHMLHANXRUGZAV-IBGZPJMESA-N 1 0 340.552 4.085 20 30 EIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(NC(=O)C(F)(F)F)CC1 ZINC001172355077 1049893448 /nfs/dbraw/zinc/89/34/48/1049893448.db2.gz MOVYZZTVSRCXEI-HNNXBMFYSA-N 1 0 336.442 4.268 20 30 EIEDRO C=C[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000823997512 1049893819 /nfs/dbraw/zinc/89/38/19/1049893819.db2.gz ZFMKDIZRMFDVEW-SZMVWBNQSA-N 1 0 330.472 4.291 20 30 EIEDRO C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1[C@H](CCC)CCCCCC ZINC001172387557 1049904788 /nfs/dbraw/zinc/90/47/88/1049904788.db2.gz LSFHLAXTFKZKES-IEBWSBKVSA-N 1 0 348.535 4.056 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001172478008 1049909864 /nfs/dbraw/zinc/90/98/64/1049909864.db2.gz AUAKFBTXEKCILM-SFHVURJKSA-N 1 0 333.479 4.132 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)CCCC#N)c1ccc(I)cc1 ZINC001172480592 1049910079 /nfs/dbraw/zinc/91/00/79/1049910079.db2.gz VUIAMBCRWYWUCV-NWDGAFQWSA-N 1 0 342.224 4.024 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC001172489662 1049920497 /nfs/dbraw/zinc/92/04/97/1049920497.db2.gz XXKGJUVRLJRVET-CQSZACIVSA-N 1 0 337.870 4.115 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172495500 1049921403 /nfs/dbraw/zinc/92/14/03/1049921403.db2.gz FILPZMAGUIVZSM-PXNSSMCTSA-N 1 0 349.519 4.182 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001172492373 1049922051 /nfs/dbraw/zinc/92/20/51/1049922051.db2.gz KNADNVDAAHXRBS-QGZVFWFLSA-N 1 0 349.519 4.182 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC001172498900 1049922591 /nfs/dbraw/zinc/92/25/91/1049922591.db2.gz SQEJRGLQOGDTJX-NQIIRXRSSA-N 1 0 325.500 4.198 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001172498332 1049922677 /nfs/dbraw/zinc/92/26/77/1049922677.db2.gz LQOQOOVYVPIFSB-CYBMUJFWSA-N 1 0 326.271 4.198 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCc2cc(NC(=O)OC(C)(C)C)ccc2C1 ZINC001172498850 1049923221 /nfs/dbraw/zinc/92/32/21/1049923221.db2.gz RTFLCSWCIZYHSG-HNNXBMFYSA-N 1 0 343.471 4.474 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+]Cc1ccc(S(C)(=O)=O)cn1 ZINC001172500623 1049923268 /nfs/dbraw/zinc/92/32/68/1049923268.db2.gz BGPCLQIQPILVKH-INIZCTEOSA-N 1 0 340.533 4.104 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+]Cc1cc(OCCOC)ncn1 ZINC001172503177 1049923325 /nfs/dbraw/zinc/92/33/25/1049923325.db2.gz PGBPCJPXWHGUJX-KRWDZBQOSA-N 1 0 337.508 4.121 20 30 EIEDRO CCCCCCC[C@H](CCC)[N@@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001172510463 1049925185 /nfs/dbraw/zinc/92/51/85/1049925185.db2.gz CJRWBDAXBBSQCL-CADBVGFASA-N 1 0 339.520 4.168 20 30 EIEDRO CC(C)[N@H+]([C@H](C)CCCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172508993 1049925236 /nfs/dbraw/zinc/92/52/36/1049925236.db2.gz IWKLYOBLTBLUDP-IAGOWNOFSA-N 1 0 337.508 4.179 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+]Cc1ccc(S(C)(=O)=O)cn1 ZINC001172506364 1049925598 /nfs/dbraw/zinc/92/55/98/1049925598.db2.gz SCHDHOGNSOGWKK-MRXNPFEDSA-N 1 0 340.533 4.104 20 30 EIEDRO CCCCCCC[C@H](CCC)[N@@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001172510465 1049925786 /nfs/dbraw/zinc/92/57/86/1049925786.db2.gz CJRWBDAXBBSQCL-OKYOBFRVSA-N 1 0 339.520 4.168 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)cc1 ZINC000180718414 1049932965 /nfs/dbraw/zinc/93/29/65/1049932965.db2.gz CUJRAYJVWGUTNF-LIRRHRJNSA-N 1 0 325.383 4.012 20 30 EIEDRO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)c1 ZINC001204091770 1049949010 /nfs/dbraw/zinc/94/90/10/1049949010.db2.gz SDXCLSPXDXDBGQ-FQEVSTJZSA-N 1 0 343.430 4.150 20 30 EIEDRO C=CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2C)C1 ZINC001172582372 1049952463 /nfs/dbraw/zinc/95/24/63/1049952463.db2.gz ZNJOMSRXGUSBBF-FUHWJXTLSA-N 1 0 348.462 4.350 20 30 EIEDRO CCCC[C@@H]1C[C@@H]([NH+]2CCC(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001172635818 1049954054 /nfs/dbraw/zinc/95/40/54/1049954054.db2.gz QJFKQFXOHVQEIN-ZWKOTPCHSA-N 1 0 349.519 4.180 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C2)C1 ZINC001172651928 1049956424 /nfs/dbraw/zinc/95/64/24/1049956424.db2.gz UMAOLQGTNHLSAH-CEXWTWQISA-N 1 0 348.531 4.290 20 30 EIEDRO CCCC[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001172621989 1049959728 /nfs/dbraw/zinc/95/97/28/1049959728.db2.gz KKUOZDMTAFXPLF-DLBZAZTESA-N 1 0 349.519 4.228 20 30 EIEDRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000248368089 1050051832 /nfs/dbraw/zinc/05/18/32/1050051832.db2.gz UUKCEJVYXSELCT-HZPDHXFCSA-N 1 0 347.528 4.387 20 30 EIEDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000248832316 1050079639 /nfs/dbraw/zinc/07/96/39/1050079639.db2.gz MKJUXYCNENPQBS-HATOLVCRSA-N 1 0 348.490 4.120 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc(-c2cccnc2)cc1 ZINC000181321939 1050096905 /nfs/dbraw/zinc/09/69/05/1050096905.db2.gz XIUGVLXDGCROKF-QGZVFWFLSA-N 1 0 343.430 4.350 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC000774925497 1050154302 /nfs/dbraw/zinc/15/43/02/1050154302.db2.gz KNPPUYDQLKILAS-CQSZACIVSA-N 1 0 346.377 4.279 20 30 EIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c1 ZINC001177156905 1050158145 /nfs/dbraw/zinc/15/81/45/1050158145.db2.gz DLFNPEUOMOCAAP-UHFFFAOYSA-N 1 0 337.341 4.440 20 30 EIEDRO C=CC[C@H](C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)c1ccccc1 ZINC001177211720 1050162579 /nfs/dbraw/zinc/16/25/79/1050162579.db2.gz LWNLGAVVZANTDH-FQEVSTJZSA-N 1 0 340.511 4.213 20 30 EIEDRO Cc1ccc2c(c1)C[C@H](NC(=[NH2+])c1ccc3cc(O)ccc3c1)CC2 ZINC001172827565 1050166653 /nfs/dbraw/zinc/16/66/53/1050166653.db2.gz CJVPCZUXFBYQDL-HXUWFJFHSA-N 1 0 330.431 4.117 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNCc1nc(C(C)(C)C)cs1)C(C)C ZINC001177222696 1050168660 /nfs/dbraw/zinc/16/86/60/1050168660.db2.gz MJZSOBZTDBPPFJ-INIZCTEOSA-N 1 0 335.561 4.229 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(COC2CCOCC2)cc1)C1CC1 ZINC000090723421 1050201617 /nfs/dbraw/zinc/20/16/17/1050201617.db2.gz RCCQYKUYQHIYDM-NRFANRHFSA-N 1 0 329.484 4.217 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3c(C#N)cnn3C(C)(C)C)cc2)CC1 ZINC001212687766 1050206631 /nfs/dbraw/zinc/20/66/31/1050206631.db2.gz KTJVSENBNDZXRG-UHFFFAOYSA-N 1 0 337.471 4.063 20 30 EIEDRO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909186 1050207145 /nfs/dbraw/zinc/20/71/45/1050207145.db2.gz PZZAQWVDFGBWIH-FQEVSTJZSA-N 1 0 349.434 4.258 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000774966210 1050211863 /nfs/dbraw/zinc/21/18/63/1050211863.db2.gz XQHOCBRIAZQGQI-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(c3ccc(OCC)cc3)CCOCC2)C1 ZINC001177459787 1050214703 /nfs/dbraw/zinc/21/47/03/1050214703.db2.gz YZQXSOWETWXWAT-ICSRJNTNSA-N 1 0 343.511 4.468 20 30 EIEDRO C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177483218 1050222227 /nfs/dbraw/zinc/22/22/27/1050222227.db2.gz JIAJDNRKKSWLCO-KRWDZBQOSA-N 1 0 327.516 4.088 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCn2cnc3ccccc32)cc1Cl ZINC001177510907 1050233386 /nfs/dbraw/zinc/23/33/86/1050233386.db2.gz PDDLLVPXBKTOPX-UHFFFAOYSA-N 1 0 341.842 4.044 20 30 EIEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181599584 1050235511 /nfs/dbraw/zinc/23/55/11/1050235511.db2.gz GMTVLSOIRPDGHH-KRWDZBQOSA-N 1 0 344.462 4.336 20 30 EIEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181599641 1050237789 /nfs/dbraw/zinc/23/77/89/1050237789.db2.gz WHINOTSOYRSYCE-QGZVFWFLSA-N 1 0 344.462 4.336 20 30 EIEDRO C=C(CC(C)C)C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001177615885 1050266550 /nfs/dbraw/zinc/26/65/50/1050266550.db2.gz IBCHUGNJZMQQGC-UHFFFAOYSA-N 1 0 328.378 4.308 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)c1ccccc1F)c1ccc(OCC#N)cc1 ZINC000181643302 1050279854 /nfs/dbraw/zinc/27/98/54/1050279854.db2.gz FMRSBYHVPWFRNC-HNNXBMFYSA-N 1 0 326.415 4.356 20 30 EIEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC001177657860 1050280802 /nfs/dbraw/zinc/28/08/02/1050280802.db2.gz QQYIATIQKXDVGB-RXVVDRJESA-N 1 0 325.500 4.476 20 30 EIEDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000181734699 1050318429 /nfs/dbraw/zinc/31/84/29/1050318429.db2.gz GYRBIDCGGGTEIN-ZWKOTPCHSA-N 1 0 343.515 4.140 20 30 EIEDRO Cc1ccccc1CN1CCC[N@H+](CCCCC(C)(C)C#N)CC1 ZINC000618273408 1050326051 /nfs/dbraw/zinc/32/60/51/1050326051.db2.gz ZCKVTMCUILMBQA-UHFFFAOYSA-N 1 0 327.516 4.223 20 30 EIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H](C)Cc1ccc(CC)cc1)C2 ZINC001173249156 1050375699 /nfs/dbraw/zinc/37/56/99/1050375699.db2.gz YCZSBVGJDWUGOD-COPCDDAFSA-N 1 0 343.511 4.006 20 30 EIEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1[C@@H](CCCC)CC(C)C ZINC001173254941 1050379428 /nfs/dbraw/zinc/37/94/28/1050379428.db2.gz JGJONSOWSQEOLT-HKUYNNGSSA-N 1 0 333.520 4.127 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2c(Cl)cccc2N2CCCC2)CC1 ZINC000092390584 1050399510 /nfs/dbraw/zinc/39/95/10/1050399510.db2.gz BKMOYIOGWJMVIG-UHFFFAOYSA-N 1 0 347.934 4.070 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001173311112 1050403846 /nfs/dbraw/zinc/40/38/46/1050403846.db2.gz DSOVKHZDRPVEGV-UHFFFAOYSA-N 1 0 331.353 4.448 20 30 EIEDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1cccc(C#N)c1)O[C@@H](C)C2 ZINC000181995726 1050412475 /nfs/dbraw/zinc/41/24/75/1050412475.db2.gz XWLTZWOJZWAGDO-LSDHHAIUSA-N 1 0 336.435 4.131 20 30 EIEDRO CCCCCCCCC[C@H](CCC)[NH2+]CC1(C(N)=O)CCOCC1 ZINC001173285622 1050413411 /nfs/dbraw/zinc/41/34/11/1050413411.db2.gz YTTLUAXOEIGHRK-SFHVURJKSA-N 1 0 340.552 4.168 20 30 EIEDRO CCCCCCCCC[C@H](CCC)[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001173284982 1050413621 /nfs/dbraw/zinc/41/36/21/1050413621.db2.gz MVEKNOMDHIKVLD-SFHVURJKSA-N 1 0 337.552 4.443 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](Cc3cccc(OC)c3)C2)CC1 ZINC001173322638 1050414245 /nfs/dbraw/zinc/41/42/45/1050414245.db2.gz HMCKGVXMPLEWCE-QNGMFEMESA-N 1 0 343.511 4.464 20 30 EIEDRO C=CCOC1CCC([N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC1 ZINC001173321707 1050414687 /nfs/dbraw/zinc/41/46/87/1050414687.db2.gz SCIVKFYSJWDYQX-ODMWJAAVSA-N 1 0 333.516 4.027 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC001173321363 1050415784 /nfs/dbraw/zinc/41/57/84/1050415784.db2.gz JKUPLVKCTPTYFM-UHFFFAOYSA-N 1 0 345.458 4.234 20 30 EIEDRO CC[C@H]([NH2+][C@@H](Cn1cccn1)c1ccccc1)c1ccc(C#N)cc1 ZINC000618569072 1050418397 /nfs/dbraw/zinc/41/83/97/1050418397.db2.gz CZNKROVZTAXGFQ-SFTDATJTSA-N 1 0 330.435 4.237 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC001173323816 1050418638 /nfs/dbraw/zinc/41/86/38/1050418638.db2.gz AZMRSQDXUHHTEL-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001173330317 1050420056 /nfs/dbraw/zinc/42/00/56/1050420056.db2.gz OVYLZMFMSYECLK-RGKRWLCDSA-N 1 0 330.447 4.355 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC3(CC2)OCc2ccccc23)CC1 ZINC001173327954 1050420678 /nfs/dbraw/zinc/42/06/78/1050420678.db2.gz WIYDAXXYZFOIOM-UHFFFAOYSA-N 1 0 327.468 4.022 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001173329423 1050420709 /nfs/dbraw/zinc/42/07/09/1050420709.db2.gz ICHBVPZEVXHLGB-UHFFFAOYSA-N 1 0 330.325 4.286 20 30 EIEDRO COc1ccc(CC2(C[NH2+]C3CCC(CC#N)CC3)CCC2)cc1 ZINC001173334263 1050424577 /nfs/dbraw/zinc/42/45/77/1050424577.db2.gz VCOSXLDOCBIDHU-UHFFFAOYSA-N 1 0 326.484 4.470 20 30 EIEDRO N#CCC1CCC([N@H+]2CCc3cccc(Br)c3C2)CC1 ZINC001173335896 1050425808 /nfs/dbraw/zinc/42/58/08/1050425808.db2.gz GMZLUXUJUVIWFN-UHFFFAOYSA-N 1 0 333.273 4.280 20 30 EIEDRO COc1ccccc1S[C@@H]1CC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173336648 1050425865 /nfs/dbraw/zinc/42/58/65/1050425865.db2.gz HQOVJBDDHFSPAB-OFLPRAFFSA-N 1 0 330.497 4.334 20 30 EIEDRO C[N@H+](C1CCC(CC#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001173338805 1050428636 /nfs/dbraw/zinc/42/86/36/1050428636.db2.gz AHEZSMUYZBNRBG-MNLRITNHSA-N 1 0 325.500 4.055 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173341517 1050431076 /nfs/dbraw/zinc/43/10/76/1050431076.db2.gz YLGQVDDIPWFMET-LBXVMSDZSA-N 1 0 349.519 4.086 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC001173316812 1050438934 /nfs/dbraw/zinc/43/89/34/1050438934.db2.gz DHVACTYVYBTOOM-UHFFFAOYSA-N 1 0 338.289 4.361 20 30 EIEDRO C=CCOC1CCC([NH2+]C2(Cc3ccccc3F)CCOCC2)CC1 ZINC001173317707 1050441181 /nfs/dbraw/zinc/44/11/81/1050441181.db2.gz OECTUESCUQMBHC-UHFFFAOYSA-N 1 0 347.474 4.021 20 30 EIEDRO C=CCOC1CCC([NH2+]C2(Cc3ccccc3OC)CCC2)CC1 ZINC001173319091 1050441407 /nfs/dbraw/zinc/44/14/07/1050441407.db2.gz XQHFSWYMDSRYJN-UHFFFAOYSA-N 1 0 329.484 4.264 20 30 EIEDRO C[NH+](C)CCCn1cc(Nc2ccc(-c3ccc(C#N)cc3)cc2)cn1 ZINC001186968040 1050454031 /nfs/dbraw/zinc/45/40/31/1050454031.db2.gz FXIZIPCDMQELKV-UHFFFAOYSA-N 1 0 345.450 4.117 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000092897230 1050485689 /nfs/dbraw/zinc/48/56/89/1050485689.db2.gz CINPZFBRXSKVKB-MRXNPFEDSA-N 1 0 348.918 4.065 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173587213 1050492622 /nfs/dbraw/zinc/49/26/22/1050492622.db2.gz SERUWGICHTWJJY-VXESANQCSA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586820 1050493465 /nfs/dbraw/zinc/49/34/65/1050493465.db2.gz ICCXPSNEHIFEFK-RPTYLJJZSA-N 1 0 349.519 4.084 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC001173589359 1050494421 /nfs/dbraw/zinc/49/44/21/1050494421.db2.gz VPEIFCSADKAAOX-UHFFFAOYSA-N 1 0 342.668 4.060 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588362 1050494758 /nfs/dbraw/zinc/49/47/58/1050494758.db2.gz BVRAPOCFLVPIBE-OHTSDLOESA-N 1 0 349.519 4.228 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC2(Cc3cccc(F)c3)CCOCC2)CC1 ZINC001173591123 1050495542 /nfs/dbraw/zinc/49/55/42/1050495542.db2.gz JNQPKPVUTJNHGO-UHFFFAOYSA-N 1 0 344.474 4.227 20 30 EIEDRO C=CCCCC[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C ZINC001178545796 1050497992 /nfs/dbraw/zinc/49/79/92/1050497992.db2.gz BJHTWRDZLCQPLW-UHFFFAOYSA-N 1 0 348.288 4.389 20 30 EIEDRO CC[N@H+](C1CCC(C)(C#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001173598242 1050498892 /nfs/dbraw/zinc/49/88/92/1050498892.db2.gz OGAPDVKEGMCMJS-GNZRSQJKSA-N 1 0 349.519 4.180 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC(COc3ccc(F)cc3)CC2)CC1 ZINC001173597934 1050499176 /nfs/dbraw/zinc/49/91/76/1050499176.db2.gz JTDMXBMPPKTLKP-UHFFFAOYSA-N 1 0 330.447 4.389 20 30 EIEDRO C[NH+](C)CCCn1cc(Nc2ccccc2-c2ccc(C#N)cc2)cn1 ZINC001187169233 1050499860 /nfs/dbraw/zinc/49/98/60/1050499860.db2.gz MCKBNMMPNDUUSF-UHFFFAOYSA-N 1 0 345.450 4.117 20 30 EIEDRO Cn1c2ccccc2nc1C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173597974 1050500451 /nfs/dbraw/zinc/50/04/51/1050500451.db2.gz KQAJHIBEDVFECD-UHFFFAOYSA-N 1 0 336.483 4.225 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(Br)c(F)c1 ZINC000618742653 1050501547 /nfs/dbraw/zinc/50/15/47/1050501547.db2.gz NZJGXCJNLTYKDS-QGZVFWFLSA-N 1 0 345.215 4.237 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(F)c(Br)c1 ZINC000618741099 1050502027 /nfs/dbraw/zinc/50/20/27/1050502027.db2.gz CKAXLGYWXMRAQW-KRWDZBQOSA-N 1 0 345.215 4.237 20 30 EIEDRO C[N@@H+](C1CCC(C)(C#N)CC1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001173600361 1050502668 /nfs/dbraw/zinc/50/26/68/1050502668.db2.gz CJACYXCKSRCYLB-OQJVAOMSSA-N 1 0 349.519 4.227 20 30 EIEDRO C[C@@H]([NH2+]Cc1cncc(OCc2ccccc2)c1)c1cccc(C#N)c1 ZINC000618752556 1050506813 /nfs/dbraw/zinc/50/68/13/1050506813.db2.gz RGNAHPDGFQCSQJ-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000182157683 1050516932 /nfs/dbraw/zinc/51/69/32/1050516932.db2.gz ZBRXSFZNQQLZFD-YXKWSERDSA-N 1 0 328.362 4.017 20 30 EIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000618779162 1050520053 /nfs/dbraw/zinc/52/00/53/1050520053.db2.gz BPMGCZKASRWBSI-LJQANCHMSA-N 1 0 328.843 4.340 20 30 EIEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618802343 1050521826 /nfs/dbraw/zinc/52/18/26/1050521826.db2.gz DJEBMWQTYPUKMA-QVKFZJNVSA-N 1 0 347.462 4.115 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618804076 1050533256 /nfs/dbraw/zinc/53/32/56/1050533256.db2.gz JZDMRGHGZHUEPR-RBUKOAKNSA-N 1 0 334.419 4.058 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CCN1Cc1ccccc1 ZINC000618805553 1050534539 /nfs/dbraw/zinc/53/45/39/1050534539.db2.gz HMUKLJUUKORBQZ-OAOOKAIFSA-N 1 0 345.490 4.188 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C2(C(C)(C)c3ccc(F)cc3)CC2)cc1 ZINC001178709552 1050536381 /nfs/dbraw/zinc/53/63/81/1050536381.db2.gz IGNVAPFEVNEAIR-UHFFFAOYSA-N 1 0 337.438 4.438 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3cc(C#N)ccc31)CCS2 ZINC000618807352 1050537318 /nfs/dbraw/zinc/53/73/18/1050537318.db2.gz YPILLCSZWDQCER-MOPGFXCFSA-N 1 0 336.460 4.381 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001178972040 1050600741 /nfs/dbraw/zinc/60/07/41/1050600741.db2.gz OOKMNGRQCGXRGX-OAQYLSRUSA-N 1 0 346.409 4.050 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cc(OC)c1O ZINC000093445093 1050601765 /nfs/dbraw/zinc/60/17/65/1050601765.db2.gz ZBKAOKIZAMJTLL-LJQANCHMSA-N 1 0 338.451 4.170 20 30 EIEDRO CC1(C)CCC[C@@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC001179184142 1050639577 /nfs/dbraw/zinc/63/95/77/1050639577.db2.gz UUXXYEFCEVLKSH-GOSISDBHSA-N 1 0 326.484 4.370 20 30 EIEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(-c3ccc(F)cc3)o1)C2 ZINC001179419878 1050695347 /nfs/dbraw/zinc/69/53/47/1050695347.db2.gz VVVIOAZWAVFDCC-IBGZPJMESA-N 1 0 332.378 4.214 20 30 EIEDRO CC[NH+]1CCN(c2ccc(N[C@@H](C)c3cccc(C#N)c3)c(C)c2)CC1 ZINC000182565331 1050746319 /nfs/dbraw/zinc/74/63/19/1050746319.db2.gz DRYALQLAAPAWHL-SFHVURJKSA-N 1 0 348.494 4.182 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCCc3ccccc3C2)cc(OC)c1O ZINC001179706490 1050760292 /nfs/dbraw/zinc/76/02/92/1050760292.db2.gz QBYLGRUOOMZVJG-FQEVSTJZSA-N 1 0 337.463 4.167 20 30 EIEDRO Cc1ccc(F)c(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000775167387 1050782914 /nfs/dbraw/zinc/78/29/14/1050782914.db2.gz FXILNLGFCBAFDH-UHFFFAOYSA-N 1 0 325.431 4.116 20 30 EIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000619526337 1050802993 /nfs/dbraw/zinc/80/29/93/1050802993.db2.gz VLBVKKJIOOEJSZ-MRXNPFEDSA-N 1 0 333.435 4.283 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000619755937 1050884703 /nfs/dbraw/zinc/88/47/03/1050884703.db2.gz ZTOPQEGKGVUGFF-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000619754929 1050884864 /nfs/dbraw/zinc/88/48/64/1050884864.db2.gz OSRODUCUXAEEDB-GFCCVEGCSA-N 1 0 329.787 4.279 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1Cl ZINC000619755188 1050885121 /nfs/dbraw/zinc/88/51/21/1050885121.db2.gz BTCYDMYUKYOFQU-KRWDZBQOSA-N 1 0 330.790 4.354 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1Cl ZINC000619755783 1050885163 /nfs/dbraw/zinc/88/51/63/1050885163.db2.gz SMAKBKVYLODEHC-UHFFFAOYSA-N 1 0 326.827 4.049 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000619754977 1050885755 /nfs/dbraw/zinc/88/57/55/1050885755.db2.gz PXJPUPCTVONGGJ-GFCCVEGCSA-N 1 0 329.787 4.279 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)cc1Cl ZINC000619748791 1050894529 /nfs/dbraw/zinc/89/45/29/1050894529.db2.gz VDQZLPOEUXNKOC-UHFFFAOYSA-N 1 0 340.789 4.031 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000619748637 1050894559 /nfs/dbraw/zinc/89/45/59/1050894559.db2.gz PJJUYOHSTXHFRH-UHFFFAOYSA-N 1 0 340.732 4.400 20 30 EIEDRO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1 ZINC000619749001 1050896214 /nfs/dbraw/zinc/89/62/14/1050896214.db2.gz VUBZYYHOPKTBQI-HNAYVOBHSA-N 1 0 339.870 4.137 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000182935428 1050908653 /nfs/dbraw/zinc/90/86/53/1050908653.db2.gz MLXQQSONUQNXQB-LSDHHAIUSA-N 1 0 339.439 4.063 20 30 EIEDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(C)(C)C#N)cc1 ZINC000619815992 1050919042 /nfs/dbraw/zinc/91/90/42/1050919042.db2.gz DGSAIMLEMPZIOB-UXHICEINSA-N 1 0 346.478 4.042 20 30 EIEDRO Cc1cc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)ccc1C#N ZINC001180224765 1050919305 /nfs/dbraw/zinc/91/93/05/1050919305.db2.gz JBMVCDVTGJICJT-QFIPXVFZSA-N 1 0 334.463 4.090 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)c(C)s1 ZINC000182989334 1050929059 /nfs/dbraw/zinc/92/90/59/1050929059.db2.gz WUFLLVWPNVECRU-LLVKDONJSA-N 1 0 347.509 4.204 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000153050214 1050943173 /nfs/dbraw/zinc/94/31/73/1050943173.db2.gz BCOQWCGSKUPPSJ-CQSZACIVSA-N 1 0 342.405 4.276 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CC[C@@H]([NH+](C)C)CC2)c1 ZINC001189285162 1050943459 /nfs/dbraw/zinc/94/34/59/1050943459.db2.gz IJYBSXKZOOSXFD-KDURUIRLSA-N 1 0 343.515 4.127 20 30 EIEDRO C[C@H](CC1CCCCC1)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001180546307 1051033151 /nfs/dbraw/zinc/03/31/51/1051033151.db2.gz HEGVYNYMCXHYEV-GOSISDBHSA-N 1 0 325.500 4.287 20 30 EIEDRO CCCCC[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000775320103 1051061480 /nfs/dbraw/zinc/06/14/80/1051061480.db2.gz MJZXRXAHDQFSCF-NRFANRHFSA-N 1 0 349.478 4.086 20 30 EIEDRO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC001180687344 1051062576 /nfs/dbraw/zinc/06/25/76/1051062576.db2.gz QGRZXWQWWMFZHP-UHFFFAOYSA-N 1 0 345.487 4.040 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1cccc(C#N)c1 ZINC000775335536 1051089125 /nfs/dbraw/zinc/08/91/25/1051089125.db2.gz LUZRYPRPYGQNHV-AWEZNQCLSA-N 1 0 339.464 4.183 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)CCC)cc1OC ZINC000620434890 1051130781 /nfs/dbraw/zinc/13/07/81/1051130781.db2.gz KMPVVUZNNNHZMU-GFCCVEGCSA-N 1 0 342.277 4.301 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc(F)c(Cl)c2)cc1 ZINC000763619726 1051139635 /nfs/dbraw/zinc/13/96/35/1051139635.db2.gz AZXICNCTWVGZRX-ZDUSSCGKSA-N 1 0 332.806 4.402 20 30 EIEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780728183 1051142479 /nfs/dbraw/zinc/14/24/79/1051142479.db2.gz ITPKAVHIZYTQGI-QZTJIDSGSA-N 1 0 328.456 4.090 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001190349380 1051159488 /nfs/dbraw/zinc/15/94/88/1051159488.db2.gz WCOCGEZYCHQLQI-QFIPXVFZSA-N 1 0 333.479 4.045 20 30 EIEDRO CCCCCCC[C@@H](C)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001181133083 1051162122 /nfs/dbraw/zinc/16/21/22/1051162122.db2.gz NJCGNLZFOPEYQZ-QGZVFWFLSA-N 1 0 331.504 4.163 20 30 EIEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC2C[C@H](C)C[C@@H](C)C2)c1 ZINC001190400324 1051169208 /nfs/dbraw/zinc/16/92/08/1051169208.db2.gz YBAWZDYNDDNACK-IAGOWNOFSA-N 1 0 326.484 4.001 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000775393951 1051203905 /nfs/dbraw/zinc/20/39/05/1051203905.db2.gz CJJJEUKEICFBDH-RBUKOAKNSA-N 1 0 348.471 4.474 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC001181417493 1051219869 /nfs/dbraw/zinc/21/98/69/1051219869.db2.gz ANUKFYWZAYQZMT-DZGCQCFKSA-N 1 0 331.378 4.343 20 30 EIEDRO C#CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000775400336 1051227521 /nfs/dbraw/zinc/22/75/21/1051227521.db2.gz ZFCQULXBECMOIN-INIZCTEOSA-N 1 0 347.245 4.286 20 30 EIEDRO C=CC[N@H+](CCC(=O)Nc1cc(F)ccc1C)CCc1ccccc1 ZINC001190700158 1051248252 /nfs/dbraw/zinc/24/82/52/1051248252.db2.gz VLOVPTZIGSOLDG-UHFFFAOYSA-N 1 0 340.442 4.193 20 30 EIEDRO C=C(C[NH2+]Cc1cccc(OCc2ccccn2)c1)c1ccccc1 ZINC000620756956 1051275900 /nfs/dbraw/zinc/27/59/00/1051275900.db2.gz WUVBKUOQLCRNCO-UHFFFAOYSA-N 1 0 330.431 4.464 20 30 EIEDRO C=C1CC(C(=O)N2CCCC3(C[NH+](C[C@H](CC)CCCC)C3)C2)C1 ZINC001272708835 1051291977 /nfs/dbraw/zinc/29/19/77/1051291977.db2.gz GKVGYIBSFVTJIG-GOSISDBHSA-N 1 0 332.532 4.093 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190943461 1051305564 /nfs/dbraw/zinc/30/55/64/1051305564.db2.gz YVQXSCUFHCHJSA-LJQANCHMSA-N 1 0 347.462 4.237 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](CCc3ccc(Cl)cc3)CC2)c1 ZINC001190905146 1051308198 /nfs/dbraw/zinc/30/81/98/1051308198.db2.gz WGJQBBUPJOUVAS-UHFFFAOYSA-N 1 0 340.854 4.298 20 30 EIEDRO CCCCCCCCNC(=O)Nc1cc(C)nn1-c1cc[nH+]cc1 ZINC001191052091 1051334604 /nfs/dbraw/zinc/33/46/04/1051334604.db2.gz IKQMWNJKPJRRIT-UHFFFAOYSA-N 1 0 329.448 4.058 20 30 EIEDRO CCCCCCCCNC(=O)NC1CC[NH+](C(CC)CC)CC1 ZINC001191077384 1051342965 /nfs/dbraw/zinc/34/29/65/1051342965.db2.gz YPQWCPSKGGULJE-UHFFFAOYSA-N 1 0 325.541 4.299 20 30 EIEDRO CCCCCCCNC(=O)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001191112756 1051354785 /nfs/dbraw/zinc/35/47/85/1051354785.db2.gz KIEQRCXSBJTXOR-UHFFFAOYSA-N 1 0 349.494 4.060 20 30 EIEDRO CCCCCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001191121624 1051355836 /nfs/dbraw/zinc/35/58/36/1051355836.db2.gz FMLWYDCNDLOJHB-QUCCMNQESA-N 1 0 345.531 4.167 20 30 EIEDRO CCCCCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001191121622 1051356523 /nfs/dbraw/zinc/35/65/23/1051356523.db2.gz FMLWYDCNDLOJHB-AZUAARDMSA-N 1 0 345.531 4.167 20 30 EIEDRO CCC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001191174617 1051373111 /nfs/dbraw/zinc/37/31/11/1051373111.db2.gz PNPCBGPHYBBVGW-OTWHNJEPSA-N 1 0 331.887 4.217 20 30 EIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC001191213773 1051387545 /nfs/dbraw/zinc/38/75/45/1051387545.db2.gz KNAXYIMXZZRYRJ-SFTDATJTSA-N 1 0 347.462 4.073 20 30 EIEDRO N#CC1CCC([NH2+]Cc2ccc(C(=O)OCc3ccccc3)cc2)CC1 ZINC001182181787 1051413249 /nfs/dbraw/zinc/41/32/49/1051413249.db2.gz ASDKZDYKJMPORC-UHFFFAOYSA-N 1 0 348.446 4.216 20 30 EIEDRO Cc1cccc([C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)C(C)C)c1 ZINC001175203939 1051419789 /nfs/dbraw/zinc/41/97/89/1051419789.db2.gz YCOFMLCMAHGUHF-NRFANRHFSA-N 1 0 335.451 4.182 20 30 EIEDRO CC(C)[C@H](CO)[N@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC001191306527 1051421473 /nfs/dbraw/zinc/42/14/73/1051421473.db2.gz QLTVUBMTEYHMLL-NRFANRHFSA-N 1 0 341.882 4.211 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000774145856 1051479843 /nfs/dbraw/zinc/47/98/43/1051479843.db2.gz CIMPDRCADVYVOW-HRAATJIYSA-N 1 0 347.462 4.487 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000774145860 1051480321 /nfs/dbraw/zinc/48/03/21/1051480321.db2.gz CIMPDRCADVYVOW-IIBYNOLFSA-N 1 0 347.462 4.487 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000774149503 1051484424 /nfs/dbraw/zinc/48/44/24/1051484424.db2.gz XATTZLSBVWJXCA-ZWKOTPCHSA-N 1 0 348.368 4.351 20 30 EIEDRO N#Cc1ccccc1OCC[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001191626404 1051494493 /nfs/dbraw/zinc/49/44/93/1051494493.db2.gz IIWKUWHZDMMCHB-IRLDBZIGSA-N 1 0 332.447 4.338 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC(C)C)cc1)c1ccc(C#N)cc1 ZINC000774199673 1051496573 /nfs/dbraw/zinc/49/65/73/1051496573.db2.gz AWECLSZMUKVZFX-LEWJYISDSA-N 1 0 338.451 4.120 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000774230271 1051508028 /nfs/dbraw/zinc/50/80/28/1051508028.db2.gz HWRSLUTVBIHMDH-UAOJZALGSA-N 1 0 326.415 4.250 20 30 EIEDRO CC(C)c1cccc(C(C)C)c1NC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001191665120 1051513835 /nfs/dbraw/zinc/51/38/35/1051513835.db2.gz ANQMRDOVXPAPEQ-UHFFFAOYSA-N 1 0 342.487 4.043 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000774256618 1051530211 /nfs/dbraw/zinc/53/02/11/1051530211.db2.gz YGXCYNJKXWSOLK-IAGOWNOFSA-N 1 0 332.806 4.125 20 30 EIEDRO N#Cc1ccc(Cl)nc1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175362376 1051550819 /nfs/dbraw/zinc/55/08/19/1051550819.db2.gz NUOYRWUBTLHVEY-UHFFFAOYSA-N 1 0 326.831 4.336 20 30 EIEDRO N#Cc1cn(-c2ccc(C[NH+]3CCCCC3)cc2)c2cc(N)ccc12 ZINC001175363495 1051552365 /nfs/dbraw/zinc/55/23/65/1051552365.db2.gz HCBJGCJBQNOCNA-UHFFFAOYSA-N 1 0 330.435 4.070 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2nc3ccc(F)cc3s2)CCCCC1 ZINC001175371155 1051558019 /nfs/dbraw/zinc/55/80/19/1051558019.db2.gz BKNJBDLIKAEMMR-UHFFFAOYSA-N 1 0 347.459 4.243 20 30 EIEDRO C[C@@]12CN([C@H](C#N)c3ccccc3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001175382986 1051563767 /nfs/dbraw/zinc/56/37/67/1051563767.db2.gz YXIXFTCGRZZBET-DNVJHFABSA-N 1 0 345.490 4.095 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001182442429 1051564362 /nfs/dbraw/zinc/56/43/62/1051564362.db2.gz VLDTTXPGWDWUHT-ROUUACIJSA-N 1 0 331.504 4.021 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C[C@@H]2C[C@H]2C(=O)OCC)C(C)(C)C)cc1 ZINC001192052967 1051626704 /nfs/dbraw/zinc/62/67/04/1051626704.db2.gz RTQKVKFSFDJVAF-PKOBYXMFSA-N 1 0 345.483 4.051 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000775506732 1051646329 /nfs/dbraw/zinc/64/63/29/1051646329.db2.gz CWVYNSWTLUIHTB-BWAGFHJFSA-N 1 0 335.495 4.199 20 30 EIEDRO CC#CCCCCCCCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001182772095 1051707528 /nfs/dbraw/zinc/70/75/28/1051707528.db2.gz QMNOOAZKICYXNH-LJQANCHMSA-N 1 0 332.532 4.264 20 30 EIEDRO C#CCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000775529965 1051741764 /nfs/dbraw/zinc/74/17/64/1051741764.db2.gz PCBHIXVEJVXGKP-IBGZPJMESA-N 1 0 338.451 4.019 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccc(-c2ccccc2)cc1)C1CCOCC1 ZINC001182990421 1051757359 /nfs/dbraw/zinc/75/73/59/1051757359.db2.gz QRNAZPCIHCUNIN-MBSDFSHPSA-N 1 0 333.475 4.303 20 30 EIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccc2[nH]c(-c3ccccc3)cc2c1 ZINC001183076354 1051774598 /nfs/dbraw/zinc/77/45/98/1051774598.db2.gz YPNVCCAYAVTKDS-UHFFFAOYSA-N 1 0 345.446 4.425 20 30 EIEDRO COc1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)ccc1Cl ZINC001175770714 1051777434 /nfs/dbraw/zinc/77/74/34/1051777434.db2.gz HBDLYTIRAGMUTG-UHFFFAOYSA-N 1 0 333.844 4.013 20 30 EIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001192614932 1051778613 /nfs/dbraw/zinc/77/86/13/1051778613.db2.gz DMRRRRYHXZSUTI-ZNYHDOEXSA-N 1 0 340.854 4.232 20 30 EIEDRO CC(C)(C)C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC001192654049 1051779871 /nfs/dbraw/zinc/77/98/71/1051779871.db2.gz TYCWJDMRTHIAQQ-LJQANCHMSA-N 1 0 335.451 4.264 20 30 EIEDRO N#CCC[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775553869 1051833275 /nfs/dbraw/zinc/83/32/75/1051833275.db2.gz RSZPFXNUBDLZFB-QZTJIDSGSA-N 1 0 348.368 4.373 20 30 EIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1cccc(-c2ccccn2)c1 ZINC001183419805 1051841204 /nfs/dbraw/zinc/84/12/04/1051841204.db2.gz SHNGESVBIYVBHF-UHFFFAOYSA-N 1 0 327.431 4.295 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(OC)ccc2F)ccc1OC ZINC000621375260 1051842444 /nfs/dbraw/zinc/84/24/44/1051842444.db2.gz VFXGGGBMZAUVJG-UHFFFAOYSA-N 1 0 345.414 4.088 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+]CC(=O)Nc1cccc2cccnc21 ZINC001183582752 1051870580 /nfs/dbraw/zinc/87/05/80/1051870580.db2.gz PCYULTPLSAJFDB-MRXNPFEDSA-N 1 0 325.456 4.288 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C)[C@H]1CCCO1 ZINC000775573075 1051874476 /nfs/dbraw/zinc/87/44/76/1051874476.db2.gz FVWRVGIMAIZQJX-AFAVFJNCSA-N 1 0 344.455 4.089 20 30 EIEDRO N#Cc1cccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC001193239707 1051890924 /nfs/dbraw/zinc/89/09/24/1051890924.db2.gz RNSOWZJMKPVOSF-VQTJNVASSA-N 1 0 348.471 4.227 20 30 EIEDRO C[C@@H]1CCC[C@@H](CC[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001193324978 1051899991 /nfs/dbraw/zinc/89/99/91/1051899991.db2.gz XEXWBDCZNKLYKQ-LVCYWYKZSA-N 1 0 343.490 4.224 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001183823242 1051908581 /nfs/dbraw/zinc/90/85/81/1051908581.db2.gz QUKMRDCEVULPFU-XLIONFOSSA-N 1 0 349.519 4.039 20 30 EIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cncc(Cl)c1Cl ZINC001183919071 1051928493 /nfs/dbraw/zinc/92/84/93/1051928493.db2.gz GFRAVBPHFURTMR-UHFFFAOYSA-N 1 0 334.250 4.371 20 30 EIEDRO C=CCC[N@@H+](C)Cc1cccc(OC)c1OCc1ccccc1F ZINC001193742706 1051979759 /nfs/dbraw/zinc/97/97/59/1051979759.db2.gz FFIHFUIMEKNJBJ-UHFFFAOYSA-N 1 0 329.415 4.421 20 30 EIEDRO C[NH+](C)C1(CNc2c(C#N)cnc3c(Cl)cccc32)CCCCC1 ZINC001184535523 1052027434 /nfs/dbraw/zinc/02/74/34/1052027434.db2.gz AOEBEXDAVDSIDM-UHFFFAOYSA-N 1 0 342.874 4.436 20 30 EIEDRO C#CCC1([NH2+][C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CCC1 ZINC001176380657 1052028327 /nfs/dbraw/zinc/02/83/27/1052028327.db2.gz FOMKWHPHNRVBTR-SFHVURJKSA-N 1 0 346.474 4.140 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNc1nc(C(F)(F)F)cs1)C(C)C ZINC001184774822 1052103023 /nfs/dbraw/zinc/10/30/23/1052103023.db2.gz AUCZQDFMXJOIHZ-LBPRGKRZSA-N 1 0 333.423 4.272 20 30 EIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001194262259 1052119607 /nfs/dbraw/zinc/11/96/07/1052119607.db2.gz LPCOALPPVVUOFW-OAQYLSRUSA-N 1 0 349.434 4.410 20 30 EIEDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)c1 ZINC000774854810 1052211283 /nfs/dbraw/zinc/21/12/83/1052211283.db2.gz IUZFECKOWZNCBY-CYBMUJFWSA-N 1 0 330.815 4.102 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000774885535 1052246047 /nfs/dbraw/zinc/24/60/47/1052246047.db2.gz WYKQCSBVVDBCQG-CQSZACIVSA-N 1 0 346.377 4.279 20 30 EIEDRO CCC[NH+](CCC)CCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000171243742 1052409574 /nfs/dbraw/zinc/40/95/74/1052409574.db2.gz QXTSLMALLPPZNM-UHFFFAOYSA-N 1 0 344.503 4.121 20 30 EIEDRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000112357589 1052646736 /nfs/dbraw/zinc/64/67/36/1052646736.db2.gz UWWGRELOJREHEW-GOSISDBHSA-N 1 0 341.480 4.196 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000073051937 1052685228 /nfs/dbraw/zinc/68/52/28/1052685228.db2.gz AFRQCHMXMZKGDB-KRWDZBQOSA-N 1 0 327.424 4.164 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccccc1 ZINC000180041224 1052774820 /nfs/dbraw/zinc/77/48/20/1052774820.db2.gz XAEZXYXTRRXHJW-IBGZPJMESA-N 1 0 327.399 4.489 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 ZINC000180048825 1052776570 /nfs/dbraw/zinc/77/65/70/1052776570.db2.gz JNAGKVHVPVXKRC-HXUWFJFHSA-N 1 0 336.435 4.125 20 30 EIEDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623878682 1052828544 /nfs/dbraw/zinc/82/85/44/1052828544.db2.gz NMRWAQRMJPPTNE-RKDXNWHRSA-N 1 0 347.274 4.463 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccsc1 ZINC000181491142 1052885874 /nfs/dbraw/zinc/88/58/74/1052885874.db2.gz TZWSWISKZUVILU-HNAYVOBHSA-N 1 0 327.497 4.353 20 30 EIEDRO Cc1c([C@H](C)[NH2+]CCCC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000182853229 1052952887 /nfs/dbraw/zinc/95/28/87/1052952887.db2.gz PTMQHFJKLHOACS-AWEZNQCLSA-N 1 0 328.435 4.300 20 30 EIEDRO CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001194744599 1053079194 /nfs/dbraw/zinc/07/91/94/1053079194.db2.gz ISURGQNIYIDUBL-JXFKEZNVSA-N 1 0 335.451 4.291 20 30 EIEDRO CCCCCCCCOC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001194753321 1053080289 /nfs/dbraw/zinc/08/02/89/1053080289.db2.gz GMLGITRZUGCJCE-UHFFFAOYSA-N 1 0 347.503 4.133 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](O)c3cc4ccccc4s3)cc2)CC1 ZINC000850188772 1053084061 /nfs/dbraw/zinc/08/40/61/1053084061.db2.gz ZAQGUOJRNKIPNI-GOSISDBHSA-N 1 0 348.471 4.280 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001194818788 1053115418 /nfs/dbraw/zinc/11/54/18/1053115418.db2.gz ZKXGCXQCLOEXDC-KRWDZBQOSA-N 1 0 335.451 4.358 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001194818790 1053117864 /nfs/dbraw/zinc/11/78/64/1053117864.db2.gz ZKXGCXQCLOEXDC-QGZVFWFLSA-N 1 0 335.451 4.358 20 30 EIEDRO C=CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000850354662 1053129124 /nfs/dbraw/zinc/12/91/24/1053129124.db2.gz SOIVXXDZOQFGQL-ZWKOTPCHSA-N 1 0 330.472 4.293 20 30 EIEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000850354659 1053130074 /nfs/dbraw/zinc/13/00/74/1053130074.db2.gz SOIVXXDZOQFGQL-MSOLQXFVSA-N 1 0 330.472 4.293 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)cs1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850412258 1053179541 /nfs/dbraw/zinc/17/95/41/1053179541.db2.gz CIOQMAQWEXDXFO-IRXDYDNUSA-N 1 0 334.872 4.121 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCO2)c1ccc(OCC#N)cc1 ZINC000850441751 1053215289 /nfs/dbraw/zinc/21/52/89/1053215289.db2.gz BMXUGBCHUOAEHQ-HZPDHXFCSA-N 1 0 336.435 4.326 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000850468363 1053244512 /nfs/dbraw/zinc/24/45/12/1053244512.db2.gz ZJFXVUSGURGVER-ZDUSSCGKSA-N 1 0 326.827 4.387 20 30 EIEDRO CCC[N@H+](C)[C@@H](C/N=C\c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000794679818 1053259982 /nfs/dbraw/zinc/25/99/82/1053259982.db2.gz JFFBEIOZFNOLFI-WCEBZYJUSA-N 1 0 346.858 4.253 20 30 EIEDRO C=CCCSCC[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000850501709 1053266438 /nfs/dbraw/zinc/26/64/38/1053266438.db2.gz FYALPMJPOSQKGB-GFCCVEGCSA-N 1 0 347.347 4.256 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000794692537 1053318004 /nfs/dbraw/zinc/31/80/04/1053318004.db2.gz XZBKSYJXECOMNH-PKTZIBPZSA-N 1 0 342.442 4.317 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)cc1 ZINC001195279964 1053358953 /nfs/dbraw/zinc/35/89/53/1053358953.db2.gz QJXAFPPQYKUVNI-RBUKOAKNSA-N 1 0 326.484 4.143 20 30 EIEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]CCOc1ccccc1C#N ZINC001195343361 1053377091 /nfs/dbraw/zinc/37/70/91/1053377091.db2.gz ZRHQRRFCUUPIAT-UHFFFAOYSA-N 1 0 344.842 4.124 20 30 EIEDRO N#CCCOCC[NH2+][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000339071357 1053381385 /nfs/dbraw/zinc/38/13/85/1053381385.db2.gz KXDIRVWUTJTEIO-FGZHOGPDSA-N 1 0 334.463 4.368 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC001195393244 1053396419 /nfs/dbraw/zinc/39/64/19/1053396419.db2.gz CAHXJNVSWTXQSY-IBGZPJMESA-N 1 0 342.483 4.343 20 30 EIEDRO C#CC[C@H]1CCCN(Cc2cccc(Br)c2Cl)C1 ZINC001195464365 1053407471 /nfs/dbraw/zinc/40/74/71/1053407471.db2.gz UEZWPZPWPUIHAA-LBPRGKRZSA-N 1 0 326.665 4.338 20 30 EIEDRO C=CCn1c(-c2ccccc2C)nn(CN2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765025964 1053422658 /nfs/dbraw/zinc/42/26/58/1053422658.db2.gz AZUSMNQSIGVRII-HOCLYGCPSA-N 1 0 342.512 4.263 20 30 EIEDRO CC(C)(C)OC(=O)CC1([NH2+]Cc2ccc(CC#N)cc2)CCCCC1 ZINC001195566028 1053436413 /nfs/dbraw/zinc/43/64/13/1053436413.db2.gz DWGHWIAYHMGROL-UHFFFAOYSA-N 1 0 342.483 4.277 20 30 EIEDRO CC(C)(C)OC(=O)CC1([NH2+]Cc2cccc(C#N)c2)CCCCC1 ZINC001195566185 1053437216 /nfs/dbraw/zinc/43/72/16/1053437216.db2.gz GVYQRECFMKCKDT-UHFFFAOYSA-N 1 0 328.456 4.083 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC3(CCc4ccccc4C3)CC2)cc1F ZINC001195767652 1053475323 /nfs/dbraw/zinc/47/53/23/1053475323.db2.gz MSZAXKYWFAORKT-UHFFFAOYSA-N 1 0 334.438 4.468 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2csc(C)c2C)ccc1OC ZINC000865460332 1053515434 /nfs/dbraw/zinc/51/54/34/1053515434.db2.gz KJRANXWSPYYCJN-QGZVFWFLSA-N 1 0 344.480 4.344 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccc(C(F)(F)F)cc1 ZINC000851905720 1053529725 /nfs/dbraw/zinc/52/97/25/1053529725.db2.gz NZWFZHZXKYOAJX-LSDHHAIUSA-N 1 0 327.346 4.008 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000765390114 1053531232 /nfs/dbraw/zinc/53/12/32/1053531232.db2.gz AGVZJOXVRGMKPR-YWZLYKJASA-N 1 0 339.410 4.402 20 30 EIEDRO CN(CCC(C#N)(c1ccccc1)c1ccccc1)Cc1ccns1 ZINC001195977410 1053538947 /nfs/dbraw/zinc/53/89/47/1053538947.db2.gz FMIWBKDAFBITPF-UHFFFAOYSA-N 1 0 347.487 4.475 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCc2ccc3ccccc3n2)cc1 ZINC000765455188 1053554134 /nfs/dbraw/zinc/55/41/34/1053554134.db2.gz BPFOXEWAQRGABV-QGZVFWFLSA-N 1 0 330.431 4.140 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC001196057975 1053566829 /nfs/dbraw/zinc/56/68/29/1053566829.db2.gz UKMIYCDQIDSMSU-CRAIPNDOSA-N 1 0 334.891 4.071 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000865694517 1053572137 /nfs/dbraw/zinc/57/21/37/1053572137.db2.gz HFYZMRHECUMAOY-UHFFFAOYSA-N 1 0 331.872 4.032 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000852410358 1053575081 /nfs/dbraw/zinc/57/50/81/1053575081.db2.gz LJMNALZDUKVCPP-GOSISDBHSA-N 1 0 328.500 4.090 20 30 EIEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000852442961 1053579573 /nfs/dbraw/zinc/57/95/73/1053579573.db2.gz IVQPMHSZBKCGLI-KURKYZTESA-N 1 0 338.451 4.406 20 30 EIEDRO CC1(C)CCCC[C@@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC001196218282 1053613380 /nfs/dbraw/zinc/61/33/80/1053613380.db2.gz OETHCHBELXXOTR-LJQANCHMSA-N 1 0 326.484 4.370 20 30 EIEDRO CC[N@H+](Cc1ccc(Br)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171972142 1053629954 /nfs/dbraw/zinc/62/99/54/1053629954.db2.gz JCAMYAZOANMPLT-ZDUSSCGKSA-N 1 0 344.256 4.299 20 30 EIEDRO C=CCOCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001196312358 1053630106 /nfs/dbraw/zinc/63/01/06/1053630106.db2.gz NGMLVIJQSBEZOA-KRWDZBQOSA-N 1 0 327.390 4.305 20 30 EIEDRO Clc1cc(N=NCC2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000853397660 1053674625 /nfs/dbraw/zinc/67/46/25/1053674625.db2.gz SSRNNDIKMOFIGU-UHFFFAOYSA-N 1 0 328.847 4.045 20 30 EIEDRO CCc1cccc2c(CC[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)c[nH]c21 ZINC000111397678 1053682919 /nfs/dbraw/zinc/68/29/19/1053682919.db2.gz CZSXSAFVUDXXOY-MRXNPFEDSA-N 1 0 347.462 4.353 20 30 EIEDRO C[C@@]1(C#N)CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000853598958 1053688789 /nfs/dbraw/zinc/68/87/89/1053688789.db2.gz HMMWVWOQZBFTNL-KRWDZBQOSA-N 1 0 345.240 4.043 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@H](CC)CCc1ccc(Br)cc1 ZINC001205780284 1053705952 /nfs/dbraw/zinc/70/59/52/1053705952.db2.gz HLLZCDVWPFGERM-SJORKVTESA-N 1 0 340.305 4.077 20 30 EIEDRO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001196622927 1053715187 /nfs/dbraw/zinc/71/51/87/1053715187.db2.gz MSECFXZPZGYMLI-AWEZNQCLSA-N 1 0 342.389 4.473 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccco1 ZINC000866422522 1053725608 /nfs/dbraw/zinc/72/56/08/1053725608.db2.gz OIPHIOBFQLYEIZ-GOSISDBHSA-N 1 0 327.424 4.296 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000866448446 1053733151 /nfs/dbraw/zinc/73/31/51/1053733151.db2.gz FZGMVHIPASMSEH-OAQYLSRUSA-N 1 0 346.478 4.064 20 30 EIEDRO CCCOc1ccc([C@H](C)[NH2+]Cc2csc(C#N)c2)cc1OC ZINC000921540202 1053753051 /nfs/dbraw/zinc/75/30/51/1053753051.db2.gz KSXJMMGAPPRDDC-ZDUSSCGKSA-N 1 0 330.453 4.268 20 30 EIEDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866617167 1053806840 /nfs/dbraw/zinc/80/68/40/1053806840.db2.gz FYUZZKXCLWRZFS-QWQRMKEZSA-N 1 0 347.487 4.417 20 30 EIEDRO CC1(C)[C@H](c2cccc(C(F)(F)F)c2)CC[N@@H+]1CCOCCC#N ZINC001197051930 1053825765 /nfs/dbraw/zinc/82/57/65/1053825765.db2.gz OLKXDKPWDZOAPY-INIZCTEOSA-N 1 0 340.389 4.204 20 30 EIEDRO N#Cc1ccc(-c2ccn(C[NH+]3CCC(c4ccsc4)CC3)n2)cc1 ZINC000776782354 1053874323 /nfs/dbraw/zinc/87/43/23/1053874323.db2.gz WISGEJZPTPGRNK-UHFFFAOYSA-N 1 0 348.475 4.320 20 30 EIEDRO COc1cccc([C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2(C)C)c1 ZINC001197422599 1053904510 /nfs/dbraw/zinc/90/45/10/1053904510.db2.gz TXIFHNFIYGYYKF-IBGZPJMESA-N 1 0 338.426 4.474 20 30 EIEDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000122184433 1053906600 /nfs/dbraw/zinc/90/66/00/1053906600.db2.gz NGKXLRJHMSJCFT-INIZCTEOSA-N 1 0 325.431 4.369 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc3ncsc3c2)cc1 ZINC000776807278 1053907506 /nfs/dbraw/zinc/90/75/06/1053907506.db2.gz GEUIFKIBCBFVSF-KGLIPLIRSA-N 1 0 337.448 4.438 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccc(C)c2C)ccc1OC ZINC000113348240 1053927205 /nfs/dbraw/zinc/92/72/05/1053927205.db2.gz DXIQRLCRCIGDDN-IBGZPJMESA-N 1 0 338.451 4.283 20 30 EIEDRO CC[C@@](O)(C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000930207483 1053935548 /nfs/dbraw/zinc/93/55/48/1053935548.db2.gz ORCHHXPZPQHTLE-VXGBXAGGSA-N 1 0 347.274 4.112 20 30 EIEDRO C=CCC[C@H]([NH2+]CCOCCC#N)c1ccc(C(F)(F)F)cc1 ZINC001168563861 1054027198 /nfs/dbraw/zinc/02/71/98/1054027198.db2.gz NXFDTZLYZLHVLD-INIZCTEOSA-N 1 0 326.362 4.233 20 30 EIEDRO C#CCCC[N@H+]1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC000795122004 1054099690 /nfs/dbraw/zinc/09/96/90/1054099690.db2.gz MSEYOURJNHTSCL-JOCHJYFZSA-N 1 0 326.528 4.065 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001198244116 1054109805 /nfs/dbraw/zinc/10/98/05/1054109805.db2.gz ZYKWLIKWIJLWMY-JOCHJYFZSA-N 1 0 330.431 4.307 20 30 EIEDRO CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001198429948 1054143544 /nfs/dbraw/zinc/14/35/44/1054143544.db2.gz PRAHKJHIDUNMGW-CQSZACIVSA-N 1 0 345.512 4.092 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cnn(CC2CCC2)c1 ZINC001198554217 1054195817 /nfs/dbraw/zinc/19/58/17/1054195817.db2.gz QRILDRSQKDOAQC-HNNXBMFYSA-N 1 0 327.859 4.039 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC001168575455 1054223735 /nfs/dbraw/zinc/22/37/35/1054223735.db2.gz GSVJCDGDJMOUCN-QFIXIFRTSA-N 1 0 336.435 4.138 20 30 EIEDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CCC2(C#N)CCCCC2)[C@H]1C ZINC001198666907 1054228288 /nfs/dbraw/zinc/22/82/88/1054228288.db2.gz GWYVIFWAAAEJNN-VSZNYVQBSA-N 1 0 334.504 4.149 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CCO1 ZINC000872038987 1054353272 /nfs/dbraw/zinc/35/32/72/1054353272.db2.gz QFWIGGJPQOJAOO-INIZCTEOSA-N 1 0 326.465 4.334 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000872045485 1054359032 /nfs/dbraw/zinc/35/90/32/1054359032.db2.gz MRRPMUBOGIPSMF-YQVWRLOYSA-N 1 0 330.472 4.051 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000872047467 1054360087 /nfs/dbraw/zinc/36/00/87/1054360087.db2.gz DJTVGNGIDVGLMB-KRWDZBQOSA-N 1 0 337.385 4.138 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCOc2ccc(F)cc2)cc1Cl ZINC001199228437 1054370571 /nfs/dbraw/zinc/37/05/71/1054370571.db2.gz VBRPOEWLXUIZNU-UHFFFAOYSA-N 1 0 335.806 4.213 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1cc(F)ccc1F ZINC000123945924 1054383602 /nfs/dbraw/zinc/38/36/02/1054383602.db2.gz FRPNLWWBSGQRCO-YJYMSZOUSA-N 1 0 330.378 4.497 20 30 EIEDRO CCCCOc1ccc(CC[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC001199352972 1054390796 /nfs/dbraw/zinc/39/07/96/1054390796.db2.gz BJULMANKGIUIAX-UHFFFAOYSA-N 1 0 326.415 4.209 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000872125331 1054404809 /nfs/dbraw/zinc/40/48/09/1054404809.db2.gz ZALAGEJASFNWTQ-CJNGLKHVSA-N 1 0 347.434 4.345 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000776002513 1054437351 /nfs/dbraw/zinc/43/73/51/1054437351.db2.gz FBVCXQIODQHWRY-YLJYHZDGSA-N 1 0 325.452 4.283 20 30 EIEDRO C[C@H]([NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc(OCC#N)cc1 ZINC000858457283 1054494424 /nfs/dbraw/zinc/49/44/24/1054494424.db2.gz HXUCMLXCYGSIKP-KUWYXTSNSA-N 1 0 338.838 4.231 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000859162278 1054635882 /nfs/dbraw/zinc/63/58/82/1054635882.db2.gz XRKABBMBGYMLEX-ZWKOTPCHSA-N 1 0 326.465 4.016 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1C#N ZINC000859228905 1054647801 /nfs/dbraw/zinc/64/78/01/1054647801.db2.gz FQOVJHZCTIYGQA-OAHLLOKOSA-N 1 0 348.450 4.001 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc1C#N ZINC000859309387 1054660289 /nfs/dbraw/zinc/66/02/89/1054660289.db2.gz NEXZCGYKXSDNFB-KRWDZBQOSA-N 1 0 347.462 4.234 20 30 EIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000125002831 1054661177 /nfs/dbraw/zinc/66/11/77/1054661177.db2.gz FZEDXBRZNJKLLX-VIFPVBQESA-N 1 0 349.066 4.017 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000776161074 1054786317 /nfs/dbraw/zinc/78/63/17/1054786317.db2.gz STYGWHPVOWSZNY-AUUYWEPGSA-N 1 0 340.398 4.293 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)C1(CC)CC ZINC000776162873 1054787943 /nfs/dbraw/zinc/78/79/43/1054787943.db2.gz NDHIGDHWFHWAMD-KFKAGJAMSA-N 1 0 330.472 4.223 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000776168008 1054800272 /nfs/dbraw/zinc/80/02/72/1054800272.db2.gz IWJZWDLWNDPVQI-IAGOWNOFSA-N 1 0 327.472 4.335 20 30 EIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Oc1ccccc1C ZINC000776170264 1054802085 /nfs/dbraw/zinc/80/20/85/1054802085.db2.gz ORRMSQWKNXBIFX-HKUYNNGSSA-N 1 0 338.451 4.406 20 30 EIEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@H](C)CCC=C(C)C)CC2 ZINC001201486447 1054815481 /nfs/dbraw/zinc/81/54/81/1054815481.db2.gz JTQHXPXESCXXBM-TZIWHRDSSA-N 1 0 332.532 4.402 20 30 EIEDRO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C#N ZINC001201477648 1054828980 /nfs/dbraw/zinc/82/89/80/1054828980.db2.gz KDGPFJCOLGWOFY-YADHBBJMSA-N 1 0 340.430 4.163 20 30 EIEDRO CCCCC[NH+]1CCC(C#N)(c2ccc(Br)cc2)CC1 ZINC001201735439 1054904483 /nfs/dbraw/zinc/90/44/83/1054904483.db2.gz SVAIQXKEUOADLB-UHFFFAOYSA-N 1 0 335.289 4.496 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)C(C)(C)c2ccc(C#N)cc2)cc1 ZINC000861225950 1054914280 /nfs/dbraw/zinc/91/42/80/1054914280.db2.gz XMZLJNPCIVCCLS-UHFFFAOYSA-N 1 0 349.478 4.316 20 30 EIEDRO CCCCCCCCCC[N@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001201852897 1054923391 /nfs/dbraw/zinc/92/33/91/1054923391.db2.gz QVBDNGHPUJXPCP-LJQANCHMSA-N 1 0 335.536 4.497 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001201838658 1054930762 /nfs/dbraw/zinc/93/07/62/1054930762.db2.gz BHWMYWOXUSUVFQ-IFMALSPDSA-N 1 0 342.527 4.343 20 30 EIEDRO C[C@H](CCC#N)C[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000876586828 1054931896 /nfs/dbraw/zinc/93/18/96/1054931896.db2.gz LHRDEQCTACPMME-SJLPKXTDSA-N 1 0 349.519 4.038 20 30 EIEDRO CCCCCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001201847317 1054933438 /nfs/dbraw/zinc/93/34/38/1054933438.db2.gz UXCSDKNBQSITQX-ZWKOTPCHSA-N 1 0 332.488 4.177 20 30 EIEDRO CCCCCCCC[NH+]1CCN(C[C@@H](OC)c2ccccc2)CC1 ZINC001201840278 1054935198 /nfs/dbraw/zinc/93/51/98/1054935198.db2.gz RUYLCAWQLAFKBO-OAQYLSRUSA-N 1 0 332.532 4.352 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC000876630328 1054940970 /nfs/dbraw/zinc/94/09/70/1054940970.db2.gz XFIHGSLMSQHAHC-OCCSQVGLSA-N 1 0 326.893 4.294 20 30 EIEDRO COc1ccccc1C1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCC1 ZINC001201929822 1054942785 /nfs/dbraw/zinc/94/27/85/1054942785.db2.gz UITBXHMYOVMZBQ-UHFFFAOYSA-N 1 0 346.474 4.462 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000877080311 1055014098 /nfs/dbraw/zinc/01/40/98/1055014098.db2.gz AZDKZSGZLWCPDQ-GXFFZTMASA-N 1 0 331.769 4.065 20 30 EIEDRO Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137117647 1055040749 /nfs/dbraw/zinc/04/07/49/1055040749.db2.gz AFYCIMFXAAVWFB-UHFFFAOYSA-N 1 0 346.474 4.377 20 30 EIEDRO COCCCC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000877488937 1055063145 /nfs/dbraw/zinc/06/31/45/1055063145.db2.gz JEADDJLUWGGUIZ-GOSISDBHSA-N 1 0 343.858 4.254 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)CC[P@@](C)(=O)OCC)c1ccc(Cl)cc1F ZINC000877516814 1055067469 /nfs/dbraw/zinc/06/74/69/1055067469.db2.gz ITELCHREDSNHEZ-KGFDFFDMSA-N 1 0 345.782 4.466 20 30 EIEDRO C#C[C@@H]([NH2+]CCCP(=O)(OCC)OCC)c1ccc(Cl)cc1 ZINC000877542139 1055075711 /nfs/dbraw/zinc/07/57/11/1055075711.db2.gz WJDJRCKSEGLOED-MRXNPFEDSA-N 1 0 343.791 4.260 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)CC[P@](C)(=O)OCC)c1ccc(Cl)cc1 ZINC000877542408 1055077059 /nfs/dbraw/zinc/07/70/59/1055077059.db2.gz YGVVIBZCKRQICS-ZQWRNJAYSA-N 1 0 327.792 4.327 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccccc1CN(C)C(=O)OC(C)(C)C ZINC000877612674 1055090861 /nfs/dbraw/zinc/09/08/61/1055090861.db2.gz UHTBPRQQNUCGBM-INIZCTEOSA-N 1 0 345.487 4.083 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000877806650 1055123590 /nfs/dbraw/zinc/12/35/90/1055123590.db2.gz KTXBGICCTVRRQM-MRXNPFEDSA-N 1 0 330.472 4.052 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000877809756 1055126080 /nfs/dbraw/zinc/12/60/80/1055126080.db2.gz REIHSSWCILTACB-UHFFFAOYSA-N 1 0 347.434 4.345 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822552 1055127382 /nfs/dbraw/zinc/12/73/82/1055127382.db2.gz RJWHLRDHZGNACD-CZUORRHYSA-N 1 0 340.389 4.029 20 30 EIEDRO N#Cc1ccc(Br)c(C[NH2+]C(C2CCC2)C2CCC2)c1 ZINC001202314066 1055137271 /nfs/dbraw/zinc/13/72/71/1055137271.db2.gz CNFVKUNNYBZKAH-UHFFFAOYSA-N 1 0 333.273 4.379 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000877903637 1055150133 /nfs/dbraw/zinc/15/01/33/1055150133.db2.gz ZILHSWGVTIEIMZ-QUCCMNQESA-N 1 0 338.476 4.326 20 30 EIEDRO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1C ZINC000877929537 1055155553 /nfs/dbraw/zinc/15/55/53/1055155553.db2.gz GVPRXMCCOUNKCD-JOCHJYFZSA-N 1 0 334.463 4.258 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cccc(F)c2F)c1 ZINC000776309350 1055190706 /nfs/dbraw/zinc/19/07/06/1055190706.db2.gz CWXHJIJAEDTJLL-DZGCQCFKSA-N 1 0 330.378 4.497 20 30 EIEDRO CC(=O)[C@](C#N)(CCN(C)Cc1cc2ccccc2o1)c1ccccc1 ZINC000878159572 1055195581 /nfs/dbraw/zinc/19/55/81/1055195581.db2.gz YZKOMXUITAIYSO-JOCHJYFZSA-N 1 0 346.430 4.305 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000126943452 1055198127 /nfs/dbraw/zinc/19/81/27/1055198127.db2.gz FYYAAJYORZLXTR-QFBILLFUSA-N 1 0 338.426 4.181 20 30 EIEDRO CO[C@H]1C[C@@H](C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000878216759 1055211728 /nfs/dbraw/zinc/21/17/28/1055211728.db2.gz NHDGPFPUBSYQCO-TYKWCNGQSA-N 1 0 338.426 4.125 20 30 EIEDRO C=CC1CCN([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000111259620 1055217122 /nfs/dbraw/zinc/21/71/22/1055217122.db2.gz PPOLGWOTXDLIIZ-HNNXBMFYSA-N 1 0 347.528 4.095 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000112515239 1055231725 /nfs/dbraw/zinc/23/17/25/1055231725.db2.gz BGYPESRPBYKHOF-CVEARBPZSA-N 1 0 328.481 4.002 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000878353336 1055258849 /nfs/dbraw/zinc/25/88/49/1055258849.db2.gz WLPIMMRAWUHYKY-HOTGVXAUSA-N 1 0 326.440 4.284 20 30 EIEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccccc2)C(=S)NC)cc1 ZINC000022733833 1055326120 /nfs/dbraw/zinc/32/61/20/1055326120.db2.gz PYUXASXYQPOBMJ-UHFFFAOYSA-O 1 0 341.500 4.036 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cc1 ZINC000127175829 1055338725 /nfs/dbraw/zinc/33/87/25/1055338725.db2.gz XXLLDWQOEJDZGD-MOPGFXCFSA-N 1 0 326.827 4.082 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000878649130 1055366088 /nfs/dbraw/zinc/36/60/88/1055366088.db2.gz XKKCMJWVRQGJTD-JTHBVZDNSA-N 1 0 346.474 4.307 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1cc(C#N)ccn1)c1ccccc1Cl ZINC000553251728 1055376528 /nfs/dbraw/zinc/37/65/28/1055376528.db2.gz GYNWPFAADLNIQJ-KRWDZBQOSA-N 1 0 328.847 4.102 20 30 EIEDRO C=CCC1(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)CCCC1 ZINC001128061897 1055707510 /nfs/dbraw/zinc/70/75/10/1055707510.db2.gz ZKVGQDKLWQUSBZ-IEBWSBKVSA-N 1 0 328.500 4.239 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(C#N)s1 ZINC000123024687 1055761426 /nfs/dbraw/zinc/76/14/26/1055761426.db2.gz OJZVQZTWMQLNJV-UHFFFAOYSA-N 1 0 337.448 4.339 20 30 EIEDRO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]CC(C)(C)CCC#N ZINC000619198343 1055804355 /nfs/dbraw/zinc/80/43/55/1055804355.db2.gz ZFYNXUPKESUNMO-UHFFFAOYSA-N 1 0 338.499 4.417 20 30 EIEDRO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273420792 1055806806 /nfs/dbraw/zinc/80/68/06/1055806806.db2.gz JTZRCEDCZJRZTI-QUCCMNQESA-N 1 0 342.389 4.189 20 30 EIEDRO C[C@H]([NH2+]CCc1ccccc1Br)c1ccc(C#N)cc1 ZINC000553759522 1055818588 /nfs/dbraw/zinc/81/85/88/1055818588.db2.gz RNJBUCFGCRKZAL-ZDUSSCGKSA-N 1 0 329.241 4.214 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000186434085 1055823117 /nfs/dbraw/zinc/82/31/17/1055823117.db2.gz IEFSPKXMDSRHGJ-KSSFIOAISA-N 1 0 348.368 4.413 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(OCC)c1)C1CC1 ZINC000542693808 1055836844 /nfs/dbraw/zinc/83/68/44/1055836844.db2.gz YOQARIZMYHBNGE-UHFFFAOYSA-N 1 0 329.362 4.177 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)cc1Cl ZINC000542708589 1055853225 /nfs/dbraw/zinc/85/32/25/1055853225.db2.gz GQGHCYIQYHCEML-HNNXBMFYSA-N 1 0 335.875 4.296 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Cl)s1 ZINC000273484504 1055888850 /nfs/dbraw/zinc/88/88/50/1055888850.db2.gz IXGLDSPFXVVRCY-SNVBAGLBSA-N 1 0 339.873 4.014 20 30 EIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3ncccc3C#N)cc2)C1 ZINC000301082466 1055893088 /nfs/dbraw/zinc/89/30/88/1055893088.db2.gz IFAWFTHDWXLHDE-CALCHBBNSA-N 1 0 334.467 4.043 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1snc(Cl)c1C#N)c1ccccc1 ZINC000301118513 1055897071 /nfs/dbraw/zinc/89/70/71/1055897071.db2.gz XJCYEYWUDAXYGH-AWEZNQCLSA-N 1 0 334.876 4.163 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1ccc(Cl)c(C#N)n1)c1ccsc1 ZINC000301166520 1055901265 /nfs/dbraw/zinc/90/12/65/1055901265.db2.gz HVJFMQHYMCMUDW-HNNXBMFYSA-N 1 0 334.876 4.163 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1c(C#N)cnc2ccccc21)c1ccco1 ZINC000301332945 1055923623 /nfs/dbraw/zinc/92/36/23/1055923623.db2.gz BWSPHRFDHRSDAY-SFHVURJKSA-N 1 0 334.423 4.194 20 30 EIEDRO CCCC[NH+]1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301382479 1055929816 /nfs/dbraw/zinc/92/98/16/1055929816.db2.gz VELVOPWLTBXMFH-UHFFFAOYSA-N 1 0 325.378 4.253 20 30 EIEDRO C[N@@H+]1CCC[C@H](CNc2ccc(Cl)c(C#N)n2)[C@H]1c1cccs1 ZINC000301399961 1055931654 /nfs/dbraw/zinc/93/16/54/1055931654.db2.gz BKDXCVPGLWLSCE-PXAZEXFGSA-N 1 0 346.887 4.163 20 30 EIEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000301455415 1055938249 /nfs/dbraw/zinc/93/82/49/1055938249.db2.gz YRWYFDYHFZEDDO-KSSFIOAISA-N 1 0 329.444 4.254 20 30 EIEDRO N#Cc1cc(Br)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000302074117 1056014990 /nfs/dbraw/zinc/01/49/90/1056014990.db2.gz IACBKLODDYQLTA-UHFFFAOYSA-N 1 0 348.288 4.140 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccccc1 ZINC000302209012 1056030203 /nfs/dbraw/zinc/03/02/03/1056030203.db2.gz LNEASFDQEQMNDG-AWEZNQCLSA-N 1 0 338.411 4.008 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000921703654 1056042865 /nfs/dbraw/zinc/04/28/65/1056042865.db2.gz YUWAQGYGORRILE-UHFFFAOYSA-N 1 0 337.467 4.004 20 30 EIEDRO Cc1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nc1C#N ZINC000302682287 1056063407 /nfs/dbraw/zinc/06/34/07/1056063407.db2.gz XGQMQSCSJHWYIE-MRXNPFEDSA-N 1 0 334.467 4.106 20 30 EIEDRO C[C@H]([NH2+]Cc1cnn(-c2cccc(Cl)c2)c1)c1ccc(C#N)s1 ZINC000360055792 1056178696 /nfs/dbraw/zinc/17/86/96/1056178696.db2.gz HNYFYDYCLHCXOX-LBPRGKRZSA-N 1 0 342.855 4.310 20 30 EIEDRO Cc1oc(NC(=O)C[N@@H+](C(C)C)[C@@H](C)c2ccccc2)c(C#N)c1C ZINC000428841267 1056388898 /nfs/dbraw/zinc/38/88/98/1056388898.db2.gz PRRKFKNCGXIQOG-HNNXBMFYSA-N 1 0 339.439 4.178 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000073618804 1056586173 /nfs/dbraw/zinc/58/61/73/1056586173.db2.gz GTGJBZDWRKLAFK-RYUDHWBXSA-N 1 0 345.830 4.099 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1F ZINC000305815008 1056625814 /nfs/dbraw/zinc/62/58/14/1056625814.db2.gz LPVVWCKYLOIOBP-KXBFYZLASA-N 1 0 340.442 4.150 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc(Cl)cs2)cc(OC)c1OC ZINC000785456512 1056721023 /nfs/dbraw/zinc/72/10/23/1056721023.db2.gz VWWWZJZYQWMXRQ-UHFFFAOYSA-N 1 0 337.872 4.437 20 30 EIEDRO N#CCN1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000619611086 1056750176 /nfs/dbraw/zinc/75/01/76/1056750176.db2.gz FPGJDNNFWIRRIC-LJQANCHMSA-N 1 0 331.891 4.149 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1ccc(Cl)c(C#N)n1)c1ccccc1 ZINC000111218231 1056773998 /nfs/dbraw/zinc/77/39/98/1056773998.db2.gz CCAIBJBAASFLMZ-QGZVFWFLSA-N 1 0 328.847 4.102 20 30 EIEDRO C#CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000742385028 1058587157 /nfs/dbraw/zinc/58/71/57/1058587157.db2.gz FXINXVADCIDVMS-UHFFFAOYSA-N 1 0 335.476 4.163 20 30 EIEDRO COc1ccc(C[NH2+]Cc2c(C)cccc2F)cc1OCCCC#N ZINC000742380001 1058604926 /nfs/dbraw/zinc/60/49/26/1058604926.db2.gz DSSMBYIPKQMKQU-UHFFFAOYSA-N 1 0 342.414 4.115 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2)cc1 ZINC000742379546 1058605404 /nfs/dbraw/zinc/60/54/04/1058605404.db2.gz DKWPDQBOAGEAFK-OAQYLSRUSA-N 1 0 348.490 4.156 20 30 EIEDRO CCO[C@@H]1C[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2O)C12CCCC2 ZINC000743043797 1058847815 /nfs/dbraw/zinc/84/78/15/1058847815.db2.gz ADTWWYLHFFOTGY-KASXZYKHSA-N 1 0 344.499 4.395 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)C2CCCCC2)cc1 ZINC000743481612 1059013988 /nfs/dbraw/zinc/01/39/88/1059013988.db2.gz PRQXCZPNWDVWMW-ROUUACIJSA-N 1 0 341.499 4.189 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=S)Nc1cc(C)ccc1F)C(C)C ZINC000743566052 1059045679 /nfs/dbraw/zinc/04/56/79/1059045679.db2.gz NPIFWDGCWPGTLH-GOSISDBHSA-N 1 0 349.519 4.119 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000744211501 1059329965 /nfs/dbraw/zinc/32/99/65/1059329965.db2.gz URQATGCHMBKGAB-IBGZPJMESA-N 1 0 349.396 4.470 20 30 EIEDRO NC(=[NH+]OCc1ccc(Cl)s1)c1ccc(N2CCCCC2)cc1 ZINC000744446175 1059516567 /nfs/dbraw/zinc/51/65/67/1059516567.db2.gz RBEDYAGIUPCAAX-UHFFFAOYSA-N 1 0 349.887 4.229 20 30 EIEDRO C#CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000829794388 1059749463 /nfs/dbraw/zinc/74/94/63/1059749463.db2.gz XDQLNZSCOXMFTK-ZDUSSCGKSA-N 1 0 339.266 4.057 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]CCc1c[nH]c2cc(Cl)ccc12 ZINC000745175426 1059778014 /nfs/dbraw/zinc/77/80/14/1059778014.db2.gz DXWOYJCLJXHKGL-UHFFFAOYSA-N 1 0 338.838 4.166 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)c(Br)c1 ZINC001168792604 1060350784 /nfs/dbraw/zinc/35/07/84/1060350784.db2.gz DZQBIMOROHYOGX-NSHDSACASA-N 1 0 325.250 4.048 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)C1CCCCCC1)C(=O)N(CCC#N)c1ccccc1 ZINC001169135090 1060654277 /nfs/dbraw/zinc/65/42/77/1060654277.db2.gz CAZADBGPXWBRKV-QZTJIDSGSA-N 1 0 341.499 4.270 20 30 EIEDRO CC1(C)C[C@@H](Nc2nc3ccccc3cc2CC#N)C[C@@](C)(C[NH3+])C1 ZINC001169139553 1060656118 /nfs/dbraw/zinc/65/61/18/1060656118.db2.gz BWPQSHHOXLOABE-DYESRHJHSA-N 1 0 336.483 4.256 20 30 EIEDRO CC1(C)C[C@H](Nc2cc(Cl)nc3[nH]cc(C#N)c32)C[C@](C)(C[NH3+])C1 ZINC001169145111 1060663935 /nfs/dbraw/zinc/66/39/35/1060663935.db2.gz SAOFSWLXCWBYDT-SGTLLEGYSA-N 1 0 345.878 4.044 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@H]1C ZINC001169285772 1060744615 /nfs/dbraw/zinc/74/46/15/1060744615.db2.gz XVFWPEGEAVKZJK-DYVFJYSZSA-N 1 0 333.863 4.051 20 30 EIEDRO CC[NH+]1CCC(N(C2=CC(=O)CCC2)[C@H](C)c2ccccc2)CC1 ZINC001169268673 1060753553 /nfs/dbraw/zinc/75/35/53/1060753553.db2.gz NTTDHYCXPWLCKS-QGZVFWFLSA-N 1 0 326.484 4.171 20 30 EIEDRO C[NH+](C)/C=C/c1ccncc1N[C@@](C)(C#N)c1ccccc1Cl ZINC001169391221 1060805634 /nfs/dbraw/zinc/80/56/34/1060805634.db2.gz UOYJUZBABOTWEW-CKDFRHGISA-N 1 0 326.831 4.118 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncc(C(F)(F)F)cc1C#N ZINC001169685552 1060898568 /nfs/dbraw/zinc/89/85/68/1060898568.db2.gz QZBMOMQKTLOTDC-HNNXBMFYSA-N 1 0 346.356 4.212 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(C)c(C#N)c([N+](=O)[O-])c1 ZINC001169689089 1060900098 /nfs/dbraw/zinc/90/00/98/1060900098.db2.gz FBJYVLQCEAUFLV-KRWDZBQOSA-N 1 0 336.395 4.015 20 30 EIEDRO C#C[C@@](C)(CC)Nc1ccc([C@H](CC[NH+](C)C)c2ccccn2)cc1 ZINC001169701822 1060911138 /nfs/dbraw/zinc/91/11/38/1060911138.db2.gz UWVPXQIICRLKQT-UNMCSNQZSA-N 1 0 335.495 4.379 20 30 EIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000766894236 1061056744 /nfs/dbraw/zinc/05/67/44/1061056744.db2.gz AYZXEPSZHAHAMO-UHFFFAOYSA-N 1 0 345.446 4.428 20 30 EIEDRO FC(F)C(F)(F)COCC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451294241 1030380221 /nfs/dbraw/zinc/38/02/21/1030380221.db2.gz HARVYJRDIILMIY-UWVGGRQHSA-N 1 0 339.295 4.004 20 30 EIEDRO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCCC1 ZINC000449933461 1032136546 /nfs/dbraw/zinc/13/65/46/1032136546.db2.gz BHAPTQNTQYIRRG-WMZOPIPTSA-N 1 0 346.540 4.384 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)cc1OCCCC#N ZINC000237151646 1032223135 /nfs/dbraw/zinc/22/31/35/1032223135.db2.gz YLGPBTYDAKHQEL-XYJFISCASA-N 1 0 330.472 4.292 20 30 EIEDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)cc1OCCCC#N ZINC000237185765 1032225900 /nfs/dbraw/zinc/22/59/00/1032225900.db2.gz UWGUYDDGXAXLCQ-IAGOWNOFSA-N 1 0 330.472 4.294 20 30 EIEDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)cc1OCCCC#N ZINC000237203731 1032226479 /nfs/dbraw/zinc/22/64/79/1032226479.db2.gz UWGUYDDGXAXLCQ-SJORKVTESA-N 1 0 330.472 4.294 20 30 EIEDRO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1CCCCC1 ZINC000195673999 1032226713 /nfs/dbraw/zinc/22/67/13/1032226713.db2.gz JHKOXFWSQZBIHC-UHFFFAOYSA-N 1 0 337.467 4.250 20 30 EIEDRO COc1ccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)cc1OCCCC#N ZINC000237324436 1032226867 /nfs/dbraw/zinc/22/68/67/1032226867.db2.gz HGTNMVNTHAYLHE-HZPDHXFCSA-N 1 0 330.472 4.292 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1 ZINC000245501513 1032277291 /nfs/dbraw/zinc/27/72/91/1032277291.db2.gz CXLZJIOYZNMLGL-UWJYYQICSA-N 1 0 335.451 4.490 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475701958 1032300587 /nfs/dbraw/zinc/30/05/87/1032300587.db2.gz NGBDSEQMIQDBFM-KGLIPLIRSA-N 1 0 332.419 4.036 20 30 EIEDRO CCC[N@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1ccc(C#N)cc1 ZINC000508625988 1032345439 /nfs/dbraw/zinc/34/54/39/1032345439.db2.gz SOEQTFIMRBZQIW-UHFFFAOYSA-N 1 0 348.425 4.500 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(C)cc1 ZINC000532901817 1032390647 /nfs/dbraw/zinc/39/06/47/1032390647.db2.gz HTDCAJFFMYXGMP-UHFFFAOYSA-N 1 0 335.451 4.108 20 30 EIEDRO C[C@H]([N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(C)C ZINC000532927943 1032394695 /nfs/dbraw/zinc/39/46/95/1032394695.db2.gz DRHUCKMMNLTASP-ZDUSSCGKSA-N 1 0 347.528 4.194 20 30 EIEDRO N#Cc1ccc(CNc2ccc(CC[NH+]3CCCCC3)cc2)c(F)c1 ZINC000532990045 1032439472 /nfs/dbraw/zinc/43/94/72/1032439472.db2.gz OGFYVOIMFVXVDQ-UHFFFAOYSA-N 1 0 337.442 4.338 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)cc1 ZINC000450352162 1032450481 /nfs/dbraw/zinc/45/04/81/1032450481.db2.gz BBSUBXXVFMEBBL-MRXNPFEDSA-N 1 0 334.410 4.227 20 30 EIEDRO C=CCC1(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000450479927 1032522951 /nfs/dbraw/zinc/52/29/51/1032522951.db2.gz RTVJCQDKLXSACN-QUCCMNQESA-N 1 0 340.511 4.150 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Br)cc1 ZINC000079881811 1032541050 /nfs/dbraw/zinc/54/10/50/1032541050.db2.gz FLYDJISSESOAEI-UHFFFAOYSA-N 1 0 347.231 4.485 20 30 EIEDRO C=CC1CCN([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000533287318 1032596215 /nfs/dbraw/zinc/59/62/15/1032596215.db2.gz XMEVWWBEXLZGEF-NSHDSACASA-N 1 0 327.255 4.218 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180892730 1032626897 /nfs/dbraw/zinc/62/68/97/1032626897.db2.gz PEPYSTLGIHMBPL-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000512427856 1032746112 /nfs/dbraw/zinc/74/61/12/1032746112.db2.gz NSKLLILUAIZZTG-CRAIPNDOSA-N 1 0 339.401 4.072 20 30 EIEDRO C=C1CCN([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000533419599 1032747197 /nfs/dbraw/zinc/74/71/97/1032747197.db2.gz JIZBNCOTJXVKAT-QGZVFWFLSA-N 1 0 336.435 4.458 20 30 EIEDRO C=CCC1(CNC(=O)Nc2ccccc2CC[NH+](C)C)CCCC1 ZINC000455237538 1032765540 /nfs/dbraw/zinc/76/55/40/1032765540.db2.gz ZWXKKWYIDZVICN-UHFFFAOYSA-N 1 0 329.488 4.049 20 30 EIEDRO COc1ccc(C#N)cc1CNC(C)(C)c1cccc(Cl)c1F ZINC000186882412 1018863833 /nfs/dbraw/zinc/86/38/33/1018863833.db2.gz AIBXFDGXJVYXOA-UHFFFAOYSA-N 1 0 332.806 4.384 20 30 EIEDRO COc1ccc(C[NH2+]C[C@@H]2CCCC2(C)C)cc1OCCCC#N ZINC000339573296 1019420785 /nfs/dbraw/zinc/42/07/85/1019420785.db2.gz ATBSPLVBKAYHOD-KRWDZBQOSA-N 1 0 330.472 4.294 20 30 EIEDRO C=CCOC(=O)N1CCCC2(CC[NH+](CCC3CCCC3)CC2)C1 ZINC001208690713 1019604749 /nfs/dbraw/zinc/60/47/49/1019604749.db2.gz SVEDOKKVLPXBEK-UHFFFAOYSA-N 1 0 334.504 4.067 20 30 EIEDRO C=C(C)[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc(F)c(F)c1 ZINC000274805230 1019645769 /nfs/dbraw/zinc/64/57/69/1019645769.db2.gz WNDRTSWFFYVWON-FQEVSTJZSA-N 1 0 343.421 4.236 20 30 EIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cccc(C#N)c1F ZINC001167094022 1019903358 /nfs/dbraw/zinc/90/33/58/1019903358.db2.gz ARUYJXWRSDEZAC-UHFFFAOYSA-N 1 0 332.806 4.252 20 30 EIEDRO C=CCCC[NH+]1CCC2(Cc3cc(Br)ccc3O2)CC1 ZINC001209164285 1020074610 /nfs/dbraw/zinc/07/46/10/1020074610.db2.gz WNWBTCKORKKLDX-UHFFFAOYSA-N 1 0 336.273 4.185 20 30 EIEDRO Cc1cccc(C)c1OCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237656882 1032876492 /nfs/dbraw/zinc/87/64/92/1032876492.db2.gz RKOQLUHJOFYYGG-UHFFFAOYSA-N 1 0 338.451 4.155 20 30 EIEDRO C=C[C@H](CC(=O)NCc1ccnc(N2CCCCC2)c1)c1ccccc1 ZINC000155171153 1020311765 /nfs/dbraw/zinc/31/17/65/1020311765.db2.gz SVGZGSIBRAGWFI-LJQANCHMSA-N 1 0 349.478 4.048 20 30 EIEDRO C=CCCCCC[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001209432891 1020327976 /nfs/dbraw/zinc/32/79/76/1020327976.db2.gz LZNNTYSJGLMEBX-CQSZACIVSA-N 1 0 343.393 4.085 20 30 EIEDRO C=CCCCCCCC[N@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001209442138 1020350821 /nfs/dbraw/zinc/35/08/21/1020350821.db2.gz UJCFUFAZRRQSNE-HXUWFJFHSA-N 1 0 345.531 4.268 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000043303458 1020365072 /nfs/dbraw/zinc/36/50/72/1020365072.db2.gz HYZFPCOFEAJVLT-HZPDHXFCSA-N 1 0 343.430 4.389 20 30 EIEDRO Cc1cc(C)[nH+]c(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC001167152555 1020403573 /nfs/dbraw/zinc/40/35/73/1020403573.db2.gz ZOFFHXLKPZAXQT-UHFFFAOYSA-N 1 0 341.842 4.271 20 30 EIEDRO CCN(CCC#N)C(=O)C[NH+](CC1CCCCC1)CC1CCCCC1 ZINC001167158693 1020433631 /nfs/dbraw/zinc/43/36/31/1020433631.db2.gz WLMBQDTZOJVTIM-UHFFFAOYSA-N 1 0 347.547 4.211 20 30 EIEDRO COc1ccc(C[NH+]2CCC(OC3CCC(C)CC3)CC2)cc1C#N ZINC000340144029 1020466457 /nfs/dbraw/zinc/46/64/57/1020466457.db2.gz OUTOCIPESRDNLR-UHFFFAOYSA-N 1 0 342.483 4.127 20 30 EIEDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000430372709 1020512340 /nfs/dbraw/zinc/51/23/40/1020512340.db2.gz SIATZAGOBWQPSH-GOSISDBHSA-N 1 0 341.842 4.233 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(F)cc3)CCCCC2)n1 ZINC000579896137 1020539603 /nfs/dbraw/zinc/53/96/03/1020539603.db2.gz FVDGKDHUROCSJK-UHFFFAOYSA-N 1 0 329.444 4.146 20 30 EIEDRO CC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000510242544 1020574811 /nfs/dbraw/zinc/57/48/11/1020574811.db2.gz MNMHPOPPDVAVSB-SFHVURJKSA-N 1 0 343.854 4.450 20 30 EIEDRO C=CC[C@@H]1N(C(=O)c2ccc(C[NH+](CC)CC)o2)CCCC1(C)C ZINC000683457786 1020853582 /nfs/dbraw/zinc/85/35/82/1020853582.db2.gz LNMZXHLCXYLXAA-SFHVURJKSA-N 1 0 332.488 4.328 20 30 EIEDRO N#Cc1cnc2ccccc2c1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610275387 1020869770 /nfs/dbraw/zinc/86/97/70/1020869770.db2.gz DCSMRLJBCOITDD-UHFFFAOYSA-N 1 0 348.494 4.199 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CSCc3ccccc32)c1 ZINC000608861110 1020896218 /nfs/dbraw/zinc/89/62/18/1020896218.db2.gz TXUGTPWJLJAHMQ-FQEVSTJZSA-N 1 0 338.476 4.447 20 30 EIEDRO N#CC1(CCC[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CCOCC1 ZINC000375612962 1020930148 /nfs/dbraw/zinc/93/01/48/1020930148.db2.gz PFYMDJDHEPAPOG-SFHVURJKSA-N 1 0 334.410 4.202 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cnn1-c1ccc(F)cc1 ZINC000176957674 1020940065 /nfs/dbraw/zinc/94/00/65/1020940065.db2.gz GBSJPHBONMXSSM-GFCCVEGCSA-N 1 0 340.427 4.104 20 30 EIEDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340438666 1021024502 /nfs/dbraw/zinc/02/45/02/1021024502.db2.gz AFIXGVPJZKKKJF-GHTZIAJQSA-N 1 0 349.478 4.453 20 30 EIEDRO O[C@@H](C[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1)c1cccs1 ZINC000175837477 1021129374 /nfs/dbraw/zinc/12/93/74/1021129374.db2.gz QPJFKYLJZSSELL-MSOLQXFVSA-N 1 0 345.895 4.341 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000548944710 1021179185 /nfs/dbraw/zinc/17/91/85/1021179185.db2.gz IALAABIYODXFBV-QFBILLFUSA-N 1 0 343.515 4.031 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-c3cccnc3)c1)CC2 ZINC000579179433 1021245901 /nfs/dbraw/zinc/24/59/01/1021245901.db2.gz ULUQWHJYPABKFC-QFIPXVFZSA-N 1 0 325.415 4.397 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[N@H+](CCc2ccccc2)C2CCCC2)c1 ZINC001167337347 1021255140 /nfs/dbraw/zinc/25/51/40/1021255140.db2.gz NRWHGQKWAVUCOF-QFIPXVFZSA-N 1 0 334.463 4.079 20 30 EIEDRO CCc1ccccc1NN=C(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000748133071 1021304939 /nfs/dbraw/zinc/30/49/39/1021304939.db2.gz JNRQPYTYFZADSU-UHFFFAOYSA-N 1 0 325.456 4.026 20 30 EIEDRO CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000610343576 1021338633 /nfs/dbraw/zinc/33/86/33/1021338633.db2.gz LSUFASZRMYZISG-WWMYMODYSA-N 1 0 349.478 4.255 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000610343477 1021339609 /nfs/dbraw/zinc/33/96/09/1021339609.db2.gz IRNNCZMASILOCU-RYUDHWBXSA-N 1 0 345.805 4.029 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000610345124 1021342243 /nfs/dbraw/zinc/34/22/43/1021342243.db2.gz SPHYLPYCOFRBRD-INIZCTEOSA-N 1 0 336.435 4.373 20 30 EIEDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000610343911 1021342879 /nfs/dbraw/zinc/34/28/79/1021342879.db2.gz WHXOEZFVXUJBFK-KGLIPLIRSA-N 1 0 341.842 4.198 20 30 EIEDRO Cc1c(C[NH+]2CCSCC2)cccc1N[C@@H](C)CC(C)(C)C#N ZINC000926077928 1021398308 /nfs/dbraw/zinc/39/83/08/1021398308.db2.gz SERCCCJXVABOCZ-HNNXBMFYSA-N 1 0 331.529 4.284 20 30 EIEDRO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1ccccc1 ZINC000180033571 1021414610 /nfs/dbraw/zinc/41/46/10/1021414610.db2.gz BQFLYLYTZRGSST-GOSISDBHSA-N 1 0 344.462 4.242 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@H+](CCCCC(C)(C)C#N)C[C@@H]21 ZINC000376095927 1021430909 /nfs/dbraw/zinc/43/09/09/1021430909.db2.gz JYOLIHMRLJDRKM-IRXDYDNUSA-N 1 0 349.519 4.038 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@H+](CCCCC(C)(C)C#N)C[C@@H]21 ZINC000376095930 1021431855 /nfs/dbraw/zinc/43/18/55/1021431855.db2.gz JYOLIHMRLJDRKM-SJORKVTESA-N 1 0 349.519 4.038 20 30 EIEDRO COc1cc(C[NH2+]Cc2cc(C#N)cs2)ccc1OCCC(C)C ZINC000177685775 1021444932 /nfs/dbraw/zinc/44/49/32/1021444932.db2.gz FWCAHXKQJWZARW-UHFFFAOYSA-N 1 0 344.480 4.343 20 30 EIEDRO N#Cc1csc(C[NH2+]CCOc2ccccc2-c2ccccc2)c1 ZINC000177691263 1021452558 /nfs/dbraw/zinc/45/25/58/1021452558.db2.gz CWYGSWUMFYMCDO-UHFFFAOYSA-N 1 0 334.444 4.455 20 30 EIEDRO CC[C@H](C)[C@@H](C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC001167355939 1021670839 /nfs/dbraw/zinc/67/08/39/1021670839.db2.gz FHFDBTCOBSLRMC-UONOGXRCSA-N 1 0 347.890 4.439 20 30 EIEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001167386759 1021927890 /nfs/dbraw/zinc/92/78/90/1021927890.db2.gz IZSGYJZBMREGPB-KRWDZBQOSA-N 1 0 325.427 4.139 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(Br)cc1)CC2 ZINC000580381761 1021943164 /nfs/dbraw/zinc/94/31/64/1021943164.db2.gz VEGQUDJPUBJQKH-GOSISDBHSA-N 1 0 341.252 4.140 20 30 EIEDRO CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000582413385 1021952059 /nfs/dbraw/zinc/95/20/59/1021952059.db2.gz UZTQXYXFNXHJGK-UHFFFAOYSA-N 1 0 334.341 4.266 20 30 EIEDRO C=CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC1CCCCC1 ZINC001167390907 1021957016 /nfs/dbraw/zinc/95/70/16/1021957016.db2.gz BZGZVMYKFFDZCW-GOSISDBHSA-N 1 0 336.520 4.312 20 30 EIEDRO C=C(C)CC[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001167392300 1021969075 /nfs/dbraw/zinc/96/90/75/1021969075.db2.gz SHQKYKAXFMIHHZ-HNNXBMFYSA-N 1 0 337.305 4.094 20 30 EIEDRO C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613428936 1022008355 /nfs/dbraw/zinc/00/83/55/1022008355.db2.gz AUZGFQBSCSLLCB-RDJZCZTQSA-N 1 0 340.515 4.316 20 30 EIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000540173612 1022135265 /nfs/dbraw/zinc/13/52/65/1022135265.db2.gz GKUDJCJGBUJRDI-VXGBXAGGSA-N 1 0 342.277 4.157 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccccc1C#N ZINC000170647095 1022143788 /nfs/dbraw/zinc/14/37/88/1022143788.db2.gz PLQJDJSQADOHAU-UHFFFAOYSA-N 1 0 331.419 4.278 20 30 EIEDRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000537161211 1022202323 /nfs/dbraw/zinc/20/23/23/1022202323.db2.gz BHJRQDPOIIZXDD-ZIAGYGMSSA-N 1 0 347.528 4.241 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)N(C)C ZINC000471592040 1022203790 /nfs/dbraw/zinc/20/37/90/1022203790.db2.gz BLFXGUUVQANZKU-MDOVXXIYSA-N 1 0 325.431 4.039 20 30 EIEDRO CC(C)Cc1ccc([C@H](C[NH2+]CC(C)(C)CCC#N)N(C)C)cc1 ZINC000580563574 1022216083 /nfs/dbraw/zinc/21/60/83/1022216083.db2.gz AHHRTZTWZRFCAI-FQEVSTJZSA-N 1 0 329.532 4.407 20 30 EIEDRO C=CC[C@@H]1N(C(=O)Nc2cccc(C[NH2+]CC)c2)CCCC1(C)C ZINC000415918542 1022236307 /nfs/dbraw/zinc/23/63/07/1022236307.db2.gz LIQHMMBEUVTHQG-SFHVURJKSA-N 1 0 329.488 4.395 20 30 EIEDRO C=C1CC[NH2+]C[C@H]1Oc1c(Br)ccc(Cl)c1Cl ZINC001218210375 1022317769 /nfs/dbraw/zinc/31/77/69/1022317769.db2.gz AXCHHCMBDYXDDW-SNVBAGLBSA-N 1 0 337.044 4.053 20 30 EIEDRO FC1(F)[C@@H]2C[NH+]([C@@H]3C=CCCC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000932944587 1022364109 /nfs/dbraw/zinc/36/41/09/1022364109.db2.gz XWZSIYNRNICMPG-OPRDCNLKSA-N 1 0 349.265 4.198 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000471610384 1022384206 /nfs/dbraw/zinc/38/42/06/1022384206.db2.gz GENPWAMPMULJCS-YJBOKZPZSA-N 1 0 340.417 4.400 20 30 EIEDRO Cc1ccccc1C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000170953657 1022465891 /nfs/dbraw/zinc/46/58/91/1022465891.db2.gz MGRDRSPEAUXBQO-UHFFFAOYSA-N 1 0 347.462 4.075 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000160622105 1022470428 /nfs/dbraw/zinc/47/04/28/1022470428.db2.gz JQYPPMHAZAZVTM-AWEZNQCLSA-N 1 0 346.377 4.211 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000180303763 1022509584 /nfs/dbraw/zinc/50/95/84/1022509584.db2.gz RKHKUYMDWWWJHJ-LEWJYISDSA-N 1 0 338.426 4.252 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1ccc(C#N)cc1 ZINC000290196770 1022553224 /nfs/dbraw/zinc/55/32/24/1022553224.db2.gz STMRNXXAFIWJQP-IIBYNOLFSA-N 1 0 332.447 4.303 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000378245800 1022570135 /nfs/dbraw/zinc/57/01/35/1022570135.db2.gz DWDSTNLLPABVDM-OALUTQOASA-N 1 0 349.478 4.156 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc(C#N)cs3)cc2)C1 ZINC000084084059 1022659354 /nfs/dbraw/zinc/65/93/54/1022659354.db2.gz VGURGVIEMFQGOL-AWEZNQCLSA-N 1 0 339.464 4.104 20 30 EIEDRO C[C@@H](NCc1ccc(C#N)cc1F)c1ccccc1OC(F)(F)F ZINC000177856699 1022701649 /nfs/dbraw/zinc/70/16/49/1022701649.db2.gz LQMWHIGBGDBVLX-LLVKDONJSA-N 1 0 338.304 4.447 20 30 EIEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001167439514 1022721175 /nfs/dbraw/zinc/72/11/75/1022721175.db2.gz YOZCCVLLWUQCPM-HACGYAERSA-N 1 0 333.273 4.474 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)c1ccc(OCC#N)cc1 ZINC000181843568 1022728660 /nfs/dbraw/zinc/72/86/60/1022728660.db2.gz ARKGIFWEQPUPOJ-IAGOWNOFSA-N 1 0 346.434 4.186 20 30 EIEDRO C=CCC[C@H](NC(=O)N1CC[C@@H](C[NH+](CC)CC)C1)c1ccccc1 ZINC000893766629 1033080492 /nfs/dbraw/zinc/08/04/92/1033080492.db2.gz CNJPDKBEBCDWCS-ICSRJNTNSA-N 1 0 343.515 4.067 20 30 EIEDRO C=CCC[C@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccccc1 ZINC000893766955 1033083711 /nfs/dbraw/zinc/08/37/11/1033083711.db2.gz FRTCROBQUUBPLP-FQEVSTJZSA-N 1 0 341.499 4.010 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(Cl)s3)CC2)cc1 ZINC000181598263 1022830492 /nfs/dbraw/zinc/83/04/92/1022830492.db2.gz GTBXJNPESKMGEQ-UHFFFAOYSA-N 1 0 345.899 4.027 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)c(C#N)c1C ZINC000126201234 1022850429 /nfs/dbraw/zinc/85/04/29/1022850429.db2.gz BFVSALASFWSSAK-VXGBXAGGSA-N 1 0 345.830 4.099 20 30 EIEDRO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC000156839622 1022855329 /nfs/dbraw/zinc/85/53/29/1022855329.db2.gz RHQQSYSTSBODQX-KRWDZBQOSA-N 1 0 337.467 4.066 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180903948 1022857697 /nfs/dbraw/zinc/85/76/97/1022857697.db2.gz BGOMGWPATGGHGR-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000365803279 1022881308 /nfs/dbraw/zinc/88/13/08/1022881308.db2.gz BADWVPLRQGRNPQ-BBRMVZONSA-N 1 0 325.437 4.025 20 30 EIEDRO C#CCCOc1ccc(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000236686031 1022901735 /nfs/dbraw/zinc/90/17/35/1022901735.db2.gz FEDLRZHTVLJZOW-QHCPKHFHSA-N 1 0 348.490 4.015 20 30 EIEDRO N#Cc1ccc(CN(Cc2cccnc2)Cc2cccc(F)c2)cc1 ZINC000157807931 1022907755 /nfs/dbraw/zinc/90/77/55/1022907755.db2.gz YLEUISOVNVFVAU-UHFFFAOYSA-N 1 0 331.394 4.295 20 30 EIEDRO C[NH+](C)[C@@H](CC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000431895467 1022948120 /nfs/dbraw/zinc/94/81/20/1022948120.db2.gz CDSJLVCDLBWUSH-IBGZPJMESA-N 1 0 335.451 4.119 20 30 EIEDRO Cn1cc(CC[NH2+]Cc2cc(C#N)cs2)c2ccc(Cl)cc21 ZINC000189530452 1023061820 /nfs/dbraw/zinc/06/18/20/1023061820.db2.gz YQWJHUMAOFYFRI-UHFFFAOYSA-N 1 0 329.856 4.097 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cc(Cl)cc2c1OCC2 ZINC000933275259 1023181543 /nfs/dbraw/zinc/18/15/43/1023181543.db2.gz NHHDTYIBVGOKBE-NSHDSACASA-N 1 0 330.790 4.136 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167461969 1023212855 /nfs/dbraw/zinc/21/28/55/1023212855.db2.gz XBYNRGCBRVMYMJ-AWEZNQCLSA-N 1 0 333.863 4.217 20 30 EIEDRO COc1ccccc1CCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001167464067 1023234255 /nfs/dbraw/zinc/23/42/55/1023234255.db2.gz FKUPGXZBVIUVIN-LEWJYISDSA-N 1 0 334.463 4.400 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000537983678 1023273182 /nfs/dbraw/zinc/27/31/82/1023273182.db2.gz UVSJZPJSSULBGM-LJQANCHMSA-N 1 0 345.364 4.343 20 30 EIEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417368972 1023292818 /nfs/dbraw/zinc/29/28/18/1023292818.db2.gz QUDFBVTYNYNLCL-KUHUBIRLSA-N 1 0 335.407 4.065 20 30 EIEDRO C[C@@H](CC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C)n1ccnc1 ZINC000584783272 1023314591 /nfs/dbraw/zinc/31/45/91/1023314591.db2.gz AAVRQQSKBJLDPX-AVGNSLFASA-N 1 0 342.468 4.092 20 30 EIEDRO C/C(=C/c1ccccc1OC(F)F)C[NH2+]Cc1cccc(C#N)c1 ZINC000584810885 1023337715 /nfs/dbraw/zinc/33/77/15/1023337715.db2.gz XWWPOWWHHBIWNI-ZROIWOOFSA-N 1 0 328.362 4.353 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1F ZINC000613618271 1023338661 /nfs/dbraw/zinc/33/86/61/1023338661.db2.gz CCIBNSAWLDUDEX-HUUCEWRRSA-N 1 0 326.415 4.235 20 30 EIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415004529 1023391848 /nfs/dbraw/zinc/39/18/48/1023391848.db2.gz OHGNKAGTTNKWNF-CYBMUJFWSA-N 1 0 338.411 4.009 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000341221250 1023398029 /nfs/dbraw/zinc/39/80/29/1023398029.db2.gz UIQQPBBFLOZUFA-YLJYHZDGSA-N 1 0 335.451 4.063 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)ccc1C#N ZINC000584878146 1023411906 /nfs/dbraw/zinc/41/19/06/1023411906.db2.gz IHCMRAAGKRLWIC-UHFFFAOYSA-N 1 0 335.451 4.263 20 30 EIEDRO CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000549174197 1023425466 /nfs/dbraw/zinc/42/54/66/1023425466.db2.gz RUEYKFOFDPGLSQ-IXDOHACOSA-N 1 0 349.478 4.037 20 30 EIEDRO C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000480752460 1023495430 /nfs/dbraw/zinc/49/54/30/1023495430.db2.gz YATVRIDYTHBPSG-HTAPYJJXSA-N 1 0 333.479 4.119 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000341278621 1023498652 /nfs/dbraw/zinc/49/86/52/1023498652.db2.gz FVXCKVYIDIVYSL-QGZVFWFLSA-N 1 0 347.890 4.066 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1Cl ZINC000418092402 1023525212 /nfs/dbraw/zinc/52/52/12/1023525212.db2.gz AENPSVFIPBBWAH-SFHVURJKSA-N 1 0 329.827 4.266 20 30 EIEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000276438831 1023537369 /nfs/dbraw/zinc/53/73/69/1023537369.db2.gz OIAZDGABZNXPOH-SNVBAGLBSA-N 1 0 334.769 4.194 20 30 EIEDRO C[C@H](NCc1ccc(Cl)cc1C#N)c1ccccc1-n1cccn1 ZINC000187427872 1023551456 /nfs/dbraw/zinc/55/14/56/1023551456.db2.gz FIBUMWXIOILDRW-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(C)c1OC ZINC000418143916 1023557936 /nfs/dbraw/zinc/55/79/36/1023557936.db2.gz JNGICLCCWFDHRO-LJQANCHMSA-N 1 0 336.435 4.051 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000418146468 1023565141 /nfs/dbraw/zinc/56/51/41/1023565141.db2.gz PMPXJMGMDMBLRZ-MRXNPFEDSA-N 1 0 337.423 4.474 20 30 EIEDRO COc1ccc2oc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cc2c1 ZINC000418148070 1023566442 /nfs/dbraw/zinc/56/64/42/1023566442.db2.gz SLPXRWFXPIYYNH-FQEVSTJZSA-N 1 0 332.403 4.480 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(OCC#N)cc1 ZINC000377580412 1023616077 /nfs/dbraw/zinc/61/60/77/1023616077.db2.gz LKVQBPZMMHUROA-MAODMQOUSA-N 1 0 336.435 4.160 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415577512 1023700808 /nfs/dbraw/zinc/70/08/08/1023700808.db2.gz HGIBYZRAGQUPHJ-OAHLLOKOSA-N 1 0 329.488 4.130 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415587855 1023708158 /nfs/dbraw/zinc/70/81/58/1023708158.db2.gz XDPAAKSNKMJRQL-MRXNPFEDSA-N 1 0 329.488 4.050 20 30 EIEDRO Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(CCC#N)CC3)n2)cc1F ZINC000564916165 1023744775 /nfs/dbraw/zinc/74/47/75/1023744775.db2.gz KKDZBKSTTMHRRK-CQSZACIVSA-N 1 0 342.418 4.261 20 30 EIEDRO CC(C)Oc1ccc(CC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000728712025 1023761530 /nfs/dbraw/zinc/76/15/30/1023761530.db2.gz URJMKCNCEGHLHI-QGZVFWFLSA-N 1 0 338.451 4.097 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cc3c(s2)CCCC3)cc1 ZINC000728711996 1023761762 /nfs/dbraw/zinc/76/17/62/1023761762.db2.gz RFMCUVXATWXQKZ-CQSZACIVSA-N 1 0 326.465 4.208 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)Cc2ccccc2Cl)cc1 ZINC000728712027 1023761818 /nfs/dbraw/zinc/76/18/18/1023761818.db2.gz SVOADTDGOOGWPD-GJZGRUSLSA-N 1 0 328.843 4.352 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1 ZINC000053722058 1023785565 /nfs/dbraw/zinc/78/55/65/1023785565.db2.gz MUUBBXVYAJGXEC-KRWDZBQOSA-N 1 0 347.462 4.379 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000187438735 1023786360 /nfs/dbraw/zinc/78/63/60/1023786360.db2.gz NNDIBVMJLDDOFX-YWZLYKJASA-N 1 0 340.854 4.469 20 30 EIEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000375642400 1023802199 /nfs/dbraw/zinc/80/21/99/1023802199.db2.gz REJJJEKDXJOHFH-LPHOPBHVSA-N 1 0 331.419 4.022 20 30 EIEDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000341494898 1023810393 /nfs/dbraw/zinc/81/03/93/1023810393.db2.gz YNIBXHPATLEZOC-YTQUADARSA-N 1 0 342.483 4.388 20 30 EIEDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000341494886 1023810473 /nfs/dbraw/zinc/81/04/73/1023810473.db2.gz YNIBXHPATLEZOC-QXAKKESOSA-N 1 0 342.483 4.388 20 30 EIEDRO CCc1cccc2c(C3CC[NH+](Cc4ccc(C#N)cn4)CC3)c[nH]c21 ZINC000566805670 1023821436 /nfs/dbraw/zinc/82/14/36/1023821436.db2.gz SGEZBRIVGAYEOQ-UHFFFAOYSA-N 1 0 344.462 4.377 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000188174840 1023823065 /nfs/dbraw/zinc/82/30/65/1023823065.db2.gz UJIXCBSFXDFHTK-NHCUHLMSSA-N 1 0 340.511 4.213 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1ccc(C#N)c(F)c1 ZINC000471771113 1023823678 /nfs/dbraw/zinc/82/36/78/1023823678.db2.gz NBZQOVRXDORANW-GFCCVEGCSA-N 1 0 334.341 4.192 20 30 EIEDRO CCN(Cc1ccc(C#N)s1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000511667436 1023825722 /nfs/dbraw/zinc/82/57/22/1023825722.db2.gz OIUBGCLQOQPLDG-SJLPKXTDSA-N 1 0 339.508 4.277 20 30 EIEDRO CCCCCCCOc1cccc(CN[C@@H](C)c2ncnn2C)c1 ZINC000276690391 1023869784 /nfs/dbraw/zinc/86/97/84/1023869784.db2.gz MUDMXBBOAFIWFJ-INIZCTEOSA-N 1 0 330.476 4.015 20 30 EIEDRO CC(C)(C)C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000341589715 1023897225 /nfs/dbraw/zinc/89/72/25/1023897225.db2.gz GIACNMYNWWZNEN-MRXNPFEDSA-N 1 0 341.480 4.325 20 30 EIEDRO CC(C)C[N@H+](Cc1nc2cccnc2s1)Cc1ccc(C#N)cc1 ZINC000341622738 1023954876 /nfs/dbraw/zinc/95/48/76/1023954876.db2.gz VQRUALPHOKSDCC-UHFFFAOYSA-N 1 0 336.464 4.221 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000510519537 1023986542 /nfs/dbraw/zinc/98/65/42/1023986542.db2.gz UENIDDIQRWBZBL-UHFFFAOYSA-N 1 0 348.446 4.166 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]CC2(CC#N)CC2)cnn1-c1cccc(Cl)c1 ZINC000430759649 1024016675 /nfs/dbraw/zinc/01/66/75/1024016675.db2.gz HATUUDVBDCCZRG-CYBMUJFWSA-N 1 0 328.847 4.179 20 30 EIEDRO Cn1cc(C[N@H+](Cc2ccc(Cl)cc2)CC(C)(C)CCC#N)cn1 ZINC000430767962 1024022255 /nfs/dbraw/zinc/02/22/55/1024022255.db2.gz KEFXQNYPFFXDEO-UHFFFAOYSA-N 1 0 344.890 4.406 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000651790266 1024024695 /nfs/dbraw/zinc/02/46/95/1024024695.db2.gz POTRMAPGQAGGEF-DFULUXCASA-N 1 0 330.438 4.126 20 30 EIEDRO CO[C@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1Cl ZINC000124994878 1024043226 /nfs/dbraw/zinc/04/32/26/1024043226.db2.gz DHGQGGNGJBYMON-AUUYWEPGSA-N 1 0 344.842 4.108 20 30 EIEDRO C=CC[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000661378756 1024083234 /nfs/dbraw/zinc/08/32/34/1024083234.db2.gz LRYYELAYWVHQNE-QGZVFWFLSA-N 1 0 335.451 4.026 20 30 EIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccc(OC)cc1 ZINC000510634831 1024136659 /nfs/dbraw/zinc/13/66/59/1024136659.db2.gz ULBMWEUTIRGHEV-UHFFFAOYSA-N 1 0 339.464 4.335 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000430913784 1024220156 /nfs/dbraw/zinc/22/01/56/1024220156.db2.gz YDAYJYLCWIPMEG-GCJKJVERSA-N 1 0 334.463 4.343 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3CCCF)C2)c(F)c1 ZINC000510698216 1024247217 /nfs/dbraw/zinc/24/72/17/1024247217.db2.gz FNMJIARVYMFCIH-JENIJYKNSA-N 1 0 347.453 4.174 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nc2ccccc2[nH]1 ZINC000236738300 1024340443 /nfs/dbraw/zinc/34/04/43/1024340443.db2.gz AUZAWBQGYJKXTL-FOIQADDNSA-N 1 0 348.450 4.341 20 30 EIEDRO CCOc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)ccc1OC ZINC000341703231 1024355804 /nfs/dbraw/zinc/35/58/04/1024355804.db2.gz XRJHXRMYQSUTQG-LJQANCHMSA-N 1 0 336.435 4.133 20 30 EIEDRO Cc1nc2c(s1)[C@H]([N@H+](C)CCCOc1cccc(C#N)c1)CCC2 ZINC000127390062 1024424708 /nfs/dbraw/zinc/42/47/08/1024424708.db2.gz BBYVCORBFDCYAX-GOSISDBHSA-N 1 0 341.480 4.102 20 30 EIEDRO C=C(C)CC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000510763866 1024426968 /nfs/dbraw/zinc/42/69/68/1024426968.db2.gz OBQHPVUDHRNFSG-UHFFFAOYSA-N 1 0 329.362 4.147 20 30 EIEDRO C=C[C@H](CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1ccccc1 ZINC001126143350 1024489883 /nfs/dbraw/zinc/48/98/83/1024489883.db2.gz UTJFVBIPIHPCQF-OBXNSHGQSA-N 1 0 340.511 4.069 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cc(C(F)(F)F)c1 ZINC001143519272 1024671544 /nfs/dbraw/zinc/67/15/44/1024671544.db2.gz KNHPFGBLMKCRJE-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO CCN(Cc1cc(C)c(OCc2ccccn2)c(C)c1)C[C@@H](C)C#N ZINC000091982656 1024709204 /nfs/dbraw/zinc/70/92/04/1024709204.db2.gz KMRINRIFUXCETP-INIZCTEOSA-N 1 0 337.467 4.259 20 30 EIEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000341844897 1024818703 /nfs/dbraw/zinc/81/87/03/1024818703.db2.gz GJTMDYRIEHCUMN-QGZVFWFLSA-N 1 0 349.906 4.169 20 30 EIEDRO N#Cc1cccc(C[NH2+]CC2(c3cccc(Br)c3)CC2)c1 ZINC000236778113 1024991518 /nfs/dbraw/zinc/99/15/18/1024991518.db2.gz IQJPUGZXNBBACP-UHFFFAOYSA-N 1 0 341.252 4.142 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000610813026 1025032071 /nfs/dbraw/zinc/03/20/71/1025032071.db2.gz VNOACMXVHDWVFN-MRXNPFEDSA-N 1 0 326.271 4.022 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000602643817 1025123941 /nfs/dbraw/zinc/12/39/41/1025123941.db2.gz LIYLLYAWDZJART-GXTWGEPZSA-N 1 0 326.271 4.102 20 30 EIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000221939147 1025150522 /nfs/dbraw/zinc/15/05/22/1025150522.db2.gz YECFYCFZWONPQV-LLVKDONJSA-N 1 0 330.291 4.028 20 30 EIEDRO N#Cc1ccc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)c(F)c1 ZINC000610946851 1025152885 /nfs/dbraw/zinc/15/28/85/1025152885.db2.gz YNLXYDJXQRVISZ-OAQYLSRUSA-N 1 0 337.442 4.014 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1)c1cccc(C#N)c1 ZINC000549828587 1033266444 /nfs/dbraw/zinc/26/64/44/1033266444.db2.gz PFSVBZUAABTXAV-HUUCEWRRSA-N 1 0 334.398 4.295 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccccc2C(F)(F)F)cc1C#N ZINC000610991606 1025215654 /nfs/dbraw/zinc/21/56/54/1025215654.db2.gz SRIVPMPMUFQHNX-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO CC(C)[N@H+](Cc1cccc(Br)c1)Cc1ccnc(C#N)c1 ZINC000610991478 1025218759 /nfs/dbraw/zinc/21/87/59/1025218759.db2.gz LOAUNHVDCZGXIJ-UHFFFAOYSA-N 1 0 344.256 4.126 20 30 EIEDRO CCOC(=O)CCC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000610996891 1025238650 /nfs/dbraw/zinc/23/86/50/1025238650.db2.gz KFIAXCSDNSAICG-UHFFFAOYSA-N 1 0 342.483 4.043 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000511009607 1025457236 /nfs/dbraw/zinc/45/72/36/1025457236.db2.gz HBXOKOSBCJYWPC-XYPHTWIQSA-N 1 0 336.273 4.007 20 30 EIEDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000472038520 1025472549 /nfs/dbraw/zinc/47/25/49/1025472549.db2.gz PUWOYROJCXVWLB-ZWKOTPCHSA-N 1 0 326.465 4.093 20 30 EIEDRO CC[N@H+](Cc1cc(F)cc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001139873352 1033286351 /nfs/dbraw/zinc/28/63/51/1033286351.db2.gz LJQAVZGIUUHDQW-HNNXBMFYSA-N 1 0 326.415 4.159 20 30 EIEDRO Cc1cccc(C2([NH2+]Cc3ccc(C#N)cc3[N+](=O)[O-])CCCC2)c1 ZINC000569131225 1025585983 /nfs/dbraw/zinc/58/59/83/1025585983.db2.gz YJQWLTAULRHASU-UHFFFAOYSA-N 1 0 335.407 4.334 20 30 EIEDRO Cc1ccc(C[C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000119614374 1025586381 /nfs/dbraw/zinc/58/63/81/1025586381.db2.gz UJKMQKCEYYBIBX-OAHLLOKOSA-N 1 0 328.481 4.460 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000440068651 1025587333 /nfs/dbraw/zinc/58/73/33/1025587333.db2.gz DJZAYQQNIGGWQN-MBOZVWFJSA-N 1 0 330.903 4.029 20 30 EIEDRO C[C@H](c1c(F)cccc1F)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000519202249 1025598283 /nfs/dbraw/zinc/59/82/83/1025598283.db2.gz HZCMMOUDUNWDRV-CQSZACIVSA-N 1 0 342.389 4.441 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc1Cl ZINC000467763654 1025737501 /nfs/dbraw/zinc/73/75/01/1025737501.db2.gz JVTIMIBHPVPSEQ-ROUUACIJSA-N 1 0 345.874 4.375 20 30 EIEDRO CC(C)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000123516741 1025739992 /nfs/dbraw/zinc/73/99/92/1025739992.db2.gz MGVGOFCVHMSRFC-MRXNPFEDSA-N 1 0 345.512 4.141 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000278936456 1025788648 /nfs/dbraw/zinc/78/86/48/1025788648.db2.gz UCKOAQKVCMABST-UHFFFAOYSA-N 1 0 330.447 4.440 20 30 EIEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC(C)(C)CCC#N ZINC000342289500 1025792507 /nfs/dbraw/zinc/79/25/07/1025792507.db2.gz CIPZSJMMSXSFTP-UHFFFAOYSA-N 1 0 346.425 4.187 20 30 EIEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000585765120 1025826610 /nfs/dbraw/zinc/82/66/10/1025826610.db2.gz JFGMMACNLGWSIX-GZPVHCRCSA-N 1 0 332.447 4.336 20 30 EIEDRO Cc1cc(N2CCC(Oc3cccc(C#N)c3)CC2)c2ccccc2[nH+]1 ZINC000519491329 1025849324 /nfs/dbraw/zinc/84/93/24/1025849324.db2.gz NNWYXDGUBWILKA-UHFFFAOYSA-N 1 0 343.430 4.463 20 30 EIEDRO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H](O)c1ccc(C)cc1 ZINC001167516332 1025892170 /nfs/dbraw/zinc/89/21/70/1025892170.db2.gz DVJKDYJLALPBIL-LJQANCHMSA-N 1 0 328.843 4.076 20 30 EIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC001167540274 1025997526 /nfs/dbraw/zinc/99/75/26/1025997526.db2.gz YDEWVGKERTUBIR-OALUTQOASA-N 1 0 330.447 4.257 20 30 EIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000550075180 1026014287 /nfs/dbraw/zinc/01/42/87/1026014287.db2.gz QJCDMOLXTREBKO-OAHLLOKOSA-N 1 0 336.277 4.311 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CC[C@H](C#N)C2)ccc1OCc1ccccc1 ZINC000472142478 1026016001 /nfs/dbraw/zinc/01/60/01/1026016001.db2.gz PHOPOHSJHPSRIJ-HKUYNNGSSA-N 1 0 336.435 4.056 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1C(C)(C)C#N ZINC000512151616 1026156796 /nfs/dbraw/zinc/15/67/96/1026156796.db2.gz ZURJHRVERXVXLG-UHFFFAOYSA-N 1 0 338.451 4.151 20 30 EIEDRO CC[N@H+](Cc1cccc(OCCOC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000119853478 1026201042 /nfs/dbraw/zinc/20/10/42/1026201042.db2.gz YXYNMDWLGMPQDW-QGZVFWFLSA-N 1 0 338.451 4.167 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(-n2cccn2)cc1 ZINC000551565681 1026219775 /nfs/dbraw/zinc/21/97/75/1026219775.db2.gz FFJDIJYHFGIIRB-INIZCTEOSA-N 1 0 328.419 4.084 20 30 EIEDRO COC(=O)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1C ZINC000894607818 1026245212 /nfs/dbraw/zinc/24/52/12/1026245212.db2.gz YJTBYUPOEQYHPC-FQEVSTJZSA-N 1 0 336.435 4.306 20 30 EIEDRO C=CCCCCC[N@H+]1CCC[C@]2(CCCN(C(=O)NC(C)C)C2)C1 ZINC001279273486 1026252279 /nfs/dbraw/zinc/25/22/79/1026252279.db2.gz UMQZXCXAEAIBHT-FQEVSTJZSA-N 1 0 335.536 4.029 20 30 EIEDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000609499593 1026322390 /nfs/dbraw/zinc/32/23/90/1026322390.db2.gz TUYGTRZQQGILOL-UHFFFAOYSA-N 1 0 339.870 4.232 20 30 EIEDRO C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000512191580 1026334281 /nfs/dbraw/zinc/33/42/81/1026334281.db2.gz NGBWYBMETPPGDC-AWEZNQCLSA-N 1 0 345.512 4.092 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)nc2ccccc12 ZINC000512193276 1026362042 /nfs/dbraw/zinc/36/20/42/1026362042.db2.gz HFNUDNKJMCQKRB-UHFFFAOYSA-N 1 0 336.435 4.207 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000284658881 1026384123 /nfs/dbraw/zinc/38/41/23/1026384123.db2.gz GHOOFGJYQQLAPL-OAHLLOKOSA-N 1 0 336.277 4.215 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000647960395 1026387003 /nfs/dbraw/zinc/38/70/03/1026387003.db2.gz WTWPAZHTZDVFCW-QGZVFWFLSA-N 1 0 346.490 4.098 20 30 EIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CCCCCC1 ZINC000279364494 1026393171 /nfs/dbraw/zinc/39/31/71/1026393171.db2.gz HXKMQKXVCCOQHN-UHFFFAOYSA-N 1 0 337.471 4.013 20 30 EIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540594063 1026420532 /nfs/dbraw/zinc/42/05/32/1026420532.db2.gz DGMXZECBYKSOJY-IRLDBZIGSA-N 1 0 339.527 4.471 20 30 EIEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C(F)(F)F ZINC000150880228 1026434555 /nfs/dbraw/zinc/43/45/55/1026434555.db2.gz LJTJHKBKPCOZTC-OAHLLOKOSA-N 1 0 337.389 4.032 20 30 EIEDRO C[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587640 1026477449 /nfs/dbraw/zinc/47/74/49/1026477449.db2.gz KMMXLCBQIPHZAN-QRWLVFNGSA-N 1 0 348.425 4.065 20 30 EIEDRO C=CC[NH+]1CCC(N[C@H](c2cccc(OC(C)C)c2)C(F)F)CC1 ZINC000684835866 1026504007 /nfs/dbraw/zinc/50/40/07/1026504007.db2.gz LAFIFDZKUCVILX-GOSISDBHSA-N 1 0 338.442 4.020 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000563329328 1026552824 /nfs/dbraw/zinc/55/28/24/1026552824.db2.gz ZGZWGYZGVOTVOK-LJQANCHMSA-N 1 0 336.435 4.133 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244662 1026569245 /nfs/dbraw/zinc/56/92/45/1026569245.db2.gz OSYJFAOBMLPHBW-CVDCTZTESA-N 1 0 345.490 4.217 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512245171 1026572152 /nfs/dbraw/zinc/57/21/52/1026572152.db2.gz QAGZEZASGDWXTN-XXBNENTESA-N 1 0 345.490 4.217 20 30 EIEDRO C=CC[C@@H](C(=O)N1CCC(C[N@@H+](C)CCCC)CC1)c1ccccc1 ZINC000426849498 1026590698 /nfs/dbraw/zinc/59/06/98/1026590698.db2.gz VAHKQBSVBFWOLV-OAQYLSRUSA-N 1 0 342.527 4.317 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)cc1OCCCC#N ZINC000344786018 1026595995 /nfs/dbraw/zinc/59/59/95/1026595995.db2.gz CPOFIRDVGQUYNI-HNNXBMFYSA-N 1 0 338.398 4.045 20 30 EIEDRO N#CCC[C@H]([NH2+]Cc1cnc(-c2ccncc2)s1)c1ccccc1 ZINC000344835378 1026635168 /nfs/dbraw/zinc/63/51/68/1026635168.db2.gz UBHYBMBFKQJESH-SFHVURJKSA-N 1 0 334.448 4.340 20 30 EIEDRO Cn1nccc1-c1ccccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000507156588 1026676059 /nfs/dbraw/zinc/67/60/59/1026676059.db2.gz UCWDXIMYTRQONU-UHFFFAOYSA-N 1 0 342.446 4.123 20 30 EIEDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccc(C#N)c1 ZINC000507206101 1026692430 /nfs/dbraw/zinc/69/24/30/1026692430.db2.gz AUHQCTCRHVKMOB-UHFFFAOYSA-N 1 0 347.374 4.358 20 30 EIEDRO CCC1(CC)[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[C@H]1OC ZINC000345005881 1026751520 /nfs/dbraw/zinc/75/15/20/1026751520.db2.gz CICUSMYMBXHUFT-RTBURBONSA-N 1 0 330.472 4.052 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657454822 1026772037 /nfs/dbraw/zinc/77/20/37/1026772037.db2.gz MPJLARBYXYQFAO-MSOLQXFVSA-N 1 0 328.481 4.189 20 30 EIEDRO C=CCC1(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000418673434 1026790757 /nfs/dbraw/zinc/79/07/57/1026790757.db2.gz NPJUTYAYBCUHAX-GOSISDBHSA-N 1 0 329.488 4.045 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCCN(c2ccccc2)C1 ZINC001167587235 1026838406 /nfs/dbraw/zinc/83/84/06/1026838406.db2.gz WQGLBPZYRVYEHA-LJQANCHMSA-N 1 0 339.870 4.312 20 30 EIEDRO CCO[C@H](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)C ZINC000507613373 1026854053 /nfs/dbraw/zinc/85/40/53/1026854053.db2.gz QVEYDHNDORHDJN-NYLDSWQDSA-N 1 0 328.500 4.431 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H](CCO)C2CCCCC2)CC1 ZINC000507614766 1026855593 /nfs/dbraw/zinc/85/55/93/1026855593.db2.gz DUMWFTNSCRSQNL-ORFBVSJDSA-N 1 0 340.511 4.311 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507634579 1026859943 /nfs/dbraw/zinc/85/99/43/1026859943.db2.gz GAQHOSFDIVXDKC-UHFFFAOYSA-N 1 0 349.434 4.131 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C#N)cc1 ZINC000375722366 1026873580 /nfs/dbraw/zinc/87/35/80/1026873580.db2.gz ZYPTWWGAPDMIQG-UXHICEINSA-N 1 0 333.435 4.097 20 30 EIEDRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000507693017 1026876657 /nfs/dbraw/zinc/87/66/57/1026876657.db2.gz FQKNZOOBQLPIKN-UHFFFAOYSA-N 1 0 336.483 4.295 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1F)c1ccccc1 ZINC000511177102 1026886493 /nfs/dbraw/zinc/88/64/93/1026886493.db2.gz VDQUQSHRXUNZQB-LJQANCHMSA-N 1 0 327.399 4.409 20 30 EIEDRO COc1ccccc1OCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000582641044 1026891831 /nfs/dbraw/zinc/89/18/31/1026891831.db2.gz VQZFUPBIJLZQKF-LJQANCHMSA-N 1 0 336.435 4.003 20 30 EIEDRO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001167594885 1026915767 /nfs/dbraw/zinc/91/57/67/1026915767.db2.gz VYNTUSNOMIFONF-OAQYLSRUSA-N 1 0 344.462 4.307 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000277793996 1026956198 /nfs/dbraw/zinc/95/61/98/1026956198.db2.gz SUJINAGJKNCOQN-UHFFFAOYSA-N 1 0 325.456 4.122 20 30 EIEDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(C#N)cc1Br ZINC000135534933 1026984565 /nfs/dbraw/zinc/98/45/65/1026984565.db2.gz UXQGPMQYYYUDPO-ZDUSSCGKSA-N 1 0 338.293 4.243 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415579543 1026993162 /nfs/dbraw/zinc/99/31/62/1026993162.db2.gz KIMODTNSGOANAG-INIZCTEOSA-N 1 0 329.488 4.131 20 30 EIEDRO N#CCc1cc2ccccc2c(-n2cc(CC[NH3+])c3cc(O)ccc32)c1 ZINC001167988507 1027032266 /nfs/dbraw/zinc/03/22/66/1027032266.db2.gz ZATMKADTYHEGAK-UHFFFAOYSA-N 1 0 341.414 4.057 20 30 EIEDRO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](CC)c1ccccc1 ZINC000519906024 1027040484 /nfs/dbraw/zinc/04/04/84/1027040484.db2.gz BUHXSFMCBSQCTI-NRFANRHFSA-N 1 0 349.478 4.038 20 30 EIEDRO COCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000342808278 1027086116 /nfs/dbraw/zinc/08/61/16/1027086116.db2.gz AZPPSUDEVFNHSQ-RBOXIYTFSA-N 1 0 327.255 4.353 20 30 EIEDRO C=CCCC1(C[NH2+]Cc2csc(N(CC)C(C)=O)n2)CCCC1 ZINC000657567858 1027094898 /nfs/dbraw/zinc/09/48/98/1027094898.db2.gz YEHBHGHJWPXXCK-UHFFFAOYSA-N 1 0 335.517 4.132 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c(Cl)c1 ZINC000384310106 1027110889 /nfs/dbraw/zinc/11/08/89/1027110889.db2.gz KDKMSVPOHAWNFM-GOSISDBHSA-N 1 0 340.854 4.250 20 30 EIEDRO C=CCC[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000657583216 1027177756 /nfs/dbraw/zinc/17/77/56/1027177756.db2.gz GXTRIEHYFRPHPT-JTQLQIEISA-N 1 0 334.769 4.242 20 30 EIEDRO CSc1ccc(C[NH2+]Cc2ccc(CC(C)C)nc2)cc1C#N ZINC000896046487 1027178614 /nfs/dbraw/zinc/17/86/14/1027178614.db2.gz RZYDPWXIVTZTCN-UHFFFAOYSA-N 1 0 325.481 4.163 20 30 EIEDRO C=CC[N@H+](Cc1cc(I)cs1)C(C)(C)C ZINC001141866641 1027209975 /nfs/dbraw/zinc/20/99/75/1027209975.db2.gz NTFCYZUDDCGYPU-UHFFFAOYSA-N 1 0 335.254 4.139 20 30 EIEDRO C=C(C[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000474611171 1027305427 /nfs/dbraw/zinc/30/54/27/1027305427.db2.gz AUOFFIBVMXQQAB-SJORKVTESA-N 1 0 325.452 4.499 20 30 EIEDRO C[C@@H]1C[C@@H](NCc2cc(C#N)cs2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168039295 1027314206 /nfs/dbraw/zinc/31/42/06/1027314206.db2.gz CURXZBNPGLHZKU-HGKCTWBKSA-N 1 0 339.508 4.151 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC#Cc2ccccc2Cl)C1 ZINC000441265230 1027406361 /nfs/dbraw/zinc/40/63/61/1027406361.db2.gz RWQMTDWDTXOTMQ-ZHALLVOQSA-N 1 0 330.903 4.029 20 30 EIEDRO C=CC[N@@H+](CCOc1ccccc1OCC)Cc1cccc(C#N)c1 ZINC000441282328 1027409935 /nfs/dbraw/zinc/40/99/35/1027409935.db2.gz HYVILWZSZWKTMX-UHFFFAOYSA-N 1 0 336.435 4.024 20 30 EIEDRO COc1cc(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)ccc1C#N ZINC000441351496 1027473704 /nfs/dbraw/zinc/47/37/04/1027473704.db2.gz CPKNIUGQORITSV-SAABIXHNSA-N 1 0 326.827 4.256 20 30 EIEDRO COc1cc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)ccc1C#N ZINC000441344687 1027480469 /nfs/dbraw/zinc/48/04/69/1027480469.db2.gz FKCWKGFRVMGALG-SAABIXHNSA-N 1 0 326.827 4.256 20 30 EIEDRO C[C@H](CNc1cc(Cl)ccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000609891681 1027494665 /nfs/dbraw/zinc/49/46/65/1027494665.db2.gz YXRAOOKAPDRMLL-CQSZACIVSA-N 1 0 325.843 4.070 20 30 EIEDRO C#CCCC[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000224305012 1027533783 /nfs/dbraw/zinc/53/37/83/1027533783.db2.gz LJBKGHWKKYIPKW-JTQLQIEISA-N 1 0 345.078 4.276 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1Cl ZINC000657692841 1027585534 /nfs/dbraw/zinc/58/55/34/1027585534.db2.gz FSFPRLBZMOMUDN-GOSISDBHSA-N 1 0 329.827 4.388 20 30 EIEDRO C[C@@H]([NH2+]C1(CNC(=O)C2CC(C)(C)C2)CCOCC1)c1ccccc1 ZINC000329156986 1027612524 /nfs/dbraw/zinc/61/25/24/1027612524.db2.gz CYNSMZHJQTXCNL-MRXNPFEDSA-N 1 0 344.499 4.279 20 30 EIEDRO CC[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000303792637 1027655206 /nfs/dbraw/zinc/65/52/06/1027655206.db2.gz YOVWNFBSTWGMRT-ZDUSSCGKSA-N 1 0 331.847 4.269 20 30 EIEDRO C[C@H](CNc1ccc(C#N)cc1C(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000609963941 1027686449 /nfs/dbraw/zinc/68/64/49/1027686449.db2.gz KQPVMWZTFWSRSO-CHWSQXEVSA-N 1 0 325.378 4.109 20 30 EIEDRO C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1nc(C2CCCCC2)no1 ZINC000329308351 1027715459 /nfs/dbraw/zinc/71/54/59/1027715459.db2.gz ZRTYLHBXOBNRNE-GOEBONIOSA-N 1 0 348.491 4.399 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000329367558 1027749689 /nfs/dbraw/zinc/74/96/89/1027749689.db2.gz HMAONXMPAFVGMX-KDOFPFPSSA-N 1 0 342.418 4.024 20 30 EIEDRO CCC(CC)c1cc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)on1 ZINC000304790706 1027757005 /nfs/dbraw/zinc/75/70/05/1027757005.db2.gz KJNKWODCBDYCFQ-UHFFFAOYSA-N 1 0 344.459 4.292 20 30 EIEDRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328691823 1027796315 /nfs/dbraw/zinc/79/63/15/1027796315.db2.gz IYLWODPHPRKYES-IUODEOHRSA-N 1 0 347.484 4.016 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)C1 ZINC000328737786 1027801326 /nfs/dbraw/zinc/80/13/26/1027801326.db2.gz HEEHIUBYMIXZKW-MRAWALMUSA-N 1 0 343.858 4.429 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000444589039 1027877834 /nfs/dbraw/zinc/87/78/34/1027877834.db2.gz HRGLSQVUUKIEMB-FLIBITNWSA-N 1 0 325.500 4.037 20 30 EIEDRO CC[N@H+](CCCCC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000444684389 1027941046 /nfs/dbraw/zinc/94/10/46/1027941046.db2.gz MEZKKIVOTRMZTM-FQEVSTJZSA-N 1 0 327.516 4.303 20 30 EIEDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444686002 1027943720 /nfs/dbraw/zinc/94/37/20/1027943720.db2.gz QPNVQOGLEXWLET-FCHUYYIVSA-N 1 0 348.490 4.027 20 30 EIEDRO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCCC[C@@H]1C ZINC000444668377 1027951333 /nfs/dbraw/zinc/95/13/33/1027951333.db2.gz CDSZCWMINDDFHB-GUYCJALGSA-N 1 0 333.863 4.051 20 30 EIEDRO Cc1cc(Br)ccc1C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000444693518 1027979331 /nfs/dbraw/zinc/97/93/31/1027979331.db2.gz ADUVNHAQXKKRAF-UHFFFAOYSA-N 1 0 343.268 4.456 20 30 EIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2)c(OC(F)F)c1 ZINC000152031104 1028018893 /nfs/dbraw/zinc/01/88/93/1028018893.db2.gz LVHMJBXGEUFSQB-UHFFFAOYSA-N 1 0 346.377 4.238 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CCCC1(C)C ZINC000444784711 1028070915 /nfs/dbraw/zinc/07/09/15/1028070915.db2.gz WJJLEXMEMHTGOD-KRWDZBQOSA-N 1 0 336.439 4.175 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccncc2OC)cc1Cl ZINC000189544108 1028161948 /nfs/dbraw/zinc/16/19/48/1028161948.db2.gz RWJKRNQMZVHQCR-CYBMUJFWSA-N 1 0 332.831 4.159 20 30 EIEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cn1cc2ccccc2n1 ZINC000330057591 1028194883 /nfs/dbraw/zinc/19/48/83/1028194883.db2.gz XSWUOLVLYRCAHP-UHFFFAOYSA-N 1 0 342.487 4.038 20 30 EIEDRO CC(=O)N[C@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)c1cccs1 ZINC000330111097 1028204723 /nfs/dbraw/zinc/20/47/23/1028204723.db2.gz QXEYBJGLPQUOSA-UYSNPLJNSA-N 1 0 349.500 4.129 20 30 EIEDRO CC#CCCCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650679324 1028262763 /nfs/dbraw/zinc/26/27/63/1028262763.db2.gz LIACBMCTCYLYAH-UHFFFAOYSA-N 1 0 330.497 4.007 20 30 EIEDRO Cc1cc([C@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])C2CC2)ccc1F ZINC000583207080 1028264206 /nfs/dbraw/zinc/26/42/06/1028264206.db2.gz LHMPTJPIUQPRFY-LJQANCHMSA-N 1 0 339.370 4.155 20 30 EIEDRO COc1ccc(C(=O)C2CC[NH+](CCCCC(C)(C)C#N)CC2)cc1 ZINC000278137900 1028265927 /nfs/dbraw/zinc/26/59/27/1028265927.db2.gz NFZJWWGKCMMNTR-UHFFFAOYSA-N 1 0 342.483 4.310 20 30 EIEDRO CN(Cc1ccc(OC(F)F)c(Br)c1)CC(C)(C)C#N ZINC000583219993 1028285136 /nfs/dbraw/zinc/28/51/36/1028285136.db2.gz KQXUIXGZJQOZLG-UHFFFAOYSA-N 1 0 347.203 4.032 20 30 EIEDRO Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346213686 1028316675 /nfs/dbraw/zinc/31/66/75/1028316675.db2.gz YRLKVBOUMNJHKH-OAHLLOKOSA-N 1 0 334.398 4.042 20 30 EIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000152078792 1028318319 /nfs/dbraw/zinc/31/83/19/1028318319.db2.gz SUQJQQDTJBWGKD-UHFFFAOYSA-N 1 0 347.418 4.088 20 30 EIEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1CO)c1ccc(C#N)cc1Cl ZINC000375736716 1028319187 /nfs/dbraw/zinc/31/91/87/1028319187.db2.gz RCOVOCORGNLLPX-RISOHXOYSA-N 1 0 340.854 4.158 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(-c3ccncc3)c2)ccc1C#N ZINC000583292360 1028448111 /nfs/dbraw/zinc/44/81/11/1028448111.db2.gz GFXHLRYRZKABFI-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000523936077 1028475680 /nfs/dbraw/zinc/47/56/80/1028475680.db2.gz SMMKVNXIUMLCPV-GFCCVEGCSA-N 1 0 348.288 4.306 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281369274 1028567531 /nfs/dbraw/zinc/56/75/31/1028567531.db2.gz WMIISUHXOBXKHW-LJQANCHMSA-N 1 0 341.455 4.066 20 30 EIEDRO CC(C)c1cccc2c1CC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000281455781 1028613876 /nfs/dbraw/zinc/61/38/76/1028613876.db2.gz UZKXIJRRPLTZSI-UHFFFAOYSA-N 1 0 326.484 4.269 20 30 EIEDRO Cc1ccc([C@H]([NH2+]CCCC2(C#N)CCOCC2)c2ccccn2)cc1 ZINC000281446794 1028621999 /nfs/dbraw/zinc/62/19/99/1028621999.db2.gz UIMCWVBWYCAKHG-NRFANRHFSA-N 1 0 349.478 4.170 20 30 EIEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000330353941 1028646825 /nfs/dbraw/zinc/64/68/25/1028646825.db2.gz PAQSRIKJOIQFKN-GFCCVEGCSA-N 1 0 336.486 4.119 20 30 EIEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000583430040 1028718409 /nfs/dbraw/zinc/71/84/09/1028718409.db2.gz GKOVVZRWCCPRJH-QRWLVFNGSA-N 1 0 344.462 4.423 20 30 EIEDRO [NH2+]=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)Nc1cc(F)ccc1F ZINC000262299993 1028718725 /nfs/dbraw/zinc/71/87/25/1028718725.db2.gz PWRGGCDZLYZHFB-UWVGGRQHSA-N 1 0 335.320 4.060 20 30 EIEDRO [NH2+]=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cc(F)ccc1F ZINC000262299991 1028719751 /nfs/dbraw/zinc/71/97/51/1028719751.db2.gz PWRGGCDZLYZHFB-NXEZZACHSA-N 1 0 335.320 4.060 20 30 EIEDRO C=C(C)COc1cc(CNC2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000237320982 1028769254 /nfs/dbraw/zinc/76/92/54/1028769254.db2.gz RTHSZBQGFISXDC-UHFFFAOYSA-N 1 0 346.515 4.003 20 30 EIEDRO Cc1ccc(C#N)c(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)n1 ZINC000346832398 1028778934 /nfs/dbraw/zinc/77/89/34/1028778934.db2.gz NESVADJDPKAYEG-QGZVFWFLSA-N 1 0 334.467 4.248 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccccc2OCCC(C)C)ccc1C#N ZINC000440833592 1028835335 /nfs/dbraw/zinc/83/53/35/1028835335.db2.gz SXHCTIJEHDIEEU-UHFFFAOYSA-N 1 0 338.451 4.282 20 30 EIEDRO N#CC1(CCC[N@H+]2CC=C(c3ccc(F)cc3)CC2)CCOCC1 ZINC000281901070 1028943577 /nfs/dbraw/zinc/94/35/77/1028943577.db2.gz FRXVIOZBXHIIMC-UHFFFAOYSA-N 1 0 328.431 4.015 20 30 EIEDRO N#CC1(CCC[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000281912144 1028949605 /nfs/dbraw/zinc/94/96/05/1028949605.db2.gz GNKWQNUBJCQWKH-KRWDZBQOSA-N 1 0 332.875 4.230 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000278365572 1029012119 /nfs/dbraw/zinc/01/21/19/1029012119.db2.gz BSDFJUAIMHIZKE-XSUJLISDSA-N 1 0 327.255 4.087 20 30 EIEDRO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281976793 1029041805 /nfs/dbraw/zinc/04/18/05/1029041805.db2.gz LOGHJHIOQAOLLI-VQIMIIECSA-N 1 0 330.447 4.309 20 30 EIEDRO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281985394 1029049636 /nfs/dbraw/zinc/04/96/36/1029049636.db2.gz MJLYPPWOZMEBRL-OAHLLOKOSA-N 1 0 343.496 4.390 20 30 EIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1 ZINC000522949339 1029119769 /nfs/dbraw/zinc/11/97/69/1029119769.db2.gz MNGIGENLOGDCKG-UHFFFAOYSA-N 1 0 338.495 4.381 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000548809333 1029140728 /nfs/dbraw/zinc/14/07/28/1029140728.db2.gz GSYFYCLGWAUEBT-LJQANCHMSA-N 1 0 341.499 4.287 20 30 EIEDRO C=CCCCN(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000522986991 1029149277 /nfs/dbraw/zinc/14/92/77/1029149277.db2.gz DEQHDRIXKFHGFB-GOSISDBHSA-N 1 0 349.906 4.085 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2ccnc2)cc1 ZINC000101547024 1029209528 /nfs/dbraw/zinc/20/95/28/1029209528.db2.gz YYSDBSVGNRBJPK-UHFFFAOYSA-N 1 0 330.435 4.155 20 30 EIEDRO CC(C)[N@H+](CCCCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000131045874 1029273699 /nfs/dbraw/zinc/27/36/99/1029273699.db2.gz OAPXJDVBKNGASG-UHFFFAOYSA-N 1 0 332.835 4.294 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000158160828 1029340716 /nfs/dbraw/zinc/34/07/16/1029340716.db2.gz CPVXEPNUSHFZGU-BSIFCXSSSA-N 1 0 336.435 4.160 20 30 EIEDRO Cc1c2ccccc2n(C)c1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000475202455 1029431889 /nfs/dbraw/zinc/43/18/89/1029431889.db2.gz JUYINDXDIXOVPA-UHFFFAOYSA-N 1 0 347.462 4.459 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000475284733 1029499719 /nfs/dbraw/zinc/49/97/19/1029499719.db2.gz DQMATUWTYASAPC-UHFFFAOYSA-N 1 0 332.451 4.154 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000584024990 1029542578 /nfs/dbraw/zinc/54/25/78/1029542578.db2.gz ITRPBXJTBYBZGI-UYAOXDASSA-N 1 0 328.500 4.007 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000192907668 1029639666 /nfs/dbraw/zinc/63/96/66/1029639666.db2.gz HLYBFSCCNHJYJY-ZDUSSCGKSA-N 1 0 334.341 4.459 20 30 EIEDRO C=C(C)C[N@H+](C/C=C\c1ccc(F)c(F)c1)Cc1ccc(CO)o1 ZINC000584140071 1029640186 /nfs/dbraw/zinc/64/01/86/1029640186.db2.gz PHYFVBZOZQZDDQ-ARJAWSKDSA-N 1 0 333.378 4.142 20 30 EIEDRO C[C@@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C[C@H](C)N1Cc1ccccc1 ZINC001168065492 1029649001 /nfs/dbraw/zinc/64/90/01/1029649001.db2.gz WVKCOWHLGPHQAB-IHOVJFEMSA-N 1 0 337.511 4.195 20 30 EIEDRO CCC[N@H+](CCOc1ccccc1OCC)Cc1ccc(C#N)cc1 ZINC000441184848 1029676652 /nfs/dbraw/zinc/67/66/52/1029676652.db2.gz QOCFVNBKDOLNLJ-UHFFFAOYSA-N 1 0 338.451 4.248 20 30 EIEDRO N#CCCC1CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000584229635 1029684134 /nfs/dbraw/zinc/68/41/34/1029684134.db2.gz GJYFGWSTWLHCET-UHFFFAOYSA-N 1 0 335.451 4.176 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000657841736 1029751192 /nfs/dbraw/zinc/75/11/92/1029751192.db2.gz JGMYWFRQCKZZCP-VQTJNVASSA-N 1 0 326.484 4.034 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(C#N)cc1 ZINC000278742469 1029781149 /nfs/dbraw/zinc/78/11/49/1029781149.db2.gz NLBNFZMIONRBRM-ROUUACIJSA-N 1 0 330.497 4.044 20 30 EIEDRO C=CCOc1ccc(C[N@H+](Cc2ncccc2O)C(C)(C)C)cc1 ZINC000584436772 1029864414 /nfs/dbraw/zinc/86/44/14/1029864414.db2.gz ARZWBMNHJVMZCZ-UHFFFAOYSA-N 1 0 326.440 4.153 20 30 EIEDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)CC3 ZINC000611863523 1029873207 /nfs/dbraw/zinc/87/32/07/1029873207.db2.gz AUBQSDUUSHSMNY-RHSMWYFYSA-N 1 0 345.446 4.256 20 30 EIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1ccc(OCC#N)cc1 ZINC000181586682 1029904451 /nfs/dbraw/zinc/90/44/51/1029904451.db2.gz WCIPAUMIDBLGFU-VGOFRKELSA-N 1 0 343.430 4.424 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(Cl)cc1 ZINC000024254128 1029935764 /nfs/dbraw/zinc/93/57/64/1029935764.db2.gz TXTMWOBYHDAZDI-HNNXBMFYSA-N 1 0 347.871 4.343 20 30 EIEDRO Cc1cc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)o1 ZINC000447528509 1030123414 /nfs/dbraw/zinc/12/34/14/1030123414.db2.gz HUDARFFJOYUOCA-YOEHRIQHSA-N 1 0 341.430 4.227 20 30 EIEDRO C=CCCC1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000525974677 1030133848 /nfs/dbraw/zinc/13/38/48/1030133848.db2.gz ZWADDSJGFKXMDK-GOSISDBHSA-N 1 0 346.902 4.340 20 30 EIEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCOc1ccccc1C#N ZINC001168158575 1030136968 /nfs/dbraw/zinc/13/69/68/1030136968.db2.gz NKOYAZIJCQNFGG-OAHLLOKOSA-N 1 0 328.843 4.201 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2OC)C1)c1ccc(C#N)cc1 ZINC000447534252 1030138456 /nfs/dbraw/zinc/13/84/56/1030138456.db2.gz VWPHPTBGINXWJK-ICSRJNTNSA-N 1 0 349.478 4.134 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447541727 1030144359 /nfs/dbraw/zinc/14/43/59/1030144359.db2.gz MWFPJJFWCDBJEK-YADHBBJMSA-N 1 0 333.479 4.264 20 30 EIEDRO CC[C@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000447583744 1030181164 /nfs/dbraw/zinc/18/11/64/1030181164.db2.gz COZWPBHEPZWXDV-IBGZPJMESA-N 1 0 328.843 4.469 20 30 EIEDRO CC[C@H]([NH2+]CCOc1ncccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000447588426 1030191751 /nfs/dbraw/zinc/19/17/51/1030191751.db2.gz UKHYBCJDPDLTNP-INIZCTEOSA-N 1 0 349.356 4.092 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000185799218 1030224594 /nfs/dbraw/zinc/22/45/94/1030224594.db2.gz LPNQVYMJJYUTNQ-QRTARXTBSA-N 1 0 326.419 4.053 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC[C@H]([NH+](C)C)CC3)c2c1 ZINC000447681124 1030268953 /nfs/dbraw/zinc/26/89/53/1030268953.db2.gz WJSMXFVYCBZMRM-SFHVURJKSA-N 1 0 336.483 4.150 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000451166227 1030292093 /nfs/dbraw/zinc/29/20/93/1030292093.db2.gz NILYUSZBXWXERC-CQSZACIVSA-N 1 0 348.487 4.409 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1ncc(Br)cc1Br ZINC000393756434 1030292407 /nfs/dbraw/zinc/29/24/07/1030292407.db2.gz XDQBCFQKMUGXEX-SNVBAGLBSA-N 1 0 348.082 4.051 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000309636553 1030301375 /nfs/dbraw/zinc/30/13/75/1030301375.db2.gz MUDXVDXBFKVGJS-QHCPKHFHSA-N 1 0 342.442 4.294 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21)c1ccc(C#N)cc1 ZINC000530321397 1030311328 /nfs/dbraw/zinc/31/13/28/1030311328.db2.gz NKNZIOOBQBNYIJ-IIBYNOLFSA-N 1 0 342.446 4.472 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21)c1ccc(C#N)cc1 ZINC000530321395 1030313226 /nfs/dbraw/zinc/31/32/26/1030313226.db2.gz NKNZIOOBQBNYIJ-HRAATJIYSA-N 1 0 342.446 4.472 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC000685459634 1030359028 /nfs/dbraw/zinc/35/90/28/1030359028.db2.gz UKBNUEKBLJUTSD-UHFFFAOYSA-N 1 0 339.483 4.140 20 30 EIEDRO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC1 ZINC000187895768 1030377185 /nfs/dbraw/zinc/37/71/85/1030377185.db2.gz GXTSLOGGNGYBHX-AZUAARDMSA-N 1 0 340.511 4.244 20 30 EIEDRO CC1(C)CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000303870111 1030378208 /nfs/dbraw/zinc/37/82/08/1030378208.db2.gz HSHBTHNYBCFINK-UHFFFAOYSA-N 1 0 337.467 4.250 20 30 EIEDRO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000127518846 1030378528 /nfs/dbraw/zinc/37/85/28/1030378528.db2.gz PMDWXVCEHIFLOB-KGLIPLIRSA-N 1 0 341.842 4.198 20 30 EIEDRO C[C@H]1C[N@H+](CCC(C)(C)C#N)C2(CCCC2)CN1CCC(C)(C)C#N ZINC000451349939 1030423396 /nfs/dbraw/zinc/42/33/96/1030423396.db2.gz ZXUBHCNGNVOHQF-SFHVURJKSA-N 1 0 344.547 4.185 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1F ZINC000527100180 1030480903 /nfs/dbraw/zinc/48/09/03/1030480903.db2.gz UPLAARCQFUZRKA-OOHWJJMZSA-N 1 0 339.414 4.133 20 30 EIEDRO CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000448032124 1030528957 /nfs/dbraw/zinc/52/89/57/1030528957.db2.gz WAWDKACRIDTSOI-IAGOWNOFSA-N 1 0 336.483 4.169 20 30 EIEDRO C=CCCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000448031846 1030529356 /nfs/dbraw/zinc/52/93/56/1030529356.db2.gz VMBJOFVBQZSKLS-QGZVFWFLSA-N 1 0 338.289 4.473 20 30 EIEDRO COc1cccc([C@H](C)[NH+]2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000527191108 1030545426 /nfs/dbraw/zinc/54/54/26/1030545426.db2.gz MBDMMIDEOLFGMI-MSOLQXFVSA-N 1 0 349.478 4.007 20 30 EIEDRO C[N@@H+](CCCC#N)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000063763766 1030570086 /nfs/dbraw/zinc/57/00/86/1030570086.db2.gz MFSIYIGDXTUUHO-UHFFFAOYSA-N 1 0 329.419 4.429 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)s1 ZINC000527349952 1030641745 /nfs/dbraw/zinc/64/17/45/1030641745.db2.gz QVUPEZATDKPZGE-ODIFPOPNSA-N 1 0 341.480 4.364 20 30 EIEDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000451810350 1030711309 /nfs/dbraw/zinc/71/13/09/1030711309.db2.gz NQRKKCANPVUVCW-FQEVSTJZSA-N 1 0 334.463 4.208 20 30 EIEDRO COc1ccc(C[NH2+]CC2CCC(C)CC2)cc1OCCCC#N ZINC000064614305 1030717324 /nfs/dbraw/zinc/71/73/24/1030717324.db2.gz PYEGMFVKNSMZRX-UHFFFAOYSA-N 1 0 330.472 4.294 20 30 EIEDRO COc1cccc(NC(=[NH2+])N[C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000263203518 1030761818 /nfs/dbraw/zinc/76/18/18/1030761818.db2.gz XRZZROXLIFQAQK-MQMHXKEQSA-N 1 0 329.831 4.021 20 30 EIEDRO C=CCCCCC[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000193415391 1030787174 /nfs/dbraw/zinc/78/71/74/1030787174.db2.gz LFWFIFUGVQHBOL-UHFFFAOYSA-N 1 0 330.472 4.092 20 30 EIEDRO COCC[N@H+](CCCC(C)(C)C#N)Cc1ccc(F)c(Cl)c1 ZINC000451975972 1030814729 /nfs/dbraw/zinc/81/47/29/1030814729.db2.gz LZBULKSMZSNYSG-UHFFFAOYSA-N 1 0 326.843 4.257 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000255644406 1030833293 /nfs/dbraw/zinc/83/32/93/1030833293.db2.gz YXCGKHFWXFSBNN-XUVWKZFSSA-N 1 0 345.446 4.196 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Br)cc1 ZINC000223595226 1030833655 /nfs/dbraw/zinc/83/36/55/1030833655.db2.gz UDDNEFCRAQAUSB-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(C4CC4)cc3)CCOCC2)cc1 ZINC000527809555 1030854657 /nfs/dbraw/zinc/85/46/57/1030854657.db2.gz KXQRTDPTRFLOLY-UHFFFAOYSA-N 1 0 332.447 4.231 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccccc3C3CC3)CCOCC2)cc1 ZINC000527808716 1030855370 /nfs/dbraw/zinc/85/53/70/1030855370.db2.gz BXUVARKLLMDBGJ-UHFFFAOYSA-N 1 0 332.447 4.231 20 30 EIEDRO CCCc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000527808592 1030855438 /nfs/dbraw/zinc/85/54/38/1030855438.db2.gz BEILZLAYBROJQM-UHFFFAOYSA-N 1 0 334.463 4.306 20 30 EIEDRO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)ccc1Cl ZINC000527808364 1030855588 /nfs/dbraw/zinc/85/55/88/1030855588.db2.gz GQYNPWRBTWRPLN-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)c1C ZINC000051428755 1030856258 /nfs/dbraw/zinc/85/62/58/1030856258.db2.gz SISVDVQEJJLRLJ-IBGZPJMESA-N 1 0 349.478 4.243 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cc(F)c(Br)cc1F ZINC000527891389 1030898421 /nfs/dbraw/zinc/89/84/21/1030898421.db2.gz MLYWQYQOQKVGRG-IVZWLZJFSA-N 1 0 329.188 4.070 20 30 EIEDRO Cc1ccsc1C[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000054426940 1030898447 /nfs/dbraw/zinc/89/84/47/1030898447.db2.gz FCMCNMWCDFGMLO-UHFFFAOYSA-N 1 0 347.871 4.042 20 30 EIEDRO CCn1nccc1CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000179385081 1031045638 /nfs/dbraw/zinc/04/56/38/1031045638.db2.gz RAVASCKDFZRTSF-UHFFFAOYSA-N 1 0 348.425 4.116 20 30 EIEDRO Cc1ccc(CNC(=[NH2+])Nc2ccccn2)c(O[C@H](C)CC(C)C)c1 ZINC000177067453 1031077247 /nfs/dbraw/zinc/07/72/47/1031077247.db2.gz WWHKZOBSPLUIRX-MRXNPFEDSA-N 1 0 340.471 4.130 20 30 EIEDRO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463476 1031080763 /nfs/dbraw/zinc/08/07/63/1031080763.db2.gz NMXVUXJQXBSOCN-IRXDYDNUSA-N 1 0 333.435 4.432 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1(C)C ZINC000618327848 1031164706 /nfs/dbraw/zinc/16/47/06/1031164706.db2.gz ODJLRJGJPLFYOK-INIZCTEOSA-N 1 0 329.400 4.303 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000448920318 1031247550 /nfs/dbraw/zinc/24/75/50/1031247550.db2.gz GVUPIXNQEOCIQV-NHCUHLMSSA-N 1 0 340.511 4.117 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000532549706 1031265578 /nfs/dbraw/zinc/26/55/78/1031265578.db2.gz OWYIQSAECSTSPA-JSGCOSHPSA-N 1 0 338.879 4.176 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccc(C#N)cc1 ZINC000280235258 1031355901 /nfs/dbraw/zinc/35/59/01/1031355901.db2.gz VNCGKNYOIIBOFQ-NEPJUHHUSA-N 1 0 330.229 4.128 20 30 EIEDRO CC(C)(CCC#N)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000123287828 1031414805 /nfs/dbraw/zinc/41/48/05/1031414805.db2.gz QDKWINVSDXSGAW-UHFFFAOYSA-N 1 0 333.907 4.178 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Cc1ccccc1 ZINC000449072750 1031426341 /nfs/dbraw/zinc/42/63/41/1031426341.db2.gz GKHOLTRVSXGOHQ-NYLDSWQDSA-N 1 0 327.516 4.002 20 30 EIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449097995 1031441033 /nfs/dbraw/zinc/44/10/33/1031441033.db2.gz OEDDBAWZJNOQCL-IGEOTXOUSA-N 1 0 335.289 4.442 20 30 EIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449097996 1031441565 /nfs/dbraw/zinc/44/15/65/1031441565.db2.gz OEDDBAWZJNOQCL-NVPAJSRCSA-N 1 0 335.289 4.442 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CCN1Cc1ccccc1 ZINC000449179795 1031519271 /nfs/dbraw/zinc/51/92/71/1031519271.db2.gz XEUBRDNIDWPBBM-PPXMBRMGSA-N 1 0 325.500 4.102 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CCN1Cc1ccccc1 ZINC000449179794 1031520000 /nfs/dbraw/zinc/52/00/00/1031520000.db2.gz XEUBRDNIDWPBBM-MAKTXDPSSA-N 1 0 325.500 4.102 20 30 EIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000548932766 1031552903 /nfs/dbraw/zinc/55/29/03/1031552903.db2.gz GHWWMSKPCNCVSJ-MSOLQXFVSA-N 1 0 349.478 4.035 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000612489835 1031579093 /nfs/dbraw/zinc/57/90/93/1031579093.db2.gz UCNYEGHKWCJINL-CHWSQXEVSA-N 1 0 333.357 4.254 20 30 EIEDRO Cn1cc(CC[NH2+]C2CCC(C)(C#N)CC2)c2ccc(Cl)cc21 ZINC000449261824 1031601921 /nfs/dbraw/zinc/60/19/21/1031601921.db2.gz ADYUSXCURCLUPC-UHFFFAOYSA-N 1 0 329.875 4.436 20 30 EIEDRO CC1CCN([C@@H](C[NH2+]Cc2cc(C#N)cs2)c2ccccc2)CC1 ZINC000236654681 1031622416 /nfs/dbraw/zinc/62/24/16/1031622416.db2.gz FYKXXSGKPCDOSD-FQEVSTJZSA-N 1 0 339.508 4.183 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCCc3c(F)cccc32)cc(OC)c1O ZINC000449348096 1031645163 /nfs/dbraw/zinc/64/51/63/1031645163.db2.gz FJWKUDNJHNLBNT-IBGZPJMESA-N 1 0 341.426 4.436 20 30 EIEDRO CC[NH+](CC)CCCN[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000375982234 1031648074 /nfs/dbraw/zinc/64/80/74/1031648074.db2.gz WRKUVMCEQAALGO-OAHLLOKOSA-N 1 0 342.512 4.064 20 30 EIEDRO CC[N@H+](CCCC(C)(C)C#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472441483 1031657187 /nfs/dbraw/zinc/65/71/87/1031657187.db2.gz YATGGJRRKJELMD-QUCCMNQESA-N 1 0 327.516 4.474 20 30 EIEDRO N#Cc1c(F)ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1Cl ZINC000365451103 1031676133 /nfs/dbraw/zinc/67/61/33/1031676133.db2.gz DXOMRKYAKGBXKA-DNVCBOLYSA-N 1 0 344.817 4.218 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000449441183 1031762376 /nfs/dbraw/zinc/76/23/76/1031762376.db2.gz FTAWJTKAJJLUKO-AQFXKWCLSA-N 1 0 340.389 4.191 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000047797836 1031819445 /nfs/dbraw/zinc/81/94/45/1031819445.db2.gz IDGWPAYYXVKFEO-UHFFFAOYSA-N 1 0 338.414 4.187 20 30 EIEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453303503 1031828333 /nfs/dbraw/zinc/82/83/33/1031828333.db2.gz COIVJZUCLIVANW-HNNXBMFYSA-N 1 0 335.513 4.266 20 30 EIEDRO COCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000449553888 1031841629 /nfs/dbraw/zinc/84/16/29/1031841629.db2.gz MYBFPMGSVIFQJC-MAZHCROVSA-N 1 0 326.362 4.065 20 30 EIEDRO COCC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000449552085 1031842029 /nfs/dbraw/zinc/84/20/29/1031842029.db2.gz HZZVCIAWNQSQRS-JQFCIGGWSA-N 1 0 340.389 4.455 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000453359931 1031856565 /nfs/dbraw/zinc/85/65/65/1031856565.db2.gz PNIGSQABNJHIDI-WQVCFCJDSA-N 1 0 329.362 4.012 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3cc(F)c(F)c(F)c31)CC2 ZINC000453334883 1031860778 /nfs/dbraw/zinc/86/07/78/1031860778.db2.gz IKYWKOSDDKJGNO-CVEARBPZSA-N 1 0 328.337 4.240 20 30 EIEDRO C=CCN1CCC([NH2+]Cc2ccc(-c3ccccc3OC)cc2)CC1 ZINC000237335316 1031861424 /nfs/dbraw/zinc/86/14/24/1031861424.db2.gz GIMCKDAMFQAKHG-UHFFFAOYSA-N 1 0 336.479 4.102 20 30 EIEDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000453339536 1031864994 /nfs/dbraw/zinc/86/49/94/1031864994.db2.gz BQRZOYOWCJAFBA-LBPRGKRZSA-N 1 0 334.341 4.458 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1F ZINC000453363889 1031905784 /nfs/dbraw/zinc/90/57/84/1031905784.db2.gz CFIKMTQNDRXOSF-QGZVFWFLSA-N 1 0 330.790 4.354 20 30 EIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2ccc(F)cc2O1 ZINC000449735308 1031972665 /nfs/dbraw/zinc/97/26/65/1031972665.db2.gz HFDKSDBJWKHYFK-KRWDZBQOSA-N 1 0 328.362 4.228 20 30 EIEDRO Cc1cc(C#N)cc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000449756604 1031985379 /nfs/dbraw/zinc/98/53/79/1031985379.db2.gz BOEFOMHKJRMUTJ-UHFFFAOYSA-N 1 0 348.494 4.009 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1 ZINC000136432003 1032055630 /nfs/dbraw/zinc/05/56/30/1032055630.db2.gz CWZSDWYOQCUTGK-BDTNDASRSA-N 1 0 332.447 4.045 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)cc1 ZINC000512552189 1033333580 /nfs/dbraw/zinc/33/35/80/1033333580.db2.gz KHFNYDJCOKCDSB-UHFFFAOYSA-N 1 0 340.442 4.281 20 30 EIEDRO CCCN(C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000512560319 1033379621 /nfs/dbraw/zinc/37/96/21/1033379621.db2.gz CVUYCKYEPSGYBL-SFHVURJKSA-N 1 0 347.915 4.446 20 30 EIEDRO N#Cc1cccc(C[NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)c1 ZINC000512568545 1033388774 /nfs/dbraw/zinc/38/87/74/1033388774.db2.gz IBXJMWHMGRKWOI-FQEVSTJZSA-N 1 0 340.854 4.469 20 30 EIEDRO CC(C)[NH+]1CCC(Nc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000573600575 1033400597 /nfs/dbraw/zinc/40/05/97/1033400597.db2.gz JWWCOJFDHQRCIY-UHFFFAOYSA-N 1 0 328.847 4.045 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)c1ccc(C#N)cc1F ZINC000512610433 1033484439 /nfs/dbraw/zinc/48/44/39/1033484439.db2.gz BBTVWLXRYCJADM-JKSUJKDBSA-N 1 0 326.415 4.201 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(C#N)cc1F ZINC000512622862 1033546684 /nfs/dbraw/zinc/54/66/84/1033546684.db2.gz CKJIKTGGMZPGOE-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO CN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614176686 1033599429 /nfs/dbraw/zinc/59/94/29/1033599429.db2.gz ORLGYSSXZVMQNU-QFIPXVFZSA-N 1 0 347.506 4.194 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649504 1033604463 /nfs/dbraw/zinc/60/44/63/1033604463.db2.gz SGFNFMLVBGUXFL-VQIMIIECSA-N 1 0 337.442 4.013 20 30 EIEDRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614179941 1033606385 /nfs/dbraw/zinc/60/63/85/1033606385.db2.gz SMTMHMBHOOZYBZ-OAHLLOKOSA-N 1 0 338.451 4.356 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC000614179580 1033608186 /nfs/dbraw/zinc/60/81/86/1033608186.db2.gz SKYJROYKBDVISL-OWJWWREXSA-N 1 0 340.492 4.076 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000614183907 1033630575 /nfs/dbraw/zinc/63/05/75/1033630575.db2.gz NSRMCQZBKDHJNM-HXUWFJFHSA-N 1 0 338.426 4.280 20 30 EIEDRO CCc1cccc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433013163 1033639441 /nfs/dbraw/zinc/63/94/41/1033639441.db2.gz NNJDRZAQIKQANS-FQEVSTJZSA-N 1 0 335.451 4.212 20 30 EIEDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1F ZINC000512659388 1033646190 /nfs/dbraw/zinc/64/61/90/1033646190.db2.gz GKDDZQITHLQUGG-AWEZNQCLSA-N 1 0 341.386 4.279 20 30 EIEDRO COC(=O)c1ccc(F)c(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433018483 1033665061 /nfs/dbraw/zinc/66/50/61/1033665061.db2.gz HSTHGJYKPKSMHW-LJQANCHMSA-N 1 0 340.398 4.137 20 30 EIEDRO C[C@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667024 1033667144 /nfs/dbraw/zinc/66/71/44/1033667144.db2.gz NPHKPTKPOGHIPH-IRXDYDNUSA-N 1 0 339.458 4.259 20 30 EIEDRO CC(C)N(C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1 ZINC000433020371 1033667304 /nfs/dbraw/zinc/66/73/04/1033667304.db2.gz RSHYORSXPLYKPZ-NRFANRHFSA-N 1 0 349.478 4.453 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000433022230 1033680638 /nfs/dbraw/zinc/68/06/38/1033680638.db2.gz UHHYEOXIZFOIDW-UXHICEINSA-N 1 0 342.870 4.268 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccsc1 ZINC000512672788 1033682946 /nfs/dbraw/zinc/68/29/46/1033682946.db2.gz MLSJGNIIHDBQFR-AUUYWEPGSA-N 1 0 345.487 4.493 20 30 EIEDRO CCc1ccccc1NC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433024905 1033684156 /nfs/dbraw/zinc/68/41/56/1033684156.db2.gz ZTGZFDYBIFCYEV-LJQANCHMSA-N 1 0 335.451 4.212 20 30 EIEDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000512814374 1034007854 /nfs/dbraw/zinc/00/78/54/1034007854.db2.gz FKSLXGBIIUJRFJ-HXUWFJFHSA-N 1 0 341.886 4.384 20 30 EIEDRO N#CC1(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CCCCC1 ZINC000411716916 1034050399 /nfs/dbraw/zinc/05/03/99/1034050399.db2.gz HPRDXJXEAOIWQW-HKBOAZHASA-N 1 0 338.495 4.355 20 30 EIEDRO C[N@H+](CCOCCC#N)[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000549929501 1034782791 /nfs/dbraw/zinc/78/27/91/1034782791.db2.gz CYKPCBZUERPKDM-DLBZAZTESA-N 1 0 340.389 4.204 20 30 EIEDRO C=CCN(CC(F)(F)F)C(=O)c1ccc(C[N@@H+](CC)CCC)cc1 ZINC000509921492 1034850470 /nfs/dbraw/zinc/85/04/70/1034850470.db2.gz ALRJGVOMSVNVOD-UHFFFAOYSA-N 1 0 342.405 4.109 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000513384986 1034912962 /nfs/dbraw/zinc/91/29/62/1034912962.db2.gz RZMSLTZDSVXBBN-LJQANCHMSA-N 1 0 333.435 4.048 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182421823 1034942904 /nfs/dbraw/zinc/94/29/04/1034942904.db2.gz XMIIDEBMMYTIHS-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(Cl)c1 ZINC000182589488 1034970268 /nfs/dbraw/zinc/97/02/68/1034970268.db2.gz MPACGLHKPFKDQY-HNNXBMFYSA-N 1 0 347.871 4.343 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(Cl)c1 ZINC000182589504 1034971013 /nfs/dbraw/zinc/97/10/13/1034971013.db2.gz MPACGLHKPFKDQY-OAHLLOKOSA-N 1 0 347.871 4.343 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1cccc(Cl)c1 ZINC000182592373 1034971083 /nfs/dbraw/zinc/97/10/83/1034971083.db2.gz GNEYEOIXQYPXKB-MRXNPFEDSA-N 1 0 345.830 4.101 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc1 ZINC000434033848 1035071797 /nfs/dbraw/zinc/07/17/97/1035071797.db2.gz YNCKQMFGZHSWGG-LJQANCHMSA-N 1 0 341.499 4.073 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1cccc(C#N)c1 ZINC000279999716 1035127441 /nfs/dbraw/zinc/12/74/41/1035127441.db2.gz FWCVCGOVLNWHOT-NEPJUHHUSA-N 1 0 330.229 4.128 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000280168612 1035191704 /nfs/dbraw/zinc/19/17/04/1035191704.db2.gz FTKFHXMSXAHOMM-GMXABZIVSA-N 1 0 346.780 4.064 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccco1 ZINC000513702889 1035339899 /nfs/dbraw/zinc/33/98/99/1035339899.db2.gz OECIHNWNRUVREV-HXUWFJFHSA-N 1 0 348.446 4.287 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cc(Cl)ccc3F)CCOCC2)c1 ZINC000594982287 1035514602 /nfs/dbraw/zinc/51/46/02/1035514602.db2.gz BRISNAHOUBCGSQ-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO C[C@H]1C[C@@H](NCC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000594980937 1035514826 /nfs/dbraw/zinc/51/48/26/1035514826.db2.gz DLHUPDWPKPUONU-ICSRJNTNSA-N 1 0 325.500 4.103 20 30 EIEDRO Cc1cc(C)c(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1C ZINC000594984686 1035518486 /nfs/dbraw/zinc/51/84/86/1035518486.db2.gz QVHIQADZIOAUFY-UHFFFAOYSA-N 1 0 334.463 4.279 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)C2CCC(F)CC2)cc1OCCCC#N ZINC000594990995 1035520610 /nfs/dbraw/zinc/52/06/10/1035520610.db2.gz WZTOQZCUOYFWAG-ZLPCBKJTSA-N 1 0 348.462 4.384 20 30 EIEDRO CO[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000594997920 1035523137 /nfs/dbraw/zinc/52/31/37/1035523137.db2.gz RTPZUJYLZJKKBR-HXUWFJFHSA-N 1 0 330.472 4.054 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000595061164 1035539676 /nfs/dbraw/zinc/53/96/76/1035539676.db2.gz QKKJUNHVZFBAAF-WBVHZDCISA-N 1 0 339.870 4.389 20 30 EIEDRO C=CCCSCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)c2ccccc21 ZINC000595060583 1035541066 /nfs/dbraw/zinc/54/10/66/1035541066.db2.gz VZJJCPHXLALQLM-ZWKOTPCHSA-N 1 0 333.497 4.067 20 30 EIEDRO C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000595071863 1035556096 /nfs/dbraw/zinc/55/60/96/1035556096.db2.gz CDPBYQVABTWFFN-RYUDHWBXSA-N 1 0 334.341 4.094 20 30 EIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000485002045 1035585770 /nfs/dbraw/zinc/58/57/70/1035585770.db2.gz LUEIVMMYWZBHSV-GJZGRUSLSA-N 1 0 347.418 4.291 20 30 EIEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000595092222 1035597462 /nfs/dbraw/zinc/59/74/62/1035597462.db2.gz ZNHCJJRLQVOWLG-HOTGVXAUSA-N 1 0 330.472 4.259 20 30 EIEDRO CO[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCC1 ZINC000595095640 1035605934 /nfs/dbraw/zinc/60/59/34/1035605934.db2.gz SBRBRKGYQBTDME-KBWCOIMZSA-N 1 0 326.484 4.185 20 30 EIEDRO CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000595096899 1035606359 /nfs/dbraw/zinc/60/63/59/1035606359.db2.gz NWMMUTOBENPJNK-KPOBHBOGSA-N 1 0 326.415 4.106 20 30 EIEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C#N)c3ccccc3)C2)s1 ZINC000595477702 1035685916 /nfs/dbraw/zinc/68/59/16/1035685916.db2.gz SWKZSTLBJUWHFH-XLIONFOSSA-N 1 0 339.508 4.075 20 30 EIEDRO N#CC1(c2ccccn2)CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000595472298 1035686618 /nfs/dbraw/zinc/68/66/18/1035686618.db2.gz KGFUOKPBKCQNGC-LJQANCHMSA-N 1 0 331.463 4.059 20 30 EIEDRO COc1cccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1Cl ZINC000595560118 1035701626 /nfs/dbraw/zinc/70/16/26/1035701626.db2.gz COBZKAZRCZWFFT-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ncc(C(F)(F)F)s2)c1 ZINC000905078433 1035722196 /nfs/dbraw/zinc/72/21/96/1035722196.db2.gz RJCVDMHENWGVNH-SREVYHEPSA-N 1 0 340.370 4.120 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000046934539 1035729751 /nfs/dbraw/zinc/72/97/51/1035729751.db2.gz DZBYWFBMXYLBIS-INIZCTEOSA-N 1 0 333.435 4.042 20 30 EIEDRO N#CC[C@@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000595610710 1035751583 /nfs/dbraw/zinc/75/15/83/1035751583.db2.gz AGSFRPOMXYVRPE-KRWDZBQOSA-N 1 0 330.435 4.127 20 30 EIEDRO CC(C)[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1F ZINC000595688783 1035763469 /nfs/dbraw/zinc/76/34/69/1035763469.db2.gz ARILZRMMQHLQBQ-KUHUBIRLSA-N 1 0 339.414 4.011 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000513725131 1035763908 /nfs/dbraw/zinc/76/39/08/1035763908.db2.gz MQKDQLKPMZLIKU-UHFFFAOYSA-N 1 0 348.446 4.166 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](C4CCCCC4)C3)o2)c1 ZINC000595738928 1035777644 /nfs/dbraw/zinc/77/76/44/1035777644.db2.gz OLBDPIOGIQYRKP-SFHVURJKSA-N 1 0 336.439 4.010 20 30 EIEDRO Cc1cccc(CCC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000595764674 1035778892 /nfs/dbraw/zinc/77/88/92/1035778892.db2.gz KZCYNWLBMLSLAI-UHFFFAOYSA-N 1 0 334.463 4.095 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CCC3(C#N)CCCCC3)CCOCC2)c1 ZINC000595770311 1035779908 /nfs/dbraw/zinc/77/99/08/1035779908.db2.gz YAQLGFVUGMKASG-UHFFFAOYSA-N 1 0 337.467 4.018 20 30 EIEDRO CC[C@H](c1ccccc1)[N@H+](CC(=O)Nc1sccc1C#N)C(C)C ZINC000595849722 1035795613 /nfs/dbraw/zinc/79/56/13/1035795613.db2.gz DFIVNMBFPSIHNC-QGZVFWFLSA-N 1 0 341.480 4.420 20 30 EIEDRO C[C@@]1(C#N)CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595840234 1035800047 /nfs/dbraw/zinc/80/00/47/1035800047.db2.gz POPIMHWKDNFAFO-INIZCTEOSA-N 1 0 326.362 4.100 20 30 EIEDRO CC(C)CC1([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000595832264 1035800559 /nfs/dbraw/zinc/80/05/59/1035800559.db2.gz VLWCAEUERAVVSB-OAHLLOKOSA-N 1 0 345.512 4.045 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)c(F)c1 ZINC000595831279 1035800855 /nfs/dbraw/zinc/80/08/55/1035800855.db2.gz ZYTZXRQCDALYQI-UHFFFAOYSA-N 1 0 336.410 4.057 20 30 EIEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CCc4ccccc4O3)CC2)c1 ZINC000595828936 1035801631 /nfs/dbraw/zinc/80/16/31/1035801631.db2.gz NIJKWZZDPBXWQI-UHFFFAOYSA-N 1 0 336.410 4.057 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC3(CCc4ccccc4O3)CC2)ccc1F ZINC000595829411 1035801832 /nfs/dbraw/zinc/80/18/32/1035801832.db2.gz TZZZYHDJXAPGTR-UHFFFAOYSA-N 1 0 336.410 4.057 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cn1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000595869058 1035804435 /nfs/dbraw/zinc/80/44/35/1035804435.db2.gz UBTXJBUKPGNDHY-CQSZACIVSA-N 1 0 347.384 4.425 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc4occc4c3)CC2)cc1 ZINC000586776490 1035833822 /nfs/dbraw/zinc/83/38/22/1035833822.db2.gz PCFAZVZAMVAJHF-UHFFFAOYSA-N 1 0 331.419 4.063 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]CCCCc3ccccc3)CC2)cc1 ZINC000586788418 1035847754 /nfs/dbraw/zinc/84/77/54/1035847754.db2.gz MUONJGWULHKFGP-UHFFFAOYSA-N 1 0 333.479 4.140 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000613242567 1035873560 /nfs/dbraw/zinc/87/35/60/1035873560.db2.gz DQVDQUDEFUAUPB-BAGYTPMASA-N 1 0 332.447 4.446 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000054990620 1035877118 /nfs/dbraw/zinc/87/71/18/1035877118.db2.gz VVGQFFAFQUUXPQ-NRFANRHFSA-N 1 0 349.478 4.310 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000485455755 1035885204 /nfs/dbraw/zinc/88/52/04/1035885204.db2.gz PAHWZLYNAQDVFH-QGZVFWFLSA-N 1 0 346.540 4.207 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000414483045 1035898994 /nfs/dbraw/zinc/89/89/94/1035898994.db2.gz YSOCGMOPIXYCBG-UHFFFAOYSA-N 1 0 330.497 4.231 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000485471312 1035921235 /nfs/dbraw/zinc/92/12/35/1035921235.db2.gz YTFLBUJQTQGFGD-IAGOWNOFSA-N 1 0 346.540 4.063 20 30 EIEDRO CCOc1cc2c(cc1C[NH2+][C@@H]1CCc3ccc(C#N)cc31)O[C@H](C)C2 ZINC000571091930 1035940863 /nfs/dbraw/zinc/94/08/63/1035940863.db2.gz IHOUPQJVPBNLLK-JLTOFOAXSA-N 1 0 348.446 4.057 20 30 EIEDRO C[NH+](C)Cc1cc(-c2cccc(C3(C#N)CCOCC3)c2)ccc1F ZINC000596646779 1035956325 /nfs/dbraw/zinc/95/63/25/1035956325.db2.gz NYSFAIQBBSYXGM-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000421023031 1036000060 /nfs/dbraw/zinc/00/00/60/1036000060.db2.gz QRNNHUNFIIGQMH-LJQANCHMSA-N 1 0 326.484 4.355 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC000571254121 1036012030 /nfs/dbraw/zinc/01/20/30/1036012030.db2.gz XSZQTCQVVFMHQO-HXUWFJFHSA-N 1 0 333.435 4.114 20 30 EIEDRO O[C@@H](C[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1)c1cccs1 ZINC000156558889 1036037749 /nfs/dbraw/zinc/03/77/49/1036037749.db2.gz FSATWHNUMKJGQU-MSOLQXFVSA-N 1 0 345.895 4.341 20 30 EIEDRO C[C@@H](Cc1ccsc1)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000571447937 1036045798 /nfs/dbraw/zinc/04/57/98/1036045798.db2.gz KHPMTSGLBYVNOG-AWEZNQCLSA-N 1 0 344.455 4.233 20 30 EIEDRO C[C@H](O)[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1F ZINC000571453566 1036047823 /nfs/dbraw/zinc/04/78/23/1036047823.db2.gz XUZPVGGDCUXKAE-SZFUDVHCSA-N 1 0 338.426 4.177 20 30 EIEDRO COc1ccc(C2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)CC2)nc1 ZINC000597158566 1036132349 /nfs/dbraw/zinc/13/23/49/1036132349.db2.gz QTGMREANEHPJLF-UHFFFAOYSA-N 1 0 347.462 4.025 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597175419 1036140146 /nfs/dbraw/zinc/14/01/46/1036140146.db2.gz ZBZJKJNNAIJIQI-CQSZACIVSA-N 1 0 341.436 4.449 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000597187196 1036153373 /nfs/dbraw/zinc/15/33/73/1036153373.db2.gz LZCBIHCAQKXFGX-KRWDZBQOSA-N 1 0 328.456 4.166 20 30 EIEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H](CCF)C2)c(-c2ccccc2)n1 ZINC000597212802 1036156174 /nfs/dbraw/zinc/15/61/74/1036156174.db2.gz ZQVYLGVDMKKLIL-KRWDZBQOSA-N 1 0 340.446 4.035 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)CC1CCCCC1 ZINC000060495672 1036159245 /nfs/dbraw/zinc/15/92/45/1036159245.db2.gz RLBNFPLNHITTEV-UHFFFAOYSA-N 1 0 333.501 4.241 20 30 EIEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000138814113 1036170647 /nfs/dbraw/zinc/17/06/47/1036170647.db2.gz YYEGWRCOHDCOIT-KRWDZBQOSA-N 1 0 349.478 4.003 20 30 EIEDRO N#CCCCCCC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601725620 1036228131 /nfs/dbraw/zinc/22/81/31/1036228131.db2.gz AUUXLMBRNUOTJC-HXUWFJFHSA-N 1 0 341.499 4.021 20 30 EIEDRO C=CCC1([NH2+][C@H](C)CC(=O)Nc2ccc(C(C)C)cc2)CCOCC1 ZINC000668552703 1036283619 /nfs/dbraw/zinc/28/36/19/1036283619.db2.gz RQIOQCIVCUKQQE-QGZVFWFLSA-N 1 0 344.499 4.242 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421345778 1036288417 /nfs/dbraw/zinc/28/84/17/1036288417.db2.gz BDOWZBFWMNAFEM-CQSZACIVSA-N 1 0 341.480 4.250 20 30 EIEDRO N#Cc1ccc(C2=CCN(Cc3nc4cc(F)ccc4o3)CC2)cc1 ZINC000502528087 1036293110 /nfs/dbraw/zinc/29/31/10/1036293110.db2.gz IWAXAFMXUAIHJW-UHFFFAOYSA-N 1 0 333.366 4.128 20 30 EIEDRO COC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC(c2ccccc2)CC1 ZINC000588231174 1036306704 /nfs/dbraw/zinc/30/67/04/1036306704.db2.gz HRGUDGKJQLHTHY-AFVILVPDSA-N 1 0 326.484 4.401 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NCc2cccc(F)c2C#N)CC1 ZINC000602006436 1036309382 /nfs/dbraw/zinc/30/93/82/1036309382.db2.gz KPLUZWIVEGWWSD-MRXNPFEDSA-N 1 0 337.442 4.013 20 30 EIEDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)ccn1 ZINC000421369461 1036314195 /nfs/dbraw/zinc/31/41/95/1036314195.db2.gz VRMYICGBJMTMGU-OAHLLOKOSA-N 1 0 341.430 4.196 20 30 EIEDRO CCN(C(=O)CCCCCC#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000588648166 1036389391 /nfs/dbraw/zinc/38/93/91/1036389391.db2.gz CJQGHXHOCHDZNX-AZUAARDMSA-N 1 0 341.499 4.144 20 30 EIEDRO C[C@@H](CCC#N)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000602450616 1036449035 /nfs/dbraw/zinc/44/90/35/1036449035.db2.gz CJRVVXRRXUXBAO-HNNXBMFYSA-N 1 0 328.435 4.020 20 30 EIEDRO C[C@H](CCC#N)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000602457312 1036453628 /nfs/dbraw/zinc/45/36/28/1036453628.db2.gz FSHXVOLDDFBYDI-OAHLLOKOSA-N 1 0 329.419 4.285 20 30 EIEDRO C[C@H](CCC#N)C[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000602479133 1036462434 /nfs/dbraw/zinc/46/24/34/1036462434.db2.gz FTYKHIWRKGMZGY-LLVKDONJSA-N 1 0 327.291 4.415 20 30 EIEDRO CC1CCN([C@@H](C[NH2+]C2CCC(C#N)CC2)c2cccs2)CC1 ZINC000602498022 1036471133 /nfs/dbraw/zinc/47/11/33/1036471133.db2.gz GCZJJGXQUGKQKY-ABHNRTSZSA-N 1 0 331.529 4.193 20 30 EIEDRO CCOc1ccc(Oc2cc(C[NH2+]C[C@@H](C)CCC#N)ccn2)cc1 ZINC000602517266 1036473185 /nfs/dbraw/zinc/47/31/85/1036473185.db2.gz DWXGOYHGRZLZDZ-INIZCTEOSA-N 1 0 339.439 4.302 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000602517997 1036474878 /nfs/dbraw/zinc/47/48/78/1036474878.db2.gz JDLMVJPWWUVACS-HNNXBMFYSA-N 1 0 334.891 4.306 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(Cl)c1Cl ZINC000602523328 1036479747 /nfs/dbraw/zinc/47/97/47/1036479747.db2.gz AYEOWYWBVFFRQL-GFCCVEGCSA-N 1 0 327.255 4.182 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000602523446 1036481221 /nfs/dbraw/zinc/48/12/21/1036481221.db2.gz COVWZLQMLGNNMG-MRXNPFEDSA-N 1 0 327.472 4.235 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CCC#N)cc1Br ZINC000602512656 1036487068 /nfs/dbraw/zinc/48/70/68/1036487068.db2.gz LOBXYVYMBIQQOY-VXGBXAGGSA-N 1 0 325.250 4.048 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]CCCc1ccc(Br)cc1F ZINC000602547449 1036489012 /nfs/dbraw/zinc/48/90/12/1036489012.db2.gz POXHODJGRGZKPY-GFCCVEGCSA-N 1 0 327.241 4.050 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(F)c(Br)c1 ZINC000602547460 1036490893 /nfs/dbraw/zinc/49/08/93/1036490893.db2.gz YXGXXEGELZIGNT-XSRFYTQQSA-N 1 0 325.225 4.321 20 30 EIEDRO CC(C)CCOc1ccccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602529435 1036492350 /nfs/dbraw/zinc/49/23/50/1036492350.db2.gz UXFNYHBQYDTNRW-GOSISDBHSA-N 1 0 344.499 4.300 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000602600572 1036506525 /nfs/dbraw/zinc/50/65/25/1036506525.db2.gz OSSBYZZSRRGUNC-BBRMVZONSA-N 1 0 326.362 4.019 20 30 EIEDRO Cc1ccc(C[NH2+]C2CCC(C#N)CC2)c(OCC(F)(F)F)c1 ZINC000602576375 1036507753 /nfs/dbraw/zinc/50/77/53/1036507753.db2.gz MJLNHSUMSVPVEP-UHFFFAOYSA-N 1 0 326.362 4.108 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000602601323 1036509551 /nfs/dbraw/zinc/50/95/51/1036509551.db2.gz KLGRERDYIWSJRR-OXJNMPFZSA-N 1 0 342.458 4.450 20 30 EIEDRO CN1CC[C@H](C[NH2+]C2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000602578932 1036510696 /nfs/dbraw/zinc/51/06/96/1036510696.db2.gz PWXKAITYDHMZPM-ISYHKPAGSA-N 1 0 349.881 4.144 20 30 EIEDRO COc1ccc([C@H]([NH2+]C[C@H](C)CCC#N)c2ccccc2OC)cc1 ZINC000602580265 1036510845 /nfs/dbraw/zinc/51/08/45/1036510845.db2.gz FRVJPGWRGCSIIP-IERDGZPVSA-N 1 0 338.451 4.323 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)Cc1cc(Br)ccc1F ZINC000602581334 1036510963 /nfs/dbraw/zinc/51/09/63/1036510963.db2.gz IBQSOWQQXBJVCR-VXGBXAGGSA-N 1 0 327.241 4.049 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000602645929 1036536165 /nfs/dbraw/zinc/53/61/65/1036536165.db2.gz VHLLDNCYULZFNO-AYBZRNKSSA-N 1 0 330.447 4.150 20 30 EIEDRO N#CC1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000602660220 1036557554 /nfs/dbraw/zinc/55/75/54/1036557554.db2.gz AOXOGMGNWIIGIR-TZDAIYRESA-N 1 0 327.255 4.089 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000602691162 1036562100 /nfs/dbraw/zinc/56/21/00/1036562100.db2.gz NLOAQIGVKWLIMC-QXAKKESOSA-N 1 0 326.484 4.115 20 30 EIEDRO N#CC1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000602701573 1036578671 /nfs/dbraw/zinc/57/86/71/1036578671.db2.gz USUMWQHLFOMTHO-PESDSKBTSA-N 1 0 327.859 4.351 20 30 EIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC000602706539 1036582082 /nfs/dbraw/zinc/58/20/82/1036582082.db2.gz PYNBAQLWJLFQFJ-GMAHTHKFSA-N 1 0 345.490 4.058 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000602733981 1036599184 /nfs/dbraw/zinc/59/91/84/1036599184.db2.gz ZRCPSLMTVQHDPF-SFTDATJTSA-N 1 0 334.463 4.186 20 30 EIEDRO N#CCC1(C[NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)CC1 ZINC000602801490 1036625649 /nfs/dbraw/zinc/62/56/49/1036625649.db2.gz DWQJILWXMHWBAH-IBGZPJMESA-N 1 0 348.425 4.200 20 30 EIEDRO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893779 1036662272 /nfs/dbraw/zinc/66/22/72/1036662272.db2.gz GVNIMFPXYYCYRG-OAHLLOKOSA-N 1 0 346.434 4.337 20 30 EIEDRO Cc1n[nH]cc1C[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000602938935 1036676584 /nfs/dbraw/zinc/67/65/84/1036676584.db2.gz ADBHEZANUIVBBH-UHFFFAOYSA-N 1 0 344.462 4.050 20 30 EIEDRO COc1ccc(CC[N@H+](Cc2ccc(C#N)o2)Cc2ccccc2)cc1 ZINC000513755903 1036696721 /nfs/dbraw/zinc/69/67/21/1036696721.db2.gz UWKSSANIFGMTAS-UHFFFAOYSA-N 1 0 346.430 4.405 20 30 EIEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1F ZINC000598604003 1036704616 /nfs/dbraw/zinc/70/46/16/1036704616.db2.gz NJBNOFHAJBPZMF-XJKSGUPXSA-N 1 0 326.843 4.067 20 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ZINC000589343351 1036741651 /nfs/dbraw/zinc/74/16/51/1036741651.db2.gz SBPNDXZKGOQUEV-UNMCSNQZSA-N 1 0 334.463 4.173 20 30 EIEDRO COC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000589343278 1036742381 /nfs/dbraw/zinc/74/23/81/1036742381.db2.gz HFXIGNZXKPIFJH-OALUTQOASA-N 1 0 326.827 4.176 20 30 EIEDRO CC(=O)N1CC[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)c2ccccc21 ZINC000598679731 1036745906 /nfs/dbraw/zinc/74/59/06/1036745906.db2.gz LVTPSCLMKFKLNI-FQEVSTJZSA-N 1 0 345.446 4.025 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000598704841 1036753230 /nfs/dbraw/zinc/75/32/30/1036753230.db2.gz VFXMQCYIHXIMIL-HXUWFJFHSA-N 1 0 336.479 4.099 20 30 EIEDRO CC(C)c1[nH+]c(CN[C@H]2CCc3cc(C#N)ccc32)c2ccccn21 ZINC000593622505 1036787389 /nfs/dbraw/zinc/78/73/89/1036787389.db2.gz YGPSJGWTBUYFAW-SFHVURJKSA-N 1 0 330.435 4.106 20 30 EIEDRO N#CCCC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000572644481 1036804147 /nfs/dbraw/zinc/80/41/47/1036804147.db2.gz DORKALUQACLNJO-UHFFFAOYSA-N 1 0 328.847 4.041 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C/C=C/c3ccc(F)cc3)CCOCC2)cc1 ZINC000599002334 1036842341 /nfs/dbraw/zinc/84/23/41/1036842341.db2.gz PSNNOLWBOBUULA-OWOJBTEDSA-N 1 0 336.410 4.006 20 30 EIEDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1F ZINC000598997107 1036848359 /nfs/dbraw/zinc/84/83/59/1036848359.db2.gz VWTZWAUZWGTXDR-UHFFFAOYSA-N 1 0 338.426 4.414 20 30 EIEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)c1 ZINC000486795438 1036858133 /nfs/dbraw/zinc/85/81/33/1036858133.db2.gz COQLFUCTGUVCQT-FQEVSTJZSA-N 1 0 336.435 4.221 20 30 EIEDRO CC[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000503003499 1036869145 /nfs/dbraw/zinc/86/91/45/1036869145.db2.gz GLAJPQYZEUWJAI-IBGZPJMESA-N 1 0 333.479 4.310 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000589740565 1036869918 /nfs/dbraw/zinc/86/99/18/1036869918.db2.gz YSLUCJCZICJZMH-UHFFFAOYSA-N 1 0 345.487 4.029 20 30 EIEDRO N#Cc1c(F)cccc1CN1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000589820922 1036882466 /nfs/dbraw/zinc/88/24/66/1036882466.db2.gz ICUVKFZPUDWEQH-UHFFFAOYSA-N 1 0 331.394 4.468 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)s1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503046501 1036885127 /nfs/dbraw/zinc/88/51/27/1036885127.db2.gz ZZVPPLQUHFCGPR-HNNXBMFYSA-N 1 0 341.480 4.249 20 30 EIEDRO CC1(C)CCC[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593692375 1036891865 /nfs/dbraw/zinc/89/18/65/1036891865.db2.gz DVYHXBYIXQYOGR-HXUWFJFHSA-N 1 0 325.500 4.081 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cccc(C4CC4)c3)CC2)c1 ZINC000593692083 1036896467 /nfs/dbraw/zinc/89/64/67/1036896467.db2.gz ZGXYASOMTOQYSL-UHFFFAOYSA-N 1 0 345.490 4.190 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H]1OCCc2sccc21 ZINC000589949227 1036898291 /nfs/dbraw/zinc/89/82/91/1036898291.db2.gz VTPJFGMEAGVBEO-GMVOTWDCSA-N 1 0 338.476 4.289 20 30 EIEDRO CC(C)(C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593693381 1036899338 /nfs/dbraw/zinc/89/93/38/1036899338.db2.gz WXIYOSFFJLAZDO-UHFFFAOYSA-N 1 0 347.506 4.090 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H](C4CC4)C3)CC2)c1 ZINC000593702265 1036907269 /nfs/dbraw/zinc/90/72/69/1036907269.db2.gz KVNRFKGAHIRTGQ-IFMALSPDSA-N 1 0 337.511 4.081 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@H](C)c1ccccc1 ZINC000593702349 1036907573 /nfs/dbraw/zinc/90/75/73/1036907573.db2.gz LSWHCEIOIDXESL-RBUKOAKNSA-N 1 0 347.506 4.304 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000593708399 1036922278 /nfs/dbraw/zinc/92/22/78/1036922278.db2.gz OYDGWOWMUPUKSX-INIZCTEOSA-N 1 0 342.483 4.285 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000590019597 1036925657 /nfs/dbraw/zinc/92/56/57/1036925657.db2.gz SWNCPPQQNKQXNU-UHFFFAOYSA-N 1 0 337.423 4.421 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(=O)Nc1ccccc1 ZINC000271531613 1036935415 /nfs/dbraw/zinc/93/54/15/1036935415.db2.gz WTNQRGNSSMYZBH-FEPNQTLGSA-N 1 0 347.462 4.007 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@H](C3CC3)C3CCCC3)CC2)c1 ZINC000593725973 1036943131 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N#Cc1cc2c(nc1NCc1ccccc1C[NH+]1CCCCC1)CCC2 ZINC000603844236 1037038561 /nfs/dbraw/zinc/03/85/61/1037038561.db2.gz BNSOUTFZNREEJJ-UHFFFAOYSA-N 1 0 346.478 4.040 20 30 EIEDRO Cc1csc(C2(N[C@H](C)c3ccc(OCC#N)cc3)CCC2)n1 ZINC000271929397 1037055892 /nfs/dbraw/zinc/05/58/92/1037055892.db2.gz CZXNLQWRSMUPFT-CQSZACIVSA-N 1 0 327.453 4.084 20 30 EIEDRO CN(C)C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000599628365 1037100969 /nfs/dbraw/zinc/10/09/69/1037100969.db2.gz RWTYXNPLSCOHEW-OAHLLOKOSA-N 1 0 328.287 4.126 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1cc(C)ccc1C ZINC000599640591 1037106420 /nfs/dbraw/zinc/10/64/20/1037106420.db2.gz KHUQYXLRJFQDJU-APWZRJJASA-N 1 0 335.451 4.243 20 30 EIEDRO C[C@H](CC[N@@H+]1CCc2c(CC#N)cccc2C1)OCc1ccccc1 ZINC000599678501 1037131010 /nfs/dbraw/zinc/13/10/10/1037131010.db2.gz RXHZQPLPPKDUOF-GOSISDBHSA-N 1 0 334.463 4.106 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000590653790 1037132779 /nfs/dbraw/zinc/13/27/79/1037132779.db2.gz UXDNIGFMFDVSSH-HOTGVXAUSA-N 1 0 328.337 4.240 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000590750791 1037154038 /nfs/dbraw/zinc/15/40/38/1037154038.db2.gz ZIXULNSQSASVHT-AQNXPRMDSA-N 1 0 326.484 4.003 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000590750794 1037154267 /nfs/dbraw/zinc/15/42/67/1037154267.db2.gz ZIXULNSQSASVHT-ZCNNSNEGSA-N 1 0 326.484 4.003 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000590762792 1037156317 /nfs/dbraw/zinc/15/63/17/1037156317.db2.gz KCIJKUJLWSGJHP-GOSISDBHSA-N 1 0 349.261 4.171 20 30 EIEDRO CCOc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc(Cl)c1O ZINC000590957305 1037212533 /nfs/dbraw/zinc/21/25/33/1037212533.db2.gz BETYKEOAENLITI-GFCCVEGCSA-N 1 0 330.815 4.167 20 30 EIEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(C)c1OCc1ccccn1 ZINC000272549556 1037221120 /nfs/dbraw/zinc/22/11/20/1037221120.db2.gz QXWCLNARXLQYDZ-UHFFFAOYSA-N 1 0 349.478 4.403 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(Nc3cccc(OCC#N)c3)CC2)C1 ZINC000272862956 1037316168 /nfs/dbraw/zinc/31/61/68/1037316168.db2.gz KXGRCPDVSSZCKH-LPHOPBHVSA-N 1 0 327.472 4.044 20 30 EIEDRO C=C(C)COc1cc(CNC2CC[NH+](CCCC)CC2)ccc1OC ZINC000057969786 1037350832 /nfs/dbraw/zinc/35/08/32/1037350832.db2.gz SMSLLAFZSLLJMG-UHFFFAOYSA-N 1 0 346.515 4.004 20 30 EIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC000093492376 1037361752 /nfs/dbraw/zinc/36/17/52/1037361752.db2.gz WQIHBVKYXSJWDO-LLVKDONJSA-N 1 0 335.270 4.103 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000591348975 1037390017 /nfs/dbraw/zinc/39/00/17/1037390017.db2.gz VEJIZOSBIZKPNR-YVEFUNNKSA-N 1 0 333.391 4.133 20 30 EIEDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000171563331 1037486642 /nfs/dbraw/zinc/48/66/42/1037486642.db2.gz SXLUMYKIUFRALW-ROUUACIJSA-N 1 0 338.451 4.151 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000591581303 1037505240 /nfs/dbraw/zinc/50/52/40/1037505240.db2.gz NPEMRYNABFOYLR-XZOQPEGZSA-N 1 0 341.458 4.378 20 30 EIEDRO CC[C@H](C)[N@H+](CC(=O)N(CCC#N)c1ccccc1)Cc1ccccc1 ZINC000061759852 1037526160 /nfs/dbraw/zinc/52/61/60/1037526160.db2.gz IHURGQGQLHZEJK-IBGZPJMESA-N 1 0 349.478 4.234 20 30 EIEDRO C=CCC(C)(C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000488325772 1037528153 /nfs/dbraw/zinc/52/81/53/1037528153.db2.gz PMRWCSOCHKWUFV-MJGOQNOKSA-N 1 0 328.500 4.006 20 30 EIEDRO CSc1ccc([C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N(C)C)cc1 ZINC000573510767 1037574529 /nfs/dbraw/zinc/57/45/29/1037574529.db2.gz WFWJUVXSQLBNCJ-YWZLYKJASA-N 1 0 339.508 4.234 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(C)c1C)C(C)C ZINC000503442694 1037769800 /nfs/dbraw/zinc/76/98/00/1037769800.db2.gz SYAIKTWTPSUSJH-LJQANCHMSA-N 1 0 329.488 4.124 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=S)Nc1cc(C)ccc1C)C(C)C ZINC000911613797 1037784548 /nfs/dbraw/zinc/78/45/48/1037784548.db2.gz HAZUGRCMFSQTBF-LJQANCHMSA-N 1 0 345.556 4.288 20 30 EIEDRO COCCCCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000058475375 1037788963 /nfs/dbraw/zinc/78/89/63/1037788963.db2.gz CAHLXEFYFAFMGZ-UHFFFAOYSA-N 1 0 338.451 4.044 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)c2cccc(Br)c21 ZINC000783300220 1037793283 /nfs/dbraw/zinc/79/32/83/1037793283.db2.gz KRLCASLUWFJLJE-BDJLRTHQSA-N 1 0 342.240 4.054 20 30 EIEDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000592381061 1037794094 /nfs/dbraw/zinc/79/40/94/1037794094.db2.gz ZYVKFEVDONEMSM-YWZLYKJASA-N 1 0 338.476 4.121 20 30 EIEDRO C=CCN(CC=C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000503688478 1037868240 /nfs/dbraw/zinc/86/82/40/1037868240.db2.gz HPKIYBXVFSRBKD-SFHVURJKSA-N 1 0 341.499 4.034 20 30 EIEDRO C=C1CCC(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC001127209094 1037883901 /nfs/dbraw/zinc/88/39/01/1037883901.db2.gz RXTDUIJVPUDSRG-ICSRJNTNSA-N 1 0 340.511 4.150 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](CCCc3cccc(F)c3)CC2)cc1 ZINC000489154060 1037885418 /nfs/dbraw/zinc/88/54/18/1037885418.db2.gz OSFFRHXLOKDXAJ-UHFFFAOYSA-N 1 0 338.426 4.173 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC000593011875 1037892217 /nfs/dbraw/zinc/89/22/17/1037892217.db2.gz MVMBKQYUHLDXNK-OAHLLOKOSA-N 1 0 341.798 4.109 20 30 EIEDRO CC(C)Oc1ccc(CC#N)cc1-c1ccc(C[NH+](C)C)c(F)c1 ZINC000592987429 1037896666 /nfs/dbraw/zinc/89/66/66/1037896666.db2.gz SIIOGSKWVIWFGX-UHFFFAOYSA-N 1 0 326.415 4.408 20 30 EIEDRO C=CCC[C@H]([NH2+]CCc1nc2cc(F)ccc2n1C)c1ccco1 ZINC000574062018 1037917709 /nfs/dbraw/zinc/91/77/09/1037917709.db2.gz DBXMHEPEVYPMQG-HNNXBMFYSA-N 1 0 327.403 4.145 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(C#N)cc3F)C2)cc1F ZINC000503853356 1037941206 /nfs/dbraw/zinc/94/12/06/1037941206.db2.gz CNBUZVVVYLQBEG-RCBQFDQVSA-N 1 0 342.389 4.442 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](CCO)c1ccccc1F ZINC000592403300 1038002872 /nfs/dbraw/zinc/00/28/72/1038002872.db2.gz OCEZBVBNJSXMGN-RTWAWAEBSA-N 1 0 338.426 4.178 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cccc4ccoc43)CC2)nc1 ZINC000574245182 1038052467 /nfs/dbraw/zinc/05/24/67/1038052467.db2.gz UYHNJVCLAIWPFY-UHFFFAOYSA-N 1 0 347.418 4.179 20 30 EIEDRO CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000423235045 1038054206 /nfs/dbraw/zinc/05/42/06/1038054206.db2.gz GDYFYTSPIWKXGJ-VLIAUNLRSA-N 1 0 325.431 4.171 20 30 EIEDRO CC(C)(C)OC(=O)[C@](C)(C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000593681446 1038124724 /nfs/dbraw/zinc/12/47/24/1038124724.db2.gz XSCGUQNHVSDJQJ-OAQYLSRUSA-N 1 0 344.499 4.206 20 30 EIEDRO COc1ccc([C@H]([NH2+]CC2CCC(C#N)CC2)c2ccccn2)cc1 ZINC000593713074 1038135920 /nfs/dbraw/zinc/13/59/20/1038135920.db2.gz SMABIHOFXYBCNU-BPZDKFOGSA-N 1 0 335.451 4.099 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019515 1038211314 /nfs/dbraw/zinc/21/13/14/1038211314.db2.gz NLSFTVREDHKENT-MRXNPFEDSA-N 1 0 342.446 4.442 20 30 EIEDRO Fc1ccc2c(c1)CC[C@@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C2 ZINC001168422114 1038221617 /nfs/dbraw/zinc/22/16/17/1038221617.db2.gz VIUNXJDMSBTKMZ-GFCCVEGCSA-N 1 0 343.286 4.404 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000489913467 1038283667 /nfs/dbraw/zinc/28/36/67/1038283667.db2.gz YNKRGXHTQXFAIP-MRUHUIDDSA-N 1 0 337.442 4.011 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000606969037 1038326090 /nfs/dbraw/zinc/32/60/90/1038326090.db2.gz TVNRPGGVUPVVDM-SFHVURJKSA-N 1 0 347.503 4.194 20 30 EIEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](CC1CCCCC1)c1ccccc1 ZINC000594440423 1038335048 /nfs/dbraw/zinc/33/50/48/1038335048.db2.gz ZDRTYVYNBVZUOU-UXHICEINSA-N 1 0 341.499 4.226 20 30 EIEDRO CC(C)c1ccc([C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594426769 1038340166 /nfs/dbraw/zinc/34/01/66/1038340166.db2.gz RWYGJRMNFLFXMB-RTBURBONSA-N 1 0 329.488 4.035 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2COc3c2cccc3Cl)cc1 ZINC000594497899 1038345348 /nfs/dbraw/zinc/34/53/48/1038345348.db2.gz KVTSLDGKXZCYKJ-QGZVFWFLSA-N 1 0 326.827 4.364 20 30 EIEDRO CCCCCn1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c(C)n1 ZINC000594500117 1038348306 /nfs/dbraw/zinc/34/83/06/1038348306.db2.gz LDZDLTKFOWVICO-UHFFFAOYSA-N 1 0 338.499 4.473 20 30 EIEDRO COc1ccc(C[NH+](C)C)cc1NCc1ccc(C(C)(C)C#N)cc1 ZINC000594505775 1038351457 /nfs/dbraw/zinc/35/14/57/1038351457.db2.gz YWYWOHMOSIBBHD-UHFFFAOYSA-N 1 0 337.467 4.170 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000594512880 1038357433 /nfs/dbraw/zinc/35/74/33/1038357433.db2.gz SJYHPYIMBMMVAZ-PWAJEDTMSA-N 1 0 338.495 4.328 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCC(F)(F)CC1 ZINC000594516087 1038357680 /nfs/dbraw/zinc/35/76/80/1038357680.db2.gz AXAJVZMBBKOMNG-OAHLLOKOSA-N 1 0 347.453 4.331 20 30 EIEDRO Cn1c2ccccc2nc1CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594516270 1038357971 /nfs/dbraw/zinc/35/79/71/1038357971.db2.gz XMMHTRIUEFUDAZ-UHFFFAOYSA-N 1 0 346.478 4.097 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C3CCN(c4ccccc4)CC3)CCC2)cc1 ZINC000594515628 1038359239 /nfs/dbraw/zinc/35/92/39/1038359239.db2.gz OSVDPSBNFXYWAD-UHFFFAOYSA-N 1 0 331.463 4.196 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594516419 1038359368 /nfs/dbraw/zinc/35/93/68/1038359368.db2.gz QJBMUHFSNIXLMA-VBNZEHGJSA-N 1 0 348.512 4.102 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000594519302 1038360340 /nfs/dbraw/zinc/36/03/40/1038360340.db2.gz JODGBJKEWSYIMX-KBWCOIMZSA-N 1 0 338.495 4.472 20 30 EIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594519171 1038360356 /nfs/dbraw/zinc/36/03/56/1038360356.db2.gz UVIHYCGRXYEDBU-LJQANCHMSA-N 1 0 336.410 4.362 20 30 EIEDRO COc1cc(C)c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1OC ZINC000594519443 1038362000 /nfs/dbraw/zinc/36/20/00/1038362000.db2.gz KUDXWSDGGRCCNC-UHFFFAOYSA-N 1 0 336.435 4.053 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000594616246 1038383325 /nfs/dbraw/zinc/38/33/25/1038383325.db2.gz UIZZMROGPIQMGO-DLBZAZTESA-N 1 0 338.373 4.014 20 30 EIEDRO CCN(Cc1ccccc1C#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000063510807 1038410002 /nfs/dbraw/zinc/41/00/02/1038410002.db2.gz ZJNSXWNZUYZQQN-XMSQKQJNSA-N 1 0 333.479 4.216 20 30 EIEDRO C[C@H](COc1ccc(F)cc1F)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594916908 1038426232 /nfs/dbraw/zinc/42/62/32/1038426232.db2.gz CPVSWHCCNVYZAM-CQSZACIVSA-N 1 0 342.389 4.077 20 30 EIEDRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c2c1 ZINC000594927109 1038428601 /nfs/dbraw/zinc/42/86/01/1038428601.db2.gz UUESVHNSHPGNDP-UHFFFAOYSA-N 1 0 345.446 4.064 20 30 EIEDRO COc1ccc(C[N@@H+](Cc2ccc(C#N)s2)CC2CC2)c(OC)c1 ZINC000504582150 1038430569 /nfs/dbraw/zinc/43/05/69/1038430569.db2.gz JFTKKFBQKAETOT-UHFFFAOYSA-N 1 0 342.464 4.049 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)CCc2ccc(C)o2)cc(OC)c1O ZINC000608065151 1038473822 /nfs/dbraw/zinc/47/38/22/1038473822.db2.gz UNZMDNSPVRMCQW-CQSZACIVSA-N 1 0 329.440 4.142 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)cc1 ZINC000594975458 1038484503 /nfs/dbraw/zinc/48/45/03/1038484503.db2.gz VLSCJSZGDYKNAF-FPOVZHCZSA-N 1 0 334.463 4.150 20 30 EIEDRO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000594941915 1038500001 /nfs/dbraw/zinc/50/00/01/1038500001.db2.gz CCKXTNFPDRFVEV-VQTJNVASSA-N 1 0 326.484 4.315 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000594944732 1038513401 /nfs/dbraw/zinc/51/34/01/1038513401.db2.gz VPOAVBVZBRMARB-IBGZPJMESA-N 1 0 336.410 4.384 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H]1OCCc2sccc21 ZINC000594945750 1038523137 /nfs/dbraw/zinc/52/31/37/1038523137.db2.gz WUCRANJESXXHPP-AUUYWEPGSA-N 1 0 338.476 4.095 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1OCc1ccccc1 ZINC000424187167 1038728716 /nfs/dbraw/zinc/72/87/16/1038728716.db2.gz AFAJWHDOMAVEAF-PKOBYXMFSA-N 1 0 336.435 4.056 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000424203625 1038737019 /nfs/dbraw/zinc/73/70/19/1038737019.db2.gz ULKVMLLXOFFXRR-GXTWGEPZSA-N 1 0 327.409 4.105 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000424290066 1038769258 /nfs/dbraw/zinc/76/92/58/1038769258.db2.gz AYIYICPXHKKYDK-MMOPVJDHSA-N 1 0 339.483 4.039 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000424296444 1038771288 /nfs/dbraw/zinc/77/12/88/1038771288.db2.gz ONPJYELIAPKRRR-RBOXIYTFSA-N 1 0 334.510 4.422 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000424299201 1038774239 /nfs/dbraw/zinc/77/42/39/1038774239.db2.gz VBGVQMBYADRLRZ-JQFCIGGWSA-N 1 0 328.481 4.360 20 30 EIEDRO CCOc1ccc(C#N)cc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000461887649 1038782726 /nfs/dbraw/zinc/78/27/26/1038782726.db2.gz YCANUWIWZZMSTQ-UHFFFAOYSA-N 1 0 349.478 4.076 20 30 EIEDRO C=CCCOCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000539053783 1038800737 /nfs/dbraw/zinc/80/07/37/1038800737.db2.gz GZQMGXJPLHOYNT-KRWDZBQOSA-N 1 0 327.472 4.041 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2c[nH]c3ncccc23)CC1 ZINC000539054033 1038802316 /nfs/dbraw/zinc/80/23/16/1038802316.db2.gz VACPMKTYYWBULN-UHFFFAOYSA-N 1 0 344.462 4.099 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000924751494 1038851756 /nfs/dbraw/zinc/85/17/56/1038851756.db2.gz LBTXLZNTMFCDTP-OAHLLOKOSA-N 1 0 334.891 4.306 20 30 EIEDRO CC[NH+](CC)CCCC1CCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000461947568 1038854751 /nfs/dbraw/zinc/85/47/51/1038854751.db2.gz KJJSTFFIVFEWNU-UHFFFAOYSA-N 1 0 348.922 4.254 20 30 EIEDRO COc1cccc([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000539230195 1038881837 /nfs/dbraw/zinc/88/18/37/1038881837.db2.gz UCYMZHVCJWRQTC-CQSZACIVSA-N 1 0 349.352 4.296 20 30 EIEDRO COc1ccc(C[NH2+]Cc2c(OC)ccc3ccccc32)cc1C#N ZINC000174254233 1038891036 /nfs/dbraw/zinc/89/10/36/1038891036.db2.gz ANMSAQVVTJNMAE-UHFFFAOYSA-N 1 0 332.403 4.018 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000505044406 1038896441 /nfs/dbraw/zinc/89/64/41/1038896441.db2.gz AUFWMZANSGOWII-KRWDZBQOSA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000505056425 1038925423 /nfs/dbraw/zinc/92/54/23/1038925423.db2.gz BHFJSIWHIVNJKE-RTWAWAEBSA-N 1 0 349.478 4.372 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539305762 1038970715 /nfs/dbraw/zinc/97/07/15/1038970715.db2.gz OMTMVJVPBOYTCW-UZLBHIALSA-N 1 0 343.442 4.382 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)Cc1cccs1 ZINC000174533752 1038986810 /nfs/dbraw/zinc/98/68/10/1038986810.db2.gz JBWDFSDZUCQRCJ-INIZCTEOSA-N 1 0 327.497 4.066 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)cc1 ZINC000174545276 1038994927 /nfs/dbraw/zinc/99/49/27/1038994927.db2.gz RGJAMQJMRUCWEQ-SFHVURJKSA-N 1 0 326.465 4.095 20 30 EIEDRO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000609040638 1039003269 /nfs/dbraw/zinc/00/32/69/1039003269.db2.gz WSVRWPWZPFBJQL-CQSZACIVSA-N 1 0 345.512 4.092 20 30 EIEDRO CSc1ccc([C@@H](CNc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000555262245 1039014421 /nfs/dbraw/zinc/01/44/21/1039014421.db2.gz IHBOEHGZGUAVKG-GOSISDBHSA-N 1 0 329.444 4.134 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@H]1CCN(c2cccc(OC)c2)C1)c1ccco1 ZINC000552044573 1039064444 /nfs/dbraw/zinc/06/44/44/1039064444.db2.gz GTWNALNMLBBQQL-QFBILLFUSA-N 1 0 326.440 4.164 20 30 EIEDRO N#Cc1cnc(C[NH2+]C2CCC(c3ccc(Cl)cc3)CC2)s1 ZINC001168335459 1039074938 /nfs/dbraw/zinc/07/49/38/1039074938.db2.gz LBRHGQGGQLQONM-UHFFFAOYSA-N 1 0 331.872 4.484 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000424767432 1039076265 /nfs/dbraw/zinc/07/62/65/1039076265.db2.gz LBJLHDCVQUEZSC-PKOBYXMFSA-N 1 0 328.500 4.006 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCCC2(C)C)c1C ZINC000481178877 1039079831 /nfs/dbraw/zinc/07/98/31/1039079831.db2.gz XHFMQYAXNHZDGL-IBGZPJMESA-N 1 0 341.499 4.109 20 30 EIEDRO C=CCC[C@H]([NH2+]CC1(c2ccc(OC)cc2)CCOCC1)C1CC1 ZINC000120474769 1039125008 /nfs/dbraw/zinc/12/50/08/1039125008.db2.gz CRJOJJXVIMKEFG-FQEVSTJZSA-N 1 0 329.484 4.078 20 30 EIEDRO COCCOc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000090665243 1039269718 /nfs/dbraw/zinc/26/97/18/1039269718.db2.gz XEYIEBSLTZQILE-LAUBAEHRSA-N 1 0 338.451 4.407 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccco1 ZINC000552262104 1039319992 /nfs/dbraw/zinc/31/99/92/1039319992.db2.gz FZWXTRUJKAPSGT-HBFSDRIKSA-N 1 0 329.415 4.182 20 30 EIEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000555527357 1039327183 /nfs/dbraw/zinc/32/71/83/1039327183.db2.gz CUDMTRWFXZBBDM-PJODQICGSA-N 1 0 333.273 4.354 20 30 EIEDRO CC(C)[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccc(C#N)cc1 ZINC000534336884 1039348782 /nfs/dbraw/zinc/34/87/82/1039348782.db2.gz WZUFBXQWKAVFOZ-UHFFFAOYSA-N 1 0 344.462 4.214 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3ccc(Br)s3)CCC2)C1 ZINC000552323303 1039380165 /nfs/dbraw/zinc/38/01/65/1039380165.db2.gz DDXWKGGBAVKZIM-RYUDHWBXSA-N 1 0 339.302 4.214 20 30 EIEDRO C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(C#N)cc1Cl ZINC000552333597 1039388563 /nfs/dbraw/zinc/38/85/63/1039388563.db2.gz JHXXDQFPSCNFOC-AWEZNQCLSA-N 1 0 325.843 4.379 20 30 EIEDRO CC(C)(C#N)CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000555697738 1039544491 /nfs/dbraw/zinc/54/44/91/1039544491.db2.gz VVDAHAGUAKOFRZ-UHFFFAOYSA-N 1 0 338.854 4.100 20 30 EIEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1cccc(C#N)c1 ZINC000092504288 1039558861 /nfs/dbraw/zinc/55/88/61/1039558861.db2.gz RBHWOLJICQJMLI-UHFFFAOYSA-N 1 0 332.407 4.038 20 30 EIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000092504328 1039560265 /nfs/dbraw/zinc/56/02/65/1039560265.db2.gz HXZNXRGXSSZUFQ-UHFFFAOYSA-N 1 0 328.419 4.137 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000481590625 1039603246 /nfs/dbraw/zinc/60/32/46/1039603246.db2.gz FZBHVINYUMIXBV-IBGZPJMESA-N 1 0 328.362 4.122 20 30 EIEDRO C=C(C)[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000481593830 1039608688 /nfs/dbraw/zinc/60/86/88/1039608688.db2.gz FUMOCBHQXDAABJ-YLJYHZDGSA-N 1 0 331.406 4.165 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000042275406 1039628380 /nfs/dbraw/zinc/62/83/80/1039628380.db2.gz VJVXCKMJBDWWAN-CQSZACIVSA-N 1 0 344.252 4.312 20 30 EIEDRO CCC[N@@H+](Cc1cccc(OCCCC#N)c1)C[C@@H]1CCCCO1 ZINC000093132377 1039635029 /nfs/dbraw/zinc/63/50/29/1039635029.db2.gz YTSSMACKCMCBRT-FQEVSTJZSA-N 1 0 330.472 4.150 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](OCCC)CC2)cc1OC ZINC000093317265 1039661221 /nfs/dbraw/zinc/66/12/21/1039661221.db2.gz JQYYSLYNKMAVGD-GOSISDBHSA-N 1 0 333.472 4.041 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481644596 1039675853 /nfs/dbraw/zinc/67/58/53/1039675853.db2.gz LYDMOEZMQXOVGB-SFHVURJKSA-N 1 0 343.515 4.066 20 30 EIEDRO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)n1 ZINC000093453490 1039701613 /nfs/dbraw/zinc/70/16/13/1039701613.db2.gz OIXICMBFIUNMHP-OAQYLSRUSA-N 1 0 334.467 4.077 20 30 EIEDRO C=C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21)c1ccccc1 ZINC000534736083 1039757632 /nfs/dbraw/zinc/75/76/32/1039757632.db2.gz UYLRCJRNQJXHFI-NQIIRXRSSA-N 1 0 346.474 4.358 20 30 EIEDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000093868663 1039764002 /nfs/dbraw/zinc/76/40/02/1039764002.db2.gz XGYYJERXAJXSAV-PKOBYXMFSA-N 1 0 332.513 4.475 20 30 EIEDRO CCC1CCC([N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C2CC2)CC1 ZINC000434659280 1039788304 /nfs/dbraw/zinc/78/83/04/1039788304.db2.gz OJPDJLXSJSLWMC-UHFFFAOYSA-N 1 0 343.471 4.140 20 30 EIEDRO CC(C)[C@H]1[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC12CCC2 ZINC000430083804 1039832512 /nfs/dbraw/zinc/83/25/12/1039832512.db2.gz ICKMTTWZEBSXTB-OAQYLSRUSA-N 1 0 348.494 4.474 20 30 EIEDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)cc1OCCCC#N ZINC000430094476 1039837987 /nfs/dbraw/zinc/83/79/87/1039837987.db2.gz KITILQRHDIXAGM-HXUWFJFHSA-N 1 0 342.483 4.388 20 30 EIEDRO C=CCC1(C(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CCC1 ZINC000478677203 1039861540 /nfs/dbraw/zinc/86/15/40/1039861540.db2.gz ROXORWQYYQZHOJ-UHFFFAOYSA-N 1 0 340.511 4.281 20 30 EIEDRO C=CC[NH+]1CCC(N[C@@H](C)c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000924984468 1039872964 /nfs/dbraw/zinc/87/29/64/1039872964.db2.gz VOGUNYFRLRHMHQ-NSHDSACASA-N 1 0 347.812 4.055 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000537661209 1039875640 /nfs/dbraw/zinc/87/56/40/1039875640.db2.gz NIMVVFZWFOGMHC-UHFFFAOYSA-N 1 0 329.484 4.423 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000442692095 1039880475 /nfs/dbraw/zinc/88/04/75/1039880475.db2.gz MXXKDAWUQOQFHJ-QUCCMNQESA-N 1 0 325.500 4.207 20 30 EIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc(Cl)cc2C#N)CC1 ZINC000425234796 1039901197 /nfs/dbraw/zinc/90/11/97/1039901197.db2.gz HVQXJFWTSKLGID-AWEZNQCLSA-N 1 0 340.858 4.244 20 30 EIEDRO Cc1c(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cccc1[N+](=O)[O-] ZINC000481996427 1039941217 /nfs/dbraw/zinc/94/12/17/1039941217.db2.gz AFDSZCRUBSPNQV-IBGZPJMESA-N 1 0 335.407 4.332 20 30 EIEDRO C=CCC[C@H](NC(=O)NCCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000435114141 1040075410 /nfs/dbraw/zinc/07/54/10/1040075410.db2.gz QYSGEKVQAMSCFE-FQEVSTJZSA-N 1 0 343.515 4.115 20 30 EIEDRO C[NH+](C)CCOc1ccccc1CNc1cccc(C(F)F)c1C#N ZINC000514679930 1040099512 /nfs/dbraw/zinc/09/95/12/1040099512.db2.gz RLWMUVOJLQQKHI-UHFFFAOYSA-N 1 0 345.393 4.048 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000551271842 1040133854 /nfs/dbraw/zinc/13/38/54/1040133854.db2.gz DPACACHKPXUDRG-SNVBAGLBSA-N 1 0 338.304 4.289 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482628607 1040392983 /nfs/dbraw/zinc/39/29/83/1040392983.db2.gz LCPYIOJWDHLOIK-UYAOXDASSA-N 1 0 346.490 4.101 20 30 EIEDRO C=CCCCC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000479541202 1040446093 /nfs/dbraw/zinc/44/60/93/1040446093.db2.gz MCMKOAPYCJIWOW-MRXNPFEDSA-N 1 0 338.854 4.089 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1F ZINC000551602185 1040452676 /nfs/dbraw/zinc/45/26/76/1040452676.db2.gz QCEQAXCJQKDCLM-HNNXBMFYSA-N 1 0 338.426 4.163 20 30 EIEDRO N#Cc1ccc(F)cc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000160342791 1040466164 /nfs/dbraw/zinc/46/61/64/1040466164.db2.gz UBDBJXXUSZLYML-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000539494544 1040470944 /nfs/dbraw/zinc/47/09/44/1040470944.db2.gz JMISTLFTTUPHHA-OXQOHEQNSA-N 1 0 337.442 4.325 20 30 EIEDRO COc1cccc(C2(C[NH2+]Cc3ccc(C#N)s3)CCCC2)c1 ZINC000539501315 1040479628 /nfs/dbraw/zinc/47/96/28/1040479628.db2.gz IQSMQKLOECQTRI-UHFFFAOYSA-N 1 0 326.465 4.230 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)cc1 ZINC000539497715 1040488243 /nfs/dbraw/zinc/48/82/43/1040488243.db2.gz RXADZRSCFJJAAL-TUNNFDKTSA-N 1 0 337.511 4.081 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccc(Oc2ccccc2)nn1 ZINC000491259950 1040488590 /nfs/dbraw/zinc/48/85/90/1040488590.db2.gz MZUMKSLVRAUNHA-UHFFFAOYSA-N 1 0 335.407 4.093 20 30 EIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000192755513 1040498411 /nfs/dbraw/zinc/49/84/11/1040498411.db2.gz PHMONSXDCYVGBE-HNNXBMFYSA-N 1 0 330.435 4.212 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000539510461 1040503549 /nfs/dbraw/zinc/50/35/49/1040503549.db2.gz BVOWIYDAZSARNJ-CYBMUJFWSA-N 1 0 345.240 4.050 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000539510462 1040504290 /nfs/dbraw/zinc/50/42/90/1040504290.db2.gz BVOWIYDAZSARNJ-ZDUSSCGKSA-N 1 0 345.240 4.050 20 30 EIEDRO C=CCC[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1)c1ccccc1 ZINC000160519058 1040579971 /nfs/dbraw/zinc/57/99/71/1040579971.db2.gz GUNCACLFVRUBKI-ICSRJNTNSA-N 1 0 343.515 4.067 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000435750915 1040584365 /nfs/dbraw/zinc/58/43/65/1040584365.db2.gz OTIBSVNJSGKTLT-MEDUHNTESA-N 1 0 330.255 4.073 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OCCC(C)C)c1 ZINC000435735492 1040591609 /nfs/dbraw/zinc/59/16/09/1040591609.db2.gz NJVBBERCPQBZCO-WIYYLYMNSA-N 1 0 347.499 4.191 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000435746033 1040598210 /nfs/dbraw/zinc/59/82/10/1040598210.db2.gz SPNUWHKJUZKLFJ-RHSMWYFYSA-N 1 0 332.444 4.020 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+]C3(Cc4ccccc4)CCCCC3)n2c1 ZINC000551802865 1040598715 /nfs/dbraw/zinc/59/87/15/1040598715.db2.gz VWDCGCCJYFZTEC-UHFFFAOYSA-N 1 0 344.462 4.241 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000551789472 1040603976 /nfs/dbraw/zinc/60/39/76/1040603976.db2.gz OMKMEHQFJKFMBH-RRQGHBQHSA-N 1 0 327.390 4.116 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539607288 1040604489 /nfs/dbraw/zinc/60/44/89/1040604489.db2.gz INWJFMRATPBVPX-UZLBHIALSA-N 1 0 337.442 4.013 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000539607377 1040604958 /nfs/dbraw/zinc/60/49/58/1040604958.db2.gz LEHVDUFCHGQIDO-GUYCJALGSA-N 1 0 343.833 4.280 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000539609374 1040608192 /nfs/dbraw/zinc/60/81/92/1040608192.db2.gz FNSDESNLNMNTHS-RDTXWAMCSA-N 1 0 329.419 4.024 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000435757791 1040613246 /nfs/dbraw/zinc/61/32/46/1040613246.db2.gz CFHNOHMNZCQEMF-HOJAQTOUSA-N 1 0 343.515 4.208 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(NC3(c4cccc(C#N)c4)CC3)CC2)C1 ZINC000551811107 1040620504 /nfs/dbraw/zinc/62/05/04/1040620504.db2.gz FHFFYWDNACFWFJ-LAUBAEHRSA-N 1 0 337.511 4.180 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1F ZINC000553910517 1040626433 /nfs/dbraw/zinc/62/64/33/1040626433.db2.gz QWMYOMKOPDJJPI-UHFFFAOYSA-N 1 0 342.389 4.018 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(OC(F)F)c1 ZINC000483096396 1040683190 /nfs/dbraw/zinc/68/31/90/1040683190.db2.gz JRKNDCZCJXAKET-HNNXBMFYSA-N 1 0 346.352 4.288 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1Cl ZINC000537725744 1040776090 /nfs/dbraw/zinc/77/60/90/1040776090.db2.gz YVHHLLTZVFLSLN-YJBOKZPZSA-N 1 0 345.874 4.184 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000554076316 1040782336 /nfs/dbraw/zinc/78/23/36/1040782336.db2.gz ACUQVNJJKZNIDQ-AWEZNQCLSA-N 1 0 339.252 4.495 20 30 EIEDRO N#Cc1c(Cl)cccc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000515501328 1040807175 /nfs/dbraw/zinc/80/71/75/1040807175.db2.gz COKXWQXDAZIIAW-UHFFFAOYSA-N 1 0 343.833 4.427 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000539923995 1040907552 /nfs/dbraw/zinc/90/75/52/1040907552.db2.gz OOZXIXBCFXZQNX-HWKANZROSA-N 1 0 345.402 4.269 20 30 EIEDRO N#CCc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000554264911 1040925948 /nfs/dbraw/zinc/92/59/48/1040925948.db2.gz UTNIMNRQVPZAPK-UHFFFAOYSA-N 1 0 338.426 4.073 20 30 EIEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)Oc1ccccc1 ZINC000537981216 1040955051 /nfs/dbraw/zinc/95/50/51/1040955051.db2.gz BAUMSJUOOPJEBI-NLMOZGTASA-N 1 0 334.463 4.448 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000537983677 1040959133 /nfs/dbraw/zinc/95/91/33/1040959133.db2.gz UVSJZPJSSULBGM-IBGZPJMESA-N 1 0 345.364 4.343 20 30 EIEDRO C=CCn1c(SCCC[NH+]2CCCC2)nnc1-c1ccc(C)cc1 ZINC000436208065 1040960131 /nfs/dbraw/zinc/96/01/31/1040960131.db2.gz JALYOWNIMRUTNA-UHFFFAOYSA-N 1 0 342.512 4.018 20 30 EIEDRO COc1cccc2c1CC[C@H]2[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000537985034 1040962924 /nfs/dbraw/zinc/96/29/24/1040962924.db2.gz QFHXMOXBGSXODL-GOSISDBHSA-N 1 0 345.364 4.343 20 30 EIEDRO COc1cc(C[N@@H+]2CCC=C(C)C2)ccc1OCc1cccc(C#N)c1 ZINC000436249678 1040997857 /nfs/dbraw/zinc/99/78/57/1040997857.db2.gz AYXSHZQQOHPIRB-UHFFFAOYSA-N 1 0 348.446 4.298 20 30 EIEDRO C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000436280467 1041025888 /nfs/dbraw/zinc/02/58/88/1041025888.db2.gz DTQFNGGYTLGFLM-KXBFYZLASA-N 1 0 329.463 4.145 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000436283206 1041027423 /nfs/dbraw/zinc/02/74/23/1041027423.db2.gz LDOQJVZKBBYMFQ-HFTRVMKXSA-N 1 0 339.426 4.180 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCSc2ccc(OC)cc21 ZINC000436283057 1041028237 /nfs/dbraw/zinc/02/82/37/1041028237.db2.gz IZKVLAORTMRMGY-FNHZYXHNSA-N 1 0 333.497 4.193 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000436283766 1041031465 /nfs/dbraw/zinc/03/14/65/1041031465.db2.gz KTOQVDHNNXQIBX-WQGACYEGSA-N 1 0 342.252 4.220 20 30 EIEDRO Cn1ccc([C@@H]([NH2+]CC(C)(C)CCC#N)c2ccc(Cl)cc2)n1 ZINC000554360109 1041034990 /nfs/dbraw/zinc/03/49/90/1041034990.db2.gz ZETAQABCIPWSDV-KRWDZBQOSA-N 1 0 330.863 4.082 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000436286110 1041036088 /nfs/dbraw/zinc/03/60/88/1041036088.db2.gz AQQOWKNOTHVFKH-VBQJREDUSA-N 1 0 325.399 4.228 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000436288899 1041055587 /nfs/dbraw/zinc/05/55/87/1041055587.db2.gz LOIQUDAHPRTODV-KYJSFNMBSA-N 1 0 328.481 4.442 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000436293869 1041059331 /nfs/dbraw/zinc/05/93/31/1041059331.db2.gz NIAAMVGOVDZMJX-JBACZVJFSA-N 1 0 340.442 4.189 20 30 EIEDRO C[C@@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1F ZINC000436300388 1041069218 /nfs/dbraw/zinc/06/92/18/1041069218.db2.gz LZRSZJUMPFHNLU-QAPCUYQASA-N 1 0 329.463 4.145 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)cc1F ZINC000483935507 1041072080 /nfs/dbraw/zinc/07/20/80/1041072080.db2.gz UNLMARROSGMNHG-UHFFFAOYSA-N 1 0 338.426 4.005 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000436307481 1041078128 /nfs/dbraw/zinc/07/81/28/1041078128.db2.gz KILWMXCYGCNMGB-WQGACYEGSA-N 1 0 342.252 4.220 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1ccccc1F ZINC000515770388 1041082087 /nfs/dbraw/zinc/08/20/87/1041082087.db2.gz GWNBOMMRVSHMKH-UHFFFAOYSA-N 1 0 346.833 4.496 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000436313836 1041084463 /nfs/dbraw/zinc/08/44/63/1041084463.db2.gz MGXYVYOZISPVAS-COXVUDFISA-N 1 0 341.373 4.143 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)ccc1OC(C)C ZINC000484081725 1041109838 /nfs/dbraw/zinc/10/98/38/1041109838.db2.gz FYHZWDGAPNEZKX-AWEZNQCLSA-N 1 0 342.414 4.344 20 30 EIEDRO CC[C@H](C)[C@H]([NH2+]CC(=O)N(CC)C[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000538186947 1041147059 /nfs/dbraw/zinc/14/70/59/1041147059.db2.gz DJPQVVARSFDIIE-DOXZYTNZSA-N 1 0 349.906 4.025 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000484164205 1041152530 /nfs/dbraw/zinc/15/25/30/1041152530.db2.gz QXHKKPNWKJXQRI-MSOLQXFVSA-N 1 0 348.494 4.197 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000538194953 1041158783 /nfs/dbraw/zinc/15/87/83/1041158783.db2.gz QUMNZDWFRBGIMQ-HKUYNNGSSA-N 1 0 325.452 4.101 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H](C)CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000540147903 1041171469 /nfs/dbraw/zinc/17/14/69/1041171469.db2.gz ZONVTSZZDMBHER-CJNGLKHVSA-N 1 0 342.405 4.169 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000425531152 1041171865 /nfs/dbraw/zinc/17/18/65/1041171865.db2.gz GUBDBIAFHBISDN-ZDUSSCGKSA-N 1 0 349.356 4.087 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540148857 1041175327 /nfs/dbraw/zinc/17/53/27/1041175327.db2.gz HFYMGXQXYLHERK-KRWDZBQOSA-N 1 0 326.406 4.397 20 30 EIEDRO CCOc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000425529720 1041184492 /nfs/dbraw/zinc/18/44/92/1041184492.db2.gz CPECPXGAZAPXSR-AWEZNQCLSA-N 1 0 339.395 4.058 20 30 EIEDRO C=CC[NH+](CC=C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000505902481 1041201343 /nfs/dbraw/zinc/20/13/43/1041201343.db2.gz GSTDUUWEEMNYQM-UHFFFAOYSA-N 1 0 336.435 4.122 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000538261552 1041207657 /nfs/dbraw/zinc/20/76/57/1041207657.db2.gz UMMFNORNPDSPTL-VQIMIIECSA-N 1 0 325.452 4.340 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000436402219 1041210259 /nfs/dbraw/zinc/21/02/59/1041210259.db2.gz URJKYXBWDAYQNC-UHFFFAOYSA-N 1 0 330.353 4.398 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000436403122 1041210406 /nfs/dbraw/zinc/21/04/06/1041210406.db2.gz GKCVJTOLYREPCI-UHFFFAOYSA-N 1 0 336.382 4.460 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000540172451 1041216344 /nfs/dbraw/zinc/21/63/44/1041216344.db2.gz GJZRNUBAOFZBPK-IBGZPJMESA-N 1 0 326.440 4.208 20 30 EIEDRO CC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000540187915 1041230563 /nfs/dbraw/zinc/23/05/63/1041230563.db2.gz HNRWYDNBRRSPGO-GOSISDBHSA-N 1 0 346.377 4.279 20 30 EIEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538395914 1041313265 /nfs/dbraw/zinc/31/32/65/1041313265.db2.gz SNPPXAOPAUSQEP-UNMCSNQZSA-N 1 0 339.527 4.471 20 30 EIEDRO CC[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H](CC)CN1CCC(C)(C)C#N ZINC000538468099 1041370218 /nfs/dbraw/zinc/37/02/18/1041370218.db2.gz SRYABQCJFHZVEX-QZTJIDSGSA-N 1 0 332.536 4.041 20 30 EIEDRO COc1cc(OC)c(OC)cc1C[N@H+](CCC(C)(C)C#N)C(C)(C)C ZINC000538466032 1041371271 /nfs/dbraw/zinc/37/12/71/1041371271.db2.gz BBKOEEWJAAOBBD-UHFFFAOYSA-N 1 0 348.487 4.253 20 30 EIEDRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]CC2(C#N)CC2)cc1 ZINC000484628221 1041378201 /nfs/dbraw/zinc/37/82/01/1041378201.db2.gz MKKPRUOBGQMUSH-RBUKOAKNSA-N 1 0 328.456 4.059 20 30 EIEDRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000538502966 1041381453 /nfs/dbraw/zinc/38/14/53/1041381453.db2.gz SMICVTVAGVYFJQ-AEFFLSMTSA-N 1 0 329.463 4.391 20 30 EIEDRO COc1cccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000538507565 1041396012 /nfs/dbraw/zinc/39/60/12/1041396012.db2.gz NMAQDRMGMOIJIQ-CQSZACIVSA-N 1 0 326.415 4.334 20 30 EIEDRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000540409319 1041436864 /nfs/dbraw/zinc/43/68/64/1041436864.db2.gz WCFJQHINUYUMPA-RBUKOAKNSA-N 1 0 349.478 4.289 20 30 EIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000192941290 1041447409 /nfs/dbraw/zinc/44/74/09/1041447409.db2.gz YIKZPUCVAHZJCI-INIZCTEOSA-N 1 0 344.462 4.271 20 30 EIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000192941304 1041447430 /nfs/dbraw/zinc/44/74/30/1041447430.db2.gz YIKZPUCVAHZJCI-MRXNPFEDSA-N 1 0 344.462 4.271 20 30 EIEDRO CC1CC[NH+](CCc2cccc(N[C@@H]3CCC[C@H](C#N)C3)c2)CC1 ZINC000463248462 1041452977 /nfs/dbraw/zinc/45/29/77/1041452977.db2.gz UHPRKBHUCZWKJC-PZJWPPBQSA-N 1 0 325.500 4.455 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000463284798 1041474618 /nfs/dbraw/zinc/47/46/18/1041474618.db2.gz QQRTTZLRBUXFJW-GXTWGEPZSA-N 1 0 327.255 4.434 20 30 EIEDRO C=C(C)[C@@H]([NH2+][C@H](C)Cc1cccc(OC)n1)c1ccc(F)c(F)c1 ZINC000480679683 1041476146 /nfs/dbraw/zinc/47/61/46/1041476146.db2.gz JJOSHNBREOWMJA-BFUOFWGJSA-N 1 0 332.394 4.206 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1F)c1ccccc1 ZINC000540455822 1041477078 /nfs/dbraw/zinc/47/70/78/1041477078.db2.gz CTKQSQDHWRHXTG-GOSISDBHSA-N 1 0 326.415 4.370 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000540476190 1041480814 /nfs/dbraw/zinc/48/08/14/1041480814.db2.gz RRSUTKDUBFXOEW-LJQANCHMSA-N 1 0 338.451 4.452 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(OCc2cccnc2)cc1 ZINC000540549882 1041535204 /nfs/dbraw/zinc/53/52/04/1041535204.db2.gz WEHAPQKWWHIFSQ-OAHLLOKOSA-N 1 0 349.459 4.445 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904572250 1041542924 /nfs/dbraw/zinc/54/29/24/1041542924.db2.gz MUEAFLSXHTZJBI-UHFFFAOYSA-N 1 0 329.469 4.162 20 30 EIEDRO CCCC[C@H](CCC)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540593662 1041550750 /nfs/dbraw/zinc/55/07/50/1041550750.db2.gz NAFOSGLNHOBYNO-FQEVSTJZSA-N 1 0 327.516 4.471 20 30 EIEDRO Cc1nc(NC[C@H](c2cccs2)[NH+]2CCCC2)c(Cl)cc1C#N ZINC000461718403 1041569272 /nfs/dbraw/zinc/56/92/72/1041569272.db2.gz MIQZTXNEAURWHQ-OAHLLOKOSA-N 1 0 346.887 4.226 20 30 EIEDRO C=CCOc1c(Br)cc(C[N@H+](C)C(C)C)cc1OCC ZINC000505906881 1041572825 /nfs/dbraw/zinc/57/28/25/1041572825.db2.gz HHJMDJFDLMKCLD-UHFFFAOYSA-N 1 0 342.277 4.253 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000540702635 1041604348 /nfs/dbraw/zinc/60/43/48/1041604348.db2.gz YAXYTZMDTRSDAN-BBTUJRGHSA-N 1 0 336.479 4.427 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000540705454 1041605280 /nfs/dbraw/zinc/60/52/80/1041605280.db2.gz GMXKEPIPZPOKOF-SGTLLEGYSA-N 1 0 332.806 4.389 20 30 EIEDRO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000540708102 1041607636 /nfs/dbraw/zinc/60/76/36/1041607636.db2.gz SDAJKMWISKLRBJ-MRFFXTKBSA-N 1 0 342.389 4.407 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000540708432 1041607851 /nfs/dbraw/zinc/60/78/51/1041607851.db2.gz UHAAPTRWMQFPLD-DJJJIMSYSA-N 1 0 326.440 4.379 20 30 EIEDRO Cc1ccccc1[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437097572 1041643878 /nfs/dbraw/zinc/64/38/78/1041643878.db2.gz VORSVAQUUDNUET-IVMQYODDSA-N 1 0 335.451 4.303 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H]1C ZINC000437088411 1041649689 /nfs/dbraw/zinc/64/96/89/1041649689.db2.gz YBXJRLMVHJQOAL-VRVMVEOCSA-N 1 0 327.472 4.058 20 30 EIEDRO COC1(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCCCC1 ZINC000516606193 1041663992 /nfs/dbraw/zinc/66/39/92/1041663992.db2.gz DVSHYVAXHBQFBC-UHFFFAOYSA-N 1 0 326.362 4.016 20 30 EIEDRO COc1ccc(Oc2ccc(CC[NH2+]Cc3ccc(C#N)o3)cc2)cc1 ZINC000540794744 1041675279 /nfs/dbraw/zinc/67/52/79/1041675279.db2.gz WMBYFZKMBUXRBW-UHFFFAOYSA-N 1 0 348.402 4.284 20 30 EIEDRO N#Cc1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)c(OC(F)F)c1 ZINC000437507055 1041830833 /nfs/dbraw/zinc/83/08/33/1041830833.db2.gz VICKXBROZMVGNS-UHFFFAOYSA-N 1 0 348.315 4.324 20 30 EIEDRO CCC[C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000470364281 1041848556 /nfs/dbraw/zinc/84/85/56/1041848556.db2.gz TUOGGVNTYTZTPY-OAHLLOKOSA-N 1 0 335.879 4.016 20 30 EIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC000541349657 1041899207 /nfs/dbraw/zinc/89/92/07/1041899207.db2.gz OMDUZQCVOLXMIQ-UHFFFAOYSA-N 1 0 334.341 4.283 20 30 EIEDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000541537268 1041998678 /nfs/dbraw/zinc/99/86/78/1041998678.db2.gz CNLDYJMSIGDDTI-QFBILLFUSA-N 1 0 339.483 4.035 20 30 EIEDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000541537266 1041999033 /nfs/dbraw/zinc/99/90/33/1041999033.db2.gz CNLDYJMSIGDDTI-APWZRJJASA-N 1 0 339.483 4.035 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1OCC(C)C ZINC000506234964 1042188306 /nfs/dbraw/zinc/18/83/06/1042188306.db2.gz SUXKMXGHGJBQOU-UHFFFAOYSA-N 1 0 338.451 4.234 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CC(F)(F)F)C(C)C)cc1OC ZINC000438484302 1042202627 /nfs/dbraw/zinc/20/26/27/1042202627.db2.gz IBVOYULRCGPBSO-CQSZACIVSA-N 1 0 331.378 4.327 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000464860513 1042205135 /nfs/dbraw/zinc/20/51/35/1042205135.db2.gz RMHRBODBPASWRS-IRLDBZIGSA-N 1 0 332.447 4.226 20 30 EIEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)c(Cl)c1 ZINC000383067512 1042214719 /nfs/dbraw/zinc/21/47/19/1042214719.db2.gz HBNXHCWZURDTKO-KRWDZBQOSA-N 1 0 339.870 4.170 20 30 EIEDRO Cc1ccc(C(C)(C)C[N@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000282099258 1042233907 /nfs/dbraw/zinc/23/39/07/1042233907.db2.gz VYPATYCDLMKTTF-UHFFFAOYSA-N 1 0 328.500 4.305 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000517889581 1042240738 /nfs/dbraw/zinc/24/07/38/1042240738.db2.gz YSMJHWMNFGVNEO-JXFKEZNVSA-N 1 0 334.463 4.409 20 30 EIEDRO C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@@H]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542107066 1042288170 /nfs/dbraw/zinc/28/81/70/1042288170.db2.gz ZQJNJJSQFJGARU-QQMNAOGKSA-N 1 0 345.490 4.359 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000542207725 1042344603 /nfs/dbraw/zinc/34/46/03/1042344603.db2.gz WDJKGEGLJOOZAN-UHFFFAOYSA-N 1 0 340.854 4.449 20 30 EIEDRO COC1CCN(c2ccc(C[N@H+](CCC#N)CC(C)(C)C)cc2)CC1 ZINC000295109084 1042435372 /nfs/dbraw/zinc/43/53/72/1042435372.db2.gz VEXYDANFNYBKQJ-UHFFFAOYSA-N 1 0 343.515 4.064 20 30 EIEDRO CSc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000518271654 1042446061 /nfs/dbraw/zinc/44/60/61/1042446061.db2.gz DYUBYUIDCCKCBH-UHFFFAOYSA-N 1 0 328.506 4.303 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)CCc2ccco2)ccc1OC ZINC000518272892 1042446706 /nfs/dbraw/zinc/44/67/06/1042446706.db2.gz QLBGLCBDYGWYDV-MRXNPFEDSA-N 1 0 329.440 4.354 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(F)cc3C(F)(F)F)CC2)c1 ZINC000271849871 1042450960 /nfs/dbraw/zinc/45/09/60/1042450960.db2.gz SOQYIMJGYQRJMB-UHFFFAOYSA-N 1 0 334.316 4.495 20 30 EIEDRO CC(C)[C@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000030149047 1042492006 /nfs/dbraw/zinc/49/20/06/1042492006.db2.gz ODYYHMWWQJWAKH-AWEZNQCLSA-N 1 0 347.528 4.194 20 30 EIEDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000030270600 1042499746 /nfs/dbraw/zinc/49/97/46/1042499746.db2.gz NOLXJZJQILDXAV-AWEZNQCLSA-N 1 0 344.503 4.151 20 30 EIEDRO C#C[C@H](NC(=[NH2+])Nc1cc(F)ccc1F)c1ccc(Cl)cc1F ZINC000491821489 1042501874 /nfs/dbraw/zinc/50/18/74/1042501874.db2.gz WBJVKMYDAOEIJZ-AWEZNQCLSA-N 1 0 337.732 4.068 20 30 EIEDRO COC(=O)CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000271939079 1042534476 /nfs/dbraw/zinc/53/44/76/1042534476.db2.gz LFEXHIJXOCJXCK-LIRRHRJNSA-N 1 0 340.398 4.042 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)c(F)c1 ZINC000271940101 1042534483 /nfs/dbraw/zinc/53/44/83/1042534483.db2.gz LMBSQKAJGPOOOO-HNAYVOBHSA-N 1 0 340.442 4.150 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)cc1 ZINC000506524217 1042557061 /nfs/dbraw/zinc/55/70/61/1042557061.db2.gz IGOKWNPSPHYFDT-HXUWFJFHSA-N 1 0 341.499 4.121 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3ccccc3Br)CCC2)C1 ZINC000426327000 1042559724 /nfs/dbraw/zinc/55/97/24/1042559724.db2.gz OMDPJMMVFKNDQP-UONOGXRCSA-N 1 0 333.273 4.153 20 30 EIEDRO CN(c1ccccc1)C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439427139 1042617655 /nfs/dbraw/zinc/61/76/55/1042617655.db2.gz ARDDMTWFFOFIBB-UHFFFAOYSA-N 1 0 339.870 4.312 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000518766288 1042675814 /nfs/dbraw/zinc/67/58/14/1042675814.db2.gz SMQHWJLDKPEPQU-NRFANRHFSA-N 1 0 336.479 4.006 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCCc2cccc(F)c2)cc1OC ZINC000518818598 1042708893 /nfs/dbraw/zinc/70/88/93/1042708893.db2.gz IWALNEIKVGADEM-UHFFFAOYSA-N 1 0 329.415 4.122 20 30 EIEDRO Cc1cc(C[NH2+]CCc2ccc(Br)s2)ccc1C#N ZINC000443979865 1042716206 /nfs/dbraw/zinc/71/62/06/1042716206.db2.gz PLZNVDUDMOASTK-UHFFFAOYSA-N 1 0 335.270 4.023 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)C)ccc1C#N ZINC000443976450 1042717053 /nfs/dbraw/zinc/71/70/53/1042717053.db2.gz ADFQMCWVFALTJL-UHFFFAOYSA-N 1 0 344.462 4.466 20 30 EIEDRO C[N@H+](CC1CCC(C#N)CC1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000929792546 1042799621 /nfs/dbraw/zinc/79/96/21/1042799621.db2.gz NQCHCTSKBAAHIH-UHFFFAOYSA-N 1 0 349.519 4.084 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000177914169 1042854306 /nfs/dbraw/zinc/85/43/06/1042854306.db2.gz BYVPUUWQHBUHTQ-MRXNPFEDSA-N 1 0 325.283 4.221 20 30 EIEDRO C=CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)c1ccc(C(F)(F)F)cc1 ZINC000441582850 1042895550 /nfs/dbraw/zinc/89/55/50/1042895550.db2.gz ZHJQUPGCLXKOBS-MRXNPFEDSA-N 1 0 342.405 4.169 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)c(C#N)c1C ZINC000493391825 1042899779 /nfs/dbraw/zinc/89/97/79/1042899779.db2.gz WVZVNZSFHZUUFM-YXJHDRRASA-N 1 0 345.487 4.290 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000493846330 1042965306 /nfs/dbraw/zinc/96/53/06/1042965306.db2.gz PVOVZNQWOINRDA-OAHLLOKOSA-N 1 0 329.444 4.484 20 30 EIEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000441672071 1042970234 /nfs/dbraw/zinc/97/02/34/1042970234.db2.gz UXLDZLLUGPSVEW-OAHLLOKOSA-N 1 0 333.501 4.076 20 30 EIEDRO CCN(CC)C(=O)C1([NH2+]CCCCC2(C#N)CCC2)CCCCC1 ZINC001168007141 1043013493 /nfs/dbraw/zinc/01/34/93/1043013493.db2.gz AMBPQBHRRRUYLK-UHFFFAOYSA-N 1 0 333.520 4.011 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000554951037 1043087220 /nfs/dbraw/zinc/08/72/20/1043087220.db2.gz SZLWYGLNQZLYNK-PMACEKPBSA-N 1 0 339.870 4.055 20 30 EIEDRO CCCCCCCCC(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000727386312 1043208955 /nfs/dbraw/zinc/20/89/55/1043208955.db2.gz VYFRZXBKTSTIIS-UHFFFAOYSA-N 1 0 334.508 4.229 20 30 EIEDRO COc1cccc(Oc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cn2)c1 ZINC000185784662 1043221022 /nfs/dbraw/zinc/22/10/22/1043221022.db2.gz KUTSDXRTTOLMGN-RDJZCZTQSA-N 1 0 337.423 4.054 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3ccccc3Br)CC2)C1 ZINC000185843359 1043224745 /nfs/dbraw/zinc/22/47/45/1043224745.db2.gz QKWCVIPTEFHTRC-KBPBESRZSA-N 1 0 333.273 4.153 20 30 EIEDRO N#CC1CCC(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000929333814 1043241095 /nfs/dbraw/zinc/24/10/95/1043241095.db2.gz YEMZVROUXQMDOO-FIYWTHMPSA-N 1 0 342.327 4.379 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000282487646 1043242210 /nfs/dbraw/zinc/24/22/10/1043242210.db2.gz XHNIIMCAOKPEFY-BXNZUYAZSA-N 1 0 341.455 4.226 20 30 EIEDRO COc1ccc(F)cc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000427883882 1043248692 /nfs/dbraw/zinc/24/86/92/1043248692.db2.gz RMXOAFZJJZJUFZ-UHFFFAOYSA-N 1 0 338.426 4.328 20 30 EIEDRO CCc1c(C)sc(NC(=O)c2ccc(C[NH+](CC)CC)o2)c1C#N ZINC000727790369 1043290349 /nfs/dbraw/zinc/29/03/49/1043290349.db2.gz FFTUQGNKTXBOMW-UHFFFAOYSA-N 1 0 345.468 4.178 20 30 EIEDRO N#Cc1cccc(OCC[N@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000059384460 1043329250 /nfs/dbraw/zinc/32/92/50/1043329250.db2.gz QSQFQZDQDHCKPI-UHFFFAOYSA-N 1 0 332.403 4.232 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[N@H+]2[C@@H]3CC[C@H]2CC(F)(F)C3)cc1 ZINC000625683002 1043341688 /nfs/dbraw/zinc/34/16/88/1043341688.db2.gz JROLADJXIJUFRO-GASCZTMLSA-N 1 0 329.312 4.319 20 30 EIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000733902302 1043363663 /nfs/dbraw/zinc/36/36/63/1043363663.db2.gz PFRWHVRGOPGWPQ-RDTXWAMCSA-N 1 0 330.432 4.037 20 30 EIEDRO N#Cc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc2ccccc12 ZINC000312037168 1043381222 /nfs/dbraw/zinc/38/12/22/1043381222.db2.gz ZNAUDNQKOOIZTF-SFHVURJKSA-N 1 0 342.446 4.040 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=S)Nc2ccc(C(C)C)cc2)CC1 ZINC000729942009 1043410759 /nfs/dbraw/zinc/41/07/59/1043410759.db2.gz FQEVLVQVQKWRKS-UHFFFAOYSA-N 1 0 331.529 4.137 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]C[C@@](O)(c1ccc(Cl)cc1)C(F)(F)F ZINC000751504990 1043428740 /nfs/dbraw/zinc/42/87/40/1043428740.db2.gz MPUMQEMYQKLONL-OAHLLOKOSA-N 1 0 348.796 4.009 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1csc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000730018829 1043434782 /nfs/dbraw/zinc/43/47/82/1043434782.db2.gz AZZXZFRDUZUAEY-UONOGXRCSA-N 1 0 349.459 4.451 20 30 EIEDRO CC[C@]1(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)OCCc2ccccc21 ZINC000520900016 1043437091 /nfs/dbraw/zinc/43/70/91/1043437091.db2.gz HZOUFWHKTXSTBW-YCRPNKLZSA-N 1 0 338.426 4.226 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)cc1 ZINC000520965507 1043465109 /nfs/dbraw/zinc/46/51/09/1043465109.db2.gz CVKOEKROUGVDCB-INIZCTEOSA-N 1 0 339.435 4.091 20 30 EIEDRO Cc1cc(C#N)ccc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000438901206 1043512197 /nfs/dbraw/zinc/51/21/97/1043512197.db2.gz OQXFYQOGKORCND-UHFFFAOYSA-N 1 0 347.462 4.147 20 30 EIEDRO CCOc1cccc(/C=N/Cc2ccccc2C[NH+](CC)CC)c1O ZINC000730547964 1043554535 /nfs/dbraw/zinc/55/45/35/1043554535.db2.gz CCCADOPCQDKEQQ-PXLXIMEGSA-N 1 0 340.467 4.252 20 30 EIEDRO COc1cccc(/C=N\Cc2ccccc2C[NH+]2CCCCC2)c1O ZINC000730548331 1043555279 /nfs/dbraw/zinc/55/52/79/1043555279.db2.gz HTFDTWUNPBQJQC-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000189818744 1043649016 /nfs/dbraw/zinc/64/90/16/1043649016.db2.gz GDOWERUYRPIMMC-VIFPVBQESA-N 1 0 347.274 4.273 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000521266522 1043674351 /nfs/dbraw/zinc/67/43/51/1043674351.db2.gz CTXCWGYVQKGIOJ-UHFFFAOYSA-N 1 0 335.879 4.298 20 30 EIEDRO COc1cc(C[NH2+]Cc2cnc(C3CCCCC3)s2)ccc1C#N ZINC000554981290 1043705088 /nfs/dbraw/zinc/70/50/88/1043705088.db2.gz CIFDMQPFSCRJTP-UHFFFAOYSA-N 1 0 341.480 4.361 20 30 EIEDRO CCOc1ccc(C[N@H+](Cc2ccc(OCC#N)cc2)C(C)C)cc1 ZINC000731211832 1043713516 /nfs/dbraw/zinc/71/35/16/1043713516.db2.gz DCXJLFAQEBFPFD-UHFFFAOYSA-N 1 0 338.451 4.398 20 30 EIEDRO CC(C)=CCC[C@@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000543073046 1043738612 /nfs/dbraw/zinc/73/86/12/1043738612.db2.gz WBLTYMAUZOLUOG-IPJUCJBFSA-N 1 0 327.472 4.368 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2C)CC1 ZINC000731465223 1043754778 /nfs/dbraw/zinc/75/47/78/1043754778.db2.gz FAEASAXHIYWJFD-UHFFFAOYSA-N 1 0 348.446 4.071 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000172397056 1043769026 /nfs/dbraw/zinc/76/90/26/1043769026.db2.gz DDDOFLNQYXLGPH-SFHVURJKSA-N 1 0 334.463 4.343 20 30 EIEDRO CC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)Oc1cccc(C(F)(F)F)c1 ZINC000442791777 1043841400 /nfs/dbraw/zinc/84/14/00/1043841400.db2.gz MOIBHSSSEJQIBQ-VHDGCEQUSA-N 1 0 326.362 4.145 20 30 EIEDRO C=C[C@H](CC)CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001127295288 1043849169 /nfs/dbraw/zinc/84/91/69/1043849169.db2.gz TWRQADGMCJROTI-NLWGTHIKSA-N 1 0 328.500 4.006 20 30 EIEDRO C[C@@H](C/N=C/c1c(O)ccc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000731937314 1043850526 /nfs/dbraw/zinc/85/05/26/1043850526.db2.gz JBAPUQQYOPHVIU-BDFKGGEMSA-N 1 0 332.447 4.485 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000494621587 1043856041 /nfs/dbraw/zinc/85/60/41/1043856041.db2.gz PWZNIBBFSWMHGS-YPAWHYETSA-N 1 0 344.458 4.272 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000442871682 1043871363 /nfs/dbraw/zinc/87/13/63/1043871363.db2.gz MHKMMWHVYTVIKZ-HKUYNNGSSA-N 1 0 334.891 4.195 20 30 EIEDRO C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@H]4CC[C@@H](C#N)C4)cc3)ccc2O1 ZINC000442853389 1043874653 /nfs/dbraw/zinc/87/46/53/1043874653.db2.gz ZOKSDXPQDFCFEK-CEQIKUNHSA-N 1 0 332.447 4.459 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(Cc3ccccc3F)CC2)cc1 ZINC000732214632 1043885725 /nfs/dbraw/zinc/88/57/25/1043885725.db2.gz MZLMEZNTTFHUMB-UHFFFAOYSA-N 1 0 338.426 4.183 20 30 EIEDRO Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000543140974 1043964655 /nfs/dbraw/zinc/96/46/55/1043964655.db2.gz ZZNFMYJVRJQSGW-UHFFFAOYSA-N 1 0 332.447 4.156 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000732670803 1043981732 /nfs/dbraw/zinc/98/17/32/1043981732.db2.gz LWXUBRNXFPRRLA-IBGZPJMESA-N 1 0 344.474 4.167 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000732670804 1043982069 /nfs/dbraw/zinc/98/20/69/1043982069.db2.gz LWXUBRNXFPRRLA-LJQANCHMSA-N 1 0 344.474 4.167 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000521828214 1043996307 /nfs/dbraw/zinc/99/63/07/1043996307.db2.gz KNYWBUCVCZLNRK-RXVVDRJESA-N 1 0 336.479 4.177 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2)ccc1Oc1cccnc1 ZINC000732817745 1044013499 /nfs/dbraw/zinc/01/34/99/1044013499.db2.gz IXGVZBHUNRYCTA-UHFFFAOYSA-N 1 0 329.403 4.344 20 30 EIEDRO CC(C)(C#N)c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000193466858 1044061812 /nfs/dbraw/zinc/06/18/12/1044061812.db2.gz KWDGOAQFLNOBTK-UHFFFAOYSA-N 1 0 347.462 4.336 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000245826316 1044193827 /nfs/dbraw/zinc/19/38/27/1044193827.db2.gz AZBJEJBNTXBGGB-BKTGTZMESA-N 1 0 326.827 4.392 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]CCc2cccc(C#N)c2)c2cc([N+](=O)[O-])ccc21 ZINC000467449567 1044203496 /nfs/dbraw/zinc/20/34/96/1044203496.db2.gz QNQLVAVVTCOZSM-LJQANCHMSA-N 1 0 335.407 4.021 20 30 EIEDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000766114412 1044208623 /nfs/dbraw/zinc/20/86/23/1044208623.db2.gz UUEADAIZHNYEIW-GDBMZVCRSA-N 1 0 326.465 4.191 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000174039454 1044214042 /nfs/dbraw/zinc/21/40/42/1044214042.db2.gz JRSOAGPPONSGSR-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000174076214 1044217706 /nfs/dbraw/zinc/21/77/06/1044217706.db2.gz ZHNGJIZRQIZRED-BOSCWZPRSA-N 1 0 345.490 4.404 20 30 EIEDRO C[C@@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174104100 1044219228 /nfs/dbraw/zinc/21/92/28/1044219228.db2.gz GTLPRCMKKQVHHK-MSOLQXFVSA-N 1 0 333.479 4.434 20 30 EIEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)[C@H](c2ccco2)C1 ZINC000174509958 1044283597 /nfs/dbraw/zinc/28/35/97/1044283597.db2.gz ZYIPPDSSVYBYGI-HIFRSBDPSA-N 1 0 343.452 4.015 20 30 EIEDRO CC(C)c1nc(C#N)c(N=NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)o1 ZINC000733746705 1044298845 /nfs/dbraw/zinc/29/88/45/1044298845.db2.gz ACJJXEGSPSROGH-ZBFHGGJFSA-N 1 0 343.475 4.112 20 30 EIEDRO C=CCCC[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000172943673 1044332114 /nfs/dbraw/zinc/33/21/14/1044332114.db2.gz YAIRQYDMDMNHKC-HXUWFJFHSA-N 1 0 343.492 4.044 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000466399743 1044389194 /nfs/dbraw/zinc/38/91/94/1044389194.db2.gz PVGOKASIYWOGAT-HNNXBMFYSA-N 1 0 334.261 4.079 20 30 EIEDRO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1cc(C#N)cs1 ZINC000531848281 1044391186 /nfs/dbraw/zinc/39/11/86/1044391186.db2.gz HKLHIAVQSBHBNH-AWEZNQCLSA-N 1 0 349.297 4.493 20 30 EIEDRO COc1ccccc1[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)OC(C)C ZINC000185014379 1044413909 /nfs/dbraw/zinc/41/39/09/1044413909.db2.gz VZRCVCHUJJRBMK-IIBYNOLFSA-N 1 0 338.451 4.384 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2csc(-c3ccsc3)n2)c1 ZINC000466412802 1044417066 /nfs/dbraw/zinc/41/70/66/1044417066.db2.gz XBQVDOFPBRQNNE-UHFFFAOYSA-N 1 0 325.462 4.076 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2csc(-c3cccs3)n2)c1 ZINC000466426783 1044442478 /nfs/dbraw/zinc/44/24/78/1044442478.db2.gz TVMDQLLWACOPQI-UHFFFAOYSA-N 1 0 325.462 4.076 20 30 EIEDRO C[NH+](C)CCc1ccc(CNc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000466438621 1044464272 /nfs/dbraw/zinc/46/42/72/1044464272.db2.gz MXLOYILXWMWTKZ-UHFFFAOYSA-N 1 0 347.384 4.293 20 30 EIEDRO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001168473403 1044475471 /nfs/dbraw/zinc/47/54/71/1044475471.db2.gz KNMQLKZOOABYII-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N\CC[N@@H+]1CCc2ccccc2C1 ZINC000914556713 1044478425 /nfs/dbraw/zinc/47/84/25/1044478425.db2.gz FPQATGKZHHUSBR-HAHDFKILSA-N 1 0 330.431 4.023 20 30 EIEDRO C=CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000494923037 1044521018 /nfs/dbraw/zinc/52/10/18/1044521018.db2.gz KRTJMJSJRKCFCV-QFIPXVFZSA-N 1 0 348.490 4.259 20 30 EIEDRO C[C@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000734296646 1044524368 /nfs/dbraw/zinc/52/43/68/1044524368.db2.gz SUVFGBOQVBDMCH-HNNXBMFYSA-N 1 0 338.411 4.047 20 30 EIEDRO Cc1[nH+]c(CN=Nc2nc(-c3ccccc3)cs2)c2ccccn12 ZINC000914599714 1044563799 /nfs/dbraw/zinc/56/37/99/1044563799.db2.gz KUHAENGYJNPEAX-UHFFFAOYSA-N 1 0 333.420 4.212 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)C2CCCCC2)c(C#N)c1C ZINC000542530717 1044579405 /nfs/dbraw/zinc/57/94/05/1044579405.db2.gz HFONSWDMVLFNMR-SNPRPXQTSA-N 1 0 345.487 4.290 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCc3ccc(Br)cc32)c1 ZINC000193160066 1044656006 /nfs/dbraw/zinc/65/60/06/1044656006.db2.gz LTRKBHJTIUOGBZ-QGZVFWFLSA-N 1 0 327.225 4.098 20 30 EIEDRO CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000118455437 1044671781 /nfs/dbraw/zinc/67/17/81/1044671781.db2.gz COTMCSZMXKZGDX-ICSRJNTNSA-N 1 0 344.499 4.300 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)[C@H](C)c1ccccc1 ZINC000543472145 1044676114 /nfs/dbraw/zinc/67/61/14/1044676114.db2.gz BOXPEZIEZDFIHZ-UONOGXRCSA-N 1 0 330.378 4.441 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)cc(OC)c1OC ZINC000237261213 1044682660 /nfs/dbraw/zinc/68/26/60/1044682660.db2.gz SMWIPIGPOBYSCF-KDOFPFPSSA-N 1 0 341.451 4.439 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccccc1OCc1ccccn1 ZINC000495171368 1044750681 /nfs/dbraw/zinc/75/06/81/1044750681.db2.gz ZVLDQLHZTHFBQF-UHFFFAOYSA-N 1 0 348.446 4.484 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1coc2ccccc21 ZINC000826785410 1044805091 /nfs/dbraw/zinc/80/50/91/1044805091.db2.gz VLYOZHCCELPILY-OAHLLOKOSA-N 1 0 346.434 4.019 20 30 EIEDRO C=CCCC[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)c1ccccc1 ZINC000895639098 1044834510 /nfs/dbraw/zinc/83/45/10/1044834510.db2.gz YKYIIESPJXACFM-GOSISDBHSA-N 1 0 336.435 4.205 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC000922599359 1044837007 /nfs/dbraw/zinc/83/70/07/1044837007.db2.gz GDKZRUOWJHAFDB-UHFFFAOYSA-N 1 0 346.478 4.019 20 30 EIEDRO CSc1ccc([C@H](CNc2ccc(C#N)cc2F)[NH+](C)C)cc1 ZINC000555262248 1044854510 /nfs/dbraw/zinc/85/45/10/1044854510.db2.gz IHBOEHGZGUAVKG-SFHVURJKSA-N 1 0 329.444 4.134 20 30 EIEDRO C[C@@H]1SCC[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000735673795 1044857264 /nfs/dbraw/zinc/85/72/64/1044857264.db2.gz HBPOIQSYBYINES-OXJNMPFZSA-N 1 0 338.476 4.268 20 30 EIEDRO CC[N@H+](CCC(=O)c1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000509261197 1044867495 /nfs/dbraw/zinc/86/74/95/1044867495.db2.gz AVPBDJLZAWJOKW-INIZCTEOSA-N 1 0 336.435 4.223 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000922677658 1044884124 /nfs/dbraw/zinc/88/41/24/1044884124.db2.gz PXKFHVYHJFOPTK-CVEARBPZSA-N 1 0 340.389 4.077 20 30 EIEDRO CSCC[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000736365611 1044931078 /nfs/dbraw/zinc/93/10/78/1044931078.db2.gz ZNKRLOMHEKEAEG-INIZCTEOSA-N 1 0 340.492 4.368 20 30 EIEDRO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C)c(C#N)c2)cc1OC ZINC000922762971 1044932804 /nfs/dbraw/zinc/93/28/04/1044932804.db2.gz QLNXSDLJGAJRRA-UHFFFAOYSA-N 1 0 344.842 4.217 20 30 EIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1nc2ccc(Cl)cc2n1C ZINC000282380920 1044964761 /nfs/dbraw/zinc/96/47/61/1044964761.db2.gz QRNAWLMTDLSHAY-HSBZDZAISA-N 1 0 330.863 4.207 20 30 EIEDRO C[NH+](C)CC[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)c1cccnc1 ZINC000895891578 1044966324 /nfs/dbraw/zinc/96/63/24/1044966324.db2.gz JBKARUOZSYBEHP-KRWDZBQOSA-N 1 0 348.372 4.077 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NCc3cc(C#N)cs3)cc2)C1 ZINC000156108049 1045006477 /nfs/dbraw/zinc/00/64/77/1045006477.db2.gz QTAZWJWDIBWAFG-OAHLLOKOSA-N 1 0 325.481 4.464 20 30 EIEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000392091257 1045014848 /nfs/dbraw/zinc/01/48/48/1045014848.db2.gz JUFWBSGGBZIKGH-AWEZNQCLSA-N 1 0 341.842 4.233 20 30 EIEDRO CC1(c2cccc(Br)c2)CC[NH+](CCCCC#N)CC1 ZINC000509055758 1045021332 /nfs/dbraw/zinc/02/13/32/1045021332.db2.gz MGDBUZULEHIFIN-UHFFFAOYSA-N 1 0 335.289 4.496 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)cc1 ZINC000766003435 1045024783 /nfs/dbraw/zinc/02/47/83/1045024783.db2.gz VDSKFBGJUXMLAM-OXQOHEQNSA-N 1 0 345.870 4.376 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C#N)c(F)c1 ZINC000495431142 1045099942 /nfs/dbraw/zinc/09/99/42/1045099942.db2.gz APLOBQIZJUPYJP-NSHDSACASA-N 1 0 347.777 4.152 20 30 EIEDRO Oc1cccc(/C=N\C[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)c1O ZINC000915113194 1045110912 /nfs/dbraw/zinc/11/09/12/1045110912.db2.gz QHRJSASOGFWUPE-CTPANLQCSA-N 1 0 344.842 4.007 20 30 EIEDRO CC(C)[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000915113257 1045111599 /nfs/dbraw/zinc/11/15/99/1045111599.db2.gz SJNDPFXOYZCYBG-ZWAQGKOVSA-N 1 0 339.483 4.116 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@@H](c2ccsc2)[NH+](CC)CC)c1 ZINC000915114125 1045114995 /nfs/dbraw/zinc/11/49/95/1045114995.db2.gz DUCIKURORFXZPP-HRVJUDJTSA-N 1 0 346.496 4.354 20 30 EIEDRO N#Cc1ccc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)s1 ZINC000393827648 1045133665 /nfs/dbraw/zinc/13/36/65/1045133665.db2.gz IHTMPGYYMYQMDD-SFHVURJKSA-N 1 0 339.508 4.012 20 30 EIEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509432131 1045160480 /nfs/dbraw/zinc/16/04/80/1045160480.db2.gz XWZIUSVPRWGBBV-INIZCTEOSA-N 1 0 346.268 4.143 20 30 EIEDRO CC[C@H]1CCCCCN1CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000739926331 1045175678 /nfs/dbraw/zinc/17/56/78/1045175678.db2.gz DEWOJOIDEKACDY-GJZGRUSLSA-N 1 0 341.480 4.127 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1C)c1ccncc1 ZINC000766019133 1045212043 /nfs/dbraw/zinc/21/20/43/1045212043.db2.gz KDVWRPNEUKWOTH-QAPCUYQASA-N 1 0 326.440 4.375 20 30 EIEDRO CCCCCCC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000740877815 1045235140 /nfs/dbraw/zinc/23/51/40/1045235140.db2.gz ZGJGHWNOFSTWPF-UHFFFAOYSA-N 1 0 328.298 4.253 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](CCOC)Cc1cccc(F)c1)c1ccncc1 ZINC000766022825 1045235315 /nfs/dbraw/zinc/23/53/15/1045235315.db2.gz XOFVVXXXQYOFHL-UXHICEINSA-N 1 0 328.431 4.075 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(Br)c1 ZINC000611080827 1045251205 /nfs/dbraw/zinc/25/12/05/1045251205.db2.gz RJNKGISDGSBSTK-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H]1CCSC1 ZINC000130598629 1045280158 /nfs/dbraw/zinc/28/01/58/1045280158.db2.gz NYDCPPKOUIDMNC-IBGZPJMESA-N 1 0 338.476 4.075 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611350340 1045287851 /nfs/dbraw/zinc/28/78/51/1045287851.db2.gz JDJOPEYCTZFJSG-MSOLQXFVSA-N 1 0 326.484 4.126 20 30 EIEDRO COc1ccc(-c2cc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)on2)cc1 ZINC000611381565 1045292205 /nfs/dbraw/zinc/29/22/05/1045292205.db2.gz PRIFGEFGWMQESW-AWEZNQCLSA-N 1 0 333.391 4.073 20 30 EIEDRO CC(C)[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000611366230 1045292755 /nfs/dbraw/zinc/29/27/55/1045292755.db2.gz VFWBTNJLJAUHQP-QGZVFWFLSA-N 1 0 340.298 4.268 20 30 EIEDRO COc1ccccc1-c1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)on1 ZINC000611381713 1045293567 /nfs/dbraw/zinc/29/35/67/1045293567.db2.gz NMFQGOAPQJTBEI-CQSZACIVSA-N 1 0 333.391 4.073 20 30 EIEDRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611386737 1045294478 /nfs/dbraw/zinc/29/44/78/1045294478.db2.gz SZBWGRWYGPOMQD-KRWDZBQOSA-N 1 0 335.451 4.245 20 30 EIEDRO Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611386133 1045295592 /nfs/dbraw/zinc/29/55/92/1045295592.db2.gz DMQAFYKCTFNNOR-MRXNPFEDSA-N 1 0 335.451 4.279 20 30 EIEDRO CCCC(=O)Nc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390687 1045296707 /nfs/dbraw/zinc/29/67/07/1045296707.db2.gz OPOYFKVGPCKXAJ-NRFANRHFSA-N 1 0 347.462 4.464 20 30 EIEDRO Cc1ccc([C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)N2CCCC2)o1 ZINC000611392196 1045296956 /nfs/dbraw/zinc/29/69/56/1045296956.db2.gz JVJFXASUZZLUHK-NHCUHLMSSA-N 1 0 349.478 4.264 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2ccnc2)c1 ZINC000611393449 1045297775 /nfs/dbraw/zinc/29/77/75/1045297775.db2.gz UHZKUUXCCDUIGL-KSFYIVLOSA-N 1 0 342.446 4.472 20 30 EIEDRO COc1ccc2[nH]cc(CC[NH2+][C@H]3CCCc4cc(C#N)ccc43)c2c1 ZINC000611392917 1045298611 /nfs/dbraw/zinc/29/86/11/1045298611.db2.gz VMXBFADYMDCIQM-NRFANRHFSA-N 1 0 345.446 4.258 20 30 EIEDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394128 1045298701 /nfs/dbraw/zinc/29/87/01/1045298701.db2.gz KUOUPFLGESKZTM-MOPGFXCFSA-N 1 0 334.419 4.058 20 30 EIEDRO C[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)N(C)Cc1ccccc1 ZINC000611392679 1045299600 /nfs/dbraw/zinc/29/96/00/1045299600.db2.gz CUDVOSGQNRTLHY-HTAPYJJXSA-N 1 0 333.479 4.046 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611395036 1045301251 /nfs/dbraw/zinc/30/12/51/1045301251.db2.gz FMHJBOULSCGVRW-GOSISDBHSA-N 1 0 328.456 4.037 20 30 EIEDRO CC(C)C([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000611434166 1045305264 /nfs/dbraw/zinc/30/52/64/1045305264.db2.gz SSUHKTZWQYLYFI-OAHLLOKOSA-N 1 0 347.528 4.147 20 30 EIEDRO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)Cc2ccnc(C#N)c2)C(C)(C)O1 ZINC000611484072 1045318250 /nfs/dbraw/zinc/31/82/50/1045318250.db2.gz HFEHGMAKMROTDL-HXUWFJFHSA-N 1 0 349.478 4.302 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]C1CCN(CC#N)CC1)c1cc2ccccc2o1 ZINC000611522792 1045321256 /nfs/dbraw/zinc/32/12/56/1045321256.db2.gz GWVLVVOPTKAJKV-LJQANCHMSA-N 1 0 325.456 4.098 20 30 EIEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272317661 1045412765 /nfs/dbraw/zinc/41/27/65/1045412765.db2.gz VEIFOSYJQCTVIB-INIZCTEOSA-N 1 0 347.462 4.117 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@@H+]2CCCCC#N)C1 ZINC000495982896 1045453437 /nfs/dbraw/zinc/45/34/37/1045453437.db2.gz PEHBOSHNALAKCV-ROUUACIJSA-N 1 0 349.519 4.182 20 30 EIEDRO CCC[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168498680 1045462254 /nfs/dbraw/zinc/46/22/54/1045462254.db2.gz SLCBYMIWSYOAIK-LJQANCHMSA-N 1 0 330.378 4.346 20 30 EIEDRO CC(C)[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC000533529653 1045545019 /nfs/dbraw/zinc/54/50/19/1045545019.db2.gz CAHPDSUBSCDKSQ-UHFFFAOYSA-N 1 0 345.512 4.090 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCC(NC(=O)OCC)CC1)c1ccccc1 ZINC000790745757 1045574065 /nfs/dbraw/zinc/57/40/65/1045574065.db2.gz HNLROZUPOIACQZ-ACBHZAAOSA-N 1 0 330.472 4.341 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(OCC#N)cc2)cc(C)c1OC(F)F ZINC000171769766 1045585337 /nfs/dbraw/zinc/58/53/37/1045585337.db2.gz PMJRMSJXOUQNOM-UHFFFAOYSA-N 1 0 346.377 4.097 20 30 EIEDRO Cc1cc(CNc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)ccc1C#N ZINC000767688206 1045612356 /nfs/dbraw/zinc/61/23/56/1045612356.db2.gz BPIISCQSWZZLRT-QGZVFWFLSA-N 1 0 349.478 4.199 20 30 EIEDRO Cc1ccc([C@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)c(C)c1 ZINC001169978437 1045695571 /nfs/dbraw/zinc/69/55/71/1045695571.db2.gz AFIYWJKHWPCNPD-FQEVSTJZSA-N 1 0 334.463 4.434 20 30 EIEDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768470796 1045812297 /nfs/dbraw/zinc/81/22/97/1045812297.db2.gz KAEXLIXMILQGOS-QGZVFWFLSA-N 1 0 338.451 4.398 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247335253 1045847237 /nfs/dbraw/zinc/84/72/37/1045847237.db2.gz XDVBIQSFUFMGIA-IEBWSBKVSA-N 1 0 338.451 4.169 20 30 EIEDRO CCN(CC)c1ccc(C=[NH+]NCc2cccc3cccnc32)cc1 ZINC000915961542 1045856475 /nfs/dbraw/zinc/85/64/75/1045856475.db2.gz AGCMSLHZJOTGIU-UHFFFAOYSA-N 1 0 332.451 4.205 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]CCC2CCCCC2)ccc1OC ZINC000792174162 1045871817 /nfs/dbraw/zinc/87/18/17/1045871817.db2.gz POTOTKJAAWIWRG-GOSISDBHSA-N 1 0 330.472 4.436 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]CCC2CCCCC2)ccc1OC ZINC000792174163 1045872798 /nfs/dbraw/zinc/87/27/98/1045872798.db2.gz POTOTKJAAWIWRG-SFHVURJKSA-N 1 0 330.472 4.436 20 30 EIEDRO C[NH+](C)CCOc1ccc(C=NNc2cccc3ccccc32)cc1 ZINC000747059980 1045882349 /nfs/dbraw/zinc/88/23/49/1045882349.db2.gz FKDLCIXVIYMSOR-UHFFFAOYSA-N 1 0 333.435 4.226 20 30 EIEDRO CN(C(=O)OC(C)(C)C)C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000496280994 1045893979 /nfs/dbraw/zinc/89/39/79/1045893979.db2.gz DUOKXUATDLPOAF-UHFFFAOYSA-N 1 0 337.508 4.038 20 30 EIEDRO Cc1ccc(C)n1C1CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000769210179 1045896021 /nfs/dbraw/zinc/89/60/21/1045896021.db2.gz XOXOCWQQYMUHPQ-GOSISDBHSA-N 1 0 337.467 4.233 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001170185022 1045916995 /nfs/dbraw/zinc/91/69/95/1045916995.db2.gz SMXJOYXCMACSOL-PZJWPPBQSA-N 1 0 341.451 4.070 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(c3cccc(F)c3)CC2)cc1 ZINC000769388685 1045946651 /nfs/dbraw/zinc/94/66/51/1045946651.db2.gz HPFTYLMHIZNHHI-INIZCTEOSA-N 1 0 338.426 4.496 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000769395494 1045968128 /nfs/dbraw/zinc/96/81/28/1045968128.db2.gz HVUDVEPLPXRYQB-UHFFFAOYSA-N 1 0 328.415 4.050 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769446739 1045973841 /nfs/dbraw/zinc/97/38/41/1045973841.db2.gz TUGHWOFQPJZQBM-WIYYLYMNSA-N 1 0 333.479 4.414 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000161515098 1045994696 /nfs/dbraw/zinc/99/46/96/1045994696.db2.gz ASBJUDVDEKJIIP-HNNXBMFYSA-N 1 0 326.396 4.319 20 30 EIEDRO CCOc1ccc(C=Nc2cccc(CC[NH+]3CCCC3)c2)c(O)c1 ZINC000769549119 1046015782 /nfs/dbraw/zinc/01/57/82/1046015782.db2.gz NOWSEODQWLSKTP-UHFFFAOYSA-N 1 0 338.451 4.180 20 30 EIEDRO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170362136 1046016515 /nfs/dbraw/zinc/01/65/15/1046016515.db2.gz NGDJBHZTAZFTOG-OCDPCBSRSA-N 1 0 328.500 4.310 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001170389046 1046025747 /nfs/dbraw/zinc/02/57/47/1046025747.db2.gz JVVPANPVZJTIOY-JSRJAPPDSA-N 1 0 331.463 4.275 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC3(CCOCC3)CC2)CC1 ZINC001170395689 1046028703 /nfs/dbraw/zinc/02/87/03/1046028703.db2.gz MMDHJDJJYSXVAC-UHFFFAOYSA-N 1 0 338.495 4.283 20 30 EIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CCOc1ccccc1C#N ZINC001168509923 1046029003 /nfs/dbraw/zinc/02/90/03/1046029003.db2.gz PVTOKWLEMNJIKK-IBGZPJMESA-N 1 0 338.451 4.323 20 30 EIEDRO CC(C)Cn1cnc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC001170373371 1046030781 /nfs/dbraw/zinc/03/07/81/1046030781.db2.gz DYGVCJVYBNMQIR-UHFFFAOYSA-N 1 0 336.483 4.033 20 30 EIEDRO CC(C)(Cc1ccncc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170374377 1046031031 /nfs/dbraw/zinc/03/10/31/1046031031.db2.gz ZXBJTRRWWMHWOX-UHFFFAOYSA-N 1 0 333.479 4.396 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2(Cc3cccnc3)CC2)CC1 ZINC001170374263 1046031205 /nfs/dbraw/zinc/03/12/05/1046031205.db2.gz WWNYUZQRRMYSOK-UHFFFAOYSA-N 1 0 331.463 4.150 20 30 EIEDRO C[N@H+](Cc1cnc2ccccn12)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378469 1046032558 /nfs/dbraw/zinc/03/25/58/1046032558.db2.gz CLVJKEAHCHMQSS-UHFFFAOYSA-N 1 0 344.462 4.170 20 30 EIEDRO COC[C@@]12CCC[C@@H]1C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170381477 1046034034 /nfs/dbraw/zinc/03/40/34/1046034034.db2.gz QVYSPQFIRLHJOC-XBCQCDMNSA-N 1 0 338.495 4.139 20 30 EIEDRO C[N@H+](Cc1ccc(OCc2cccnc2)cc1)Cc1cccc(C#N)c1 ZINC000139229825 1046066759 /nfs/dbraw/zinc/06/67/59/1046066759.db2.gz RNABTFAAFQGDDT-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2ccc(F)cc2F)ccc1O ZINC000916540228 1046072299 /nfs/dbraw/zinc/07/22/99/1046072299.db2.gz QPHKKUJMUKNAAH-UHFFFAOYSA-N 1 0 347.409 4.348 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2ccc(C)cc2)ccc1O ZINC000916540197 1046073417 /nfs/dbraw/zinc/07/34/17/1046073417.db2.gz POBRLSKFWOBWST-UHFFFAOYSA-N 1 0 325.456 4.379 20 30 EIEDRO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000769785781 1046073546 /nfs/dbraw/zinc/07/35/46/1046073546.db2.gz DVWBSRWXZNWDBR-CVEARBPZSA-N 1 0 337.508 4.036 20 30 EIEDRO Cc1cc(C)cc(C2=CC[N@H+](Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000769962469 1046110886 /nfs/dbraw/zinc/11/08/86/1046110886.db2.gz RDLGDKICNRAVGX-UHFFFAOYSA-N 1 0 332.447 4.495 20 30 EIEDRO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000769935894 1046116635 /nfs/dbraw/zinc/11/66/35/1046116635.db2.gz DGDMLLQZHKGMIZ-QGZVFWFLSA-N 1 0 329.831 4.220 20 30 EIEDRO CC(C)(C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000770002126 1046127920 /nfs/dbraw/zinc/12/79/20/1046127920.db2.gz JMXICIBZSPFOON-VQIMIIECSA-N 1 0 325.500 4.235 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763413476 1046146414 /nfs/dbraw/zinc/14/64/14/1046146414.db2.gz MPRJAJYSNMMANS-BXTJHSDWSA-N 1 0 342.870 4.369 20 30 EIEDRO COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(C#N)c(F)c3)c2c1 ZINC000611465767 1046165124 /nfs/dbraw/zinc/16/51/24/1046165124.db2.gz KMJXQAMVVMIMIJ-CYBMUJFWSA-N 1 0 337.398 4.081 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000497016021 1046169149 /nfs/dbraw/zinc/16/91/49/1046169149.db2.gz LZTNAANIZUDIBV-QZTJIDSGSA-N 1 0 343.471 4.021 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(Br)c(Cl)c2)c1 ZINC000192165778 1046213084 /nfs/dbraw/zinc/21/30/84/1046213084.db2.gz YWVMZXWLYGEFPH-UHFFFAOYSA-N 1 0 335.632 4.264 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)cc1 ZINC000770748765 1046267282 /nfs/dbraw/zinc/26/72/82/1046267282.db2.gz VKSDNZLDECZXJR-HRAATJIYSA-N 1 0 341.426 4.094 20 30 EIEDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000287199812 1046300082 /nfs/dbraw/zinc/30/00/82/1046300082.db2.gz WGUOHCKVWPLBNR-ROUUACIJSA-N 1 0 338.451 4.235 20 30 EIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)c1 ZINC000282061259 1046313198 /nfs/dbraw/zinc/31/31/98/1046313198.db2.gz SEQWPJYOVYKWAJ-KRWDZBQOSA-N 1 0 330.472 4.225 20 30 EIEDRO CC[NH+](CC)Cc1cccc(CNc2cc(C(C)=O)ccc2C#N)c1 ZINC000347401752 1046317765 /nfs/dbraw/zinc/31/77/65/1046317765.db2.gz ROQGBLXBILTOOB-UHFFFAOYSA-N 1 0 335.451 4.215 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000154145509 1046334524 /nfs/dbraw/zinc/33/45/24/1046334524.db2.gz QAWGQNQUJJVCEQ-ROUUACIJSA-N 1 0 349.478 4.428 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2OC)cc1 ZINC000154175638 1046351500 /nfs/dbraw/zinc/35/15/00/1046351500.db2.gz ONADDUDWBLCYPM-CVEARBPZSA-N 1 0 339.435 4.128 20 30 EIEDRO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2ccc(C(C)(C)C)cc2)CC1 ZINC001170443251 1046372223 /nfs/dbraw/zinc/37/22/23/1046372223.db2.gz NUJOOOAKKLVSOW-IBGZPJMESA-N 1 0 329.484 4.281 20 30 EIEDRO COC(=O)c1cccc(C[NH2+]C2(c3cccc(C)c3)CCCC2)c1C#N ZINC000533762472 1046374824 /nfs/dbraw/zinc/37/48/24/1046374824.db2.gz WPJHTYLAZVWMIW-UHFFFAOYSA-N 1 0 348.446 4.212 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](CC(C)C)c2ccccc2)c(C#N)c1C ZINC000192513327 1046391549 /nfs/dbraw/zinc/39/15/49/1046391549.db2.gz VYXJGXZYQHRMJE-SFHVURJKSA-N 1 0 339.439 4.084 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](CCOC)c2ccco2)ccc1OC ZINC000272605907 1046395879 /nfs/dbraw/zinc/39/58/79/1046395879.db2.gz SXCQSJBRCSIKLB-QGZVFWFLSA-N 1 0 345.439 4.111 20 30 EIEDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000497218269 1046422768 /nfs/dbraw/zinc/42/27/68/1046422768.db2.gz BMXRNXSXQAXLHC-KBPBESRZSA-N 1 0 349.450 4.041 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](Cc2nc(C)no2)c2ccccc2)c1 ZINC000428645565 1046433755 /nfs/dbraw/zinc/43/37/55/1046433755.db2.gz ZBSBRNKQQUKSRR-FQEVSTJZSA-N 1 0 349.434 4.016 20 30 EIEDRO C[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1N1CCCC1 ZINC000916969289 1046531761 /nfs/dbraw/zinc/53/17/61/1046531761.db2.gz LFHGCPZUCGNVJN-UHFFFAOYSA-N 1 0 349.478 4.059 20 30 EIEDRO C[NH+]1C(C)(C)CC(Nc2cc(Cl)nc3[nH]cc(C#N)c32)CC1(C)C ZINC001170453568 1046553962 /nfs/dbraw/zinc/55/39/62/1046553962.db2.gz NWWQJCOTVQXEPI-UHFFFAOYSA-N 1 0 345.878 4.151 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(C)cc(OC)c2)ccc1OC ZINC000127159826 1046621512 /nfs/dbraw/zinc/62/15/12/1046621512.db2.gz PWEVFCDHAYXBOY-UHFFFAOYSA-N 1 0 341.451 4.257 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1c[nH]nc1-c1ccccc1 ZINC000536664631 1046639705 /nfs/dbraw/zinc/63/97/05/1046639705.db2.gz RJJYJXIRRAUGTJ-RTWAWAEBSA-N 1 0 342.446 4.348 20 30 EIEDRO COc1ccccc1/C=C\CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000536668525 1046643512 /nfs/dbraw/zinc/64/35/12/1046643512.db2.gz IQWPUBVYGIBIKX-NRYVHIMPSA-N 1 0 332.447 4.480 20 30 EIEDRO C=CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)C(C)C ZINC000917070597 1046648762 /nfs/dbraw/zinc/64/87/62/1046648762.db2.gz FLFMEZYMLUXHKS-HXUWFJFHSA-N 1 0 342.508 4.159 20 30 EIEDRO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000459515176 1046741523 /nfs/dbraw/zinc/74/15/23/1046741523.db2.gz PXJANKMRTYSYST-FZMZJTMJSA-N 1 0 341.333 4.067 20 30 EIEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000536745473 1046742562 /nfs/dbraw/zinc/74/25/62/1046742562.db2.gz WINBVHZGMIONAB-OWCLPIDISA-N 1 0 345.512 4.140 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(O)c(OCC)c1)c1ccc(F)c(F)c1 ZINC000459519479 1046743606 /nfs/dbraw/zinc/74/36/06/1046743606.db2.gz GCOGXLWHVDDUMP-LJQANCHMSA-N 1 0 333.378 4.476 20 30 EIEDRO C#C[C@](C)(CC)[NH2+]C1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001170467963 1046813592 /nfs/dbraw/zinc/81/35/92/1046813592.db2.gz FZBQQAWNEOPHRG-MBOZVWFJSA-N 1 0 336.520 4.335 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000536844108 1046818161 /nfs/dbraw/zinc/81/81/61/1046818161.db2.gz FXOYQIPGYXSBJC-LZWOXQAQSA-N 1 0 329.406 4.047 20 30 EIEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459692927 1046859603 /nfs/dbraw/zinc/85/96/03/1046859603.db2.gz IIKVXSINRLZTLB-VQTJNVASSA-N 1 0 326.484 4.355 20 30 EIEDRO CC(C)CCC[C@H](C)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001170064337 1046870093 /nfs/dbraw/zinc/87/00/93/1046870093.db2.gz NCAZVSPGQUTGKR-IBGZPJMESA-N 1 0 327.516 4.349 20 30 EIEDRO C=CCOc1ccc(CNc2ccc(C[NH+](C)C)c(C)c2)cc1OC ZINC000459744456 1046878970 /nfs/dbraw/zinc/87/89/70/1046878970.db2.gz RJDHCINTTJQDIY-UHFFFAOYSA-N 1 0 340.467 4.242 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000128465157 1046880596 /nfs/dbraw/zinc/88/05/96/1046880596.db2.gz UALCJHOEIJGPNI-ROUUACIJSA-N 1 0 347.384 4.027 20 30 EIEDRO Cc1cccc(OCCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1C ZINC000787003596 1046889819 /nfs/dbraw/zinc/88/98/19/1046889819.db2.gz ZDLNDLVZUCLKJP-SFHVURJKSA-N 1 0 338.451 4.326 20 30 EIEDRO CC[N@H+](Cc1cc(OC)c(OC)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497613455 1046890922 /nfs/dbraw/zinc/89/09/22/1046890922.db2.gz WZKUSBDUBMUWJY-MRXNPFEDSA-N 1 0 338.451 4.467 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cnn1-c1ccccc1 ZINC000787025350 1046893242 /nfs/dbraw/zinc/89/32/42/1046893242.db2.gz GEPZJQDTHXMXPD-IVZQSRNASA-N 1 0 342.446 4.391 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000537103288 1046932413 /nfs/dbraw/zinc/93/24/13/1046932413.db2.gz RMPIMCZMPJYFFM-MOPGFXCFSA-N 1 0 349.478 4.289 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000537131832 1046974678 /nfs/dbraw/zinc/97/46/78/1046974678.db2.gz CWTSELQTWRJNAU-HNNXBMFYSA-N 1 0 342.405 4.217 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N/C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000917557128 1046989428 /nfs/dbraw/zinc/98/94/28/1046989428.db2.gz YMJDJINJWQTXQT-WSDLNYQXSA-N 1 0 346.833 4.268 20 30 EIEDRO CCC[N@H+](CCCC(C)(C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000174847688 1047011932 /nfs/dbraw/zinc/01/19/32/1047011932.db2.gz FRZJOEBNIZIUMP-MRXNPFEDSA-N 1 0 337.508 4.038 20 30 EIEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CCC(F)(F)CC1 ZINC000805840847 1047030348 /nfs/dbraw/zinc/03/03/48/1047030348.db2.gz YUACRXHFRNPQIE-UHFFFAOYSA-N 1 0 328.790 4.252 20 30 EIEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826658 1047035311 /nfs/dbraw/zinc/03/53/11/1047035311.db2.gz GJLTYPQEOLPTRP-SFHVURJKSA-N 1 0 349.519 4.230 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@](F)(COC(=O)CCCCCC#N)C1 ZINC000805917624 1047053918 /nfs/dbraw/zinc/05/39/18/1047053918.db2.gz SYINUIGCMNULBV-XLIONFOSSA-N 1 0 346.446 4.179 20 30 EIEDRO COc1ccc(C[N@H+](CC2(C#N)CC2)[C@@H]2CCCC[C@H]2C)cc1OC ZINC000537290060 1047070844 /nfs/dbraw/zinc/07/08/44/1047070844.db2.gz IFALWTFMKBWKSF-SJLPKXTDSA-N 1 0 342.483 4.388 20 30 EIEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537297206 1047077275 /nfs/dbraw/zinc/07/72/75/1047077275.db2.gz PVOKSRCQJBTVKC-HSZRJFAPSA-N 1 0 345.490 4.108 20 30 EIEDRO CC[C@@H]1CC([N@@H+]2CC[C@@](C)(C#N)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170495487 1047085140 /nfs/dbraw/zinc/08/51/40/1047085140.db2.gz AACFTRANGHSPJW-QINHECLXSA-N 1 0 349.519 4.179 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000537305461 1047090367 /nfs/dbraw/zinc/09/03/67/1047090367.db2.gz UMRUFPYXMVDGPV-GKCIPKSASA-N 1 0 339.870 4.308 20 30 EIEDRO C#CCC1(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)CCCCC1 ZINC000788156378 1047121891 /nfs/dbraw/zinc/12/18/91/1047121891.db2.gz LBIGCSNANKMKMG-UHFFFAOYSA-N 1 0 340.511 4.118 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(Cl)cc1 ZINC000537405391 1047197593 /nfs/dbraw/zinc/19/75/93/1047197593.db2.gz IMWATHSDDSSZNT-SGTLLEGYSA-N 1 0 332.806 4.389 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCCCC)[C@@H](C)CCC)CC1 ZINC000476039539 1047245601 /nfs/dbraw/zinc/24/56/01/1047245601.db2.gz GEBRRHSSMQIQPB-SFHVURJKSA-N 1 0 337.552 4.417 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2Cc3cccc(C)c3CC2(C)C)cc1 ZINC001170507107 1047249686 /nfs/dbraw/zinc/24/96/86/1047249686.db2.gz LYOJNCWTCHUEBO-UHFFFAOYSA-N 1 0 346.474 4.142 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1ccc(OCC#N)cc1 ZINC000788619614 1047252489 /nfs/dbraw/zinc/25/24/89/1047252489.db2.gz JZBHDTYKPHCQRM-LLVKDONJSA-N 1 0 336.769 4.371 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000788641297 1047257898 /nfs/dbraw/zinc/25/78/98/1047257898.db2.gz CQDWWWZTSZVLTN-UZLBHIALSA-N 1 0 336.435 4.240 20 30 EIEDRO COc1c2ccccc2oc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000788970438 1047338479 /nfs/dbraw/zinc/33/84/79/1047338479.db2.gz SLJVGVJBOJLORQ-CQSZACIVSA-N 1 0 336.391 4.022 20 30 EIEDRO Cc1ccccc1-c1ccccc1C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000897599511 1047342866 /nfs/dbraw/zinc/34/28/66/1047342866.db2.gz NXHDULIWHDELAX-UHFFFAOYSA-N 1 0 347.458 4.500 20 30 EIEDRO O=C1C=COC2(CC[NH+](Cc3cc(-c4ccccc4)cs3)CC2)C1 ZINC000897602649 1047352736 /nfs/dbraw/zinc/35/27/36/1047352736.db2.gz TYNLXEIVPLOFMF-UHFFFAOYSA-N 1 0 339.460 4.253 20 30 EIEDRO N#Cc1ccc(CNc2cc[nH+]c(C3(C(F)(F)F)CC3)c2)cc1F ZINC001170095690 1047353650 /nfs/dbraw/zinc/35/36/50/1047353650.db2.gz MEDYHCNSNFFAHU-UHFFFAOYSA-N 1 0 335.304 4.298 20 30 EIEDRO CC(=[NH+]NCCc1ccccn1)c1ccc(N2CCCCCC2)cc1 ZINC000789103391 1047373937 /nfs/dbraw/zinc/37/39/37/1047373937.db2.gz VGOBXDFKPIAHPK-UHFFFAOYSA-N 1 0 336.483 4.018 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789360895 1047408443 /nfs/dbraw/zinc/40/84/43/1047408443.db2.gz AXNSKKGRJLRVNP-INIZCTEOSA-N 1 0 349.434 4.016 20 30 EIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)cc1Br ZINC001137638254 1047450406 /nfs/dbraw/zinc/45/04/06/1047450406.db2.gz ZITYEIYCFGWKJB-UHFFFAOYSA-N 1 0 347.231 4.134 20 30 EIEDRO Cc1cccnc1N=NC1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000790188232 1047532067 /nfs/dbraw/zinc/53/20/67/1047532067.db2.gz WIWQDWDSNAZTGU-RTBURBONSA-N 1 0 334.467 4.090 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](c2nccn2C)c2ccc(F)c(F)c2)C1 ZINC000898107223 1047548329 /nfs/dbraw/zinc/54/83/29/1047548329.db2.gz DMCRDPZJBWBVSK-SIIHOXLZSA-N 1 0 331.410 4.122 20 30 EIEDRO CCCCCCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000747443584 1047579038 /nfs/dbraw/zinc/57/90/38/1047579038.db2.gz OUTSCNKSKPEYSI-QGZVFWFLSA-N 1 0 336.545 4.437 20 30 EIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000556218690 1047593765 /nfs/dbraw/zinc/59/37/65/1047593765.db2.gz ZTTRKXZTZMZWEQ-INIZCTEOSA-N 1 0 327.472 4.252 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(-n2cccn2)c(F)c1 ZINC000556242890 1047611156 /nfs/dbraw/zinc/61/11/56/1047611156.db2.gz XIRKJJVSWDAJAG-XOBRGWDASA-N 1 0 346.409 4.221 20 30 EIEDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000130596271 1047748540 /nfs/dbraw/zinc/74/85/40/1047748540.db2.gz SWXSJYPAYNZMMS-KRWDZBQOSA-N 1 0 347.384 4.234 20 30 EIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000556599465 1047834955 /nfs/dbraw/zinc/83/49/55/1047834955.db2.gz SBCOQGAKODXXPU-UWJYYQICSA-N 1 0 337.511 4.180 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000556610154 1047840135 /nfs/dbraw/zinc/84/01/35/1047840135.db2.gz QXCRNGVXUZOZBN-CQSZACIVSA-N 1 0 345.446 4.128 20 30 EIEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000824242049 1047848108 /nfs/dbraw/zinc/84/81/08/1047848108.db2.gz HHLBQPRSWXFERP-MSOLQXFVSA-N 1 0 330.472 4.293 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000824424092 1047867606 /nfs/dbraw/zinc/86/76/06/1047867606.db2.gz XKPILNRHZFJYPQ-SJORKVTESA-N 1 0 329.488 4.392 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CSc3ccccc32)cc1 ZINC000824484014 1047874242 /nfs/dbraw/zinc/87/42/42/1047874242.db2.gz YBBGKPKXZDMDMX-KRWDZBQOSA-N 1 0 337.492 4.016 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCc3c(F)cccc32)cc1 ZINC000824469151 1047877660 /nfs/dbraw/zinc/87/76/60/1047877660.db2.gz ZGVHKLWUMYXXHK-NRFANRHFSA-N 1 0 337.442 4.343 20 30 EIEDRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]Cc1ccc(C#N)cn1 ZINC000808408035 1047897354 /nfs/dbraw/zinc/89/73/54/1047897354.db2.gz IFNWCLKRZZPREQ-NTUHNPAUSA-N 1 0 331.341 4.165 20 30 EIEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccc(Cl)cn3)CC2)cc1 ZINC001136930329 1047914917 /nfs/dbraw/zinc/91/49/17/1047914917.db2.gz LIHMARMBMOKEJY-UHFFFAOYSA-N 1 0 325.843 4.061 20 30 EIEDRO C[C@@H]1CCCCN1c1cccc(N[C@@H]2CCc3c2cccc3C#N)[nH+]1 ZINC001171064718 1047923269 /nfs/dbraw/zinc/92/32/69/1047923269.db2.gz LSNXISGIYSDUFV-DNVCBOLYSA-N 1 0 332.451 4.431 20 30 EIEDRO N#Cc1ccc(C(=[NH2+])N[C@H]2CCc3cc(Cl)cc(Cl)c3C2)cc1 ZINC001171065214 1047928860 /nfs/dbraw/zinc/92/88/60/1047928860.db2.gz VTKNHOMGKGXDTP-HNNXBMFYSA-N 1 0 344.245 4.128 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CCOCc2ccccc2)cc1 ZINC000808433335 1047945149 /nfs/dbraw/zinc/94/51/49/1047945149.db2.gz HPKLJZMQTZQRKD-ROUUACIJSA-N 1 0 338.451 4.062 20 30 EIEDRO C#Cc1cccc(C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2C)c1 ZINC000825226188 1048052782 /nfs/dbraw/zinc/05/27/82/1048052782.db2.gz FBFWYHPJPGFJKF-UHFFFAOYSA-N 1 0 343.474 4.128 20 30 EIEDRO C#Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(C)C)c1 ZINC000825226592 1048053992 /nfs/dbraw/zinc/05/39/92/1048053992.db2.gz KRJJFZNPPDHYEU-QGZVFWFLSA-N 1 0 334.463 4.298 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]CCc3ccc(Cl)cc3)CC2)cc1 ZINC000556859874 1048078318 /nfs/dbraw/zinc/07/83/18/1048078318.db2.gz ZICJPEFHUBJXIX-UHFFFAOYSA-N 1 0 339.870 4.013 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccccc1 ZINC000814660744 1048106190 /nfs/dbraw/zinc/10/61/90/1048106190.db2.gz ZSFHZFBQQILGMB-MOPGFXCFSA-N 1 0 328.843 4.398 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC000808788902 1048109955 /nfs/dbraw/zinc/10/99/55/1048109955.db2.gz XZBKSYJXECOMNH-XZOQPEGZSA-N 1 0 342.442 4.317 20 30 EIEDRO C#CCCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675837 1048113553 /nfs/dbraw/zinc/11/35/53/1048113553.db2.gz USTMFRMIZKDEBB-INIZCTEOSA-N 1 0 325.374 4.271 20 30 EIEDRO COc1ccccc1[C@@H]1CCN(Cc2c(Cl)cccc2C#N)C1 ZINC001143716077 1048163532 /nfs/dbraw/zinc/16/35/32/1048163532.db2.gz CSPWIESROJVMSG-OAHLLOKOSA-N 1 0 326.827 4.210 20 30 EIEDRO COc1ccc(NN=C(C)c2cccc(C[NH+](C)C)c2)cc1Cl ZINC000814902863 1048225877 /nfs/dbraw/zinc/22/58/77/1048225877.db2.gz XSBZFBIWKDKCPB-UHFFFAOYSA-N 1 0 331.847 4.246 20 30 EIEDRO CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]Cc1cc(C#N)ccn1 ZINC001170582185 1048394357 /nfs/dbraw/zinc/39/43/57/1048394357.db2.gz MPVDUPZQFLKEIZ-IBGZPJMESA-N 1 0 327.859 4.354 20 30 EIEDRO C#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000809621071 1048436502 /nfs/dbraw/zinc/43/65/02/1048436502.db2.gz ZXLDVCOGEUBKLM-UHFFFAOYSA-N 1 0 325.839 4.117 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3cccc(Cl)c3)CC2)nc1 ZINC001144153527 1048464674 /nfs/dbraw/zinc/46/46/74/1048464674.db2.gz CBHMWAOHZAEDIN-UHFFFAOYSA-N 1 0 325.843 4.061 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1)c1ccccc1 ZINC000815598957 1048532265 /nfs/dbraw/zinc/53/22/65/1048532265.db2.gz HFPSXPSFWFTOGS-RLLQIKCJSA-N 1 0 327.468 4.243 20 30 EIEDRO C=CCC1(C(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC001131901022 1048543838 /nfs/dbraw/zinc/54/38/38/1048543838.db2.gz RYJMYNUOCVIPIU-UHFFFAOYSA-N 1 0 340.511 4.151 20 30 EIEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000815637008 1048565691 /nfs/dbraw/zinc/56/56/91/1048565691.db2.gz IZOSFGQSBPQOPP-INIZCTEOSA-N 1 0 327.472 4.193 20 30 EIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815636361 1048566388 /nfs/dbraw/zinc/56/63/88/1048566388.db2.gz TYQFOECZRIAVBN-KBXCAEBGSA-N 1 0 338.411 4.263 20 30 EIEDRO SC1CC[NH+](Cc2ccc3ccccc3c2Br)CC1 ZINC001144313182 1048593086 /nfs/dbraw/zinc/59/30/86/1048593086.db2.gz WDWSADZBHWDUTB-UHFFFAOYSA-N 1 0 336.298 4.497 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc(C#N)c4ccsc43)c2c1 ZINC001171166546 1048602107 /nfs/dbraw/zinc/60/21/07/1048602107.db2.gz MIYOSLONGGWBLC-CYBMUJFWSA-N 1 0 346.459 4.310 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810035148 1048617324 /nfs/dbraw/zinc/61/73/24/1048617324.db2.gz ZYFGILPOYYHGGM-SFHVURJKSA-N 1 0 349.519 4.230 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(C#N)cc4[nH]ccc43)c2c1 ZINC001171169578 1048620112 /nfs/dbraw/zinc/62/01/12/1048620112.db2.gz PUKZXNICDDAAOU-CQSZACIVSA-N 1 0 328.419 4.182 20 30 EIEDRO N#CCSCCC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000074980974 1048635888 /nfs/dbraw/zinc/63/58/88/1048635888.db2.gz KPKGOXUNOJVAHR-UHFFFAOYSA-N 1 0 339.302 4.060 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)ccc1C#N ZINC000810132223 1048640791 /nfs/dbraw/zinc/64/07/91/1048640791.db2.gz JVHARHMGSZPEEV-KRWDZBQOSA-N 1 0 347.462 4.234 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(Br)cc1 ZINC001171179380 1048659648 /nfs/dbraw/zinc/65/96/48/1048659648.db2.gz RUVQXRZEANKIOK-CQSZACIVSA-N 1 0 343.268 4.084 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(Br)cc1 ZINC001171179376 1048660541 /nfs/dbraw/zinc/66/05/41/1048660541.db2.gz RUVQXRZEANKIOK-AWEZNQCLSA-N 1 0 343.268 4.084 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)ccc1C(F)(F)F ZINC001171183696 1048674272 /nfs/dbraw/zinc/67/42/72/1048674272.db2.gz IXRZHRSLAXEXAL-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(-c2nccs2)cc1 ZINC001171189798 1048687119 /nfs/dbraw/zinc/68/71/19/1048687119.db2.gz MEJFFURCYIJNAO-OAHLLOKOSA-N 1 0 333.460 4.403 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)cc1Br ZINC001171189779 1048687452 /nfs/dbraw/zinc/68/74/52/1048687452.db2.gz LMTIIRSBPCRYHX-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1c2ccccc2c2c1CC[C@H]([NH3+])C2 ZINC001171190064 1048693629 /nfs/dbraw/zinc/69/36/29/1048693629.db2.gz PGZOQLLZWOHDSE-YJBOKZPZSA-N 1 0 329.447 4.133 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001171189995 1048693698 /nfs/dbraw/zinc/69/36/98/1048693698.db2.gz OJGXWAMQRCKLEZ-SGTLLEGYSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](CO)c1ccc(Cl)cc1Cl ZINC001171190332 1048693837 /nfs/dbraw/zinc/69/38/37/1048693837.db2.gz SDKHEODUTMQDHE-KPZWWZAWSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171192344 1048698686 /nfs/dbraw/zinc/69/86/86/1048698686.db2.gz MTCSODSBDLWJMA-CRAIPNDOSA-N 1 0 329.447 4.133 20 30 EIEDRO CC(C)(C#N)CC(=O)Oc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000845720942 1048716929 /nfs/dbraw/zinc/71/69/29/1048716929.db2.gz WXZVYRAVROPJRE-UHFFFAOYSA-N 1 0 348.446 4.090 20 30 EIEDRO COc1cccc(CC(C)(C)C[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171198224 1048722405 /nfs/dbraw/zinc/72/24/05/1048722405.db2.gz IYLLHBNPQSYNJJ-KRWDZBQOSA-N 1 0 336.479 4.356 20 30 EIEDRO COc1ccc(CC2([NH2+][C@@H](C)Cc3cccc(C#N)c3)CCC2)cc1 ZINC001171198530 1048725752 /nfs/dbraw/zinc/72/57/52/1048725752.db2.gz MWHISETZKARGKJ-KRWDZBQOSA-N 1 0 334.463 4.253 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1cncc(Cl)c1)C1CC1 ZINC001171197993 1048729099 /nfs/dbraw/zinc/72/90/99/1048729099.db2.gz GSZPWYOFXFGLTA-BFUOFWGJSA-N 1 0 325.843 4.279 20 30 EIEDRO C=CCCCCCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000806003679 1048738562 /nfs/dbraw/zinc/73/85/62/1048738562.db2.gz SHYRNQDWMLPKRK-UHFFFAOYSA-N 1 0 335.536 4.219 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001171202860 1048764133 /nfs/dbraw/zinc/76/41/33/1048764133.db2.gz HFEXIUULDKSTKI-MRXNPFEDSA-N 1 0 344.462 4.179 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)C1 ZINC000845935556 1048767390 /nfs/dbraw/zinc/76/73/90/1048767390.db2.gz DZHUIERRFIEXSU-LZLYRXPVSA-N 1 0 346.490 4.182 20 30 EIEDRO CC[C@@H](OCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccccc1 ZINC000846021041 1048789444 /nfs/dbraw/zinc/78/94/44/1048789444.db2.gz UJDXDZLFSOFWRG-DYESRHJHSA-N 1 0 338.451 4.235 20 30 EIEDRO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)c1 ZINC001144717309 1048816603 /nfs/dbraw/zinc/81/66/03/1048816603.db2.gz KGUGVKYLTOZDTN-FQEVSTJZSA-N 1 0 331.419 4.083 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001144732389 1048833862 /nfs/dbraw/zinc/83/38/62/1048833862.db2.gz CXYBBBZGOIKOMV-UHFFFAOYSA-N 1 0 333.460 4.354 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001171216752 1048839965 /nfs/dbraw/zinc/83/99/65/1048839965.db2.gz KNAIPQZYXPGWRO-AEMJNJESSA-N 1 0 338.495 4.016 20 30 EIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)CN=Nc1nncc2ccccc21 ZINC000747626033 1048854858 /nfs/dbraw/zinc/85/48/58/1048854858.db2.gz QGNBKVANUZURAV-UHFFFAOYSA-N 1 0 347.466 4.186 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(COc2ccccc2)CC1 ZINC001171220612 1048855369 /nfs/dbraw/zinc/85/53/69/1048855369.db2.gz CNSQIYDXINPBKU-SFHVURJKSA-N 1 0 334.463 4.280 20 30 EIEDRO CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001171222084 1048858746 /nfs/dbraw/zinc/85/87/46/1048858746.db2.gz CQJYMCGRLJXPGG-CVDCTZTESA-N 1 0 347.506 4.086 20 30 EIEDRO CC(=O)C1(c2ccccc2)CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224573 1048863494 /nfs/dbraw/zinc/86/34/94/1048863494.db2.gz SZUIZYUIGVFSJR-SFHVURJKSA-N 1 0 346.474 4.112 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)N1CCOC[C@H]1c1ccccc1Cl ZINC001171230695 1048869342 /nfs/dbraw/zinc/86/93/42/1048869342.db2.gz GCAYSIJQBRTYEI-YWZLYKJASA-N 1 0 340.854 4.216 20 30 EIEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171230714 1048869876 /nfs/dbraw/zinc/86/98/76/1048869876.db2.gz XSDIQXUMSKBWTN-PGRDOPGGSA-N 1 0 348.490 4.453 20 30 EIEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171230704 1048870040 /nfs/dbraw/zinc/87/00/40/1048870040.db2.gz XSDIQXUMSKBWTN-AVRDEDQJSA-N 1 0 348.490 4.453 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001170860483 1048932612 /nfs/dbraw/zinc/93/26/12/1048932612.db2.gz IVJNVHHEYCHQSA-UXHICEINSA-N 1 0 338.426 4.375 20 30 EIEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847027844 1048982896 /nfs/dbraw/zinc/98/28/96/1048982896.db2.gz DFVILRHDTQRTKI-ROUUACIJSA-N 1 0 332.447 4.026 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCCc3occc3C2)ccc1OC ZINC000564329634 1049059022 /nfs/dbraw/zinc/05/90/22/1049059022.db2.gz CDRIAAXEBYOKPJ-UHFFFAOYSA-N 1 0 327.424 4.192 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1[N+](=O)[O-] ZINC000175056210 1049073888 /nfs/dbraw/zinc/07/38/88/1049073888.db2.gz VLWVPBVPMFNDHR-GJZGRUSLSA-N 1 0 339.395 4.045 20 30 EIEDRO CCc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000609466547 1049075189 /nfs/dbraw/zinc/07/51/89/1049075189.db2.gz JBAPKIOENVVEAC-LJQANCHMSA-N 1 0 337.442 4.018 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc1 ZINC000811520005 1049106827 /nfs/dbraw/zinc/10/68/27/1049106827.db2.gz IMCZXYYSOSZTHA-KRWDZBQOSA-N 1 0 332.447 4.036 20 30 EIEDRO CC(C)[N@H+](C)CC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000609560451 1049148239 /nfs/dbraw/zinc/14/82/39/1049148239.db2.gz YBCFRXPCXKRPDC-UHFFFAOYSA-N 1 0 339.405 4.134 20 30 EIEDRO COc1ccc(Cl)c2c1C[C@@H]([NH2+]CCCCCCS)CC2 ZINC001171306886 1049157257 /nfs/dbraw/zinc/15/72/57/1049157257.db2.gz PGQOLORWEGOJQY-ZDUSSCGKSA-N 1 0 327.921 4.286 20 30 EIEDRO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC000772983535 1049192740 /nfs/dbraw/zinc/19/27/40/1049192740.db2.gz KNSKAKSAURTYIT-CZUORRHYSA-N 1 0 327.428 4.077 20 30 EIEDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000609669994 1049253198 /nfs/dbraw/zinc/25/31/98/1049253198.db2.gz IATJCGASMWJRLC-CQSZACIVSA-N 1 0 340.393 4.039 20 30 EIEDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000819252557 1049281538 /nfs/dbraw/zinc/28/15/38/1049281538.db2.gz UEPIPLOWMKFMCN-FZKQIMNGSA-N 1 0 348.368 4.004 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000772988494 1049287179 /nfs/dbraw/zinc/28/71/79/1049287179.db2.gz QLBSVOZPXHWEAQ-UHFFFAOYSA-N 1 0 344.458 4.192 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1 ZINC000609736730 1049305019 /nfs/dbraw/zinc/30/50/19/1049305019.db2.gz NIHZUTWBUXFBDQ-UTKZUKDTSA-N 1 0 341.499 4.121 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C3CCCC3)C2)cc1Cl ZINC001171332443 1049321884 /nfs/dbraw/zinc/32/18/84/1049321884.db2.gz PYAOXZIFSUYLOL-MRXNPFEDSA-N 1 0 345.874 4.052 20 30 EIEDRO C=CCCCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000811926950 1049322507 /nfs/dbraw/zinc/32/25/07/1049322507.db2.gz FYOLNUBXESNHEJ-AZUAARDMSA-N 1 0 347.547 4.171 20 30 EIEDRO CC(C)([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1ccc(C#N)cc1 ZINC001170656593 1049348531 /nfs/dbraw/zinc/34/85/31/1049348531.db2.gz BJKIZFNDYXBOGE-QGZVFWFLSA-N 1 0 326.390 4.219 20 30 EIEDRO N#Cc1ccccc1-c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000609845613 1049354342 /nfs/dbraw/zinc/35/43/42/1049354342.db2.gz CIAQNMRKBNYHJC-QFIPXVFZSA-N 1 0 345.490 4.285 20 30 EIEDRO COCCCC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000064621022 1049373111 /nfs/dbraw/zinc/37/31/11/1049373111.db2.gz IJFUGWOTWDVHGR-UHFFFAOYSA-N 1 0 347.462 4.240 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812311422 1049423465 /nfs/dbraw/zinc/42/34/65/1049423465.db2.gz CADBNJLQKQMXQP-INIZCTEOSA-N 1 0 341.398 4.489 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2cccs2)C2CC2)cc1 ZINC000812358087 1049436856 /nfs/dbraw/zinc/43/68/56/1049436856.db2.gz HHTBMFZQUOKKNC-LJQANCHMSA-N 1 0 325.481 4.339 20 30 EIEDRO C=C[C@H](CC)CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000820170674 1049452720 /nfs/dbraw/zinc/45/27/20/1049452720.db2.gz QFDABGPECCZQTH-LJQANCHMSA-N 1 0 340.511 4.103 20 30 EIEDRO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359137 1049508599 /nfs/dbraw/zinc/50/85/99/1049508599.db2.gz AZKFKHQQDLIFCS-GOSISDBHSA-N 1 0 326.390 4.238 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CO)c2cccc(F)c2)cc1 ZINC000773013112 1049523490 /nfs/dbraw/zinc/52/34/90/1049523490.db2.gz WUSIORBPTWQSCE-IFXJQAMLSA-N 1 0 349.833 4.341 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000610132695 1049556109 /nfs/dbraw/zinc/55/61/09/1049556109.db2.gz ZQTYAUOJEABLCQ-QGZVFWFLSA-N 1 0 338.451 4.256 20 30 EIEDRO Cc1cc(CC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)ccc1Cl ZINC000812773032 1049572073 /nfs/dbraw/zinc/57/20/73/1049572073.db2.gz PBSJHLAGWWQTDB-HNNXBMFYSA-N 1 0 328.843 4.272 20 30 EIEDRO C[C@H](C[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000773086143 1049573534 /nfs/dbraw/zinc/57/35/34/1049573534.db2.gz ZJHZQYLVWSMXEJ-JFIYKMOQSA-N 1 0 345.487 4.313 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1CC)c1ccccc1 ZINC000773106675 1049586857 /nfs/dbraw/zinc/58/68/57/1049586857.db2.gz LLRUDKHSIAIMQD-PXNSSMCTSA-N 1 0 334.463 4.320 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000821017522 1049586792 /nfs/dbraw/zinc/58/67/92/1049586792.db2.gz JGQCLMDFCJODEG-DHZHZOJOSA-N 1 0 344.252 4.407 20 30 EIEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc(Cl)ccc1CC#N ZINC001170687367 1049588129 /nfs/dbraw/zinc/58/81/29/1049588129.db2.gz IFGLNUYJFQIEBP-ZDUSSCGKSA-N 1 0 336.826 4.278 20 30 EIEDRO C#C[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1CC)c1ccc(F)cc1 ZINC000812793465 1049588725 /nfs/dbraw/zinc/58/87/25/1049588725.db2.gz VLKQVUPQYVLJAQ-DNVCBOLYSA-N 1 0 338.426 4.069 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccccc1CC)c1ccc(F)cc1 ZINC000812793467 1049590622 /nfs/dbraw/zinc/59/06/22/1049590622.db2.gz VLKQVUPQYVLJAQ-KXBFYZLASA-N 1 0 338.426 4.069 20 30 EIEDRO C#C[C@H](N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793271 1049591592 /nfs/dbraw/zinc/59/15/92/1049591592.db2.gz RJMUFUKHLZRMLV-XJABCFGWSA-N 1 0 336.454 4.000 20 30 EIEDRO CC[N@H+](CC#Cc1ccccc1Cl)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847704 1049611514 /nfs/dbraw/zinc/61/15/14/1049611514.db2.gz FTGWHQDMVNFFFL-OXQOHEQNSA-N 1 0 327.855 4.136 20 30 EIEDRO CC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848013 1049611805 /nfs/dbraw/zinc/61/18/05/1049611805.db2.gz HPNZDDYZNKRZMV-LAUBAEHRSA-N 1 0 336.479 4.432 20 30 EIEDRO Cc1ccc(CSCC[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237571240 1049619003 /nfs/dbraw/zinc/61/90/03/1049619003.db2.gz RHNKNLDNSPNNKN-QGZVFWFLSA-N 1 0 340.492 4.309 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000237608471 1049658716 /nfs/dbraw/zinc/65/87/16/1049658716.db2.gz JIBKYYPMMYZWJN-ACJLOTCBSA-N 1 0 342.439 4.443 20 30 EIEDRO N#Cc1cccc(C2CC[NH+]([C@@H]3CCc4c(F)cccc4C3)CC2)c1 ZINC001171434930 1049676382 /nfs/dbraw/zinc/67/63/82/1049676382.db2.gz VIFIHFALLBCGRI-HXUWFJFHSA-N 1 0 334.438 4.434 20 30 EIEDRO C=CC[NH+](CC=C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171612506 1049764954 /nfs/dbraw/zinc/76/49/54/1049764954.db2.gz KAIUZKZHEDVATP-IRXDYDNUSA-N 1 0 336.520 4.475 20 30 EIEDRO C=CC[NH+](CC=C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171612504 1049765156 /nfs/dbraw/zinc/76/51/56/1049765156.db2.gz KAIUZKZHEDVATP-DLBZAZTESA-N 1 0 336.520 4.475 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000237843094 1049781696 /nfs/dbraw/zinc/78/16/96/1049781696.db2.gz JDRJQMQWVHTTMM-UHFFFAOYSA-N 1 0 346.377 4.260 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)cc1C#N ZINC000813790004 1049817681 /nfs/dbraw/zinc/81/76/81/1049817681.db2.gz FJVGMEZCJDKOKE-CQSZACIVSA-N 1 0 332.856 4.449 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(Cc2ccc(F)cc2)no1 ZINC001171920550 1049820328 /nfs/dbraw/zinc/82/03/28/1049820328.db2.gz IVOIVXYVYUQYGJ-NVXWUHKLSA-N 1 0 329.419 4.024 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001171920741 1049820659 /nfs/dbraw/zinc/82/06/59/1049820659.db2.gz MKOILVMKVKFQPH-KURKYZTESA-N 1 0 336.520 4.358 20 30 EIEDRO CCOC(=O)C1(C)CCC([NH2+][C@H](CC)c2cccc(C#N)c2)CC1 ZINC001171941063 1049831051 /nfs/dbraw/zinc/83/10/51/1049831051.db2.gz KHVMBSFJKJACFS-QPIRBTGLSA-N 1 0 328.456 4.111 20 30 EIEDRO CC1(C)C[C@H](NCc2csc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171977483 1049836942 /nfs/dbraw/zinc/83/69/42/1049836942.db2.gz BPYGJXRNLXTLAS-GOSISDBHSA-N 1 0 339.508 4.153 20 30 EIEDRO CC[C@@H]1[C@@H](C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+]1C ZINC001136711861 1049842698 /nfs/dbraw/zinc/84/26/98/1049842698.db2.gz JPCJROPUZYTBQR-VQTJNVASSA-N 1 0 349.434 4.019 20 30 EIEDRO CCCC[N@H+](CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172094062 1049848999 /nfs/dbraw/zinc/84/89/99/1049848999.db2.gz JDVYKWRJAYQHDE-PIIMJCKOSA-N 1 0 349.519 4.323 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000823617259 1049862914 /nfs/dbraw/zinc/86/29/14/1049862914.db2.gz HXBXGPFPPSKUBV-KZULUSFZSA-N 1 0 332.806 4.077 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000823616593 1049863113 /nfs/dbraw/zinc/86/31/13/1049863113.db2.gz ATKOQWMFXMLYRQ-SCLBCKFNSA-N 1 0 348.368 4.303 20 30 EIEDRO C=CC[NH+](CC=C)C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172213105 1049865405 /nfs/dbraw/zinc/86/54/05/1049865405.db2.gz VLGSGIATLWYPGG-UHFFFAOYSA-N 1 0 347.886 4.367 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Br)s1 ZINC001172302600 1049872977 /nfs/dbraw/zinc/87/29/77/1049872977.db2.gz MQSIVOGXMBCUCL-NSHDSACASA-N 1 0 335.270 4.103 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1 ZINC000180259563 1049873224 /nfs/dbraw/zinc/87/32/24/1049873224.db2.gz PRTUCPKIPCBXGQ-LJQANCHMSA-N 1 0 335.403 4.296 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC001172301518 1049873421 /nfs/dbraw/zinc/87/34/21/1049873421.db2.gz PSYPGGRWECMMSJ-VGOFRKELSA-N 1 0 334.463 4.247 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001172309544 1049874962 /nfs/dbraw/zinc/87/49/62/1049874962.db2.gz UWTOZBWDESTVNG-SFHVURJKSA-N 1 0 329.447 4.047 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001172309539 1049874975 /nfs/dbraw/zinc/87/49/75/1049874975.db2.gz UWTOZBWDESTVNG-GOSISDBHSA-N 1 0 329.447 4.047 20 30 EIEDRO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312807 1049875475 /nfs/dbraw/zinc/87/54/75/1049875475.db2.gz JQRKIXBGPIRFJC-UWJYYQICSA-N 1 0 334.463 4.473 20 30 EIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172312872 1049875826 /nfs/dbraw/zinc/87/58/26/1049875826.db2.gz KZJJNGAPSHZFAH-AVRDEDQJSA-N 1 0 348.490 4.453 20 30 EIEDRO COc1ccccc1C1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319498 1049877485 /nfs/dbraw/zinc/87/74/85/1049877485.db2.gz NOPKNCMAHGOPFW-QGZVFWFLSA-N 1 0 334.463 4.377 20 30 EIEDRO Cc1ccc([C@]2(C)C[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC001172319535 1049877605 /nfs/dbraw/zinc/87/76/05/1049877605.db2.gz OAZFDLSEGQFGKO-AVRDEDQJSA-N 1 0 334.463 4.045 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2CCCC23CCC3)ccc1OC ZINC000823848363 1049881253 /nfs/dbraw/zinc/88/12/53/1049881253.db2.gz UTTNWHOZNXCFQA-LPHOPBHVSA-N 1 0 328.456 4.189 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](CC)C2CCCC2)ccc1OC ZINC000823848063 1049881404 /nfs/dbraw/zinc/88/14/04/1049881404.db2.gz PQJXTRZNXZASKX-ROUUACIJSA-N 1 0 330.472 4.435 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccccc1C(F)(F)F ZINC001172296539 1049881591 /nfs/dbraw/zinc/88/15/91/1049881591.db2.gz HYIKTPNYEMAMSK-CQSZACIVSA-N 1 0 332.369 4.340 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001172295841 1049881806 /nfs/dbraw/zinc/88/18/06/1049881806.db2.gz UZQSEEIFPRXCIT-GOSISDBHSA-N 1 0 333.479 4.269 20 30 EIEDRO COc1cccc(CC2(C[NH2+][C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172299952 1049882821 /nfs/dbraw/zinc/88/28/21/1049882821.db2.gz PWASARGHGFVQOE-KRWDZBQOSA-N 1 0 334.463 4.110 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(Cc2ccccc2)CCOCC1 ZINC001172299689 1049882897 /nfs/dbraw/zinc/88/28/97/1049882897.db2.gz MYSOXXRTKFYQKM-IBGZPJMESA-N 1 0 348.490 4.118 20 30 EIEDRO COCCC1([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CCC(F)(F)CC1 ZINC001172299868 1049882953 /nfs/dbraw/zinc/88/29/53/1049882953.db2.gz OXVHSFMJANJGMN-HNNXBMFYSA-N 1 0 336.426 4.063 20 30 EIEDRO COc1ccc(CC(C)(C)C[NH2+][C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172298095 1049883004 /nfs/dbraw/zinc/88/30/04/1049883004.db2.gz CVXAVCPLLYYXIL-QGZVFWFLSA-N 1 0 336.479 4.356 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)[C@@H]2CC ZINC001172373465 1049883676 /nfs/dbraw/zinc/88/36/76/1049883676.db2.gz MPHWIZYYOOLQOZ-RFBJODPTSA-N 1 0 332.532 4.233 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)[C@H]2CC ZINC001172373469 1049884004 /nfs/dbraw/zinc/88/40/04/1049884004.db2.gz MPHWIZYYOOLQOZ-UNJWAJPSSA-N 1 0 332.532 4.233 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CCC(CSC)CC2)c1 ZINC000823887717 1049885815 /nfs/dbraw/zinc/88/58/15/1049885815.db2.gz OGBQVAZNTJZNSQ-VJFUWPCTSA-N 1 0 332.513 4.379 20 30 EIEDRO C#CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000823949189 1049886365 /nfs/dbraw/zinc/88/63/65/1049886365.db2.gz CGSNTXXJGCAMLK-RBUKOAKNSA-N 1 0 342.483 4.130 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC001172350410 1049891306 /nfs/dbraw/zinc/89/13/06/1049891306.db2.gz NBHTVTWNTKOUCW-LJQANCHMSA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCC[C@@H](CC)n1cc(C[C@H]([NH3+])C(N)=O)c2ccccc21 ZINC001172347544 1049891486 /nfs/dbraw/zinc/89/14/86/1049891486.db2.gz WVLHPLORRZNEBA-MJGOQNOKSA-N 1 0 343.515 4.308 20 30 EIEDRO CCCCCCC[C@H](CC)[N@@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001172356857 1049894603 /nfs/dbraw/zinc/89/46/03/1049894603.db2.gz YVGUEECZSWUJOV-INIZCTEOSA-N 1 0 349.519 4.310 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(c2cc(C)ncn2)CC1 ZINC001172359352 1049895326 /nfs/dbraw/zinc/89/53/26/1049895326.db2.gz WBKUTZPEWHOMQZ-GOSISDBHSA-N 1 0 332.536 4.483 20 30 EIEDRO CC(C)C1=[NH+]CCc2ccc(NC(=N)c3ccc4ccccc4n3)cc21 ZINC001171048871 1049903801 /nfs/dbraw/zinc/90/38/01/1049903801.db2.gz XVMVRJHJEPENMC-UHFFFAOYSA-N 1 0 342.446 4.273 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001172476113 1049908466 /nfs/dbraw/zinc/90/84/66/1049908466.db2.gz HFRJUUPQKLSHNT-APWZRJJASA-N 1 0 337.508 4.086 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)Cc2ccsc21 ZINC001172478868 1049909894 /nfs/dbraw/zinc/90/98/94/1049909894.db2.gz FFHPMFJXUQAPFV-ZFWWWQNUSA-N 1 0 349.500 4.212 20 30 EIEDRO COc1ccc(C([NH2+][C@H](C)CCCC#N)c2ccc(OC)cc2)cc1 ZINC001172476885 1049910284 /nfs/dbraw/zinc/91/02/84/1049910284.db2.gz SEOCYWNVKPDSIO-MRXNPFEDSA-N 1 0 338.451 4.465 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H](c1ccc(Cl)cc1Cl)N(C)C ZINC001172485549 1049911373 /nfs/dbraw/zinc/91/13/73/1049911373.db2.gz RCTAIGWJLLYMMK-LRDDRELGSA-N 1 0 328.287 4.268 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C[C@H](c1ccc(Cl)cc1Cl)N(C)C ZINC001172485552 1049911478 /nfs/dbraw/zinc/91/14/78/1049911478.db2.gz RCTAIGWJLLYMMK-MLGOLLRUSA-N 1 0 328.287 4.268 20 30 EIEDRO C[C@@H](CCCC#N)n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001172488557 1049920641 /nfs/dbraw/zinc/92/06/41/1049920641.db2.gz LSGCMLAHKFGACS-LBPRGKRZSA-N 1 0 339.361 4.296 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001172487965 1049920708 /nfs/dbraw/zinc/92/07/08/1049920708.db2.gz OVOCEYMCKLPIRW-AWEZNQCLSA-N 1 0 340.389 4.383 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001172489470 1049921029 /nfs/dbraw/zinc/92/10/29/1049921029.db2.gz SRBGSCFVQIOZOM-CQSZACIVSA-N 1 0 337.870 4.115 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001172496871 1049921411 /nfs/dbraw/zinc/92/14/11/1049921411.db2.gz SIOUJPCUFDJSGO-KRWDZBQOSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@]2(CCCN2C(=O)OC(C)(C)C)CC1 ZINC001172495740 1049921982 /nfs/dbraw/zinc/92/19/82/1049921982.db2.gz HHQXDRGDPNKADN-FXAWDEMLSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccc(N(C)C(=O)OC(C)(C)C)c1 ZINC001172492880 1049922314 /nfs/dbraw/zinc/92/23/14/1049922314.db2.gz VFQXELUZZITLRI-HNNXBMFYSA-N 1 0 331.460 4.230 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC001172501127 1049922877 /nfs/dbraw/zinc/92/28/77/1049922877.db2.gz AEAYZSMSGFGAIX-ZWKOTPCHSA-N 1 0 327.509 4.073 20 30 EIEDRO CC(C)C[C@H]1C[N@@H+]([C@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172501903 1049923419 /nfs/dbraw/zinc/92/34/19/1049923419.db2.gz SDZHIOKMYZOHQX-SJORKVTESA-N 1 0 337.508 4.036 20 30 EIEDRO C[C@@H](CCCC#N)[N@H+](C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172504651 1049924651 /nfs/dbraw/zinc/92/46/51/1049924651.db2.gz HOGPHICPJVKGGN-WMZOPIPTSA-N 1 0 349.519 4.323 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001172503927 1049924679 /nfs/dbraw/zinc/92/46/79/1049924679.db2.gz CTFYYBHHRAZMNS-AWEZNQCLSA-N 1 0 340.298 4.193 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH+]1CC([C@@H](N)C(=O)OC(C)(C)C)C1 ZINC001172504854 1049924688 /nfs/dbraw/zinc/92/46/88/1049924688.db2.gz HLMHUWLVUJJFKI-ZWKOTPCHSA-N 1 0 340.552 4.116 20 30 EIEDRO CCCCCCC[C@@H](CCC)[N@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001172511458 1049926794 /nfs/dbraw/zinc/92/67/94/1049926794.db2.gz REIKKJGKBAPAJW-RBUKOAKNSA-N 1 0 335.536 4.491 20 30 EIEDRO N#Cc1ccc(Cl)nc1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001204095153 1049954227 /nfs/dbraw/zinc/95/42/27/1049954227.db2.gz UGTONHDDRBKLMG-UHFFFAOYSA-N 1 0 326.831 4.336 20 30 EIEDRO CC1(C)CC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC(C)(C)O1 ZINC001172654520 1049957337 /nfs/dbraw/zinc/95/73/37/1049957337.db2.gz FLTGESIYLMRSDF-UHFFFAOYSA-N 1 0 340.389 4.403 20 30 EIEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](C1CCC3(CCCC3)CC1)CC2 ZINC001172726411 1049967290 /nfs/dbraw/zinc/96/72/90/1049967290.db2.gz HZIIGKSCZWRXNR-UHFFFAOYSA-N 1 0 346.515 4.210 20 30 EIEDRO [NH2+]=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc2cc(O)ccc2c1 ZINC001172713924 1049972246 /nfs/dbraw/zinc/97/22/46/1049972246.db2.gz SDXYZYFKYJHCON-SFHVURJKSA-N 1 0 336.822 4.072 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000181009130 1049978080 /nfs/dbraw/zinc/97/80/80/1049978080.db2.gz WSUNKVAEIBOOST-UHFFFAOYSA-N 1 0 329.271 4.430 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1Br ZINC000248792927 1050078740 /nfs/dbraw/zinc/07/87/40/1050078740.db2.gz IXYWLBPPCKCVFV-OUCADQQQSA-N 1 0 337.261 4.191 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000181429532 1050122404 /nfs/dbraw/zinc/12/24/04/1050122404.db2.gz ZPIDFQYIKJLAAW-HSZRJFAPSA-N 1 0 345.490 4.264 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNCc1nc(C(C)(C)C)cs1)C(C)C ZINC001177222698 1050168121 /nfs/dbraw/zinc/16/81/21/1050168121.db2.gz MJZSOBZTDBPPFJ-MRXNPFEDSA-N 1 0 335.561 4.229 20 30 EIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000774938218 1050168538 /nfs/dbraw/zinc/16/85/38/1050168538.db2.gz CFAZLEIESBJETR-AWEZNQCLSA-N 1 0 346.377 4.279 20 30 EIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CCCOc1cccc(C#N)c1 ZINC001172858691 1050196506 /nfs/dbraw/zinc/19/65/06/1050196506.db2.gz FLSXEXQJNRJCGM-AWEZNQCLSA-N 1 0 346.833 4.340 20 30 EIEDRO CCC[C@@H]1CN(c2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001185930986 1050196643 /nfs/dbraw/zinc/19/66/43/1050196643.db2.gz PWAIETSBHZGTOL-GOSISDBHSA-N 1 0 337.442 4.188 20 30 EIEDRO CCC[C@H]1CN(c2cc(F)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001185931296 1050196874 /nfs/dbraw/zinc/19/68/74/1050196874.db2.gz TWGJKBLSBJXXEP-FQEVSTJZSA-N 1 0 337.442 4.188 20 30 EIEDRO Cc1ccccc1C1(C[NH2+][C@H](C)c2cccc(C#N)c2)CCOCC1 ZINC000181569749 1050205237 /nfs/dbraw/zinc/20/52/37/1050205237.db2.gz ZERSPVSJZQNDPX-GOSISDBHSA-N 1 0 334.463 4.266 20 30 EIEDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001177524863 1050238404 /nfs/dbraw/zinc/23/84/04/1050238404.db2.gz JSJUQOYBIGBIOF-MRXNPFEDSA-N 1 0 330.435 4.212 20 30 EIEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181599600 1050238562 /nfs/dbraw/zinc/23/85/62/1050238562.db2.gz GMTVLSOIRPDGHH-QGZVFWFLSA-N 1 0 344.462 4.336 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)c1ccccc1 ZINC001172966664 1050247863 /nfs/dbraw/zinc/24/78/63/1050247863.db2.gz PHWFGYYTXSGXIE-FGTMMUONSA-N 1 0 343.471 4.019 20 30 EIEDRO C[C@H](CC1CCCCC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981231 1050252550 /nfs/dbraw/zinc/25/25/50/1050252550.db2.gz KTFIQLXYTOJXMV-NJAFHUGGSA-N 1 0 349.519 4.227 20 30 EIEDRO [NH2+]=C(NC1CCC2(CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001173039593 1050269154 /nfs/dbraw/zinc/26/91/54/1050269154.db2.gz NWWCLHVPNQFESS-UHFFFAOYSA-N 1 0 340.389 4.150 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC001173090317 1050283070 /nfs/dbraw/zinc/28/30/70/1050283070.db2.gz KGMPXNCDODBBCB-NSHDSACASA-N 1 0 340.370 4.239 20 30 EIEDRO CCCOC1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001173096937 1050287066 /nfs/dbraw/zinc/28/70/66/1050287066.db2.gz WEKORBHGPIHLPT-UHFFFAOYSA-N 1 0 340.389 4.404 20 30 EIEDRO CCCOC1CCC([N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001173100642 1050301591 /nfs/dbraw/zinc/30/15/91/1050301591.db2.gz QPWQDAORTDGQDB-GZNCHQMQSA-N 1 0 342.483 4.139 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)ccc1C#N ZINC000618195864 1050305381 /nfs/dbraw/zinc/30/53/81/1050305381.db2.gz LPDPUAHQUIUBCJ-UHFFFAOYSA-N 1 0 336.435 4.112 20 30 EIEDRO Cc1cc(F)c(C#N)c(N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC001186380792 1050315749 /nfs/dbraw/zinc/31/57/49/1050315749.db2.gz NAWJUDBHKZIAHY-FOIQADDNSA-N 1 0 325.431 4.418 20 30 EIEDRO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H]1CCOC1 ZINC000618275869 1050326109 /nfs/dbraw/zinc/32/61/09/1050326109.db2.gz DIMURUFUKTWCAO-HXUWFJFHSA-N 1 0 348.490 4.245 20 30 EIEDRO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000618284594 1050327645 /nfs/dbraw/zinc/32/76/45/1050327645.db2.gz YXMUCJRGJUHDNV-IBGZPJMESA-N 1 0 327.516 4.303 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000618282018 1050328009 /nfs/dbraw/zinc/32/80/09/1050328009.db2.gz XGRFLEGXUUEDHH-KRWDZBQOSA-N 1 0 342.405 4.223 20 30 EIEDRO CCO[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000618281992 1050328721 /nfs/dbraw/zinc/32/87/21/1050328721.db2.gz BYRKLVCPZDJMFS-QFIPXVFZSA-N 1 0 348.490 4.387 20 30 EIEDRO Cc1cc(Br)sc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001236840972 1050331042 /nfs/dbraw/zinc/33/10/42/1050331042.db2.gz UWRWOOKUTMIVIH-UHFFFAOYSA-N 1 0 335.270 4.323 20 30 EIEDRO CC[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181796108 1050336379 /nfs/dbraw/zinc/33/63/79/1050336379.db2.gz YSWVORDQJXYQLR-UTKZUKDTSA-N 1 0 325.500 4.081 20 30 EIEDRO CC[C@H](C[NH2+]Cc1c(C)cc(C#N)cc1C)Oc1cccc(F)c1 ZINC001177942988 1050341383 /nfs/dbraw/zinc/34/13/83/1050341383.db2.gz LVBNTGGRBDLGFU-GOSISDBHSA-N 1 0 326.415 4.261 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccc(OCC#N)cc1 ZINC000181837648 1050348696 /nfs/dbraw/zinc/34/86/96/1050348696.db2.gz KGLFYJNEBFMNRC-IRXDYDNUSA-N 1 0 346.434 4.186 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1cccc(C#N)c1 ZINC000181954508 1050394477 /nfs/dbraw/zinc/39/44/77/1050394477.db2.gz GPIVHSMFZYNCPS-MRXNPFEDSA-N 1 0 331.419 4.226 20 30 EIEDRO CCCCCCCC[C@H](CCC)[NH2+]C1CCN(C(=O)NC)CC1 ZINC001173310461 1050404440 /nfs/dbraw/zinc/40/44/40/1050404440.db2.gz VVPYTVVIUMUYIK-KRWDZBQOSA-N 1 0 325.541 4.299 20 30 EIEDRO CCSC[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001173313236 1050405845 /nfs/dbraw/zinc/40/58/45/1050405845.db2.gz ZXOPAJWTKXXJRX-CYBMUJFWSA-N 1 0 338.904 4.196 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)c1cccc(C#N)c1 ZINC000181990014 1050413999 /nfs/dbraw/zinc/41/39/99/1050413999.db2.gz SAOMDYOYBUQOQV-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](Cc3ccc(OC)cc3)C2)CC1 ZINC001173323141 1050416009 /nfs/dbraw/zinc/41/60/09/1050416009.db2.gz QLWJWZZDQRMXJH-YMISUZCDSA-N 1 0 343.511 4.464 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccc(C#N)cc1 ZINC000618568130 1050416680 /nfs/dbraw/zinc/41/66/80/1050416680.db2.gz SFSPEFAKJJNYQN-PKOBYXMFSA-N 1 0 341.405 4.156 20 30 EIEDRO CC(C)(C)C(=O)Oc1ccc(CC[NH2+]C2CCC(CC#N)CC2)cc1 ZINC001173324265 1050418432 /nfs/dbraw/zinc/41/84/32/1050418432.db2.gz KYOLIUQBBHXARS-UHFFFAOYSA-N 1 0 342.483 4.243 20 30 EIEDRO C=CCOC1CCC([N@@H+](Cc2cccc(OC)c2)[C@H](C)COC)CC1 ZINC001173323560 1050418690 /nfs/dbraw/zinc/41/86/90/1050418690.db2.gz DGTLSYAVBMTORI-QHGAOEGBSA-N 1 0 347.499 4.046 20 30 EIEDRO N#CCC1CCC([NH2+][C@H](c2ccccc2)[C@H](N)c2ccccc2)CC1 ZINC001173325789 1050418763 /nfs/dbraw/zinc/41/87/63/1050418763.db2.gz NQFBRNJPUBFAFE-MNAWUITFSA-N 1 0 333.479 4.490 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCSC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001173328062 1050420033 /nfs/dbraw/zinc/42/00/33/1050420033.db2.gz YZLWPZQYEDEPOI-LYBXBRPPSA-N 1 0 347.524 4.299 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001173327552 1050420799 /nfs/dbraw/zinc/42/07/99/1050420799.db2.gz OHABULPHGDFLDK-FAFZWHIHSA-N 1 0 332.513 4.152 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCSC[C@H]2c2ccc(OC)cc2)CC1 ZINC001173328063 1050420860 /nfs/dbraw/zinc/42/08/60/1050420860.db2.gz YZLWPZQYEDEPOI-UUKMXZOPSA-N 1 0 347.524 4.299 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC001173333718 1050423279 /nfs/dbraw/zinc/42/32/79/1050423279.db2.gz PVZFWZPVRCBFSB-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO N#CCC1CCC([NH+]2CCN(c3cccc4sccc43)CC2)CC1 ZINC001173337022 1050424343 /nfs/dbraw/zinc/42/43/43/1050424343.db2.gz WBDNFIVMXNALRG-UHFFFAOYSA-N 1 0 339.508 4.496 20 30 EIEDRO COc1ccccc1CC1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173335228 1050424792 /nfs/dbraw/zinc/42/47/92/1050424792.db2.gz DGCXKGFQBNBWAX-UHFFFAOYSA-N 1 0 326.484 4.422 20 30 EIEDRO N#CCC1CCC([N@@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001173336808 1050425727 /nfs/dbraw/zinc/42/57/27/1050425727.db2.gz MQOXVNBDPZVZNL-UHFFFAOYSA-N 1 0 336.414 4.071 20 30 EIEDRO CN1CCC([N@H+](Cc2ccc(F)cc2)C2CCC(CC#N)CC2)CC1 ZINC001173339402 1050427804 /nfs/dbraw/zinc/42/78/04/1050427804.db2.gz GNEHNXKNKBAQCQ-UHFFFAOYSA-N 1 0 343.490 4.194 20 30 EIEDRO COC(=O)c1ccc(C2CC[NH+](C3CCC(CC#N)CC3)CC2)cc1 ZINC001173338722 1050428380 /nfs/dbraw/zinc/42/83/80/1050428380.db2.gz ICTOJXAWDJDJBG-UHFFFAOYSA-N 1 0 340.467 4.125 20 30 EIEDRO N#CCC1CCC([NH+]2CCC(COc3ccc(F)cc3)CC2)CC1 ZINC001173337620 1050428557 /nfs/dbraw/zinc/42/85/57/1050428557.db2.gz QVHHEZXKDUZUEZ-UHFFFAOYSA-N 1 0 330.447 4.389 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC001173315715 1050439440 /nfs/dbraw/zinc/43/94/40/1050439440.db2.gz QKMUIQQSMXQLLN-UHFFFAOYSA-N 1 0 342.252 4.192 20 30 EIEDRO C=CCOC1CCC([NH2+]C2Cc3cc(CC)c(CC)cc3C2)CC1 ZINC001173318943 1050441608 /nfs/dbraw/zinc/44/16/08/1050441608.db2.gz RBNWEQXPZGDSMR-UHFFFAOYSA-N 1 0 327.512 4.382 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(c3ccc(OC)cc3)CC2)CC1 ZINC001173320076 1050441722 /nfs/dbraw/zinc/44/17/22/1050441722.db2.gz GZERTYXBQRMIIR-UHFFFAOYSA-N 1 0 329.484 4.388 20 30 EIEDRO CC[N@@H+]1CC[C@H](N(Cc2ccc(C#N)cc2)[C@H](C)c2ccccc2)C1 ZINC001173368411 1050444232 /nfs/dbraw/zinc/44/42/32/1050444232.db2.gz PKPQURJAUGAHFD-GCJKJVERSA-N 1 0 333.479 4.216 20 30 EIEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2F)CC1)c1ccc(OCC#N)cc1 ZINC000182089202 1050470795 /nfs/dbraw/zinc/47/07/95/1050470795.db2.gz HGMHETUHUWMPTF-CQSZACIVSA-N 1 0 342.389 4.250 20 30 EIEDRO Cc1n[nH]c(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C ZINC001178462323 1050474808 /nfs/dbraw/zinc/47/48/08/1050474808.db2.gz BJBBMZJCMHEBQO-MRXNPFEDSA-N 1 0 330.435 4.416 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(C)c1)c1ccc(F)c(F)c1 ZINC001178523980 1050491698 /nfs/dbraw/zinc/49/16/98/1050491698.db2.gz DNLKNIMMTVGIEZ-LJQANCHMSA-N 1 0 345.389 4.467 20 30 EIEDRO CC(C)(C)C(=O)Oc1ccc(CC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC001173587107 1050492228 /nfs/dbraw/zinc/49/22/28/1050492228.db2.gz LWWKNUYTBZVKPM-UHFFFAOYSA-N 1 0 342.483 4.243 20 30 EIEDRO COc1ccc(C[C@H]2CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)cc1 ZINC001173598969 1050499057 /nfs/dbraw/zinc/49/90/57/1050499057.db2.gz XFSRCHTYVPNMDL-LWEYNCJUSA-N 1 0 326.484 4.422 20 30 EIEDRO C[N@H+](C1CCC(C)(C#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001173597076 1050499286 /nfs/dbraw/zinc/49/92/86/1050499286.db2.gz KQHUSXCPUGVSFC-KBWCOIMZSA-N 1 0 325.500 4.055 20 30 EIEDRO C[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001173599787 1050500080 /nfs/dbraw/zinc/50/00/80/1050500080.db2.gz QXYVEGMSKHSNKR-CTHNVIJVSA-N 1 0 326.484 4.464 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(F)c(Br)c1 ZINC000618741108 1050500440 /nfs/dbraw/zinc/50/04/40/1050500440.db2.gz CKAXLGYWXMRAQW-QGZVFWFLSA-N 1 0 345.215 4.237 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000618741211 1050501381 /nfs/dbraw/zinc/50/13/81/1050501381.db2.gz BVFJZXBHOWOSHG-FQEVSTJZSA-N 1 0 348.446 4.299 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000618741041 1050501528 /nfs/dbraw/zinc/50/15/28/1050501528.db2.gz BWIYOKSLVTTYRR-QGZVFWFLSA-N 1 0 334.316 4.493 20 30 EIEDRO CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173600882 1050502584 /nfs/dbraw/zinc/50/25/84/1050502584.db2.gz LSHAKCBJPPZKQK-ZRZPHAQCSA-N 1 0 349.519 4.038 20 30 EIEDRO CCC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173600652 1050502813 /nfs/dbraw/zinc/50/28/13/1050502813.db2.gz HSOYVMQWABTOIZ-GNZRSQJKSA-N 1 0 349.519 4.180 20 30 EIEDRO CN(Cc1ccccc1F)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173600622 1050503035 /nfs/dbraw/zinc/50/30/35/1050503035.db2.gz GVVAYMINXGZVQR-UHFFFAOYSA-N 1 0 343.490 4.194 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000618743064 1050503514 /nfs/dbraw/zinc/50/35/14/1050503514.db2.gz VNZCVXWQYDNHJP-GOSISDBHSA-N 1 0 346.352 4.276 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000618802752 1050520343 /nfs/dbraw/zinc/52/03/43/1050520343.db2.gz FPWCDPSCXDGGLT-AUUYWEPGSA-N 1 0 334.419 4.058 20 30 EIEDRO CCOC(=O)C[C@H]1CC[C@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001173646279 1050532663 /nfs/dbraw/zinc/53/26/63/1050532663.db2.gz YVKOUFBRBOBWOU-HKUYNNGSSA-N 1 0 334.504 4.437 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618805308 1050533183 /nfs/dbraw/zinc/53/31/83/1050533183.db2.gz GAIPHZGJGTXYMP-WOJBJXKFSA-N 1 0 333.391 4.121 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CCN1Cc1ccccc1 ZINC000618805554 1050534410 /nfs/dbraw/zinc/53/44/10/1050534410.db2.gz HMUKLJUUKORBQZ-ODOSVJCGSA-N 1 0 345.490 4.188 20 30 EIEDRO COC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000618807018 1050536105 /nfs/dbraw/zinc/53/61/05/1050536105.db2.gz UYBWKADTMKIVBT-MOPGFXCFSA-N 1 0 326.827 4.176 20 30 EIEDRO Cc1ccc(C2(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)c(C)c1 ZINC001178805070 1050557007 /nfs/dbraw/zinc/55/70/07/1050557007.db2.gz IAEUYWSDRGFJCM-UHFFFAOYSA-N 1 0 347.506 4.475 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH2+]CC#Cc3ccccc3)CC2)cc1 ZINC001173784094 1050568192 /nfs/dbraw/zinc/56/81/92/1050568192.db2.gz BYZAPBRPYRBIIZ-UHFFFAOYSA-N 1 0 347.458 4.279 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001178972258 1050601951 /nfs/dbraw/zinc/60/19/51/1050601951.db2.gz RBKDKUQHOWEVQY-SFHVURJKSA-N 1 0 338.495 4.347 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000618991242 1050613549 /nfs/dbraw/zinc/61/35/49/1050613549.db2.gz FJNVJJCSVQDCRO-AUSIDOKSSA-N 1 0 345.490 4.442 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000618991243 1050614468 /nfs/dbraw/zinc/61/44/68/1050614468.db2.gz FJNVJJCSVQDCRO-CVDCTZTESA-N 1 0 345.490 4.442 20 30 EIEDRO CC(C)c1ccccc1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001179054254 1050617299 /nfs/dbraw/zinc/61/72/99/1050617299.db2.gz SSGVKMAUYAOJDW-UHFFFAOYSA-N 1 0 347.506 4.436 20 30 EIEDRO COc1cccc2c1CCC[C@H]([NH2+]C1(c3ccc(C#N)cc3)CCC1)C2 ZINC001179034513 1050622719 /nfs/dbraw/zinc/62/27/19/1050622719.db2.gz JJQSRVIFSLQTHP-FQEVSTJZSA-N 1 0 346.474 4.483 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC001179095916 1050631522 /nfs/dbraw/zinc/63/15/22/1050631522.db2.gz QDOWQEPBSXNSQA-JKSUJKDBSA-N 1 0 330.230 4.146 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1c(Br)cccc1C#N ZINC001173931287 1050652088 /nfs/dbraw/zinc/65/20/88/1050652088.db2.gz CVIVQVXPLYCKQE-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1cccc(C#N)c1Br ZINC001173930990 1050652427 /nfs/dbraw/zinc/65/24/27/1050652427.db2.gz TXRCMCFDJKEVNS-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000093704318 1050663248 /nfs/dbraw/zinc/66/32/48/1050663248.db2.gz TYMGACWVFKQWIY-NRFANRHFSA-N 1 0 349.478 4.446 20 30 EIEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC001179290949 1050664563 /nfs/dbraw/zinc/66/45/63/1050664563.db2.gz GHOCWAWKBIZTQJ-OAHLLOKOSA-N 1 0 337.341 4.093 20 30 EIEDRO CC(C)(F)C[NH2+]Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC001179316476 1050672917 /nfs/dbraw/zinc/67/29/17/1050672917.db2.gz WYYZTLJUHFVXCC-LLVKDONJSA-N 1 0 347.274 4.396 20 30 EIEDRO CC(C)(CCC#N)CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760408 1050682086 /nfs/dbraw/zinc/68/20/86/1050682086.db2.gz ANVJGPNKRQBWPM-MRXNPFEDSA-N 1 0 340.389 4.409 20 30 EIEDRO C[C@H](CC#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC001179479972 1050702419 /nfs/dbraw/zinc/70/24/19/1050702419.db2.gz YXXJHDIJDOAIQO-NJAFHUGGSA-N 1 0 343.471 4.019 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)C1 ZINC001179525593 1050707178 /nfs/dbraw/zinc/70/71/78/1050707178.db2.gz RDMPBULIUOPAAH-TZIWHRDSSA-N 1 0 335.495 4.423 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1cccc(F)c1C#N)c1cccc(OC)c1 ZINC000619512722 1050793432 /nfs/dbraw/zinc/79/34/32/1050793432.db2.gz QGIQQBFZAMWYMI-FQEVSTJZSA-N 1 0 341.430 4.201 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000619508147 1050795976 /nfs/dbraw/zinc/79/59/76/1050795976.db2.gz NCSPFLMZQXHTDD-FOIQADDNSA-N 1 0 348.446 4.448 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508590 1050796655 /nfs/dbraw/zinc/79/66/55/1050796655.db2.gz NNJVQEUMWWAHKO-LJQANCHMSA-N 1 0 342.483 4.427 20 30 EIEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508367 1050798032 /nfs/dbraw/zinc/79/80/32/1050798032.db2.gz JLCTYKBSJDFKCO-HVETUWLQSA-N 1 0 334.463 4.080 20 30 EIEDRO N#Cc1csc(C[NH2+]C[C@H](Cc2ccccc2)c2ccccn2)c1 ZINC001179821835 1050798635 /nfs/dbraw/zinc/79/86/35/1050798635.db2.gz HOGQWGAMRNYBLL-SFHVURJKSA-N 1 0 333.460 4.131 20 30 EIEDRO N#Cc1ccc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000619511207 1050799065 /nfs/dbraw/zinc/79/90/65/1050799065.db2.gz ZUTKHQUTMVUSMB-LJQANCHMSA-N 1 0 325.843 4.461 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CC2(c3cccc(F)c3)CC2)c1 ZINC000152681625 1050827777 /nfs/dbraw/zinc/82/77/77/1050827777.db2.gz QHFSTWUXXZPTJS-UHFFFAOYSA-N 1 0 338.426 4.330 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)C1 ZINC000619672584 1050848802 /nfs/dbraw/zinc/84/88/02/1050848802.db2.gz ALVTVZQVFGCBGL-XFQXTVEOSA-N 1 0 348.425 4.199 20 30 EIEDRO COCCC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000619672634 1050850776 /nfs/dbraw/zinc/85/07/76/1050850776.db2.gz JEGCPKARZZQAQX-IBGZPJMESA-N 1 0 330.378 4.094 20 30 EIEDRO CCC(CC)[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000775209442 1050867698 /nfs/dbraw/zinc/86/76/98/1050867698.db2.gz BIAOBFPKYOAYQX-HKUYNNGSSA-N 1 0 328.481 4.420 20 30 EIEDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754532 1050882691 /nfs/dbraw/zinc/88/26/91/1050882691.db2.gz CMBCCVNKDFVRRU-GOSISDBHSA-N 1 0 346.833 4.088 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1N(C)C ZINC000619755592 1050883609 /nfs/dbraw/zinc/88/36/09/1050883609.db2.gz MPFOIKLUAZNZCC-LBPRGKRZSA-N 1 0 331.822 4.268 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(-n2ccnc2)cc1 ZINC000619754578 1050883780 /nfs/dbraw/zinc/88/37/80/1050883780.db2.gz DSKRKHOJJHIWIK-CQSZACIVSA-N 1 0 336.826 4.248 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OCC(F)F)cc2)cc1Cl ZINC000619748609 1050893767 /nfs/dbraw/zinc/89/37/67/1050893767.db2.gz OSBQFPSCRMLVIA-UHFFFAOYSA-N 1 0 336.769 4.145 20 30 EIEDRO CCCC(C)(C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1cccs1 ZINC000619815710 1050919129 /nfs/dbraw/zinc/91/91/29/1050919129.db2.gz NVWJWAZTFKFSDN-LJQANCHMSA-N 1 0 349.544 4.183 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccc(OC(F)F)cc2)CC1 ZINC000153029861 1050938028 /nfs/dbraw/zinc/93/80/28/1050938028.db2.gz PRIPSDGWWDSALE-SFHVURJKSA-N 1 0 338.442 4.369 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000153050091 1050942232 /nfs/dbraw/zinc/94/22/32/1050942232.db2.gz BCOQWCGSKUPPSJ-AWEZNQCLSA-N 1 0 342.405 4.276 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NCCCC[NH+]2CCCC2)c1 ZINC001189274477 1050955997 /nfs/dbraw/zinc/95/59/97/1050955997.db2.gz CHDNZUQYNSPTFC-UHFFFAOYSA-N 1 0 343.515 4.130 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001189276635 1050956683 /nfs/dbraw/zinc/95/66/83/1050956683.db2.gz VPRDOXLTRMIMQF-OALUTQOASA-N 1 0 343.515 4.127 20 30 EIEDRO C=CC[N@@H+](Cc1[nH]cc(C(=O)OC)c1C1CC1)CC1CCCCC1 ZINC001180291482 1050959183 /nfs/dbraw/zinc/95/91/83/1050959183.db2.gz BXDRROVFLCAUMB-UHFFFAOYSA-N 1 0 330.472 4.247 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620193526 1051058102 /nfs/dbraw/zinc/05/81/02/1051058102.db2.gz IXKXDGTWWIVYQY-QUCCMNQESA-N 1 0 340.511 4.007 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(OCC)cc1O)c1ccc(F)c(F)c1 ZINC000775318365 1051059329 /nfs/dbraw/zinc/05/93/29/1051059329.db2.gz GGDZNHPFUCWEFF-IBGZPJMESA-N 1 0 333.378 4.476 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cccc(Br)c1OC)c1ccccc1 ZINC000775312821 1051062396 /nfs/dbraw/zinc/06/23/96/1051062396.db2.gz AJJRTNASDINZQQ-QGZVFWFLSA-N 1 0 344.252 4.312 20 30 EIEDRO CCC[NH+]1CCC(NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000183428474 1051120972 /nfs/dbraw/zinc/12/09/72/1051120972.db2.gz YBGRGBPNTGGYGB-UHFFFAOYSA-N 1 0 333.479 4.189 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC001174653242 1051126876 /nfs/dbraw/zinc/12/68/76/1051126876.db2.gz RKKLJMBYTMKWIY-XHBKTUGNSA-N 1 0 346.352 4.143 20 30 EIEDRO C#CCCCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780728182 1051141882 /nfs/dbraw/zinc/14/18/82/1051141882.db2.gz ITPKAVHIZYTQGI-MSOLQXFVSA-N 1 0 328.456 4.090 20 30 EIEDRO CCC[N@H+](CCCN(CC)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC001190347266 1051160302 /nfs/dbraw/zinc/16/03/02/1051160302.db2.gz AGKWEGDOBNBFFN-UHFFFAOYSA-N 1 0 341.421 4.045 20 30 EIEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001190391065 1051164994 /nfs/dbraw/zinc/16/49/94/1051164994.db2.gz FROWVKCTIQVEDF-GOSISDBHSA-N 1 0 326.827 4.428 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ncccc2CC)cc(OC)c1OC ZINC000780727536 1051179211 /nfs/dbraw/zinc/17/92/11/1051179211.db2.gz RQSAHCPXVWTYQX-HNNXBMFYSA-N 1 0 340.467 4.241 20 30 EIEDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C12CCC2 ZINC001181163609 1051182258 /nfs/dbraw/zinc/18/22/58/1051182258.db2.gz SCZVOWPSQVRCOQ-IAGOWNOFSA-N 1 0 332.875 4.428 20 30 EIEDRO CCOc1ccc2c(c1)CN(CC#Cc1cccc(Cl)c1)CC2 ZINC001190570579 1051218131 /nfs/dbraw/zinc/21/81/31/1051218131.db2.gz FVJZZFGILNOIRT-UHFFFAOYSA-N 1 0 325.839 4.149 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1 ZINC000775399374 1051223290 /nfs/dbraw/zinc/22/32/90/1051223290.db2.gz FZSMARDBRXLOOC-GOSISDBHSA-N 1 0 327.811 4.102 20 30 EIEDRO C#CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775400035 1051230137 /nfs/dbraw/zinc/23/01/37/1051230137.db2.gz HFKFNBBDGGWBKU-QZTJIDSGSA-N 1 0 333.353 4.093 20 30 EIEDRO C#CC[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775401426 1051237490 /nfs/dbraw/zinc/23/74/90/1051237490.db2.gz UFJZJCSXIAXXQQ-MSOLQXFVSA-N 1 0 333.353 4.093 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CC2CCCCC2)c([N+](=O)[O-])c1 ZINC001190644220 1051242624 /nfs/dbraw/zinc/24/26/24/1051242624.db2.gz UUXQCFNRCJELSS-SFHVURJKSA-N 1 0 327.428 4.401 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)c([N+](=O)[O-])c1 ZINC001190644219 1051243084 /nfs/dbraw/zinc/24/30/84/1051243084.db2.gz UUXQCFNRCJELSS-GOSISDBHSA-N 1 0 327.428 4.401 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC001174925675 1051253259 /nfs/dbraw/zinc/25/32/59/1051253259.db2.gz XBVILGLHZYILSY-MOPGFXCFSA-N 1 0 346.833 4.199 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000773429487 1051254706 /nfs/dbraw/zinc/25/47/06/1051254706.db2.gz ULZWOOXCYFFHJN-UHFFFAOYSA-N 1 0 340.426 4.450 20 30 EIEDRO C=C(C[NH2+]Cc1ccccc1OCc1ccncc1)c1ccccc1 ZINC000620756497 1051272646 /nfs/dbraw/zinc/27/26/46/1051272646.db2.gz FNZJWZLCVKEBIE-UHFFFAOYSA-N 1 0 330.431 4.464 20 30 EIEDRO C=C(C[NH2+]Cc1cc(Br)ccc1OC)c1ccccc1 ZINC000620756708 1051273296 /nfs/dbraw/zinc/27/32/96/1051273296.db2.gz OHENPXANZBSUMM-UHFFFAOYSA-N 1 0 332.241 4.261 20 30 EIEDRO C=C(C[NH2+]Cc1ccccc1OCc1cccnc1)c1ccccc1 ZINC000620756661 1051273406 /nfs/dbraw/zinc/27/34/06/1051273406.db2.gz KWBBYZUHOCMJEB-UHFFFAOYSA-N 1 0 330.431 4.464 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000775415202 1051287661 /nfs/dbraw/zinc/28/76/61/1051287661.db2.gz LTQYROGJMWWNQZ-LEWJYISDSA-N 1 0 332.447 4.039 20 30 EIEDRO C#C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC001181697301 1051290060 /nfs/dbraw/zinc/29/00/60/1051290060.db2.gz HQLNVJXKTGGYGX-FOIQADDNSA-N 1 0 342.845 4.270 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc2c(cccc2O)s1 ZINC001181697146 1051291160 /nfs/dbraw/zinc/29/11/60/1051291160.db2.gz GDEYLIKFTLSSLX-UHFFFAOYSA-N 1 0 343.448 4.271 20 30 EIEDRO Cc1ccccc1CCC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001174985302 1051304642 /nfs/dbraw/zinc/30/46/42/1051304642.db2.gz ZJOCOINCLPOMBO-UHFFFAOYSA-N 1 0 333.479 4.376 20 30 EIEDRO C=CC1CC[NH+](Cc2nc3ccccc3n2-c2ccc(OC)cc2)CC1 ZINC001191013290 1051326771 /nfs/dbraw/zinc/32/67/71/1051326771.db2.gz IQBLLCPICJNAKI-UHFFFAOYSA-N 1 0 347.462 4.432 20 30 EIEDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000773952751 1051340383 /nfs/dbraw/zinc/34/03/83/1051340383.db2.gz BPYNNLGIJYVYBM-SFHVURJKSA-N 1 0 336.863 4.023 20 30 EIEDRO CCCCCCCNC(=O)N(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001191104908 1051351610 /nfs/dbraw/zinc/35/16/10/1051351610.db2.gz WOTUYGBQBLQLMP-UHFFFAOYSA-N 1 0 337.552 4.395 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)cc1 ZINC000774133783 1051477670 /nfs/dbraw/zinc/47/76/70/1051477670.db2.gz WRWCOYPJRJRDBG-IFXJQAMLSA-N 1 0 333.435 4.245 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccc(C#N)cc1 ZINC000774133789 1051477694 /nfs/dbraw/zinc/47/76/94/1051477694.db2.gz WRWCOYPJRJRDBG-LIRRHRJNSA-N 1 0 333.435 4.245 20 30 EIEDRO CO[C@H]1CC[C@@H](C)[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001175301312 1051484636 /nfs/dbraw/zinc/48/46/36/1051484636.db2.gz QWNWHFFWFMCOKD-KNQAVFIVSA-N 1 0 348.490 4.386 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC(C)C)c1)c1ccc(C#N)cc1 ZINC000774204225 1051499924 /nfs/dbraw/zinc/49/99/24/1051499924.db2.gz QOOVYHROKLMKLH-RTWAWAEBSA-N 1 0 338.451 4.120 20 30 EIEDRO C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001191774816 1051532290 /nfs/dbraw/zinc/53/22/90/1051532290.db2.gz ZVBHYYSEPXKHEU-WZONZLPQSA-N 1 0 345.490 4.119 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001191741249 1051537693 /nfs/dbraw/zinc/53/76/93/1051537693.db2.gz IAPDLQWKJJWUKK-UXHICEINSA-N 1 0 342.389 4.097 20 30 EIEDRO CC(=O)Nc1ccc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc1C#N ZINC001175366524 1051555035 /nfs/dbraw/zinc/55/50/35/1051555035.db2.gz LOANIRBMMPAGED-UHFFFAOYSA-N 1 0 348.450 4.246 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001182665304 1051663708 /nfs/dbraw/zinc/66/37/08/1051663708.db2.gz GENXSYBVRYJUIN-JLSDUUJJSA-N 1 0 342.483 4.475 20 30 EIEDRO C=CCCC1(C[NH2+]Cc2ccc(O[C@H](C)C(=O)OC)cc2)CCCC1 ZINC001182865195 1051726115 /nfs/dbraw/zinc/72/61/15/1051726115.db2.gz UCLOGWKJOHRUQS-QGZVFWFLSA-N 1 0 345.483 4.243 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCCCCc1ccccc1 ZINC001182919119 1051730162 /nfs/dbraw/zinc/73/01/62/1051730162.db2.gz VFVITIZKINZOQU-LJQANCHMSA-N 1 0 328.500 4.478 20 30 EIEDRO CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)CC(=O)OC(C)(C)C ZINC001182991291 1051756483 /nfs/dbraw/zinc/75/64/83/1051756483.db2.gz VIMPFMMUHORPEO-INIZCTEOSA-N 1 0 348.462 4.181 20 30 EIEDRO COc1ccc([C@@H]([NH2+]CC#Cc2ccccc2Cl)C2CC2)cc1 ZINC001192585606 1051771597 /nfs/dbraw/zinc/77/15/97/1051771597.db2.gz XSXXTMTXVKJBBU-FQEVSTJZSA-N 1 0 325.839 4.441 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3cccc(C(C)(C)C#N)c3)cc2)CC1 ZINC001175781151 1051785293 /nfs/dbraw/zinc/78/52/93/1051785293.db2.gz CXHHTZOIDRYFRI-UHFFFAOYSA-N 1 0 348.494 4.373 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)[C@H]1CCCC[C@H]1C ZINC001183196583 1051804125 /nfs/dbraw/zinc/80/41/25/1051804125.db2.gz DYQMWVYRNMMOOI-HLIPFELVSA-N 1 0 325.500 4.331 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC001183155946 1051806219 /nfs/dbraw/zinc/80/62/19/1051806219.db2.gz JVACPVYKLSKYGB-INIZCTEOSA-N 1 0 341.838 4.047 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC001183247360 1051815661 /nfs/dbraw/zinc/81/56/61/1051815661.db2.gz BXKKQGDCXQAUMH-FYFSBDKLSA-N 1 0 348.531 4.497 20 30 EIEDRO C#CC[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001192791068 1051817570 /nfs/dbraw/zinc/81/75/70/1051817570.db2.gz FUYXIPKBVRYBMV-SFHVURJKSA-N 1 0 333.353 4.438 20 30 EIEDRO C[C@H]1CCC[C@H](C2C[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)C1 ZINC001183443831 1051844796 /nfs/dbraw/zinc/84/47/96/1051844796.db2.gz JXLXXHLDAONQRU-LPHOPBHVSA-N 1 0 348.494 4.217 20 30 EIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001183453220 1051847287 /nfs/dbraw/zinc/84/72/87/1051847287.db2.gz ARHSPYXBELPEDO-UGSOOPFHSA-N 1 0 344.380 4.265 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cccc(OC(F)(F)F)c1 ZINC001175935267 1051847694 /nfs/dbraw/zinc/84/76/94/1051847694.db2.gz KJTHSNNXHUOHEW-ZDUSSCGKSA-N 1 0 334.341 4.350 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)CCCC2 ZINC001183524966 1051852351 /nfs/dbraw/zinc/85/23/51/1051852351.db2.gz AAARGYQFPMOVPE-PBHICJAKSA-N 1 0 330.472 4.389 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000774640957 1051853962 /nfs/dbraw/zinc/85/39/62/1051853962.db2.gz XRWUGEVVKBROOV-VAMGGRTRSA-N 1 0 340.854 4.145 20 30 EIEDRO C=CCCC[C@@H]([NH2+]C1CCC(CNC(C)=O)CC1)c1ccccc1 ZINC001183550234 1051863089 /nfs/dbraw/zinc/86/30/89/1051863089.db2.gz ITTZFXBWQNHGDO-DQVLVPHSSA-N 1 0 328.500 4.369 20 30 EIEDRO C=CC(C)(C)CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC001183671357 1051881978 /nfs/dbraw/zinc/88/19/78/1051881978.db2.gz HDKWZFDFVJTQGK-UHFFFAOYSA-N 1 0 326.484 4.401 20 30 EIEDRO COc1ccccc1OCC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775582271 1051887133 /nfs/dbraw/zinc/88/71/33/1051887133.db2.gz UYVAGSVZYISCLO-UHFFFAOYSA-N 1 0 338.451 4.007 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCCCCC2)c(C#N)c1C ZINC001193260419 1051892095 /nfs/dbraw/zinc/89/20/95/1051892095.db2.gz IKRIFCNHUMPNDK-ZIAGYGMSSA-N 1 0 331.460 4.044 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccc(F)cc1Cl ZINC000775587258 1051893700 /nfs/dbraw/zinc/89/37/00/1051893700.db2.gz VJONGVLKSHTLGR-IBGZPJMESA-N 1 0 344.817 4.072 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cc2ccccc2s1 ZINC000184373216 1051928016 /nfs/dbraw/zinc/92/80/16/1051928016.db2.gz INHZPDGRLHMWMJ-NSHDSACASA-N 1 0 341.461 4.124 20 30 EIEDRO CC[C@@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001193516835 1051942944 /nfs/dbraw/zinc/94/29/44/1051942944.db2.gz IJPQYWLTFDRQKM-HXUWFJFHSA-N 1 0 342.870 4.375 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2c(C#N)cccc2C(F)(F)F)cc1 ZINC001176229065 1051964441 /nfs/dbraw/zinc/96/44/41/1051964441.db2.gz HWEASDKZJBGNFF-UHFFFAOYSA-N 1 0 349.356 4.261 20 30 EIEDRO C=CC[N@@H+](C)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001193607038 1051964938 /nfs/dbraw/zinc/96/49/38/1051964938.db2.gz SEFWWEHWBXIAQV-SFHVURJKSA-N 1 0 346.268 4.267 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2c(F)cc(C#N)cc2Cl)cc1 ZINC001176228676 1051965168 /nfs/dbraw/zinc/96/51/68/1051965168.db2.gz VCKFGKODDBEKSE-UHFFFAOYSA-N 1 0 333.794 4.035 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2ccc(N3CCCCC3)c(C#N)c2)cc1 ZINC001176293006 1051981510 /nfs/dbraw/zinc/98/15/10/1051981510.db2.gz CCHLSSMFTSWWSD-UHFFFAOYSA-N 1 0 334.467 4.354 20 30 EIEDRO C#CCCCCCC[N@H+]1CCN(Cc2ccccc2OCC)C[C@H]1C ZINC001193754107 1051992035 /nfs/dbraw/zinc/99/20/35/1051992035.db2.gz PYUFKSIVBLFEDC-HXUWFJFHSA-N 1 0 342.527 4.175 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)cc1Cl ZINC001203271499 1052001773 /nfs/dbraw/zinc/00/17/73/1052001773.db2.gz SVSJOESMUDDWSX-RBUKOAKNSA-N 1 0 335.875 4.342 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC001193859533 1052016807 /nfs/dbraw/zinc/01/68/07/1052016807.db2.gz KZFRJNBWBBNSCL-OAQYLSRUSA-N 1 0 328.419 4.285 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1(C)C ZINC001193921179 1052028575 /nfs/dbraw/zinc/02/85/75/1052028575.db2.gz WFUYKTHNQANWAA-INIZCTEOSA-N 1 0 333.388 4.070 20 30 EIEDRO C[NH+]1CCC(c2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2)CC1 ZINC001184749357 1052098866 /nfs/dbraw/zinc/09/88/66/1052098866.db2.gz HEFDLQCFHMUPDC-UHFFFAOYSA-N 1 0 334.423 4.011 20 30 EIEDRO N#Cc1cncc(C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC001194262521 1052119269 /nfs/dbraw/zinc/11/92/69/1052119269.db2.gz OPYHEJCCYMAVFE-KRWDZBQOSA-N 1 0 345.368 4.352 20 30 EIEDRO Cc1c(Cl)cccc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001194300861 1052123773 /nfs/dbraw/zinc/12/37/73/1052123773.db2.gz QXTFORNSQBTAQG-UHFFFAOYSA-N 1 0 339.870 4.232 20 30 EIEDRO C=CCn1cc(Nc2ccc3c(c2)CC[C@@H]([NH+]2CCCC2)CC3)cn1 ZINC001176550947 1052129394 /nfs/dbraw/zinc/12/93/94/1052129394.db2.gz RQIJPWWAXCSCDM-NRFANRHFSA-N 1 0 336.483 4.156 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000774835211 1052177442 /nfs/dbraw/zinc/17/74/42/1052177442.db2.gz KCEQPOQRKUAVEW-AWEZNQCLSA-N 1 0 344.842 4.492 20 30 EIEDRO C=CCC[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC001176767309 1052193100 /nfs/dbraw/zinc/19/31/00/1052193100.db2.gz FIOYKQQOLQFOFR-MSOLQXFVSA-N 1 0 334.891 4.338 20 30 EIEDRO C=CC[N@H+](Cc1nc2ccc(Br)cc2s1)C(C)C ZINC000774841179 1052193936 /nfs/dbraw/zinc/19/39/36/1052193936.db2.gz XALLUURUSKFJTE-UHFFFAOYSA-N 1 0 325.275 4.455 20 30 EIEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000072697600 1052571637 /nfs/dbraw/zinc/57/16/37/1052571637.db2.gz ILUUJCAFLQRZLI-OWCLPIDISA-N 1 0 345.512 4.140 20 30 EIEDRO N#CCCn1cc(C(=O)C[N@H+](C2CC2)C2CCCC2)c2ccccc21 ZINC000174817944 1052574765 /nfs/dbraw/zinc/57/47/65/1052574765.db2.gz SAJIMKKXJLGDAE-UHFFFAOYSA-N 1 0 335.451 4.145 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)cc1 ZINC000072925097 1052637529 /nfs/dbraw/zinc/63/75/29/1052637529.db2.gz TWJZMPBMJFNVMI-SFHVURJKSA-N 1 0 345.446 4.125 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC2CCSCC2)cc1OC ZINC000623417493 1052651581 /nfs/dbraw/zinc/65/15/81/1052651581.db2.gz ABIPTSOISMEPTB-UHFFFAOYSA-N 1 0 341.904 4.146 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](C)c2ccncc2)cc1OC ZINC000623440594 1052656635 /nfs/dbraw/zinc/65/66/35/1052656635.db2.gz BYDCXVADFBXTBQ-AWEZNQCLSA-N 1 0 346.858 4.202 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](C)CC(F)F)cc1OC ZINC000623556463 1052678735 /nfs/dbraw/zinc/67/87/35/1052678735.db2.gz IHWRUOHOYXKWOU-LLVKDONJSA-N 1 0 333.806 4.294 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000186031235 1052854673 /nfs/dbraw/zinc/85/46/73/1052854673.db2.gz OPCJVJGGDOYFRH-CYBMUJFWSA-N 1 0 339.277 4.030 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000921510534 1052876357 /nfs/dbraw/zinc/87/63/57/1052876357.db2.gz WVRRHTUPHKJLLW-UHFFFAOYSA-N 1 0 335.451 4.059 20 30 EIEDRO N#CCSCCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000181594768 1052889198 /nfs/dbraw/zinc/88/91/98/1052889198.db2.gz LOAXSUQHJXZQBI-IBGZPJMESA-N 1 0 346.446 4.485 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc(Cl)cs3)CC2)nc1 ZINC000193200272 1053023720 /nfs/dbraw/zinc/02/37/20/1053023720.db2.gz ZOPBCQHTIJODKI-UHFFFAOYSA-N 1 0 347.871 4.148 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001194683537 1053071865 /nfs/dbraw/zinc/07/18/65/1053071865.db2.gz ORUQLODIQNHJDQ-ZRGWGRIASA-N 1 0 335.407 4.233 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(O)c(C(C)(C)C)c1 ZINC000850169120 1053080786 /nfs/dbraw/zinc/08/07/86/1053080786.db2.gz XJOVVIAYWAONKD-CQSZACIVSA-N 1 0 338.451 4.421 20 30 EIEDRO N#Cc1ccccc1OC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001203801138 1053092640 /nfs/dbraw/zinc/09/26/40/1053092640.db2.gz JPPWQPMYCUCBNS-UHFFFAOYSA-N 1 0 326.827 4.255 20 30 EIEDRO CCCCC[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC001168531865 1053095896 /nfs/dbraw/zinc/09/58/96/1053095896.db2.gz UAFFNDIKRJKLNV-GOSISDBHSA-N 1 0 329.488 4.471 20 30 EIEDRO Cc1cc(F)ccc1C[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000850351005 1053123875 /nfs/dbraw/zinc/12/38/75/1053123875.db2.gz XBAGRGCCNBTAFR-HZPDHXFCSA-N 1 0 326.415 4.146 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000850429413 1053204309 /nfs/dbraw/zinc/20/43/09/1053204309.db2.gz PWXYLNYIOLGARU-QUCCMNQESA-N 1 0 326.484 4.147 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cn3ccccc3n2)cc1 ZINC000764626357 1053238058 /nfs/dbraw/zinc/23/80/58/1053238058.db2.gz AMTSAMMEONLYLP-HNNXBMFYSA-N 1 0 341.842 4.316 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000850483132 1053252118 /nfs/dbraw/zinc/25/21/18/1053252118.db2.gz NHIPKUCSXCCPHM-ZBFHGGJFSA-N 1 0 329.444 4.206 20 30 EIEDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001195083447 1053265367 /nfs/dbraw/zinc/26/53/67/1053265367.db2.gz BSZKBWRUUNLZQY-NRFANRHFSA-N 1 0 333.479 4.140 20 30 EIEDRO C#CCOc1ccc([C@@H](C)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000764746700 1053289086 /nfs/dbraw/zinc/28/90/86/1053289086.db2.gz QNXWWWLTYOZUAP-AUSIDOKSSA-N 1 0 348.490 4.186 20 30 EIEDRO C[C@H]([NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2)c1ccc(OCC#N)cc1 ZINC000850545397 1053303653 /nfs/dbraw/zinc/30/36/53/1053303653.db2.gz CEIOFLWBNBVXFV-SNRMKQJTSA-N 1 0 342.483 4.366 20 30 EIEDRO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001195251976 1053346580 /nfs/dbraw/zinc/34/65/80/1053346580.db2.gz ZFIUXQNAECAWQC-DLBZAZTESA-N 1 0 334.504 4.150 20 30 EIEDRO CC[N@@H+](CC#Cc1ccc(Cl)cc1)CCOc1ccccc1C ZINC001195322422 1053358385 /nfs/dbraw/zinc/35/83/85/1053358385.db2.gz FKCJEMXZYWNURF-UHFFFAOYSA-N 1 0 327.855 4.401 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC001195367323 1053384785 /nfs/dbraw/zinc/38/47/85/1053384785.db2.gz IGRKDYLWZMVODN-CYBMUJFWSA-N 1 0 344.361 4.115 20 30 EIEDRO N#CCCOCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000339071359 1053385641 /nfs/dbraw/zinc/38/56/41/1053385641.db2.gz KXDIRVWUTJTEIO-YADHBBJMSA-N 1 0 334.463 4.368 20 30 EIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Br)C1 ZINC001195463469 1053407774 /nfs/dbraw/zinc/40/77/74/1053407774.db2.gz LUOXFDYSSZASDI-GFCCVEGCSA-N 1 0 326.665 4.338 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)cc1 ZINC000765014091 1053413151 /nfs/dbraw/zinc/41/31/51/1053413151.db2.gz JTPBPIPIDLJXED-QGZVFWFLSA-N 1 0 332.325 4.234 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)cc1 ZINC000765011656 1053418813 /nfs/dbraw/zinc/41/88/13/1053418813.db2.gz NMBBGYQINDUTBA-KRWDZBQOSA-N 1 0 345.215 4.237 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000765008478 1053418825 /nfs/dbraw/zinc/41/88/25/1053418825.db2.gz DAUNMGBLQHSNAV-CQSZACIVSA-N 1 0 341.842 4.027 20 30 EIEDRO C[C@H](CC(C)(C)C#N)OC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000851204469 1053437258 /nfs/dbraw/zinc/43/72/58/1053437258.db2.gz ADTAGZMXJLDIQJ-MRXNPFEDSA-N 1 0 328.456 4.158 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2cccc(C)n2)cc1 ZINC000794826844 1053439337 /nfs/dbraw/zinc/43/93/37/1053439337.db2.gz FOXWLLGEYJCNHK-INIZCTEOSA-N 1 0 330.859 4.415 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1 ZINC000765264454 1053488450 /nfs/dbraw/zinc/48/84/50/1053488450.db2.gz UBNODSSFADRMDF-KUHUBIRLSA-N 1 0 349.833 4.341 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000794839086 1053515382 /nfs/dbraw/zinc/51/53/82/1053515382.db2.gz YPAUVXFYPDARJX-IVMQYODDSA-N 1 0 348.918 4.485 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000765390110 1053531176 /nfs/dbraw/zinc/53/11/76/1053531176.db2.gz AGVZJOXVRGMKPR-FOIQADDNSA-N 1 0 339.410 4.402 20 30 EIEDRO C=C(C[NH2+][C@@H](C)c1ccc(OC)c(Cn2cccn2)c1)c1ccccc1 ZINC000765414866 1053538109 /nfs/dbraw/zinc/53/81/09/1053538109.db2.gz AMTYOTYPOWHGKA-SFHVURJKSA-N 1 0 347.462 4.304 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(C(C)(F)F)cc1 ZINC000865579110 1053551651 /nfs/dbraw/zinc/55/16/51/1053551651.db2.gz TXAFLXKZPHNOGU-UHFFFAOYSA-N 1 0 329.394 4.026 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2Br)cc1 ZINC000765460557 1053555667 /nfs/dbraw/zinc/55/56/67/1053555667.db2.gz IFKAKQQYWFSJTQ-CQSZACIVSA-N 1 0 344.252 4.312 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCC(=O)Nc1ccccc1C(C)=O ZINC001196058044 1053566157 /nfs/dbraw/zinc/56/61/57/1053566157.db2.gz WHSGZTRGZPDKQK-IEBWSBKVSA-N 1 0 342.483 4.332 20 30 EIEDRO C=CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H](C)COC ZINC001196048025 1053572239 /nfs/dbraw/zinc/57/22/39/1053572239.db2.gz LMFZDHRJBIDWDE-HXUWFJFHSA-N 1 0 348.490 4.409 20 30 EIEDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000552199992 1053577247 /nfs/dbraw/zinc/57/72/47/1053577247.db2.gz QSTKXZPQBKYPMP-MRXNPFEDSA-N 1 0 333.863 4.051 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000865781966 1053592210 /nfs/dbraw/zinc/59/22/10/1053592210.db2.gz KTRWJEMTWNLPRO-UKPHBRMFSA-N 1 0 338.373 4.212 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCSCCC(F)(F)F)cc1 ZINC000865787641 1053594005 /nfs/dbraw/zinc/59/40/05/1053594005.db2.gz WWIBBECVDWNXLO-UHFFFAOYSA-N 1 0 330.419 4.263 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccccc2OC)cc1OC ZINC000865822134 1053599087 /nfs/dbraw/zinc/59/90/87/1053599087.db2.gz VIUXVVRPLZDQIF-OAHLLOKOSA-N 1 0 327.424 4.119 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](Cc2cccnc2)C2CCCC2)cc1 ZINC000865834849 1053604259 /nfs/dbraw/zinc/60/42/59/1053604259.db2.gz WNZSCPOKZCHKNO-VGOFRKELSA-N 1 0 349.478 4.264 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000852729386 1053606601 /nfs/dbraw/zinc/60/66/01/1053606601.db2.gz MYCQEKIGROYZDI-PMACEKPBSA-N 1 0 342.870 4.254 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2cc3cnccc3o2)cc(OC)c1O ZINC000865854233 1053610226 /nfs/dbraw/zinc/61/02/26/1053610226.db2.gz NFJWCTRPKGCXEP-CYBMUJFWSA-N 1 0 338.407 4.121 20 30 EIEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001196315097 1053630128 /nfs/dbraw/zinc/63/01/28/1053630128.db2.gz ZPFVAJCBWFGCDN-FUHWJXTLSA-N 1 0 341.417 4.430 20 30 EIEDRO C#CCCCCCC[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001196302500 1053636985 /nfs/dbraw/zinc/63/69/85/1053636985.db2.gz MDBWODHNUADZSI-JOCHJYFZSA-N 1 0 326.528 4.413 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC001196442547 1053660901 /nfs/dbraw/zinc/66/09/01/1053660901.db2.gz REBFOHHGMFDJLL-ZDUSSCGKSA-N 1 0 331.257 4.395 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)CCc2cncc3ccccc32)CC1 ZINC000866261026 1053667382 /nfs/dbraw/zinc/66/73/82/1053667382.db2.gz NCOMLDYDDLLNKF-GOSISDBHSA-N 1 0 337.511 4.186 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866261440 1053667415 /nfs/dbraw/zinc/66/74/15/1053667415.db2.gz UPJXRNYOBSHGTD-HSZRJFAPSA-N 1 0 349.522 4.386 20 30 EIEDRO CC(C)C[N@H+](CCO[C@@H](C)C#N)Cc1cccc(C(F)(F)F)c1 ZINC001196470264 1053675071 /nfs/dbraw/zinc/67/50/71/1053675071.db2.gz NRLXGHARCBVNDZ-AWEZNQCLSA-N 1 0 328.378 4.092 20 30 EIEDRO C[C@]1(C#N)CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000853598960 1053688864 /nfs/dbraw/zinc/68/88/64/1053688864.db2.gz HMMWVWOQZBFTNL-QGZVFWFLSA-N 1 0 345.240 4.043 20 30 EIEDRO C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC001196535360 1053697108 /nfs/dbraw/zinc/69/71/08/1053697108.db2.gz KVDNGJTZOIGLTR-LAUBAEHRSA-N 1 0 341.499 4.030 20 30 EIEDRO CC(C)([NH2+]Cc1csc(C#N)c1)c1ccc(Br)cc1 ZINC000921528585 1053697741 /nfs/dbraw/zinc/69/77/41/1053697741.db2.gz GNWXLDMKGMLGSP-UHFFFAOYSA-N 1 0 335.270 4.407 20 30 EIEDRO Cc1cccc(C)c1OCCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC001196622815 1053715226 /nfs/dbraw/zinc/71/52/26/1053715226.db2.gz LNZXZLCPKVTBOH-UHFFFAOYSA-N 1 0 334.463 4.197 20 30 EIEDRO C[C@@H](CCc1ccsc1)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000866448826 1053733795 /nfs/dbraw/zinc/73/37/95/1053733795.db2.gz NCWIMDJHADXRHX-INIZCTEOSA-N 1 0 339.508 4.199 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccc(C#N)cc1 ZINC000866448226 1053734043 /nfs/dbraw/zinc/73/40/43/1053734043.db2.gz BRSOGVAEWSMWFM-OAQYLSRUSA-N 1 0 344.462 4.140 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000866449661 1053736126 /nfs/dbraw/zinc/73/61/26/1053736126.db2.gz YXRSNPQVPMXZLN-VQIMIIECSA-N 1 0 329.463 4.035 20 30 EIEDRO COc1cc(C[NH2+]Cc2csc(C#N)c2)ccc1OCCC(C)C ZINC000921536983 1053738068 /nfs/dbraw/zinc/73/80/68/1053738068.db2.gz IWRMUGUBCYAHSY-UHFFFAOYSA-N 1 0 344.480 4.343 20 30 EIEDRO C=CCCC[NH+]1CCC(c2nccc(-c3ccccc3OC)n2)CC1 ZINC000854096030 1053753303 /nfs/dbraw/zinc/75/33/03/1053753303.db2.gz JKPNHQFYZCJNJI-UHFFFAOYSA-N 1 0 337.467 4.298 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC1 ZINC000866537780 1053772362 /nfs/dbraw/zinc/77/23/62/1053772362.db2.gz INZZWLKHYOUVIF-YOLZPYMBSA-N 1 0 338.495 4.043 20 30 EIEDRO N#Cc1cc2ccc(N3C[C@H](CC[NH3+])c4ccccc43)cc2cc1C#N ZINC001168547542 1053782038 /nfs/dbraw/zinc/78/20/38/1053782038.db2.gz FKNQEFKLANMCLV-INIZCTEOSA-N 1 0 338.414 4.167 20 30 EIEDRO CC1(C)CCCC[C@@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC001196859577 1053797903 /nfs/dbraw/zinc/79/79/03/1053797903.db2.gz FPPXYHMMIODMIV-LJQANCHMSA-N 1 0 326.484 4.370 20 30 EIEDRO COc1cccc(CC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC001196935126 1053803026 /nfs/dbraw/zinc/80/30/26/1053803026.db2.gz HEJVMOKGNWLWBZ-UHFFFAOYSA-N 1 0 338.426 4.161 20 30 EIEDRO Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000866617709 1053807424 /nfs/dbraw/zinc/80/74/24/1053807424.db2.gz NZGAPCGVRVYXGT-HMXCVIKNSA-N 1 0 331.463 4.045 20 30 EIEDRO C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)[C@H](C)c1nc2ccccc2s1 ZINC000866617168 1053807775 /nfs/dbraw/zinc/80/77/75/1053807775.db2.gz FYUZZKXCLWRZFS-SUNYJGFJSA-N 1 0 347.487 4.417 20 30 EIEDRO C=CCC1([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CCCCC1 ZINC001196952143 1053811787 /nfs/dbraw/zinc/81/17/87/1053811787.db2.gz COSCLMFAQBVNGW-IAGOWNOFSA-N 1 0 336.520 4.358 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C[C@@H](C)O2 ZINC001197272453 1053866314 /nfs/dbraw/zinc/86/63/14/1053866314.db2.gz AGWFUIARNQUXLX-IRLDBZIGSA-N 1 0 344.543 4.322 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186064 1053883954 /nfs/dbraw/zinc/88/39/54/1053883954.db2.gz LRSIMZKYFDOPAP-RBUKOAKNSA-N 1 0 327.472 4.101 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429518362 1053891075 /nfs/dbraw/zinc/89/10/75/1053891075.db2.gz LUXJWBWMEITAJB-JOCHJYFZSA-N 1 0 338.470 4.350 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccc3[nH]ccc32)ccc1OC ZINC000113347908 1053924056 /nfs/dbraw/zinc/92/40/56/1053924056.db2.gz RWRFKQAPWKXIHK-KRWDZBQOSA-N 1 0 349.434 4.147 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(Cl)cc2)ccc1OC ZINC000113348156 1053924591 /nfs/dbraw/zinc/92/45/91/1053924591.db2.gz DVYFUZCIOUTCJG-QGZVFWFLSA-N 1 0 344.842 4.319 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1F ZINC001197611846 1053944899 /nfs/dbraw/zinc/94/48/99/1053944899.db2.gz WNVVWXQLAUGVIU-PWSUYJOCSA-N 1 0 345.245 4.228 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000776816165 1053945173 /nfs/dbraw/zinc/94/51/73/1053945173.db2.gz NROBLTBKJSYQKB-KRWDZBQOSA-N 1 0 333.353 4.134 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cc1 ZINC000776849486 1054006650 /nfs/dbraw/zinc/00/66/50/1054006650.db2.gz LALLGLZSHCQQLQ-WBADGQHESA-N 1 0 346.474 4.250 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2F)c1 ZINC000113952486 1054026503 /nfs/dbraw/zinc/02/65/03/1054026503.db2.gz DMEGDYPQGWJNIL-XJKSGUPXSA-N 1 0 330.378 4.497 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2F)c1 ZINC000113952492 1054026827 /nfs/dbraw/zinc/02/68/27/1054026827.db2.gz DMEGDYPQGWJNIL-CZUORRHYSA-N 1 0 330.378 4.497 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)cc1 ZINC000113961555 1054033441 /nfs/dbraw/zinc/03/34/41/1054033441.db2.gz ZVZWEERVQOXMRZ-IBGZPJMESA-N 1 0 336.435 4.222 20 30 EIEDRO C#CCC1([NH2+]Cc2ccccc2OCC(F)(F)F)CCCCC1 ZINC001198083946 1054069193 /nfs/dbraw/zinc/06/91/93/1054069193.db2.gz FCHJPHXAHHJYAC-UHFFFAOYSA-N 1 0 325.374 4.444 20 30 EIEDRO C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000429533580 1054080224 /nfs/dbraw/zinc/08/02/24/1054080224.db2.gz GVIJTBWUPGTXRO-NRFANRHFSA-N 1 0 333.479 4.141 20 30 EIEDRO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC001198309985 1054128407 /nfs/dbraw/zinc/12/84/07/1054128407.db2.gz NKIBPYHOTHCBEC-NRFANRHFSA-N 1 0 342.483 4.201 20 30 EIEDRO CCC[C@](C)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC001198633277 1054213386 /nfs/dbraw/zinc/21/33/86/1054213386.db2.gz YDMJJUANUANFRU-NRFANRHFSA-N 1 0 335.451 4.192 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CO[C@@H]2CCC[C@@H](C)C2)c1 ZINC001626055566 1054214511 /nfs/dbraw/zinc/21/45/11/1054214511.db2.gz IRSDCRTWHWNCJA-OXQOHEQNSA-N 1 0 344.499 4.228 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2)cc1 ZINC000123663780 1054219052 /nfs/dbraw/zinc/21/90/52/1054219052.db2.gz HTBZLAVXDFUQIF-DNVCBOLYSA-N 1 0 331.843 4.202 20 30 EIEDRO COc1ccc([C@@H]2C[C@H]([NH2+][C@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC001168575458 1054222967 /nfs/dbraw/zinc/22/29/67/1054222967.db2.gz GSVJCDGDJMOUCN-VMRPVKRXSA-N 1 0 336.435 4.138 20 30 EIEDRO C=CCCCC[N@@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198837702 1054289144 /nfs/dbraw/zinc/28/91/44/1054289144.db2.gz PMBHOUFJYKGRQR-XLIONFOSSA-N 1 0 336.520 4.360 20 30 EIEDRO Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000871873026 1054315884 /nfs/dbraw/zinc/31/58/84/1054315884.db2.gz XRSCVPXNJSVKNA-KGLIPLIRSA-N 1 0 341.842 4.198 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000123914148 1054329806 /nfs/dbraw/zinc/32/98/06/1054329806.db2.gz YRJWQCRTZPPUOE-OALUTQOASA-N 1 0 326.415 4.108 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+]Cc1c(C)cc(C#N)cc1C)Cc1ccccc1 ZINC001199188923 1054362396 /nfs/dbraw/zinc/36/23/96/1054362396.db2.gz GUQHWONWACMURA-JOCHJYFZSA-N 1 0 349.522 4.218 20 30 EIEDRO N#Cc1cc(C[NH2+]Cc2cccc(COCc3ccco3)c2)cs1 ZINC001199248509 1054373558 /nfs/dbraw/zinc/37/35/58/1054373558.db2.gz UUXRCVFMJXPNES-UHFFFAOYSA-N 1 0 338.432 4.219 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+]CC(C)(C)CCC#N)CCCC2 ZINC000872070700 1054376040 /nfs/dbraw/zinc/37/60/40/1054376040.db2.gz HBQNVAQHZXFBHE-QGZVFWFLSA-N 1 0 330.472 4.391 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000872116563 1054396354 /nfs/dbraw/zinc/39/63/54/1054396354.db2.gz SJTHUINEXNNHQA-UHFFFAOYSA-N 1 0 331.872 4.290 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC1 ZINC000872123431 1054402145 /nfs/dbraw/zinc/40/21/45/1054402145.db2.gz PRAKGGZRIGJOFP-UHFFFAOYSA-N 1 0 347.418 4.027 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045973 1054407824 /nfs/dbraw/zinc/40/78/24/1054407824.db2.gz FDZXENCPTBJEPU-MGPUTAFESA-N 1 0 333.435 4.045 20 30 EIEDRO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c[nH]c4c3cccc4F)C2)c1 ZINC001137059346 1054442233 /nfs/dbraw/zinc/44/22/33/1054442233.db2.gz XPXXZPWJRGZXAP-SFHVURJKSA-N 1 0 349.409 4.222 20 30 EIEDRO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011867 1054445958 /nfs/dbraw/zinc/44/59/58/1054445958.db2.gz BYBWBDVSLGAMHI-RHSMWYFYSA-N 1 0 339.405 4.199 20 30 EIEDRO C[NH+](C)Cc1ccc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)cc1 ZINC000858289518 1054456132 /nfs/dbraw/zinc/45/61/32/1054456132.db2.gz ZWYDGXQHJZMYPG-UHFFFAOYSA-N 1 0 347.462 4.070 20 30 EIEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC001199761739 1054464399 /nfs/dbraw/zinc/46/43/99/1054464399.db2.gz ZXAQQURXCPUUDR-HDICACEKSA-N 1 0 339.527 4.088 20 30 EIEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC001199761744 1054464482 /nfs/dbraw/zinc/46/44/82/1054464482.db2.gz ZXAQQURXCPUUDR-QZTJIDSGSA-N 1 0 339.527 4.088 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)cc1 ZINC000873156302 1054494588 /nfs/dbraw/zinc/49/45/88/1054494588.db2.gz UEZDQOYEBHDTKU-NSHDSACASA-N 1 0 340.370 4.348 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC000873172539 1054499114 /nfs/dbraw/zinc/49/91/14/1054499114.db2.gz CHDKPBBYMMUNCR-UHFFFAOYSA-N 1 0 336.483 4.008 20 30 EIEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000105433128 1054521177 /nfs/dbraw/zinc/52/11/77/1054521177.db2.gz QYRRBYHLZBQETJ-KRWDZBQOSA-N 1 0 338.451 4.186 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282193914 1054535444 /nfs/dbraw/zinc/53/54/44/1054535444.db2.gz WTKLAXFKOWSGFT-APWZRJJASA-N 1 0 334.467 4.032 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)CCOCCC#N ZINC000339018868 1054686254 /nfs/dbraw/zinc/68/62/54/1054686254.db2.gz JLJKHZPMXSENJD-OAHLLOKOSA-N 1 0 329.469 4.042 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000859562180 1054698507 /nfs/dbraw/zinc/69/85/07/1054698507.db2.gz JZNLEQQHBKBLPY-LJQANCHMSA-N 1 0 341.842 4.268 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(S(=O)(=O)C(F)F)cc2)CCCCC1 ZINC000859746623 1054721170 /nfs/dbraw/zinc/72/11/70/1054721170.db2.gz UVKXLOMPRIIYDR-UHFFFAOYSA-N 1 0 343.439 4.052 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2cc(C#N)ccc2Br)c1 ZINC001201402631 1054776722 /nfs/dbraw/zinc/77/67/22/1054776722.db2.gz CHBJIHSSHCELEA-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2cccc(C#N)c2Br)c1 ZINC001201402871 1054776913 /nfs/dbraw/zinc/77/69/13/1054776913.db2.gz LVYXLVVRLKOBSK-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO CCCCCn1cc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(C)n1 ZINC000776172698 1054801536 /nfs/dbraw/zinc/80/15/36/1054801536.db2.gz XJFCNJNEDBZECI-INIZCTEOSA-N 1 0 340.471 4.135 20 30 EIEDRO N#Cc1cc(F)ccc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201477997 1054830650 /nfs/dbraw/zinc/83/06/50/1054830650.db2.gz QAFSPLNTVMIGIG-UXHICEINSA-N 1 0 333.410 4.430 20 30 EIEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC001201760516 1054898326 /nfs/dbraw/zinc/89/83/26/1054898326.db2.gz GURXTZIVRWHNNU-LBPRGKRZSA-N 1 0 332.271 4.055 20 30 EIEDRO CCCCCCC[N@H+]1Cc2cn(CC3CC3)nc2[C@@H](COCC)C1 ZINC001201762743 1054899248 /nfs/dbraw/zinc/89/92/48/1054899248.db2.gz SHJNSEFWJFLZIP-LJQANCHMSA-N 1 0 333.520 4.199 20 30 EIEDRO C=C(C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C)c1ccccc1 ZINC000671743980 1054903842 /nfs/dbraw/zinc/90/38/42/1054903842.db2.gz LFJVUWRZYKLJSV-MRXNPFEDSA-N 1 0 325.452 4.246 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@]2(CCN(Cc3cccc(C)c3)C2=O)C1 ZINC001201776681 1054914870 /nfs/dbraw/zinc/91/48/70/1054914870.db2.gz HWKNULZLXZAAJM-QFIPXVFZSA-N 1 0 342.527 4.390 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@@]2(c3ccccc3)CCN(C(C)=O)[C@H]2C1 ZINC001201776477 1054915458 /nfs/dbraw/zinc/91/54/58/1054915458.db2.gz DIRHQJPGKJTBHT-VXKWHMMOSA-N 1 0 342.527 4.221 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001201838660 1054930882 /nfs/dbraw/zinc/93/08/82/1054930882.db2.gz BHWMYWOXUSUVFQ-RBBKRZOGSA-N 1 0 342.527 4.343 20 30 EIEDRO CCCCCCCCC[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001201846842 1054933769 /nfs/dbraw/zinc/93/37/69/1054933769.db2.gz NGNIDZRISDDKCZ-HDICACEKSA-N 1 0 332.488 4.034 20 30 EIEDRO CCCCCCCCCC[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001201874885 1054941237 /nfs/dbraw/zinc/94/12/37/1054941237.db2.gz KOFLFYZEDCPSCK-KDURUIRLSA-N 1 0 346.515 4.424 20 30 EIEDRO CCCCCCCCCC[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001201874944 1054941668 /nfs/dbraw/zinc/94/16/68/1054941668.db2.gz LXLDPJPRICWJKE-HXUWFJFHSA-N 1 0 330.520 4.272 20 30 EIEDRO C#CCCCCCC[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000876727052 1054951269 /nfs/dbraw/zinc/95/12/69/1054951269.db2.gz CXCGQQOCQHTCDV-OAQYLSRUSA-N 1 0 332.532 4.073 20 30 EIEDRO CCc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C3(C#N)CC3)cc1)CCO2 ZINC001201920803 1054951838 /nfs/dbraw/zinc/95/18/38/1054951838.db2.gz USBYWENQYILELB-HXUWFJFHSA-N 1 0 332.447 4.418 20 30 EIEDRO C[C@@H](CCC#N)C[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000876767069 1054955122 /nfs/dbraw/zinc/95/51/22/1054955122.db2.gz AIUWENWPMQXOIV-INIZCTEOSA-N 1 0 349.519 4.038 20 30 EIEDRO C=CCOCc1nn(C)c2c1C[N@H+](CC[C@H](C)CCC=C(C)C)CC2 ZINC001201974187 1054974282 /nfs/dbraw/zinc/97/42/82/1054974282.db2.gz WLPUCNYMFDGYPS-GOSISDBHSA-N 1 0 345.531 4.253 20 30 EIEDRO CCCCCCCCCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877018387 1055001742 /nfs/dbraw/zinc/00/17/42/1055001742.db2.gz VRTQZXRQBINEOZ-LSDHHAIUSA-N 1 0 336.442 4.113 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000877107349 1055018356 /nfs/dbraw/zinc/01/83/56/1055018356.db2.gz DAWBGUDBJTWLDG-CVEARBPZSA-N 1 0 345.487 4.302 20 30 EIEDRO Cc1cc(CN2CCC[C@@H](CC#N)C2)c(Br)cc1F ZINC000862408084 1055062398 /nfs/dbraw/zinc/06/23/98/1055062398.db2.gz UAVDKBBDOVOYRR-LBPRGKRZSA-N 1 0 325.225 4.022 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000877489810 1055064673 /nfs/dbraw/zinc/06/46/73/1055064673.db2.gz SLORITYAWBXSTM-WMLDXEAASA-N 1 0 329.806 4.172 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877552340 1055078360 /nfs/dbraw/zinc/07/83/60/1055078360.db2.gz CRTXCEMHSDJAIS-FGTMMUONSA-N 1 0 349.519 4.038 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)c1 ZINC000877555624 1055079403 /nfs/dbraw/zinc/07/94/03/1055079403.db2.gz XXHYPGOUATUEBA-MQMHXKEQSA-N 1 0 332.234 4.296 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000877549247 1055079491 /nfs/dbraw/zinc/07/94/91/1055079491.db2.gz ABFAHUNXIBDMKY-WHXUTIOJSA-N 1 0 331.769 4.487 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCCCC1 ZINC000877570436 1055084685 /nfs/dbraw/zinc/08/46/85/1055084685.db2.gz IDMGVZDYOZMJFL-UHFFFAOYSA-N 1 0 328.500 4.016 20 30 EIEDRO C=C[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccccc1 ZINC001137123691 1055088690 /nfs/dbraw/zinc/08/86/90/1055088690.db2.gz TVRGRHYHGUSHLD-RBUKOAKNSA-N 1 0 342.870 4.029 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001202259318 1055101881 /nfs/dbraw/zinc/10/18/81/1055101881.db2.gz PWBFQMLBWXVELW-YLJYHZDGSA-N 1 0 337.442 4.189 20 30 EIEDRO CC1CCC(C)(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC001202269313 1055105904 /nfs/dbraw/zinc/10/59/04/1055105904.db2.gz GOTSXGHWAQTVPL-UHFFFAOYSA-N 1 0 336.483 4.265 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001202382331 1055158059 /nfs/dbraw/zinc/15/80/59/1055158059.db2.gz XQMAHRMRRREJAQ-IBGZPJMESA-N 1 0 331.406 4.013 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000112515243 1055232575 /nfs/dbraw/zinc/23/25/75/1055232575.db2.gz BGYPESRPBYKHOF-HZPDHXFCSA-N 1 0 328.481 4.002 20 30 EIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000765779471 1055274167 /nfs/dbraw/zinc/27/41/67/1055274167.db2.gz WNDWXXIOPRYNEW-GFCCVEGCSA-N 1 0 328.250 4.043 20 30 EIEDRO C=CC(C)(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000624465218 1055307562 /nfs/dbraw/zinc/30/75/62/1055307562.db2.gz IDPDZEXMLBBXCI-RDJZCZTQSA-N 1 0 349.544 4.033 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCc2c(C)cc(C)cc2C1)c1ccccc1 ZINC000878458288 1055318831 /nfs/dbraw/zinc/31/88/31/1055318831.db2.gz MOAQKFWTVOSRST-HSZRJFAPSA-N 1 0 346.474 4.102 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)C/C(C)=C\c1ccccc1)c1ccccc1 ZINC000878509635 1055328629 /nfs/dbraw/zinc/32/86/29/1055328629.db2.gz SEXFMIHGHOLRNN-NMJXDZPISA-N 1 0 346.474 4.462 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)cc1 ZINC000127175620 1055337723 /nfs/dbraw/zinc/33/77/23/1055337723.db2.gz XXLLDWQOEJDZGD-OALUTQOASA-N 1 0 326.827 4.082 20 30 EIEDRO C#CC1CC[NH+]([C@@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CC1 ZINC000878764668 1055392438 /nfs/dbraw/zinc/39/24/38/1055392438.db2.gz SVTNQFIBMANSNV-HNNXBMFYSA-N 1 0 331.419 4.296 20 30 EIEDRO C[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273420790 1055805007 /nfs/dbraw/zinc/80/50/07/1055805007.db2.gz JTZRCEDCZJRZTI-AZUAARDMSA-N 1 0 342.389 4.189 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000273467413 1055866367 /nfs/dbraw/zinc/86/63/67/1055866367.db2.gz RKWJKBCWZFWZNB-YHJVDBJQSA-N 1 0 342.389 4.407 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Cl)s1 ZINC000273484502 1055888570 /nfs/dbraw/zinc/88/85/70/1055888570.db2.gz IXGLDSPFXVVRCY-JTQLQIEISA-N 1 0 339.873 4.014 20 30 EIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2ccc(C#N)cn2)C1 ZINC000301112990 1055897135 /nfs/dbraw/zinc/89/71/35/1055897135.db2.gz SOPGOCAEQTWMDJ-IAGOWNOFSA-N 1 0 334.467 4.043 20 30 EIEDRO N#Cc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000301163285 1055902049 /nfs/dbraw/zinc/90/20/49/1055902049.db2.gz GSHIQMJTVGCSNF-INIZCTEOSA-N 1 0 349.356 4.419 20 30 EIEDRO N#Cc1ccc(NC2CC[NH+](C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000301518132 1055944063 /nfs/dbraw/zinc/94/40/63/1055944063.db2.gz FYVOHZRERAMELI-UHFFFAOYSA-N 1 0 337.389 4.396 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNc1ccc(Cl)c(C#N)n1)c1ccccc1 ZINC000301548192 1055948780 /nfs/dbraw/zinc/94/87/80/1055948780.db2.gz UMSCZJKEDVUIQF-CYBMUJFWSA-N 1 0 328.847 4.148 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000301614690 1055958667 /nfs/dbraw/zinc/95/86/67/1055958667.db2.gz IIFOWGZYFBVAHM-INIZCTEOSA-N 1 0 337.389 4.032 20 30 EIEDRO C[N@@H+]1CC[C@@H](CNc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301854056 1055993645 /nfs/dbraw/zinc/99/36/45/1055993645.db2.gz CGKIZBVPYWTEES-KXBFYZLASA-N 1 0 343.833 4.456 20 30 EIEDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc4cc(C#N)ccc4n3)C2)CC1 ZINC000301994750 1056005534 /nfs/dbraw/zinc/00/55/34/1056005534.db2.gz RXPPNBRGBKLYKH-IBGZPJMESA-N 1 0 348.494 4.055 20 30 EIEDRO C[N@@H+]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302840025 1056077518 /nfs/dbraw/zinc/07/75/18/1056077518.db2.gz ZVFZHTJZXFPCDF-ROUUACIJSA-N 1 0 347.796 4.347 20 30 EIEDRO N#Cc1cccc(C#N)c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000302905034 1056085114 /nfs/dbraw/zinc/08/51/14/1056085114.db2.gz VOQOIXUTUHTPMM-SEJPIABJSA-N 1 0 342.446 4.037 20 30 EIEDRO N#Cc1cc(F)c(NCc2cccc(C[NH+]3CCCC3)c2)c(F)c1 ZINC000060320136 1056417299 /nfs/dbraw/zinc/41/72/99/1056417299.db2.gz JBUAEGOMSTTYQK-UHFFFAOYSA-N 1 0 327.378 4.044 20 30 EIEDRO CCCCN(C(=O)c1sccc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000110713857 1056684177 /nfs/dbraw/zinc/68/41/77/1056684177.db2.gz VKIWVZVNYXSMAP-UHFFFAOYSA-N 1 0 347.528 4.171 20 30 EIEDRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934723 1056796708 /nfs/dbraw/zinc/79/67/08/1056796708.db2.gz SLWSBAWIHXJGGM-DLBZAZTESA-N 1 0 349.478 4.131 20 30 EIEDRO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934725 1056797582 /nfs/dbraw/zinc/79/75/82/1056797582.db2.gz SLWSBAWIHXJGGM-IRXDYDNUSA-N 1 0 349.478 4.131 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC(F)F ZINC000075755780 1056810656 /nfs/dbraw/zinc/81/06/56/1056810656.db2.gz IWGNYYBANLMBIN-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000063558967 1056819416 /nfs/dbraw/zinc/81/94/16/1056819416.db2.gz FSXSBLANWGDYOO-ZDUSSCGKSA-N 1 0 334.341 4.350 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000741791666 1058373817 /nfs/dbraw/zinc/37/38/17/1058373817.db2.gz WWIJTYJDWBGFIC-QGZVFWFLSA-N 1 0 340.854 4.307 20 30 EIEDRO CC(C)C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H](O)c1ccc(F)cc1 ZINC000741792318 1058375433 /nfs/dbraw/zinc/37/54/33/1058375433.db2.gz ZHJULYZOXMOWPQ-HXUWFJFHSA-N 1 0 344.405 4.028 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CC[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000742373726 1058599705 /nfs/dbraw/zinc/59/97/05/1058599705.db2.gz IGMGCRWCHSTWMA-GOSISDBHSA-N 1 0 337.463 4.381 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000742710054 1058719029 /nfs/dbraw/zinc/71/90/29/1058719029.db2.gz DFAOANUFQAZSAI-JTHBVZDNSA-N 1 0 349.474 4.265 20 30 EIEDRO CCCCCCCCCN(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000743675442 1059073507 /nfs/dbraw/zinc/07/35/07/1059073507.db2.gz WANNOHNHPDVSOY-YQQQUEKLSA-N 1 0 337.552 4.394 20 30 EIEDRO C#CC[N@@H+](CCC1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000743848048 1059149062 /nfs/dbraw/zinc/14/90/62/1059149062.db2.gz MVCSHRRPHYEKFD-MRXNPFEDSA-N 1 0 334.257 4.008 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743842792 1059172097 /nfs/dbraw/zinc/17/20/97/1059172097.db2.gz JMTOBYSHHMOZHY-IBGZPJMESA-N 1 0 328.843 4.156 20 30 EIEDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869125 1059181962 /nfs/dbraw/zinc/18/19/62/1059181962.db2.gz LSCYMGCTQGEDOK-HOTGVXAUSA-N 1 0 338.904 4.348 20 30 EIEDRO C#CC[N@@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000744739277 1059623281 /nfs/dbraw/zinc/62/32/81/1059623281.db2.gz RDVSTIPPEDAFAV-JXFKEZNVSA-N 1 0 349.902 4.046 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2cccc3cccnc32)c(O)c1 ZINC000745012838 1059692345 /nfs/dbraw/zinc/69/23/45/1059692345.db2.gz ORRTXRIUEKSRHW-HMAPJEAMSA-N 1 0 333.435 4.406 20 30 EIEDRO CCCCCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000745345650 1059816181 /nfs/dbraw/zinc/81/61/81/1059816181.db2.gz LDKMSYVNUPJOET-MOPGFXCFSA-N 1 0 337.552 4.394 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745707318 1059880138 /nfs/dbraw/zinc/88/01/38/1059880138.db2.gz ZLYAYXZHPUXNGX-OKZBNKHCSA-N 1 0 325.541 4.107 20 30 EIEDRO COc1ccc(C#N)cc1C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000746450994 1060341401 /nfs/dbraw/zinc/34/14/01/1060341401.db2.gz PLPVFKKPWGSRMV-UHFFFAOYSA-N 1 0 337.467 4.043 20 30 EIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000746460197 1060356141 /nfs/dbraw/zinc/35/61/41/1060356141.db2.gz FWNUCBYVOLIWBV-UHFFFAOYSA-N 1 0 345.446 4.428 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC000766489104 1060379191 /nfs/dbraw/zinc/37/91/91/1060379191.db2.gz RMTUKBLOAIBGOB-QFBILLFUSA-N 1 0 345.870 4.245 20 30 EIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001168979415 1060549780 /nfs/dbraw/zinc/54/97/80/1060549780.db2.gz DZNNEAXEKGWAMA-DYVFJYSZSA-N 1 0 333.863 4.099 20 30 EIEDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ccccc1CS ZINC001168999181 1060572360 /nfs/dbraw/zinc/57/23/60/1060572360.db2.gz GYOGYCXAESPKCG-UHFFFAOYSA-N 1 0 331.872 4.000 20 30 EIEDRO Cc1cc(C#N)cc(C)c1CN(C)C(C)(C)C[NH+]1CCCCCC1 ZINC001169508068 1060840171 /nfs/dbraw/zinc/84/01/71/1060840171.db2.gz VEUQQGRUWBKPNM-UHFFFAOYSA-N 1 0 327.516 4.262 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169702470 1060911903 /nfs/dbraw/zinc/91/19/03/1060911903.db2.gz FVZNCWJQZATMRF-IBGZPJMESA-N 1 0 330.472 4.076 20 30 EIEDRO C=CC[C@@H]1[N@H+](CCC(=O)Nc2ccc(OCC)cc2)CCCC1(C)C ZINC001169845052 1060997684 /nfs/dbraw/zinc/99/76/84/1060997684.db2.gz RBTGSCVWMNJQPU-IBGZPJMESA-N 1 0 344.499 4.481 20 30 EIEDRO CCCCCCCCCCC[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169858984 1061004248 /nfs/dbraw/zinc/00/42/48/1061004248.db2.gz SBTPHFCVCJETKL-UHFFFAOYSA-N 1 0 331.566 4.463 20 30 EIEDRO C[C@@H]1CN(c2ccccc2F)CCN1CC#Cc1ccc(Cl)cc1 ZINC001169928278 1061035167 /nfs/dbraw/zinc/03/51/67/1061035167.db2.gz LLBHWLGYAJUYEO-MRXNPFEDSA-N 1 0 342.845 4.041 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000136727187 1032062821 /nfs/dbraw/zinc/06/28/21/1032062821.db2.gz HKBKSPNABGROCK-IBGZPJMESA-N 1 0 342.483 4.341 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[NH2+][C@H](c2ccccc2)C2CCC2)cc1 ZINC000532701528 1032076493 /nfs/dbraw/zinc/07/64/93/1032076493.db2.gz CZPXPCFYRQGWMW-OAQYLSRUSA-N 1 0 333.435 4.018 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cc1 ZINC000532227347 1032106362 /nfs/dbraw/zinc/10/63/62/1032106362.db2.gz DOZKGDHDPMOLQZ-KBXCAEBGSA-N 1 0 341.405 4.156 20 30 EIEDRO N#Cc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532243979 1032120104 /nfs/dbraw/zinc/12/01/04/1032120104.db2.gz QSDWFWGEHRNBBH-DHIUTWEWSA-N 1 0 345.490 4.045 20 30 EIEDRO N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000532242535 1032121891 /nfs/dbraw/zinc/12/18/91/1032121891.db2.gz GJBGEFHMOKANTA-DHIUTWEWSA-N 1 0 345.490 4.045 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCCC1 ZINC000105423692 1032181024 /nfs/dbraw/zinc/18/10/24/1032181024.db2.gz NGMSNEMXHJMTQN-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO N#CC1(CCC[NH+]2CCC(Cc3ccccc3F)CC2)CCOCC1 ZINC000282026038 1032189071 /nfs/dbraw/zinc/18/90/71/1032189071.db2.gz PRIZFPISAOFZRC-UHFFFAOYSA-N 1 0 344.474 4.181 20 30 EIEDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C12CCCC2 ZINC000236989136 1032212859 /nfs/dbraw/zinc/21/28/59/1032212859.db2.gz SRPPWKWRFGIMPU-PMACEKPBSA-N 1 0 342.483 4.197 20 30 EIEDRO C=CCC1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCC1 ZINC000450204980 1032345144 /nfs/dbraw/zinc/34/51/44/1032345144.db2.gz XQSIMQTXLKISPW-UHFFFAOYSA-N 1 0 332.532 4.238 20 30 EIEDRO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CC2)OCc2ccccc23)c1 ZINC001168116963 1032381713 /nfs/dbraw/zinc/38/17/13/1032381713.db2.gz XPHLHYRNDAGCAO-UHFFFAOYSA-N 1 0 338.838 4.233 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OCc2nccn2C)cc1 ZINC000532899553 1032389181 /nfs/dbraw/zinc/38/91/81/1032389181.db2.gz KONYIIXTYZSLKZ-UHFFFAOYSA-N 1 0 347.462 4.187 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1sccc1C#N)[C@@H](CC)c1ccccc1 ZINC000532929702 1032394198 /nfs/dbraw/zinc/39/41/98/1032394198.db2.gz PIPHKDVPNPNWAW-KRWDZBQOSA-N 1 0 341.480 4.422 20 30 EIEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cccc(C(F)(F)F)c1 ZINC000585766686 1032398558 /nfs/dbraw/zinc/39/85/58/1032398558.db2.gz DVMDXDQFUCFNGN-LBPRGKRZSA-N 1 0 344.340 4.076 20 30 EIEDRO CCCC[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1 ZINC000532922085 1032403682 /nfs/dbraw/zinc/40/36/82/1032403682.db2.gz KVUWBTYKBUZBPA-HNNXBMFYSA-N 1 0 345.512 4.141 20 30 EIEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CC2(C#N)CCC2)cc1OC ZINC000450341137 1032431346 /nfs/dbraw/zinc/43/13/46/1032431346.db2.gz YYJUSQHFLYCLSV-GOSISDBHSA-N 1 0 342.483 4.185 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000533045516 1032455753 /nfs/dbraw/zinc/45/57/53/1032455753.db2.gz OWIOICYRCLXOSN-NRFANRHFSA-N 1 0 336.435 4.077 20 30 EIEDRO CCCO[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177153012 1032488334 /nfs/dbraw/zinc/48/83/34/1032488334.db2.gz GZMNAFQMQDPPJZ-SFHVURJKSA-N 1 0 339.401 4.338 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000925261343 1032496425 /nfs/dbraw/zinc/49/64/25/1032496425.db2.gz ICMLFMUBHUYJDX-HNNXBMFYSA-N 1 0 345.487 4.494 20 30 EIEDRO N#CC1(c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)CCCC1 ZINC000177726500 1032514057 /nfs/dbraw/zinc/51/40/57/1032514057.db2.gz XHUMUHDWCMQAKN-UHFFFAOYSA-N 1 0 336.439 4.058 20 30 EIEDRO C[C@H](CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000529670838 1032525276 /nfs/dbraw/zinc/52/52/76/1032525276.db2.gz BCSIWMCCHKGFKQ-GOSISDBHSA-N 1 0 334.463 4.347 20 30 EIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc(OCC#N)cc1 ZINC000245900457 1032533684 /nfs/dbraw/zinc/53/36/84/1032533684.db2.gz NUZMHHPOUIIEGT-DQLDELGASA-N 1 0 336.435 4.160 20 30 EIEDRO COCCC[C@H]([NH2+]CCCCC#N)c1ccc(Br)cc1 ZINC000178644015 1032543014 /nfs/dbraw/zinc/54/30/14/1032543014.db2.gz AZVDELRCLAPPKA-INIZCTEOSA-N 1 0 339.277 4.200 20 30 EIEDRO C=CCC1(C(=O)N2CCC(CCC[NH+](CC)CC)CC2)CCCC1 ZINC000450529876 1032547680 /nfs/dbraw/zinc/54/76/80/1032547680.db2.gz WTPWPMGKMBJNCZ-UHFFFAOYSA-N 1 0 334.548 4.484 20 30 EIEDRO CCCC(C#N)(CCC)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000475743798 1032565496 /nfs/dbraw/zinc/56/54/96/1032565496.db2.gz LJXQCRXBKUZOSZ-UHFFFAOYSA-N 1 0 341.499 4.265 20 30 EIEDRO C=C1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533280442 1032619843 /nfs/dbraw/zinc/61/98/43/1032619843.db2.gz ARRUYFWDSOCEGO-UHFFFAOYSA-N 1 0 348.446 4.298 20 30 EIEDRO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)Cc1ccccc1 ZINC000015260108 1032661049 /nfs/dbraw/zinc/66/10/49/1032661049.db2.gz ZDOURMRAQBCCCM-UHFFFAOYSA-N 1 0 349.478 4.072 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1Nc1nc2ncccc2cc1C#N ZINC001211989288 1032673546 /nfs/dbraw/zinc/67/35/46/1032673546.db2.gz MLBRSZLZRWMKOE-UHFFFAOYSA-N 1 0 331.423 4.087 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCOC2)cc1 ZINC000533350156 1032680225 /nfs/dbraw/zinc/68/02/25/1032680225.db2.gz AQWCWUHCRRKPTL-HXUWFJFHSA-N 1 0 338.426 4.126 20 30 EIEDRO N#Cc1ccc(OCCN(Cc2ccco2)Cc2cccs2)cc1 ZINC000015299479 1032737998 /nfs/dbraw/zinc/73/79/98/1032737998.db2.gz XMLYVCUAHNTMCX-UHFFFAOYSA-N 1 0 338.432 4.294 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000455243640 1032768088 /nfs/dbraw/zinc/76/80/88/1032768088.db2.gz JHPPNFRVUXTDPS-KRWDZBQOSA-N 1 0 343.515 4.487 20 30 EIEDRO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000533446299 1032775879 /nfs/dbraw/zinc/77/58/79/1032775879.db2.gz RKSRASLCTZDKHI-KZULUSFZSA-N 1 0 332.806 4.217 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1sccc1Br ZINC000562471352 1018868151 /nfs/dbraw/zinc/86/81/51/1018868151.db2.gz JPJRJXZTIGQOKW-MDZLAQPJSA-N 1 0 330.291 4.142 20 30 EIEDRO N#Cc1csc(CN2CC[C@@H](Sc3cccc(Cl)c3)C2)n1 ZINC000430199343 1019226387 /nfs/dbraw/zinc/22/63/87/1019226387.db2.gz UEVFMNVASQKFJB-CQSZACIVSA-N 1 0 335.885 4.035 20 30 EIEDRO C=CC(C)(C)CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001266291360 1019455019 /nfs/dbraw/zinc/45/50/19/1019455019.db2.gz CWIIPHWUSYYYGW-IEBWSBKVSA-N 1 0 328.500 4.006 20 30 EIEDRO C=CC(C)(C)CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001266291361 1019457965 /nfs/dbraw/zinc/45/79/65/1019457965.db2.gz CWIIPHWUSYYYGW-MJGOQNOKSA-N 1 0 328.500 4.006 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182853034 1019738616 /nfs/dbraw/zinc/73/86/16/1019738616.db2.gz VZFLAUAVHNOAGJ-ROUUACIJSA-N 1 0 335.536 4.027 20 30 EIEDRO COc1ccc(C[N@H+]([C@@H](C)C(C)C)C2CC2)cc1OCCCC#N ZINC000179496677 1019742698 /nfs/dbraw/zinc/74/26/98/1019742698.db2.gz FDBYXCFOIBTBJO-INIZCTEOSA-N 1 0 330.472 4.387 20 30 EIEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000274868923 1019817056 /nfs/dbraw/zinc/81/70/56/1019817056.db2.gz WQIFHUHVVMHLAS-INIZCTEOSA-N 1 0 326.440 4.286 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000165246630 1019998541 /nfs/dbraw/zinc/99/85/41/1019998541.db2.gz SYLQCVUAPTYCHN-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO C=CCCCCC[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC001209432028 1020324910 /nfs/dbraw/zinc/32/49/10/1020324910.db2.gz XQGWZLYBWOPOCZ-UHFFFAOYSA-N 1 0 348.918 4.415 20 30 EIEDRO C#CC[N@@H+](CCOc1ccc(Cl)c(F)c1)[C@H]1CCc2ccccc21 ZINC001167179448 1020490551 /nfs/dbraw/zinc/49/05/51/1020490551.db2.gz ZYNYFPYXBSCXAP-FQEVSTJZSA-N 1 0 343.829 4.481 20 30 EIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)s1 ZINC000261451999 1020566426 /nfs/dbraw/zinc/56/64/26/1020566426.db2.gz DWLHQGQLBKTSAG-KRWDZBQOSA-N 1 0 339.464 4.094 20 30 EIEDRO CC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 ZINC000510252376 1020666112 /nfs/dbraw/zinc/66/61/12/1020666112.db2.gz JIESDWDCBIVVNF-GOSISDBHSA-N 1 0 343.854 4.450 20 30 EIEDRO CCOc1ccc(C[N@H+](CCOc2cccc(C#N)c2)C(C)C)cc1 ZINC001167255871 1020685089 /nfs/dbraw/zinc/68/50/89/1020685089.db2.gz PIAWYJXEBUNAKR-UHFFFAOYSA-N 1 0 338.451 4.246 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+](C)C2CCC(OC)CC2)ccc1OC ZINC000093415210 1020692142 /nfs/dbraw/zinc/69/21/42/1020692142.db2.gz VGIRQIUUQPGNBJ-UHFFFAOYSA-N 1 0 333.472 4.040 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccncc1F ZINC000340298032 1020744369 /nfs/dbraw/zinc/74/43/69/1020744369.db2.gz VQCUCFAZCMKYFY-ODIFPOPNSA-N 1 0 339.414 4.133 20 30 EIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cnn(Cc2ccccc2)c1 ZINC001167273946 1020750642 /nfs/dbraw/zinc/75/06/42/1020750642.db2.gz VWERXMZPAWEUJL-UHFFFAOYSA-N 1 0 331.463 4.162 20 30 EIEDRO COc1ccccc1/C=C/C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000237297764 1020763371 /nfs/dbraw/zinc/76/33/71/1020763371.db2.gz CJQJNDXENAHUNC-VMPITWQZSA-N 1 0 345.364 4.369 20 30 EIEDRO Cc1ccccc1C[N@@H+]1CCCN(c2c(Cl)cccc2C#N)CC1 ZINC000610273263 1020834001 /nfs/dbraw/zinc/83/40/01/1020834001.db2.gz KHXOWNIBCDZLAF-UHFFFAOYSA-N 1 0 339.870 4.232 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000176960634 1020939725 /nfs/dbraw/zinc/93/97/25/1020939725.db2.gz YKFYTEIQOGVJNN-AWEZNQCLSA-N 1 0 345.899 4.198 20 30 EIEDRO N#CC1(CCC[N@H+]2CC[C@H](Cc3cccc(Cl)c3)C2)CCOCC1 ZINC000375621571 1020985191 /nfs/dbraw/zinc/98/51/91/1020985191.db2.gz URHWKXGRTVKBHC-GOSISDBHSA-N 1 0 346.902 4.305 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000069787407 1021024569 /nfs/dbraw/zinc/02/45/69/1021024569.db2.gz BRCJILTXAREEEE-OAHLLOKOSA-N 1 0 327.424 4.119 20 30 EIEDRO COc1cc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)c(F)cn1 ZINC000340444298 1021039394 /nfs/dbraw/zinc/03/93/94/1021039394.db2.gz CNXGRDIRLAGPKO-RDTXWAMCSA-N 1 0 327.403 4.315 20 30 EIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000340446028 1021040955 /nfs/dbraw/zinc/04/09/55/1021040955.db2.gz NDXRQNZYKKGWRL-DYESRHJHSA-N 1 0 349.478 4.474 20 30 EIEDRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610343770 1021335745 /nfs/dbraw/zinc/33/57/45/1021335745.db2.gz RZUVFARIDRABEW-UONOGXRCSA-N 1 0 341.842 4.198 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl)c1cccc(C#N)c1 ZINC000610343475 1021338253 /nfs/dbraw/zinc/33/82/53/1021338253.db2.gz IRNNCZMASILOCU-NEPJUHHUSA-N 1 0 345.805 4.029 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000610345273 1021340753 /nfs/dbraw/zinc/34/07/53/1021340753.db2.gz ZAJUCGYKSZTOLB-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(SC)cc1OC ZINC000610344812 1021343003 /nfs/dbraw/zinc/34/30/03/1021343003.db2.gz IRUMHMMQZBZDAE-ZDUSSCGKSA-N 1 0 342.464 4.148 20 30 EIEDRO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000610343910 1021344243 /nfs/dbraw/zinc/34/42/43/1021344243.db2.gz WHXOEZFVXUJBFK-KBPBESRZSA-N 1 0 341.842 4.198 20 30 EIEDRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610345989 1021349853 /nfs/dbraw/zinc/34/98/53/1021349853.db2.gz GQXBNGGNBMBYJF-CVEARBPZSA-N 1 0 335.451 4.359 20 30 EIEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000782651776 1021438757 /nfs/dbraw/zinc/43/87/57/1021438757.db2.gz BNLCFDAXTAPOLG-ZDUSSCGKSA-N 1 0 334.769 4.309 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926708020 1021457759 /nfs/dbraw/zinc/45/77/59/1021457759.db2.gz WZVAJMOBXANZHG-WBVHZDCISA-N 1 0 349.519 4.084 20 30 EIEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177708085 1021628519 /nfs/dbraw/zinc/62/85/19/1021628519.db2.gz QHGJDNDZLYYSAJ-IEBWSBKVSA-N 1 0 326.465 4.186 20 30 EIEDRO CCc1nc2cc(C[NH2+]Cc3ccc(C#N)c(C)c3)ccc2n1C1CC1 ZINC000548984702 1021686910 /nfs/dbraw/zinc/68/69/10/1021686910.db2.gz QNGUKUIECVDZCM-UHFFFAOYSA-N 1 0 344.462 4.404 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000582479363 1021948707 /nfs/dbraw/zinc/94/87/07/1021948707.db2.gz UZUUAKJKNSNLCL-AEFFLSMTSA-N 1 0 330.353 4.298 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613414588 1021984438 /nfs/dbraw/zinc/98/44/38/1021984438.db2.gz XFBVIKITSDEIGO-SOLBZPMBSA-N 1 0 340.515 4.092 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414165747 1022007658 /nfs/dbraw/zinc/00/76/58/1022007658.db2.gz MRDNYAWCFRFUIE-DOTOQJQBSA-N 1 0 348.462 4.364 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCSCc2ccccc2)cc1 ZINC000728712986 1022010514 /nfs/dbraw/zinc/01/05/14/1022010514.db2.gz HHDUMOOQVIYUFM-MRXNPFEDSA-N 1 0 326.465 4.000 20 30 EIEDRO C=CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC001167406767 1022065549 /nfs/dbraw/zinc/06/55/49/1022065549.db2.gz VSXNIEXHTKYPKH-IRXDYDNUSA-N 1 0 336.479 4.304 20 30 EIEDRO C=CCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549026264 1022090229 /nfs/dbraw/zinc/09/02/29/1022090229.db2.gz CFDBPGKHLQLPCI-IVZBYUQCSA-N 1 0 346.902 4.336 20 30 EIEDRO CC(C)C[C@@H](CCO)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271079164 1022117026 /nfs/dbraw/zinc/11/70/26/1022117026.db2.gz QAXMMVNWHHDYRS-KMFTYDHNSA-N 1 0 328.500 4.025 20 30 EIEDRO C=CCN(CCc1ccccc1)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415963679 1022306724 /nfs/dbraw/zinc/30/67/24/1022306724.db2.gz YMINUUOMIBYHQU-UHFFFAOYSA-N 1 0 337.467 4.059 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000171246153 1022436666 /nfs/dbraw/zinc/43/66/66/1022436666.db2.gz ONLIMUIXLHEJSO-UHFFFAOYSA-N 1 0 346.377 4.260 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000414303904 1022455482 /nfs/dbraw/zinc/45/54/82/1022455482.db2.gz OEYKQQSBAPVBSH-JOCHJYFZSA-N 1 0 345.490 4.304 20 30 EIEDRO N#Cc1ccc(CN2CCC[C@@H]2c2ccc(Br)cc2)nc1 ZINC000579849510 1022476768 /nfs/dbraw/zinc/47/67/68/1022476768.db2.gz ZLZPJNOCOONMQJ-QGZVFWFLSA-N 1 0 342.240 4.053 20 30 EIEDRO COc1ccsc1[C@@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000471620524 1022556764 /nfs/dbraw/zinc/55/67/64/1022556764.db2.gz SNAAKKKDZBHCMD-GFCCVEGCSA-N 1 0 339.382 4.478 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000378245802 1022568157 /nfs/dbraw/zinc/56/81/57/1022568157.db2.gz DWDSTNLLPABVDM-RTBURBONSA-N 1 0 349.478 4.156 20 30 EIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000177858874 1022718210 /nfs/dbraw/zinc/71/82/10/1022718210.db2.gz IVGDVSCIELWULG-GOSISDBHSA-N 1 0 327.359 4.237 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(-c2cncnc2)cc1 ZINC000378449568 1022826419 /nfs/dbraw/zinc/82/64/19/1022826419.db2.gz GEVRDJLXGGICCM-HZPDHXFCSA-N 1 0 328.419 4.427 20 30 EIEDRO Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000378459397 1022830076 /nfs/dbraw/zinc/83/00/76/1022830076.db2.gz ZIJPHKLXIJIIRL-HPBDAGMYSA-N 1 0 342.414 4.210 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCCCC[C@H]1CC(C)C ZINC001167447061 1022838556 /nfs/dbraw/zinc/83/85/56/1022838556.db2.gz GZXXHDJQNSTOJL-SFHVURJKSA-N 1 0 330.472 4.236 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNc1c(C#N)nnc2ccccc21)c1ccccc1 ZINC000077217160 1022840210 /nfs/dbraw/zinc/84/02/10/1022840210.db2.gz RHDHLQFCGRKPIK-OAHLLOKOSA-N 1 0 345.450 4.043 20 30 EIEDRO Cc1ccc(NC(=[NH2+])NCc2cccc(-c3ccccn3)c2)cc1C ZINC000160790239 1022861487 /nfs/dbraw/zinc/86/14/87/1022861487.db2.gz WUZMCNYHRVVBMI-UHFFFAOYSA-N 1 0 330.435 4.292 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000181604489 1022862207 /nfs/dbraw/zinc/86/22/07/1022862207.db2.gz DCGUTGIHZNRSTJ-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1 ZINC000181214627 1022898036 /nfs/dbraw/zinc/89/80/36/1022898036.db2.gz WAXUWWGFPPSTGI-GFCCVEGCSA-N 1 0 338.760 4.456 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+]C1(c3cccc(C#N)c3)CC1)CCS2 ZINC000276082338 1022913000 /nfs/dbraw/zinc/91/30/00/1022913000.db2.gz BOXWAYZYIQTVFL-GOSISDBHSA-N 1 0 336.460 4.383 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OC)c(F)c2)cc1 ZINC000162278535 1022973246 /nfs/dbraw/zinc/97/32/46/1022973246.db2.gz DEIGHYAJHUXESQ-HUUCEWRRSA-N 1 0 327.399 4.258 20 30 EIEDRO CC(C)(C#N)CCCCN1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376548299 1022974424 /nfs/dbraw/zinc/97/44/24/1022974424.db2.gz WVFHCVOJZHNUJN-JKSUJKDBSA-N 1 0 346.475 4.168 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1OCC ZINC000181386542 1023016772 /nfs/dbraw/zinc/01/67/72/1023016772.db2.gz XPWATHJLCIGIJZ-AWEZNQCLSA-N 1 0 342.414 4.346 20 30 EIEDRO C[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)COCc1ccccc1 ZINC000181606773 1023243768 /nfs/dbraw/zinc/24/37/68/1023243768.db2.gz YJQQRAXANSOMGC-QZTJIDSGSA-N 1 0 338.451 4.092 20 30 EIEDRO C#CCC1([NH2+][C@@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CCC1 ZINC000933293380 1023272629 /nfs/dbraw/zinc/27/26/29/1023272629.db2.gz KCKZTDQJBCCAJS-HNNXBMFYSA-N 1 0 331.419 4.486 20 30 EIEDRO C=CCc1cc(C[NH2+]CC(C)(C)c2ccccc2)cc(OC)c1O ZINC000500267040 1023284828 /nfs/dbraw/zinc/28/48/28/1023284828.db2.gz NURAQPBWWAFYQJ-UHFFFAOYSA-N 1 0 325.452 4.197 20 30 EIEDRO CCCOc1cccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)c1 ZINC000073012033 1023318145 /nfs/dbraw/zinc/31/81/45/1023318145.db2.gz NBYYTJQSEBCQPM-IBGZPJMESA-N 1 0 338.451 4.446 20 30 EIEDRO N#CCSCCC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000376831843 1023320382 /nfs/dbraw/zinc/32/03/82/1023320382.db2.gz BLYVPOXYFOKKOC-UHFFFAOYSA-N 1 0 331.460 4.133 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1F ZINC000613618273 1023338154 /nfs/dbraw/zinc/33/81/54/1023338154.db2.gz CCIBNSAWLDUDEX-LSDHHAIUSA-N 1 0 326.415 4.235 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](CO)c3ccccc32)cc1Cl ZINC000376956938 1023341811 /nfs/dbraw/zinc/34/18/11/1023341811.db2.gz HYFOUEICDGZLMB-DNVCBOLYSA-N 1 0 343.854 4.215 20 30 EIEDRO C=CCOc1cccc(CN2CCC[C@@H]2c2nc3ccccc3n2C)c1 ZINC000510432928 1023370222 /nfs/dbraw/zinc/37/02/22/1023370222.db2.gz ZUSJTXZKBDSDMU-OAQYLSRUSA-N 1 0 347.462 4.475 20 30 EIEDRO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1Cl ZINC000377145020 1023383045 /nfs/dbraw/zinc/38/30/45/1023383045.db2.gz OPTJIZSJCIVKQE-CQSZACIVSA-N 1 0 336.838 4.322 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)c1 ZINC000415025317 1023397541 /nfs/dbraw/zinc/39/75/41/1023397541.db2.gz PTHUGHQGMWMNTR-LJQANCHMSA-N 1 0 338.451 4.226 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N(CCCCCC)Cc2ccco2)CC1 ZINC000892857686 1023455112 /nfs/dbraw/zinc/45/51/12/1023455112.db2.gz GHWUANMAMKSUGA-UHFFFAOYSA-N 1 0 347.503 4.022 20 30 EIEDRO CC[N@H+](CCCOc1cccc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000477136677 1023458055 /nfs/dbraw/zinc/45/80/55/1023458055.db2.gz LNTXRCPJCDSESO-KRWDZBQOSA-N 1 0 333.435 4.282 20 30 EIEDRO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132722 1023471705 /nfs/dbraw/zinc/47/17/05/1023471705.db2.gz MKFJUBSZVOMJQN-WIYYLYMNSA-N 1 0 338.426 4.297 20 30 EIEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H](C)C1CCC1 ZINC000925636904 1023475432 /nfs/dbraw/zinc/47/54/32/1023475432.db2.gz VZQAVOCFEKQSCV-HOTGVXAUSA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H](c1ccccc1)N(C)C ZINC000613664922 1023475627 /nfs/dbraw/zinc/47/56/27/1023475627.db2.gz XBJKMQWKEBKIIH-USCONSEESA-N 1 0 333.479 4.217 20 30 EIEDRO C#Cc1ccc(NC(=O)N(C)CCCC[NH+]2CCCCC2)c(Cl)c1 ZINC000933350216 1023498693 /nfs/dbraw/zinc/49/86/93/1023498693.db2.gz QVEYBRNKNUVKQK-UHFFFAOYSA-N 1 0 347.890 4.051 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNc1snc(Cl)c1C#N)c1ccccc1 ZINC000092649864 1023508736 /nfs/dbraw/zinc/50/87/36/1023508736.db2.gz KBSYXVUTPWWJTB-NSHDSACASA-N 1 0 334.876 4.209 20 30 EIEDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CC3 ZINC000123139734 1023544939 /nfs/dbraw/zinc/54/49/39/1023544939.db2.gz XLPCQWQICPSJER-PBHICJAKSA-N 1 0 345.446 4.256 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(-c2cccs2)n1 ZINC000418151468 1023567117 /nfs/dbraw/zinc/56/71/17/1023567117.db2.gz XIGZGGCMHCEJTR-SFHVURJKSA-N 1 0 348.475 4.187 20 30 EIEDRO Cc1c(NC(=O)C2CC[NH+](C3CC3)CC2)onc1C1CCCCC1 ZINC000330137867 1023660232 /nfs/dbraw/zinc/66/02/32/1023660232.db2.gz OAWNCLHJVNHGNK-UHFFFAOYSA-N 1 0 331.460 4.493 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000415575139 1023698913 /nfs/dbraw/zinc/69/89/13/1023698913.db2.gz DWXMOYDHXFCENV-UHFFFAOYSA-N 1 0 349.478 4.463 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000415585135 1023711239 /nfs/dbraw/zinc/71/12/39/1023711239.db2.gz UMUDAJMZLWDQGQ-SJLPKXTDSA-N 1 0 329.488 4.178 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)Cc2ccccc2Cl)cc1 ZINC000728712028 1023761611 /nfs/dbraw/zinc/76/16/11/1023761611.db2.gz SVOADTDGOOGWPD-HUUCEWRRSA-N 1 0 328.843 4.352 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cc3c(s2)CCCC3)cc1 ZINC000728711995 1023761930 /nfs/dbraw/zinc/76/19/30/1023761930.db2.gz RFMCUVXATWXQKZ-AWEZNQCLSA-N 1 0 326.465 4.208 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)cc1 ZINC000728713159 1023762744 /nfs/dbraw/zinc/76/27/44/1023762744.db2.gz PSTLTZMZTAGFAS-KBPBESRZSA-N 1 0 346.377 4.430 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)cc1 ZINC000728713160 1023763311 /nfs/dbraw/zinc/76/33/11/1023763311.db2.gz PSTLTZMZTAGFAS-KGLIPLIRSA-N 1 0 346.377 4.430 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1cccc(C#N)c1 ZINC000178176351 1023780209 /nfs/dbraw/zinc/78/02/09/1023780209.db2.gz MOFNZWNQVOLWKN-LSDHHAIUSA-N 1 0 348.450 4.254 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(C#N)c1 ZINC000178177924 1023780952 /nfs/dbraw/zinc/78/09/52/1023780952.db2.gz WGBXYXVSHRPQFY-HOTGVXAUSA-N 1 0 333.435 4.097 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)cc1OC ZINC000500419672 1023814770 /nfs/dbraw/zinc/81/47/70/1023814770.db2.gz CCJAQVTUZDEUNS-OAHLLOKOSA-N 1 0 325.399 4.175 20 30 EIEDRO C=CCC(CC=C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000121537161 1023879135 /nfs/dbraw/zinc/87/91/35/1023879135.db2.gz RWRIARUSRUVGRO-UHFFFAOYSA-N 1 0 326.484 4.057 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511805572 1023895152 /nfs/dbraw/zinc/89/51/52/1023895152.db2.gz GQTSWIDDVHCINO-YESZJQIVSA-N 1 0 327.390 4.258 20 30 EIEDRO C#Cc1ccc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cn1 ZINC000728806894 1023903042 /nfs/dbraw/zinc/90/30/42/1023903042.db2.gz QSBRBCCLSIHZJU-UHFFFAOYSA-N 1 0 347.462 4.080 20 30 EIEDRO C#CCC[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000276733941 1023921059 /nfs/dbraw/zinc/92/10/59/1023921059.db2.gz DXQJOAXFRYDWOJ-UHFFFAOYSA-N 1 0 326.465 4.021 20 30 EIEDRO Cc1noc(CCC[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000543872277 1023949457 /nfs/dbraw/zinc/94/94/57/1023949457.db2.gz PAIZLGPCULRFON-HNNXBMFYSA-N 1 0 346.434 4.200 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000651740037 1023963028 /nfs/dbraw/zinc/96/30/28/1023963028.db2.gz OEZYPYLFYTYMNQ-YLJYHZDGSA-N 1 0 329.484 4.217 20 30 EIEDRO Cc1cc(F)ncc1CN1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000891770402 1023966410 /nfs/dbraw/zinc/96/64/10/1023966410.db2.gz JAUCLUGCOZWEJT-PHIMTYICSA-N 1 0 344.274 4.092 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](c2nc(-c3cccnc3)no2)C(C)C)C1 ZINC000651751709 1023980562 /nfs/dbraw/zinc/98/05/62/1023980562.db2.gz FFHPNHCJKVTXRT-HYVNUMGLSA-N 1 0 326.444 4.163 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000181705749 1024010388 /nfs/dbraw/zinc/01/03/88/1024010388.db2.gz QKYCCDMABOPXBI-KSSFIOAISA-N 1 0 339.439 4.144 20 30 EIEDRO C=CC[C@@]1(C(=O)Nc2ccccc2NCc2ccccc2C)CCC[NH2+]1 ZINC000662798662 1024059952 /nfs/dbraw/zinc/05/99/52/1024059952.db2.gz HCDJALRDGVWLCV-QFIPXVFZSA-N 1 0 349.478 4.244 20 30 EIEDRO C=CC[C@H]1CC[C@@H](Nc2ccccc2C[NH+]2CCC(CO)CC2)C1 ZINC000651656455 1024095258 /nfs/dbraw/zinc/09/52/58/1024095258.db2.gz DHKYNKQEIRPJAN-FXAWDEMLSA-N 1 0 328.500 4.048 20 30 EIEDRO Fc1ccc(OC(F)(F)F)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001143544780 1033182069 /nfs/dbraw/zinc/18/20/69/1033182069.db2.gz JMVCBVHFHXWERQ-SECBINFHSA-N 1 0 331.231 4.109 20 30 EIEDRO C=CCC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000341647627 1024112527 /nfs/dbraw/zinc/11/25/27/1024112527.db2.gz VZRFFFUQZPQJOE-MJGOQNOKSA-N 1 0 344.499 4.083 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)cc1Cl ZINC000510675859 1024214244 /nfs/dbraw/zinc/21/42/44/1024214244.db2.gz SYDUJUQJAVGPBX-MRXNPFEDSA-N 1 0 345.874 4.018 20 30 EIEDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000510685417 1024230404 /nfs/dbraw/zinc/23/04/04/1024230404.db2.gz SSIMLWRAOZMDAB-FGZHOGPDSA-N 1 0 334.463 4.351 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(COc2ccc(F)cc2)no1 ZINC000661120047 1024244345 /nfs/dbraw/zinc/24/43/45/1024244345.db2.gz ZFXPJTUTHQMCPA-PBHICJAKSA-N 1 0 345.418 4.012 20 30 EIEDRO CC(C)(C)c1nc(CN[C@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000341695063 1024327504 /nfs/dbraw/zinc/32/75/04/1024327504.db2.gz BMLCUCFYXZPDTL-KRWDZBQOSA-N 1 0 325.481 4.479 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000487359094 1024328210 /nfs/dbraw/zinc/32/82/10/1024328210.db2.gz DIUTWDXOHGJCFQ-WSTZPKSXSA-N 1 0 339.527 4.325 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1 ZINC000341699160 1024348284 /nfs/dbraw/zinc/34/82/84/1024348284.db2.gz QZULDEUFIVPASX-KSFYIVLOSA-N 1 0 342.446 4.472 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000341706049 1024366208 /nfs/dbraw/zinc/36/62/08/1024366208.db2.gz GCWBURPBKXDDKB-SFHVURJKSA-N 1 0 334.891 4.184 20 30 EIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341757422 1024602040 /nfs/dbraw/zinc/60/20/40/1024602040.db2.gz JCHGAGGBDAOWFH-LHSJRXKWSA-N 1 0 333.435 4.245 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000341758517 1024617745 /nfs/dbraw/zinc/61/77/45/1024617745.db2.gz QMUVNRNKKRTLOP-VLIAUNLRSA-N 1 0 336.435 4.304 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@]4(C3)CCC[N@H+](C)C4)c2c1 ZINC000549576759 1024653295 /nfs/dbraw/zinc/65/32/95/1024653295.db2.gz YDUZKZNAKARGSO-JOCHJYFZSA-N 1 0 348.494 4.152 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc4scnc4c3)CC2)cc1 ZINC000190696009 1024674004 /nfs/dbraw/zinc/67/40/04/1024674004.db2.gz MQWVDFXSXCKQMU-UHFFFAOYSA-N 1 0 348.475 4.244 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCC(F)(F)C3)c2)c1 ZINC000610787779 1024852786 /nfs/dbraw/zinc/85/27/86/1024852786.db2.gz ONISSAIGKBKBFM-SFHVURJKSA-N 1 0 342.389 4.415 20 30 EIEDRO N#CC1(F)CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000510946967 1024863926 /nfs/dbraw/zinc/86/39/26/1024863926.db2.gz BVTNLFBNGRSZTB-UHFFFAOYSA-N 1 0 344.352 4.192 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)CCCCC1 ZINC000599609172 1024890867 /nfs/dbraw/zinc/89/08/67/1024890867.db2.gz HONXSWNAVVHCSG-UHFFFAOYSA-N 1 0 331.485 4.044 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000093872139 1024897717 /nfs/dbraw/zinc/89/77/17/1024897717.db2.gz HKPMGFFTYMDGQT-FGZHOGPDSA-N 1 0 342.446 4.144 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000093872140 1024899863 /nfs/dbraw/zinc/89/98/63/1024899863.db2.gz HKPMGFFTYMDGQT-FCHUYYIVSA-N 1 0 342.446 4.144 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N(CC(F)(F)F)C(C)C)c1ccccc1 ZINC000341930374 1024999025 /nfs/dbraw/zinc/99/90/25/1024999025.db2.gz LOUGVRNCBZLBGB-MRXNPFEDSA-N 1 0 342.405 4.083 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000610812695 1025004340 /nfs/dbraw/zinc/00/43/40/1025004340.db2.gz JQBPOBKVXKMCEJ-QGZVFWFLSA-N 1 0 340.298 4.412 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000481378604 1025006776 /nfs/dbraw/zinc/00/67/76/1025006776.db2.gz LDLRRYXSZYUIGP-BFUOFWGJSA-N 1 0 344.842 4.086 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(-c2cccs2)cc1 ZINC000610812839 1025021070 /nfs/dbraw/zinc/02/10/70/1025021070.db2.gz NCUQESYNOZXKBQ-OAHLLOKOSA-N 1 0 325.481 4.054 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(SC2CCCC2)cc1 ZINC000610813678 1025021969 /nfs/dbraw/zinc/02/19/69/1025021969.db2.gz PGBATOBPGWWGFH-MRXNPFEDSA-N 1 0 343.540 4.360 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)cc1OC ZINC000610859123 1025072855 /nfs/dbraw/zinc/07/28/55/1025072855.db2.gz CFVVAKFUGNLLKA-UHFFFAOYSA-N 1 0 338.451 4.137 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000535848253 1025117986 /nfs/dbraw/zinc/11/79/86/1025117986.db2.gz MJBSYFXOPZCLIN-QFIPXVFZSA-N 1 0 348.490 4.261 20 30 EIEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000221939090 1025149434 /nfs/dbraw/zinc/14/94/34/1025149434.db2.gz YECFYCFZWONPQV-NSHDSACASA-N 1 0 330.291 4.028 20 30 EIEDRO COCC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)C ZINC000510992191 1025210275 /nfs/dbraw/zinc/21/02/75/1025210275.db2.gz BZHHOCOCHWXCER-SCCNAQOGSA-N 1 0 328.500 4.431 20 30 EIEDRO C=C(C)CN(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000181509330 1025225471 /nfs/dbraw/zinc/22/54/71/1025225471.db2.gz RVCNQEQWYZELAS-UHFFFAOYSA-N 1 0 329.488 4.491 20 30 EIEDRO N#Cc1cc(CN2Cc3ccccc3C[C@@H]2c2ccccc2)ccn1 ZINC000610994017 1025240944 /nfs/dbraw/zinc/24/09/44/1025240944.db2.gz RFFYABBUQRMWAQ-JOCHJYFZSA-N 1 0 325.415 4.253 20 30 EIEDRO CCCCCCCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000105313998 1025319702 /nfs/dbraw/zinc/31/97/02/1025319702.db2.gz HMEWXKSZGMUXON-UHFFFAOYSA-N 1 0 330.516 4.436 20 30 EIEDRO C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]C[C@H](C)C#N ZINC000548523524 1025350283 /nfs/dbraw/zinc/35/02/83/1025350283.db2.gz YIXRMCWZYFMBDN-CHWSQXEVSA-N 1 0 347.256 4.119 20 30 EIEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611559858 1025372788 /nfs/dbraw/zinc/37/27/88/1025372788.db2.gz CIUQLDCREVZDQL-ZDUSSCGKSA-N 1 0 332.425 4.177 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000538407441 1025390269 /nfs/dbraw/zinc/39/02/69/1025390269.db2.gz BEDUGYRRSCMFAP-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO Cc1ccc(C(C)(C)C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC001167503546 1025459670 /nfs/dbraw/zinc/45/96/70/1025459670.db2.gz BDTMOTARWAHMKO-UHFFFAOYSA-N 1 0 349.478 4.105 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000440068650 1025585398 /nfs/dbraw/zinc/58/53/98/1025585398.db2.gz DJZAYQQNIGGWQN-HLIPFELVSA-N 1 0 330.903 4.029 20 30 EIEDRO C[C@@H](c1c(F)cccc1F)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000519202248 1025597567 /nfs/dbraw/zinc/59/75/67/1025597567.db2.gz HZCMMOUDUNWDRV-AWEZNQCLSA-N 1 0 342.389 4.441 20 30 EIEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926351666 1025794119 /nfs/dbraw/zinc/79/41/19/1025794119.db2.gz RPSNXTFWWQDPLM-IRXDYDNUSA-N 1 0 349.519 4.250 20 30 EIEDRO CCCC[N@H+](C)CC1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000585718052 1025800086 /nfs/dbraw/zinc/80/00/86/1025800086.db2.gz AYHMJZQPHLODRQ-LJQANCHMSA-N 1 0 333.907 4.349 20 30 EIEDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000539087712 1025803731 /nfs/dbraw/zinc/80/37/31/1025803731.db2.gz KTIJGTZNFDKNNS-AWEZNQCLSA-N 1 0 346.377 4.198 20 30 EIEDRO CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001167836216 1025846338 /nfs/dbraw/zinc/84/63/38/1025846338.db2.gz XRSULSZZVLQQLS-SFHVURJKSA-N 1 0 345.506 4.193 20 30 EIEDRO CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001167836215 1025846658 /nfs/dbraw/zinc/84/66/58/1025846658.db2.gz XRSULSZZVLQQLS-GOSISDBHSA-N 1 0 345.506 4.193 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2OC(F)F)C1 ZINC000472135131 1025924890 /nfs/dbraw/zinc/92/48/90/1025924890.db2.gz VBVBOGOOQWHQPG-KWQFWETISA-N 1 0 335.181 4.377 20 30 EIEDRO C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000549625999 1026013274 /nfs/dbraw/zinc/01/32/74/1026013274.db2.gz PYJLOSOXKMYUGW-ORAYPTAESA-N 1 0 345.849 4.304 20 30 EIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000550075179 1026014634 /nfs/dbraw/zinc/01/46/34/1026014634.db2.gz QJCDMOLXTREBKO-HNNXBMFYSA-N 1 0 336.277 4.311 20 30 EIEDRO CCCCOc1ccc(C[NH+]2CCC(CCC#N)CC2)cc1OC ZINC000582063574 1026051131 /nfs/dbraw/zinc/05/11/31/1026051131.db2.gz ZUECNRATZUWURC-UHFFFAOYSA-N 1 0 330.472 4.390 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000370833193 1026116548 /nfs/dbraw/zinc/11/65/48/1026116548.db2.gz LCVICMMYPDEBCJ-NRFANRHFSA-N 1 0 335.451 4.373 20 30 EIEDRO Cc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(C)s1 ZINC000539528183 1026120612 /nfs/dbraw/zinc/12/06/12/1026120612.db2.gz HMBBJHALUIMSJB-UHFFFAOYSA-N 1 0 341.480 4.111 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)c(F)c1 ZINC000539608687 1026157871 /nfs/dbraw/zinc/15/78/71/1026157871.db2.gz ZDRGXNZDHHYHDF-KDOFPFPSSA-N 1 0 341.405 4.156 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C ZINC000512154748 1026164749 /nfs/dbraw/zinc/16/47/49/1026164749.db2.gz OZSGYLRAOCENLY-HOTGVXAUSA-N 1 0 345.512 4.141 20 30 EIEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551529742 1026208654 /nfs/dbraw/zinc/20/86/54/1026208654.db2.gz HOLYCORWGHGWOC-FQEVSTJZSA-N 1 0 332.451 4.391 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2)ccc1C#N ZINC000234949778 1026215178 /nfs/dbraw/zinc/21/51/78/1026215178.db2.gz OSVHPODWHSIRSX-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO N#Cc1c(Cl)nsc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000051455336 1026217752 /nfs/dbraw/zinc/21/77/52/1026217752.db2.gz LKXMZFCVCXEAEM-UHFFFAOYSA-N 1 0 346.887 4.266 20 30 EIEDRO C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551565389 1026219622 /nfs/dbraw/zinc/21/96/22/1026219622.db2.gz VDFUHMPIYCOZPU-HNNXBMFYSA-N 1 0 330.435 4.035 20 30 EIEDRO COc1cc(C[NH2+]Cc2cc(C)c(C)cc2OC(F)F)ccc1C#N ZINC000571571093 1026221116 /nfs/dbraw/zinc/22/11/16/1026221116.db2.gz HQAOTKIJRJWVTN-UHFFFAOYSA-N 1 0 346.377 4.075 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000684767926 1026226011 /nfs/dbraw/zinc/22/60/11/1026226011.db2.gz VAEWXXLOPDXTLV-NHYWBVRUSA-N 1 0 331.790 4.012 20 30 EIEDRO CC(C)Sc1cc(Br)ccc1C[NH2+]CCCC#N ZINC000344304510 1026233497 /nfs/dbraw/zinc/23/34/97/1026233497.db2.gz NOEROIKSJUTDEO-UHFFFAOYSA-N 1 0 327.291 4.343 20 30 EIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2cc3c(cccc3O)s2)CC1 ZINC000894664498 1026300334 /nfs/dbraw/zinc/30/03/34/1026300334.db2.gz HRYLTIZCZABZRH-UHFFFAOYSA-N 1 0 349.459 4.059 20 30 EIEDRO CC(C)c1nc(CC[NH2+]Cc2cccc(OCCCC#N)c2)cs1 ZINC000236839808 1026319678 /nfs/dbraw/zinc/31/96/78/1026319678.db2.gz ZYTVAGGQJOOGAI-UHFFFAOYSA-N 1 0 343.496 4.281 20 30 EIEDRO N#CCCn1cc(C[NH2+]C2CCC3(CC3)CC2)c(-c2ccccc2)n1 ZINC000277513388 1026326771 /nfs/dbraw/zinc/32/67/71/1026326771.db2.gz RHVGRCUIRYKWLF-UHFFFAOYSA-N 1 0 334.467 4.276 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000582259532 1026381868 /nfs/dbraw/zinc/38/18/68/1026381868.db2.gz RQEQTPJRVZOOAD-INIZCTEOSA-N 1 0 329.488 4.447 20 30 EIEDRO COc1ccc(C[N@@H+]2CCSC(C)(C)CC2)cc1OCCCC#N ZINC000279337664 1026382615 /nfs/dbraw/zinc/38/26/15/1026382615.db2.gz DUULOPCDSLECDZ-UHFFFAOYSA-N 1 0 348.512 4.095 20 30 EIEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000512198494 1026417735 /nfs/dbraw/zinc/41/77/35/1026417735.db2.gz SYDIRWPCKZZTJS-XMSQKQJNSA-N 1 0 345.490 4.284 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1[N+](=O)[O-] ZINC000540707553 1026460680 /nfs/dbraw/zinc/46/06/80/1026460680.db2.gz IJRLDPQWCICWDA-QWHCGFSZSA-N 1 0 327.359 4.326 20 30 EIEDRO C=CCC(C)(C)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000432559008 1026525392 /nfs/dbraw/zinc/52/53/92/1026525392.db2.gz QFSMGPPHUKJZTF-NVXWUHKLSA-N 1 0 349.544 4.033 20 30 EIEDRO C=CC(C)(C)CC(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000888937774 1026548601 /nfs/dbraw/zinc/54/86/01/1026548601.db2.gz VJVIPURFUTYCIH-UHFFFAOYSA-N 1 0 346.540 4.438 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccnc(Oc3ccccc3F)c2)C1 ZINC000279619354 1026550122 /nfs/dbraw/zinc/55/01/22/1026550122.db2.gz YDVXDMJKZAJZES-GDBMZVCRSA-N 1 0 325.387 4.185 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512245170 1026572574 /nfs/dbraw/zinc/57/25/74/1026572574.db2.gz QAGZEZASGDWXTN-WMZHIEFXSA-N 1 0 345.490 4.217 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c(F)c1 ZINC000107897359 1026596022 /nfs/dbraw/zinc/59/60/22/1026596022.db2.gz CZSPLPXWFDFFQK-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO C=CCC(C)(C)c1noc(-c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000560021439 1026625242 /nfs/dbraw/zinc/62/52/42/1026625242.db2.gz AKYJKJAVLYNPKC-UHFFFAOYSA-N 1 0 343.496 4.139 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000582436384 1026629161 /nfs/dbraw/zinc/62/91/61/1026629161.db2.gz NZHWQOMARQQFCV-DUXKGJEZSA-N 1 0 338.426 4.138 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000582436385 1026629978 /nfs/dbraw/zinc/62/99/78/1026629978.db2.gz NZHWQOMARQQFCV-DZFGPLHGSA-N 1 0 338.426 4.138 20 30 EIEDRO COc1ccccc1[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426995153 1026664562 /nfs/dbraw/zinc/66/45/62/1026664562.db2.gz NBSZAXMWNRSBHU-QGZVFWFLSA-N 1 0 325.839 4.190 20 30 EIEDRO COc1ccccc1[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426995152 1026665300 /nfs/dbraw/zinc/66/53/00/1026665300.db2.gz NBSZAXMWNRSBHU-KRWDZBQOSA-N 1 0 325.839 4.190 20 30 EIEDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000427002190 1026674550 /nfs/dbraw/zinc/67/45/50/1026674550.db2.gz NJPXRSPYLTWJRB-YPMHNXCESA-N 1 0 333.501 4.074 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000427004849 1026676173 /nfs/dbraw/zinc/67/61/73/1026676173.db2.gz LWIOIOYABFWIQJ-QKLQHJQFSA-N 1 0 330.903 4.029 20 30 EIEDRO C=CCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1Cl ZINC000507187551 1026682450 /nfs/dbraw/zinc/68/24/50/1026682450.db2.gz CKEPCCHKFBWMOH-UHFFFAOYSA-N 1 0 326.827 4.408 20 30 EIEDRO CC(C)N(Cc1cnc([C@H]2CCCO2)s1)Cc1ccc(C#N)cc1 ZINC000507173091 1026683950 /nfs/dbraw/zinc/68/39/50/1026683950.db2.gz KKDKCRCMLCELJD-GOSISDBHSA-N 1 0 341.480 4.277 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000277655472 1026727915 /nfs/dbraw/zinc/72/79/15/1026727915.db2.gz IORDIUHESASCAA-RTBURBONSA-N 1 0 332.463 4.434 20 30 EIEDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000279864209 1026736739 /nfs/dbraw/zinc/73/67/39/1026736739.db2.gz SRANJVLGDSXAJI-UHFFFAOYSA-N 1 0 330.435 4.054 20 30 EIEDRO CC(C)[C@@H](C#N)c1ccc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc1 ZINC001167985590 1026775749 /nfs/dbraw/zinc/77/57/49/1026775749.db2.gz HVOCIPJIQULFRI-HXUWFJFHSA-N 1 0 333.435 4.100 20 30 EIEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000342637887 1026776520 /nfs/dbraw/zinc/77/65/20/1026776520.db2.gz RHBCWPXGOUZPHG-RXVVDRJESA-N 1 0 336.479 4.031 20 30 EIEDRO CCc1cccnc1[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000507516276 1026816519 /nfs/dbraw/zinc/81/65/19/1026816519.db2.gz XDEBQNHELFFFBA-HNNXBMFYSA-N 1 0 325.481 4.100 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000507629302 1026859427 /nfs/dbraw/zinc/85/94/27/1026859427.db2.gz ITZRUAOWNZKWEY-UHFFFAOYSA-N 1 0 326.390 4.459 20 30 EIEDRO CC1(C)CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000342725738 1026898207 /nfs/dbraw/zinc/89/82/07/1026898207.db2.gz IIJSFJZPCXOUFQ-LJQANCHMSA-N 1 0 330.435 4.108 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)ccc1C#N ZINC000519675108 1026942433 /nfs/dbraw/zinc/94/24/33/1026942433.db2.gz XERXJEMNTHLFGR-GOSISDBHSA-N 1 0 326.827 4.387 20 30 EIEDRO CC(C)Oc1cc(C[N@H+](Cc2ccc(CC#N)cc2)C2CC2)ccn1 ZINC000342753840 1026954664 /nfs/dbraw/zinc/95/46/64/1026954664.db2.gz QQPVDWSTENQLGW-UHFFFAOYSA-N 1 0 335.451 4.099 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415579544 1026992919 /nfs/dbraw/zinc/99/29/19/1026992919.db2.gz KIMODTNSGOANAG-MRXNPFEDSA-N 1 0 329.488 4.131 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000342797970 1027041068 /nfs/dbraw/zinc/04/10/68/1027041068.db2.gz SWEOLZPYJKGIFY-PXNSSMCTSA-N 1 0 343.492 4.146 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143446860 1027098567 /nfs/dbraw/zinc/09/85/67/1027098567.db2.gz IPLMMUNTLOGWSE-UHFFFAOYSA-N 1 0 338.304 4.228 20 30 EIEDRO C[C@@H](Cc1cccs1)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC001167608066 1027099046 /nfs/dbraw/zinc/09/90/46/1027099046.db2.gz IQFRDMMBBKAHMP-LBPRGKRZSA-N 1 0 349.297 4.445 20 30 EIEDRO C=CCn1c(SCC[NH+](C)C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000685016115 1027129577 /nfs/dbraw/zinc/12/95/77/1027129577.db2.gz JRCZWEKPMIXKDD-UHFFFAOYSA-N 1 0 344.528 4.082 20 30 EIEDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000441111264 1027283705 /nfs/dbraw/zinc/28/37/05/1027283705.db2.gz JBNKIMCPBVFLQU-FQEVSTJZSA-N 1 0 336.479 4.261 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)cc1OCC ZINC000342859871 1027324576 /nfs/dbraw/zinc/32/45/76/1027324576.db2.gz IDRVWSCSWWBCCC-CYBMUJFWSA-N 1 0 330.453 4.268 20 30 EIEDRO C=CCC1([NH2+]Cc2csc(-c3ccc(OC)cc3)n2)CCOCC1 ZINC000657633216 1027346663 /nfs/dbraw/zinc/34/66/63/1027346663.db2.gz RWMDCMRLTYJSAT-UHFFFAOYSA-N 1 0 344.480 4.034 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CCOCC1 ZINC000657632963 1027347577 /nfs/dbraw/zinc/34/75/77/1027347577.db2.gz FJUJCCYYTRKPIU-UHFFFAOYSA-N 1 0 333.378 4.440 20 30 EIEDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nccc(-c2ccccc2)c1C#N ZINC001167623879 1027431925 /nfs/dbraw/zinc/43/19/25/1027431925.db2.gz ADQCYFPSHYCVLD-UHFFFAOYSA-N 1 0 334.467 4.105 20 30 EIEDRO Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)n1 ZINC000897301418 1027457914 /nfs/dbraw/zinc/45/79/14/1027457914.db2.gz IXPYMTJOAAOOMG-QGZVFWFLSA-N 1 0 337.492 4.071 20 30 EIEDRO N#CCCCCN1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444399112 1027473027 /nfs/dbraw/zinc/47/30/27/1027473027.db2.gz LXAFCPYSKDZLDF-UHFFFAOYSA-N 1 0 325.500 4.201 20 30 EIEDRO C[C@@H]1C[C@@H](N(C)c2cccc(F)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000523087229 1027486960 /nfs/dbraw/zinc/48/69/60/1027486960.db2.gz VGCVKMKDDZZDDM-AEFFLSMTSA-N 1 0 337.442 4.187 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428355357 1027494981 /nfs/dbraw/zinc/49/49/81/1027494981.db2.gz OZZLCOHOAIFNQY-KPZWWZAWSA-N 1 0 332.806 4.217 20 30 EIEDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000475507035 1027504803 /nfs/dbraw/zinc/50/48/03/1027504803.db2.gz HIWLKPSPMSEJAN-UHFFFAOYSA-N 1 0 344.462 4.362 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](COC)c2cccc(Cl)c2)c1 ZINC000520417798 1027528830 /nfs/dbraw/zinc/52/88/30/1027528830.db2.gz HGJWYXLXCCWUSH-IBGZPJMESA-N 1 0 331.843 4.382 20 30 EIEDRO C[C@@H]1CC(NC2(CC#N)CCCC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168042607 1027562538 /nfs/dbraw/zinc/56/25/38/1027562538.db2.gz ZYPIJALJYWHEHR-QZTJIDSGSA-N 1 0 325.500 4.244 20 30 EIEDRO C[C@H]1CC(NC2(CC#N)CCCC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168042608 1027563227 /nfs/dbraw/zinc/56/32/27/1027563227.db2.gz ZYPIJALJYWHEHR-ROUUACIJSA-N 1 0 325.500 4.244 20 30 EIEDRO N#CC1(CCCC[N@@H+](CCO)[C@H]2CCCc3ccccc32)CCC1 ZINC001167990349 1027565062 /nfs/dbraw/zinc/56/50/62/1027565062.db2.gz RFFIRNFBIGADQL-FQEVSTJZSA-N 1 0 326.484 4.222 20 30 EIEDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)c(OC)c1 ZINC000329147748 1027609591 /nfs/dbraw/zinc/60/95/91/1027609591.db2.gz PDYAQLLYHIWLGQ-GJZGRUSLSA-N 1 0 346.471 4.192 20 30 EIEDRO CC(C)c1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)nn1C(C)(C)C ZINC000329200782 1027644008 /nfs/dbraw/zinc/64/40/08/1027644008.db2.gz XKCORTARRAUQQI-HNNXBMFYSA-N 1 0 346.519 4.083 20 30 EIEDRO Cc1ccnc(C)c1NC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000329255348 1027675951 /nfs/dbraw/zinc/67/59/51/1027675951.db2.gz XDZIFRQMBPLEQB-UHFFFAOYSA-N 1 0 344.503 4.071 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(C)c(C)c2)cc(OC)c1OC ZINC000237309391 1027676392 /nfs/dbraw/zinc/67/63/92/1027676392.db2.gz HKONUVIZHRXMBP-UHFFFAOYSA-N 1 0 325.452 4.339 20 30 EIEDRO CCC(C#N)(CC)C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000894984170 1027684681 /nfs/dbraw/zinc/68/46/81/1027684681.db2.gz ISVPSEFRLBSJMJ-UHFFFAOYSA-N 1 0 341.377 4.035 20 30 EIEDRO Cc1ccnc(-c2cccc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)c2)n1 ZINC000329331807 1027731983 /nfs/dbraw/zinc/73/19/83/1027731983.db2.gz ZSUQDFVOTDOAPN-MRXNPFEDSA-N 1 0 338.455 4.305 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1F ZINC000550393693 1027747973 /nfs/dbraw/zinc/74/79/73/1027747973.db2.gz ZABZYGBDQMENEV-QGZVFWFLSA-N 1 0 330.790 4.004 20 30 EIEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)c2ccc(F)cc2Cl)cc1 ZINC000304751734 1027758673 /nfs/dbraw/zinc/75/86/73/1027758673.db2.gz JQENARWFBOQBKC-UHFFFAOYSA-N 1 0 349.837 4.192 20 30 EIEDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000282011663 1027760509 /nfs/dbraw/zinc/76/05/09/1027760509.db2.gz ONXZAHFOQRBYIX-MOPGFXCFSA-N 1 0 326.484 4.273 20 30 EIEDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193076981 1027784447 /nfs/dbraw/zinc/78/44/47/1027784447.db2.gz QHURZEGOHSRXLR-KNQAVFIVSA-N 1 0 348.490 4.122 20 30 EIEDRO C[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000328665851 1027787880 /nfs/dbraw/zinc/78/78/80/1027787880.db2.gz ZNIVVNIZMCLFNV-DOMZBBRYSA-N 1 0 331.485 4.255 20 30 EIEDRO C[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000328665860 1027788369 /nfs/dbraw/zinc/78/83/69/1027788369.db2.gz ZNIVVNIZMCLFNV-WFASDCNBSA-N 1 0 331.485 4.255 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328683451 1027795831 /nfs/dbraw/zinc/79/58/31/1027795831.db2.gz DLKHHQVLKNOFLL-DOMZBBRYSA-N 1 0 349.862 4.256 20 30 EIEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)C2CCCCC2)cc1OC ZINC000305706048 1027803448 /nfs/dbraw/zinc/80/34/48/1027803448.db2.gz HYIDVDJTQOSFBK-UHFFFAOYSA-N 1 0 333.476 4.037 20 30 EIEDRO C[C@H](NC(=O)C1CCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000328780045 1027813036 /nfs/dbraw/zinc/81/30/36/1027813036.db2.gz GXQFFRIVIZZAPC-HNNXBMFYSA-N 1 0 349.519 4.275 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ncoc2C2CC2)CC1 ZINC000328883727 1027824520 /nfs/dbraw/zinc/82/45/20/1027824520.db2.gz MKMNYWUIZQLXEQ-AWEZNQCLSA-N 1 0 339.439 4.082 20 30 EIEDRO C=CCCC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000523256985 1027888215 /nfs/dbraw/zinc/88/82/15/1027888215.db2.gz DFSKCLRQSJJEJX-INIZCTEOSA-N 1 0 342.405 4.171 20 30 EIEDRO CC(C)C[C@H](C)n1nccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000331134501 1027926486 /nfs/dbraw/zinc/92/64/86/1027926486.db2.gz RJAGOTNJIVHEJY-HNNXBMFYSA-N 1 0 349.523 4.079 20 30 EIEDRO CC(C)[N@H+](CCCCC(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000444643776 1027938652 /nfs/dbraw/zinc/93/86/52/1027938652.db2.gz UHGCWAJDSVKFFU-UHFFFAOYSA-N 1 0 340.471 4.266 20 30 EIEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444676277 1027957751 /nfs/dbraw/zinc/95/77/51/1027957751.db2.gz NPLJJJVZRJACSA-DYVFJYSZSA-N 1 0 333.863 4.051 20 30 EIEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000444676284 1027958408 /nfs/dbraw/zinc/95/84/08/1027958408.db2.gz NPLJJJVZRJACSA-SUMWQHHRSA-N 1 0 333.863 4.051 20 30 EIEDRO C[C@@H](C(=O)Nc1csc(-c2ccccn2)n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329764326 1028117150 /nfs/dbraw/zinc/11/71/50/1028117150.db2.gz VOWAOTDDXGTUKB-XQQFMLRXSA-N 1 0 330.457 4.054 20 30 EIEDRO CCCc1ccc2[nH+]ccc(N3CCC4(CC3)CC(=O)C=CO4)c2c1 ZINC000896881911 1028165088 /nfs/dbraw/zinc/16/50/88/1028165088.db2.gz GPCSEMDXRJNPNU-UHFFFAOYSA-N 1 0 336.435 4.029 20 30 EIEDRO Cc1ccc(-n2cccn2)cc1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000330006113 1028179060 /nfs/dbraw/zinc/17/90/60/1028179060.db2.gz DUNFMLXFDNUONE-LJQANCHMSA-N 1 0 338.455 4.176 20 30 EIEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000343115056 1028267122 /nfs/dbraw/zinc/26/71/22/1028267122.db2.gz CWVPCXBAAXACIJ-MJGOQNOKSA-N 1 0 330.472 4.052 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000280928384 1028277650 /nfs/dbraw/zinc/27/76/50/1028277650.db2.gz UVCCLSDTWIURTH-AFIMGQEJSA-N 1 0 330.497 4.359 20 30 EIEDRO Cc1cc(C)n(-c2cccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c2)n1 ZINC000330297673 1028282729 /nfs/dbraw/zinc/28/27/29/1028282729.db2.gz LAMUOLMLFMUPPA-GOSISDBHSA-N 1 0 340.471 4.342 20 30 EIEDRO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346213685 1028315764 /nfs/dbraw/zinc/31/57/64/1028315764.db2.gz YRLKVBOUMNJHKH-HNNXBMFYSA-N 1 0 334.398 4.042 20 30 EIEDRO CCN(CCC#N)C(=O)CN(Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000346325979 1028372710 /nfs/dbraw/zinc/37/27/10/1028372710.db2.gz BSXKIJRLZFTTKO-IBGZPJMESA-N 1 0 349.478 4.012 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCC[C@@H](c3ncccc3C)C2)CC1 ZINC000281200430 1028434090 /nfs/dbraw/zinc/43/40/90/1028434090.db2.gz KDARVIVCRQJWRB-UYAOXDASSA-N 1 0 327.516 4.046 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCOc3ccccc32)c(C(F)(F)F)c1 ZINC000564414940 1028765660 /nfs/dbraw/zinc/76/56/60/1028765660.db2.gz JLHIZRNYFXFPAV-AWEZNQCLSA-N 1 0 346.352 4.233 20 30 EIEDRO COc1cc(C[NH2+]CCCCCOC2CCCCC2)ccc1C#N ZINC000440820237 1028805369 /nfs/dbraw/zinc/80/53/69/1028805369.db2.gz FPSSENDJEYTEKB-UHFFFAOYSA-N 1 0 330.472 4.176 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000281606357 1028810327 /nfs/dbraw/zinc/81/03/27/1028810327.db2.gz GHFYHROFRWASOT-UHFFFAOYSA-N 1 0 335.451 4.080 20 30 EIEDRO C=CCC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1 ZINC000458569036 1028832959 /nfs/dbraw/zinc/83/29/59/1028832959.db2.gz JGBJSRHAYWNBFC-SFHVURJKSA-N 1 0 331.504 4.114 20 30 EIEDRO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281876144 1028903440 /nfs/dbraw/zinc/90/34/40/1028903440.db2.gz CPGNIGBDFMIAOL-VQIMIIECSA-N 1 0 330.447 4.309 20 30 EIEDRO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281876138 1028904017 /nfs/dbraw/zinc/90/40/17/1028904017.db2.gz CPGNIGBDFMIAOL-QFBILLFUSA-N 1 0 330.447 4.309 20 30 EIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCCC1(C#N)CCOCC1 ZINC000281878836 1028905632 /nfs/dbraw/zinc/90/56/32/1028905632.db2.gz CVNJYKAHNCLHTG-LJQANCHMSA-N 1 0 344.499 4.473 20 30 EIEDRO N#CC1(CCC[NH2+][C@H](c2ccc(F)cc2)C2CCC2)CCOCC1 ZINC000281897565 1028922150 /nfs/dbraw/zinc/92/21/50/1028922150.db2.gz FKYPSPMLFKIJMY-IBGZPJMESA-N 1 0 330.447 4.357 20 30 EIEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000444120869 1028965269 /nfs/dbraw/zinc/96/52/69/1028965269.db2.gz XQGXOSWPBWCFQH-NRFANRHFSA-N 1 0 335.451 4.216 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)Oc2ccccc2)cc1OC ZINC000524459298 1028970080 /nfs/dbraw/zinc/97/00/80/1028970080.db2.gz RULYWWDDGSUSBA-UHFFFAOYSA-N 1 0 341.451 4.207 20 30 EIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000347243086 1028970480 /nfs/dbraw/zinc/97/04/80/1028970480.db2.gz UBPBVCTXUDXDSV-UHFFFAOYSA-N 1 0 342.483 4.127 20 30 EIEDRO COc1ccc(OC2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000522833358 1028980153 /nfs/dbraw/zinc/98/01/53/1028980153.db2.gz YPKOKMIPWREYSP-MRXNPFEDSA-N 1 0 336.435 4.171 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(Br)cs1)CC2 ZINC000583722787 1029084717 /nfs/dbraw/zinc/08/47/17/1029084717.db2.gz NGYMFTATMRPBTN-HNNXBMFYSA-N 1 0 333.254 4.159 20 30 EIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)c1C ZINC000444224209 1029090266 /nfs/dbraw/zinc/09/02/66/1029090266.db2.gz JDIDPNYRUIXYDE-OAQYLSRUSA-N 1 0 347.462 4.341 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)c2cccc(C)c2)cc1OC ZINC000524636890 1029134908 /nfs/dbraw/zinc/13/49/08/1029134908.db2.gz WLLNNFVBIPEAGZ-KRWDZBQOSA-N 1 0 325.452 4.462 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC[N@@H+](C(C)(C)C)CC3)c2c1 ZINC000524689736 1029170722 /nfs/dbraw/zinc/17/07/22/1029170722.db2.gz ORYAKGQKSQUDKJ-UHFFFAOYSA-N 1 0 336.483 4.034 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCc1nc3c(s1)CCCC3)CC2 ZINC000583782689 1029171732 /nfs/dbraw/zinc/17/17/32/1029171732.db2.gz XRKFEJOBXTZABK-QGZVFWFLSA-N 1 0 337.492 4.103 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(Br)c2)CC2CC2)o1 ZINC000475138038 1029287874 /nfs/dbraw/zinc/28/78/74/1029287874.db2.gz LVLGYVKUJHZIMS-UHFFFAOYSA-N 1 0 345.240 4.326 20 30 EIEDRO C[C@@H]1CC(N(C)Cc2cccc(C#N)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168056989 1029323190 /nfs/dbraw/zinc/32/31/90/1029323190.db2.gz LDOKSQDJNWPEFT-RTBURBONSA-N 1 0 347.506 4.432 20 30 EIEDRO C[C@H]1CC(N(C)Cc2cccc(C#N)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168056988 1029325297 /nfs/dbraw/zinc/32/52/97/1029325297.db2.gz LDOKSQDJNWPEFT-OALUTQOASA-N 1 0 347.506 4.432 20 30 EIEDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CC1 ZINC000536155443 1029337119 /nfs/dbraw/zinc/33/71/19/1029337119.db2.gz NDTKEQMPIIVPDD-UHFFFAOYSA-N 1 0 347.462 4.237 20 30 EIEDRO CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000583900973 1029346866 /nfs/dbraw/zinc/34/68/66/1029346866.db2.gz FOYAMOFETUSCBW-HZPDHXFCSA-N 1 0 347.528 4.387 20 30 EIEDRO COc1ccc(Br)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000035256353 1029428249 /nfs/dbraw/zinc/42/82/49/1029428249.db2.gz LDJKWDACALCSDG-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO CC(C)COc1ccc(C(C)(C)C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000583963792 1029437370 /nfs/dbraw/zinc/43/73/70/1029437370.db2.gz CIMMVRSPUJRRDK-UHFFFAOYSA-N 1 0 343.496 4.117 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1OC ZINC000475283047 1029496829 /nfs/dbraw/zinc/49/68/29/1029496829.db2.gz HMNCXYAMENWSCK-UHFFFAOYSA-N 1 0 341.451 4.291 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)CCc2ccc(OC/C=C/C)cc2)CC1 ZINC000468366018 1029560548 /nfs/dbraw/zinc/56/05/48/1029560548.db2.gz CCAJFBWOSZDZGS-OQBYNLHGSA-N 1 0 342.527 4.203 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000278951784 1029593891 /nfs/dbraw/zinc/59/38/91/1029593891.db2.gz YUXGFTHOEAKLJP-QUCCMNQESA-N 1 0 327.516 4.207 20 30 EIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000329681216 1029635558 /nfs/dbraw/zinc/63/55/58/1029635558.db2.gz YEHAJTDTYQUHFK-GXTWGEPZSA-N 1 0 343.496 4.207 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@@H](c3cccc(F)c3)C3CCCC3)n2c1 ZINC000584128787 1029638699 /nfs/dbraw/zinc/63/86/99/1029638699.db2.gz XLBYQDPFSVDSBA-OAQYLSRUSA-N 1 0 348.425 4.366 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000657850685 1029778690 /nfs/dbraw/zinc/77/86/90/1029778690.db2.gz KIAGACGJBFRKHZ-YZGWKJHDSA-N 1 0 342.483 4.029 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000118398965 1029836356 /nfs/dbraw/zinc/83/63/56/1029836356.db2.gz MGSHBDCUFYXSFC-HNNXBMFYSA-N 1 0 330.435 4.375 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OCC(C)C)cc1 ZINC000584437518 1029866735 /nfs/dbraw/zinc/86/67/35/1029866735.db2.gz LZVUJMGXDHNCNX-UHFFFAOYSA-N 1 0 343.467 4.385 20 30 EIEDRO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000573256017 1029887580 /nfs/dbraw/zinc/88/75/80/1029887580.db2.gz VUPIEEVQDIFGKT-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)CC(C)C ZINC000450748394 1029951672 /nfs/dbraw/zinc/95/16/72/1029951672.db2.gz WTBMUMGBJVWOBC-INIZCTEOSA-N 1 0 336.549 4.019 20 30 EIEDRO C[C@@H](O)C[N@H+](Cc1ccccc1C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441243059 1029984746 /nfs/dbraw/zinc/98/47/46/1029984746.db2.gz WDEPROCLFKZXOP-JKSUJKDBSA-N 1 0 342.870 4.026 20 30 EIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)c1 ZINC000525784083 1030015923 /nfs/dbraw/zinc/01/59/23/1030015923.db2.gz YUOZVIJPSBIEIM-OAQYLSRUSA-N 1 0 344.462 4.214 20 30 EIEDRO N#Cc1ccc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000385181809 1030050140 /nfs/dbraw/zinc/05/01/40/1030050140.db2.gz KTNXOGPRIFEKIT-UHFFFAOYSA-N 1 0 331.463 4.051 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](C)c2ncc(C)s2)ccc1OC ZINC000184345196 1030070039 /nfs/dbraw/zinc/07/00/39/1030070039.db2.gz DIRDVNMORUKMRW-AWEZNQCLSA-N 1 0 346.496 4.308 20 30 EIEDRO C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1CCCC(C)(C)C#N ZINC000447387131 1030071568 /nfs/dbraw/zinc/07/15/68/1030071568.db2.gz SXNRLRHHOVLJAP-KRWDZBQOSA-N 1 0 336.483 4.075 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccsc1 ZINC000525858680 1030080884 /nfs/dbraw/zinc/08/08/84/1030080884.db2.gz OGPYIJCHSYKTOT-NVPAJSRCSA-N 1 0 327.453 4.056 20 30 EIEDRO COCC1(C#N)CC[NH+](Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 ZINC000450928211 1030113517 /nfs/dbraw/zinc/11/35/17/1030113517.db2.gz FQFWUTOHRNQWNI-AWEZNQCLSA-N 1 0 340.389 4.105 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cc1OC ZINC000185230265 1030133187 /nfs/dbraw/zinc/13/31/87/1030133187.db2.gz QBKVZPIBDUOEML-LPHOPBHVSA-N 1 0 338.451 4.238 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](CC)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000657875704 1030143138 /nfs/dbraw/zinc/14/31/38/1030143138.db2.gz OGPBTAGCVZMPPP-KRWDZBQOSA-N 1 0 340.433 4.267 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](CC)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000657875706 1030143584 /nfs/dbraw/zinc/14/35/84/1030143584.db2.gz OGPBTAGCVZMPPP-QGZVFWFLSA-N 1 0 340.433 4.267 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450980479 1030155983 /nfs/dbraw/zinc/15/59/83/1030155983.db2.gz FCYANIBEJWOJRG-RXVVDRJESA-N 1 0 341.499 4.007 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450980477 1030157993 /nfs/dbraw/zinc/15/79/93/1030157993.db2.gz FCYANIBEJWOJRG-GHTZIAJQSA-N 1 0 341.499 4.007 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(C#N)cc1 ZINC000447562536 1030173042 /nfs/dbraw/zinc/17/30/42/1030173042.db2.gz LWSBZTALDWRMSD-OALUTQOASA-N 1 0 343.421 4.180 20 30 EIEDRO CC[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1 ZINC000447583843 1030181758 /nfs/dbraw/zinc/18/17/58/1030181758.db2.gz CVEVZZHIVFGSLA-OAHLLOKOSA-N 1 0 349.356 4.092 20 30 EIEDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000545208075 1030199556 /nfs/dbraw/zinc/19/95/56/1030199556.db2.gz CDBYFASIFNAPLJ-QGZVFWFLSA-N 1 0 331.341 4.176 20 30 EIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ncc(-c3ccccc3)cn2)c1 ZINC000185591765 1030206776 /nfs/dbraw/zinc/20/67/76/1030206776.db2.gz YDANXSGJEMHVCS-UHFFFAOYSA-N 1 0 345.450 4.194 20 30 EIEDRO CC[C@@H](Nc1ccccc1N1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000447602902 1030223955 /nfs/dbraw/zinc/22/39/55/1030223955.db2.gz WDDWALFLIFAFLJ-HXUWFJFHSA-N 1 0 348.494 4.263 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cnn1-c1ccc(F)cc1 ZINC000185799163 1030227119 /nfs/dbraw/zinc/22/71/19/1030227119.db2.gz LPNQVYMJJYUTNQ-UKPHBRMFSA-N 1 0 326.419 4.053 20 30 EIEDRO COc1cc(C#N)ccc1C[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451139794 1030254295 /nfs/dbraw/zinc/25/42/95/1030254295.db2.gz AYLOLTSGPFFSSO-ZOWXZIJZSA-N 1 0 326.362 4.118 20 30 EIEDRO C/C(=C\c1ccccc1)C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000526082806 1030263616 /nfs/dbraw/zinc/26/36/16/1030263616.db2.gz QUCSBZWQZAXFES-SAPNQHFASA-N 1 0 347.462 4.336 20 30 EIEDRO Cc1nccn1CCCCNc1c(C#N)cnc2ccc(C(C)C)cc21 ZINC000447684728 1030272649 /nfs/dbraw/zinc/27/26/49/1030272649.db2.gz DFNWEGLXYFAVRG-UHFFFAOYSA-N 1 0 347.466 4.049 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186696425 1030303451 /nfs/dbraw/zinc/30/34/51/1030303451.db2.gz QFAUCWZWAVFLAG-JOCHJYFZSA-N 1 0 332.447 4.119 20 30 EIEDRO C=CCCC[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000447795925 1030328682 /nfs/dbraw/zinc/32/86/82/1030328682.db2.gz QYIGFUGEBLEYFA-HXUWFJFHSA-N 1 0 338.451 4.239 20 30 EIEDRO CC1(C)OCC[C@@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451244688 1030342507 /nfs/dbraw/zinc/34/25/07/1030342507.db2.gz RMFPEHLCFZMIRE-FQEVSTJZSA-N 1 0 334.463 4.043 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cc(Br)ccc1F)c1ccccc1 ZINC000756998008 1030342432 /nfs/dbraw/zinc/34/24/32/1030342432.db2.gz QALAUNIOOOGMOJ-QGZVFWFLSA-N 1 0 332.216 4.442 20 30 EIEDRO N#Cc1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451304597 1030395190 /nfs/dbraw/zinc/39/51/90/1030395190.db2.gz OTXOFJFCMASIDD-ZFWWWQNUSA-N 1 0 326.362 4.038 20 30 EIEDRO COc1cccc([C@@H](C)[NH+]2CCN([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000527191109 1030547110 /nfs/dbraw/zinc/54/71/10/1030547110.db2.gz MBDMMIDEOLFGMI-QZTJIDSGSA-N 1 0 349.478 4.007 20 30 EIEDRO N#CCc1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000451547620 1030568345 /nfs/dbraw/zinc/56/83/45/1030568345.db2.gz LFZGOKGGAQBVMS-IBGZPJMESA-N 1 0 335.407 4.040 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[NH+]1CCCCC1 ZINC000191437499 1030624340 /nfs/dbraw/zinc/62/43/40/1030624340.db2.gz NISIHDWXHRTBEW-UHFFFAOYSA-N 1 0 329.488 4.146 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccs1 ZINC000527349668 1030641227 /nfs/dbraw/zinc/64/12/27/1030641227.db2.gz BJYUDHIXJFFMLS-JEYLPNPQSA-N 1 0 327.453 4.056 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000115621527 1030689046 /nfs/dbraw/zinc/68/90/46/1030689046.db2.gz DKPQNYAWOICQQV-HXUWFJFHSA-N 1 0 349.478 4.128 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000192979377 1030730609 /nfs/dbraw/zinc/73/06/09/1030730609.db2.gz FBWLXXPFAQIZFW-UHFFFAOYSA-N 1 0 331.419 4.207 20 30 EIEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399174104 1030746015 /nfs/dbraw/zinc/74/60/15/1030746015.db2.gz JHBWOLXCLNEDGO-JOCHJYFZSA-N 1 0 347.506 4.143 20 30 EIEDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3cccc(C#N)c3)c2C1 ZINC000102733965 1030751965 /nfs/dbraw/zinc/75/19/65/1030751965.db2.gz DUVYPZKYDXLYFU-UHFFFAOYSA-N 1 0 333.435 4.172 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918455 1030767754 /nfs/dbraw/zinc/76/77/54/1030767754.db2.gz YUQIWOZLMCAQFC-INIZCTEOSA-N 1 0 329.271 4.120 20 30 EIEDRO N#Cc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000530865503 1030770594 /nfs/dbraw/zinc/77/05/94/1030770594.db2.gz ZAGZNOALWWBMCB-QHCPKHFHSA-N 1 0 345.490 4.046 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000658039514 1030793985 /nfs/dbraw/zinc/79/39/85/1030793985.db2.gz ZXYGSVDPEPKAIN-UAGQMJEPSA-N 1 0 327.390 4.207 20 30 EIEDRO Cn1cc(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1C#N ZINC000191223267 1030802446 /nfs/dbraw/zinc/80/24/46/1030802446.db2.gz UARMAOPGDKXDEY-UHFFFAOYSA-N 1 0 333.357 4.080 20 30 EIEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNc1cccc(C(F)(F)F)c1 ZINC000783776198 1030835888 /nfs/dbraw/zinc/83/58/88/1030835888.db2.gz GTPMYBFTGLLZPA-UHFFFAOYSA-N 1 0 345.328 4.041 20 30 EIEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)o1 ZINC000527810461 1030854746 /nfs/dbraw/zinc/85/47/46/1030854746.db2.gz IRRFDAHDEUOGDH-HNAYVOBHSA-N 1 0 336.435 4.070 20 30 EIEDRO Cc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1Cl ZINC000527812382 1030857310 /nfs/dbraw/zinc/85/73/10/1030857310.db2.gz SHULTJNYWBVODP-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000103469733 1030891986 /nfs/dbraw/zinc/89/19/86/1030891986.db2.gz VFQNMDRYRWLTQT-OAQYLSRUSA-N 1 0 345.446 4.039 20 30 EIEDRO C[C@H](c1cccs1)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000054429012 1030905979 /nfs/dbraw/zinc/90/59/79/1030905979.db2.gz QKSLAGAXPXOFAX-GFCCVEGCSA-N 1 0 347.871 4.295 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2sccc2C#N)cc1 ZINC000052031703 1030941276 /nfs/dbraw/zinc/94/12/76/1030941276.db2.gz MAPZNKRHUNWGSL-CQSZACIVSA-N 1 0 339.464 4.246 20 30 EIEDRO CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000310056439 1031005914 /nfs/dbraw/zinc/00/59/14/1031005914.db2.gz LIOKEVMYILERAD-HOTGVXAUSA-N 1 0 337.508 4.132 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1cccc(C#N)c1 ZINC000610830126 1031033219 /nfs/dbraw/zinc/03/32/19/1031033219.db2.gz FVCYRMCAJDIJMM-LLGFUMIMSA-N 1 0 325.500 4.252 20 30 EIEDRO CN(C)C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528012283 1031040375 /nfs/dbraw/zinc/04/03/75/1031040375.db2.gz SNYYRYCZYLRRRU-QEORTHHSSA-N 1 0 340.298 4.268 20 30 EIEDRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccc(C#N)cc1 ZINC001126714120 1031055881 /nfs/dbraw/zinc/05/58/81/1031055881.db2.gz GAFHQVVTSICQRK-OAHLLOKOSA-N 1 0 338.407 4.055 20 30 EIEDRO C[C@@]1(C#N)CCC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000612163207 1031072264 /nfs/dbraw/zinc/07/22/64/1031072264.db2.gz PLDBPUNQMDBLPM-KRWDZBQOSA-N 1 0 340.389 4.490 20 30 EIEDRO C[C@@]1(C#N)CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000612163653 1031080155 /nfs/dbraw/zinc/08/01/55/1031080155.db2.gz VQZFJSXAQJXCCI-RTZWDOBSSA-N 1 0 333.273 4.478 20 30 EIEDRO N#Cc1csc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000531356348 1031111070 /nfs/dbraw/zinc/11/10/70/1031111070.db2.gz SEFIIOWNPSEGNK-SFHVURJKSA-N 1 0 345.899 4.200 20 30 EIEDRO CC(C)c1nc(CN2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000104712752 1031111489 /nfs/dbraw/zinc/11/14/89/1031111489.db2.gz OBKGTFDWGHQBGP-UHFFFAOYSA-N 1 0 341.480 4.182 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccsc1 ZINC000532508729 1031228107 /nfs/dbraw/zinc/22/81/07/1031228107.db2.gz CSINLJDGOFCPQL-XJKSGUPXSA-N 1 0 329.444 4.078 20 30 EIEDRO Cc1ccc([C@H](C)[N@H+](C)CCC(=O)Nc2ccccc2C#N)c(C)c1 ZINC000532493521 1031233533 /nfs/dbraw/zinc/23/35/33/1031233533.db2.gz CKUPWAWWVYLMAY-KRWDZBQOSA-N 1 0 335.451 4.197 20 30 EIEDRO C#CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1CC1 ZINC001168235631 1031381552 /nfs/dbraw/zinc/38/15/52/1031381552.db2.gz WGMRQFROULULAB-UHFFFAOYSA-N 1 0 328.459 4.232 20 30 EIEDRO Cc1nccnc1[C@H](C)N[C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000364863198 1031420935 /nfs/dbraw/zinc/42/09/35/1031420935.db2.gz JQLBUBSWVZFSDL-UONOGXRCSA-N 1 0 349.463 4.192 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000449083493 1031438897 /nfs/dbraw/zinc/43/88/97/1031438897.db2.gz UIFAZZCJGUKFLL-LJQANCHMSA-N 1 0 342.527 4.335 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000449091994 1031451419 /nfs/dbraw/zinc/45/14/19/1031451419.db2.gz KWPYBBLMCQVQHX-GULBITTBSA-N 1 0 349.272 4.335 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(=O)[nH]n1 ZINC000375897305 1031462366 /nfs/dbraw/zinc/46/23/66/1031462366.db2.gz GLDAMKHPDUMGJY-LSDHHAIUSA-N 1 0 344.418 4.133 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000449113362 1031473063 /nfs/dbraw/zinc/47/30/63/1031473063.db2.gz AORPSJBZDBCHLJ-GOSISDBHSA-N 1 0 328.500 4.324 20 30 EIEDRO CN1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@H]1c1cccs1 ZINC000449161093 1031500423 /nfs/dbraw/zinc/50/04/23/1031500423.db2.gz NSKOCFKNOVMGHE-YQBZFSLMSA-N 1 0 331.529 4.193 20 30 EIEDRO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000124225632 1031515358 /nfs/dbraw/zinc/51/53/58/1031515358.db2.gz BOKMYOZJDUHMFH-IIBYNOLFSA-N 1 0 336.435 4.323 20 30 EIEDRO COc1ccccc1[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccn1 ZINC000449209418 1031531788 /nfs/dbraw/zinc/53/17/88/1031531788.db2.gz QPJTZUZLFKTPFU-WJAMPBCPSA-N 1 0 335.451 4.242 20 30 EIEDRO CN1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000449212962 1031541612 /nfs/dbraw/zinc/54/16/12/1031541612.db2.gz JNHFQVYGFTXPLF-QGLXBCBXSA-N 1 0 331.891 4.147 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCC(F)(F)C2)ccc1OC ZINC000531759388 1031558380 /nfs/dbraw/zinc/55/83/80/1031558380.db2.gz NZDMTMSSMVPHJU-HNNXBMFYSA-N 1 0 325.399 4.318 20 30 EIEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(C#N)c1 ZINC000612480872 1031567669 /nfs/dbraw/zinc/56/76/69/1031567669.db2.gz IQRMPMAHMZQURG-LJQANCHMSA-N 1 0 333.460 4.397 20 30 EIEDRO N#Cc1ccc(N2CCC([NH+]3CCCCC3)CC2)cc1C(F)(F)F ZINC000391651080 1031599520 /nfs/dbraw/zinc/59/95/20/1031599520.db2.gz XCWASHUKFZTQNX-UHFFFAOYSA-N 1 0 337.389 4.032 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1nccc2ccccc21 ZINC000610137491 1031609390 /nfs/dbraw/zinc/60/93/90/1031609390.db2.gz WNFRFMGXHQBGOM-UHFFFAOYSA-N 1 0 333.460 4.129 20 30 EIEDRO CC1CCN([C@@H](C[NH2+]Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000236654813 1031622158 /nfs/dbraw/zinc/62/21/58/1031622158.db2.gz YIZPBRXACDEWMK-IBGZPJMESA-N 1 0 339.508 4.183 20 30 EIEDRO CC[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccncc1 ZINC000453128001 1031633786 /nfs/dbraw/zinc/63/37/86/1031633786.db2.gz ADXBKJMAKGGLLJ-SOAGJPPSSA-N 1 0 335.451 4.384 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000449323754 1031638202 /nfs/dbraw/zinc/63/82/02/1031638202.db2.gz WTNNPKDJEULMLN-PWZRNIHTSA-N 1 0 341.282 4.479 20 30 EIEDRO CC(C)(C)OC(=O)CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449358126 1031679158 /nfs/dbraw/zinc/67/91/58/1031679158.db2.gz DXJYGXIXGBFAJL-GBESFXJTSA-N 1 0 342.483 4.001 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)cc(OC)c1O ZINC000449456193 1031751983 /nfs/dbraw/zinc/75/19/83/1031751983.db2.gz CHPNDTXHIUBQCA-IUODEOHRSA-N 1 0 343.389 4.292 20 30 EIEDRO Cc1csc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000449480020 1031779584 /nfs/dbraw/zinc/77/95/84/1031779584.db2.gz NIOAXGDYHFMUQV-UHFFFAOYSA-N 1 0 336.464 4.124 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c(Br)cccc32)C1 ZINC000453286524 1031806708 /nfs/dbraw/zinc/80/67/08/1031806708.db2.gz DHCSOULBYZBHQZ-DCGLDWPTSA-N 1 0 333.273 4.498 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(-c3ccccn3)c2)cc1 ZINC000130246038 1031829910 /nfs/dbraw/zinc/82/99/10/1031829910.db2.gz PVPUPHRJWMWFQC-QGZVFWFLSA-N 1 0 343.430 4.329 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449548460 1031837202 /nfs/dbraw/zinc/83/72/02/1031837202.db2.gz NNNDUSOYVDDVCP-UEKVPHQBSA-N 1 0 337.236 4.247 20 30 EIEDRO C=CC1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459339522 1031856786 /nfs/dbraw/zinc/85/67/86/1031856786.db2.gz DMLGYDJIKKNMGU-UHFFFAOYSA-N 1 0 336.483 4.458 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc1F ZINC000453362615 1031900822 /nfs/dbraw/zinc/90/08/22/1031900822.db2.gz BLGQZULPOXFTFQ-FQEVSTJZSA-N 1 0 336.410 4.190 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000453371784 1031917040 /nfs/dbraw/zinc/91/70/40/1031917040.db2.gz UXUZBSQRDHLALB-LRDDRELGSA-N 1 0 334.460 4.235 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000453376296 1031925672 /nfs/dbraw/zinc/92/56/72/1031925672.db2.gz XYSJRYYFGCFTMZ-MJEQTWJJSA-N 1 0 332.444 4.333 20 30 EIEDRO N#Cc1ccc(CNCc2c(Cl)cccc2N2CCCC2)cc1F ZINC000449735390 1031968004 /nfs/dbraw/zinc/96/80/04/1031968004.db2.gz QODARVLXWVCOBF-UHFFFAOYSA-N 1 0 343.833 4.241 20 30 EIEDRO N#Cc1ccc(CNCc2cc(Cl)ccc2OCC2CC2)cc1F ZINC000449734409 1031969177 /nfs/dbraw/zinc/96/91/77/1031969177.db2.gz BHYDQYBDNYKQCT-UHFFFAOYSA-N 1 0 344.817 4.429 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)c1 ZINC000453578812 1032025275 /nfs/dbraw/zinc/02/52/75/1032025275.db2.gz RGRYRIWVCPNTFN-SFHVURJKSA-N 1 0 331.481 4.162 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1OCCCC#N ZINC000453603082 1032039815 /nfs/dbraw/zinc/03/98/15/1032039815.db2.gz HQLHIMNLHDOYDS-HXUWFJFHSA-N 1 0 328.456 4.046 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000512551459 1033331462 /nfs/dbraw/zinc/33/14/62/1033331462.db2.gz DQSZTRDYUYRFON-UHFFFAOYSA-N 1 0 337.341 4.440 20 30 EIEDRO CCCN(C)[C@H](C[NH2+]Cc1ccc(C#N)s1)c1ccc(Cl)cc1 ZINC000512560316 1033378079 /nfs/dbraw/zinc/37/80/79/1033378079.db2.gz CVUYCKYEPSGYBL-GOSISDBHSA-N 1 0 347.915 4.446 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)o1 ZINC000512572588 1033407886 /nfs/dbraw/zinc/40/78/86/1033407886.db2.gz IGZIQJLZRDJZPA-SFHVURJKSA-N 1 0 330.815 4.062 20 30 EIEDRO CCCOc1ccc(Br)cc1C[NH2+]CCCCC#N ZINC000236926967 1033456365 /nfs/dbraw/zinc/45/63/65/1033456365.db2.gz PVUJDWZHNUNOSL-UHFFFAOYSA-N 1 0 325.250 4.021 20 30 EIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)COCc1ccccc1 ZINC000512610430 1033484923 /nfs/dbraw/zinc/48/49/23/1033484923.db2.gz BBTVWLXRYCJADM-CVEARBPZSA-N 1 0 326.415 4.201 20 30 EIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)COCc1ccccc1 ZINC000512610431 1033486921 /nfs/dbraw/zinc/48/69/21/1033486921.db2.gz BBTVWLXRYCJADM-HOTGVXAUSA-N 1 0 326.415 4.201 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610986 1033492332 /nfs/dbraw/zinc/49/23/32/1033492332.db2.gz GTRNTNYNRQBQOR-HUUCEWRRSA-N 1 0 326.415 4.235 20 30 EIEDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610804 1033493685 /nfs/dbraw/zinc/49/36/85/1033493685.db2.gz FCFKHLOABJQYCA-LAPQFRIASA-N 1 0 342.414 4.133 20 30 EIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512612811 1033497031 /nfs/dbraw/zinc/49/70/31/1033497031.db2.gz PYUMPRCWXSRADF-XIKOKIGWSA-N 1 0 332.806 4.389 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000512622730 1033517536 /nfs/dbraw/zinc/51/75/36/1033517536.db2.gz BXNXYMOGNCVRKK-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C[N@H+](CCOc1ccccc1F)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159987 1033528578 /nfs/dbraw/zinc/52/85/78/1033528578.db2.gz FSBUSSYMOVYHNA-UHFFFAOYSA-N 1 0 326.415 4.138 20 30 EIEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Oc1ccccc1Cl ZINC000512624856 1033534935 /nfs/dbraw/zinc/53/49/35/1033534935.db2.gz KNXSVLAVNGRDSF-OLZOCXBDSA-N 1 0 332.806 4.469 20 30 EIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)Oc1ccccc1F ZINC000512631778 1033555568 /nfs/dbraw/zinc/55/55/68/1033555568.db2.gz SOSCNWFTWATKMY-HIFRSBDPSA-N 1 0 330.378 4.345 20 30 EIEDRO CN(Cc1nc2c(s1)CCCC2)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614169007 1033556390 /nfs/dbraw/zinc/55/63/90/1033556390.db2.gz NGNCUYLBCKYIHI-UHFFFAOYSA-N 1 0 339.508 4.455 20 30 EIEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512628692 1033561970 /nfs/dbraw/zinc/56/19/70/1033561970.db2.gz GFPVCCBCBXVDKW-KGLIPLIRSA-N 1 0 340.398 4.098 20 30 EIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C12CCC2 ZINC000614174558 1033571531 /nfs/dbraw/zinc/57/15/31/1033571531.db2.gz ZLUSCTALUIVBQG-RTBURBONSA-N 1 0 326.484 4.267 20 30 EIEDRO CCCOCc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512636293 1033575987 /nfs/dbraw/zinc/57/59/87/1033575987.db2.gz KYFYHWRRXAIRDQ-OAHLLOKOSA-N 1 0 326.415 4.475 20 30 EIEDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176277 1033583798 /nfs/dbraw/zinc/58/37/98/1033583798.db2.gz SBHIKRVXGBQXRU-NRFANRHFSA-N 1 0 336.479 4.261 20 30 EIEDRO C[C@@H]([NH2+]CCCCOCCc1ccccc1)c1ccc(C#N)cc1F ZINC000512649104 1033606908 /nfs/dbraw/zinc/60/69/08/1033606908.db2.gz QJCBRKSODUXUEV-QGZVFWFLSA-N 1 0 340.442 4.387 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000614179326 1033609650 /nfs/dbraw/zinc/60/96/50/1033609650.db2.gz OKMBNQLXCMYBPY-PZJWPPBQSA-N 1 0 334.463 4.355 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC000614179572 1033610105 /nfs/dbraw/zinc/61/01/05/1033610105.db2.gz SKYJROYKBDVISL-IZHWHUGBSA-N 1 0 340.492 4.076 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000614182259 1033627202 /nfs/dbraw/zinc/62/72/02/1033627202.db2.gz JTQBKTSRPWXRAP-IBGZPJMESA-N 1 0 334.463 4.389 20 30 EIEDRO CCCOc1cccc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512656353 1033628874 /nfs/dbraw/zinc/62/88/74/1033628874.db2.gz ZIRHJLPGTVDZLV-HNNXBMFYSA-N 1 0 326.415 4.379 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000614185862 1033646473 /nfs/dbraw/zinc/64/64/73/1033646473.db2.gz BKFAXNCKIZDRPM-JOCHJYFZSA-N 1 0 332.447 4.119 20 30 EIEDRO CCc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)N(C)C)cc1 ZINC000512666930 1033666204 /nfs/dbraw/zinc/66/62/04/1033666204.db2.gz MUJYWIZUCHQZIL-QVKFZJNVSA-N 1 0 339.458 4.213 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)c1ccccc1 ZINC000433022228 1033681330 /nfs/dbraw/zinc/68/13/30/1033681330.db2.gz UHHYEOXIZFOIDW-PMACEKPBSA-N 1 0 342.870 4.268 20 30 EIEDRO Cn1c2ccccc2nc1CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433025592 1033686824 /nfs/dbraw/zinc/68/68/24/1033686824.db2.gz LXKJISLLPAYRAN-SFHVURJKSA-N 1 0 332.451 4.141 20 30 EIEDRO N#CCCC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433027229 1033687330 /nfs/dbraw/zinc/68/73/30/1033687330.db2.gz UCEPBQLSURNUFQ-LJQANCHMSA-N 1 0 336.435 4.025 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC(c3ncc(C)s3)CC2)c1 ZINC000433029144 1033693283 /nfs/dbraw/zinc/69/32/83/1033693283.db2.gz FUEKYYYXKLNTMH-UHFFFAOYSA-N 1 0 328.481 4.396 20 30 EIEDRO CN(CC1CCCCC1)C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433032735 1033702272 /nfs/dbraw/zinc/70/22/72/1033702272.db2.gz MZHGIPXGEKFJNB-HXUWFJFHSA-N 1 0 341.499 4.050 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000429851358 1033873792 /nfs/dbraw/zinc/87/37/92/1033873792.db2.gz QDCTUHSMZPPTIP-KRWDZBQOSA-N 1 0 328.500 4.137 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC000512802571 1033973765 /nfs/dbraw/zinc/97/37/65/1033973765.db2.gz VFNJCIRTCMFONB-QPJJXVBHSA-N 1 0 336.410 4.254 20 30 EIEDRO Fc1cccc(OC(F)(F)F)c1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000512903831 1034151240 /nfs/dbraw/zinc/15/12/40/1034151240.db2.gz HQYUHCUTPXVZSB-UHFFFAOYSA-N 1 0 331.231 4.156 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419331636 1034322398 /nfs/dbraw/zinc/32/23/98/1034322398.db2.gz RTZBIHRLDZSUFB-CABCVRRESA-N 1 0 333.501 4.095 20 30 EIEDRO CC[C@](C)([NH2+]CCCOc1cccc(C#N)c1)c1nc(C)cs1 ZINC000129231376 1034545334 /nfs/dbraw/zinc/54/53/34/1034545334.db2.gz WAIHZVVRKDURFZ-SFHVURJKSA-N 1 0 329.469 4.007 20 30 EIEDRO CC[C@@](C)([NH2+]CCCOc1cccc(C#N)c1)c1nc(C)cs1 ZINC000129231607 1034546228 /nfs/dbraw/zinc/54/62/28/1034546228.db2.gz WAIHZVVRKDURFZ-GOSISDBHSA-N 1 0 329.469 4.007 20 30 EIEDRO COc1ccc(OC)c(C[N@H+](Cc2ccc(C#N)cc2C)C2CC2)c1 ZINC000614395943 1034546622 /nfs/dbraw/zinc/54/66/22/1034546622.db2.gz BKGXDIZUGRIZTL-UHFFFAOYSA-N 1 0 336.435 4.049 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)ccc1OCCC(C)C ZINC000549925313 1034674069 /nfs/dbraw/zinc/67/40/69/1034674069.db2.gz POAFYTKSCMLKQZ-BQFCYCMXSA-N 1 0 330.472 4.463 20 30 EIEDRO N#CCCOCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000549928485 1034744442 /nfs/dbraw/zinc/74/44/42/1034744442.db2.gz RYZYRJHLDXRQGO-LJQANCHMSA-N 1 0 328.843 4.144 20 30 EIEDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccc(OCC#N)cc2)C2CC2)o1 ZINC000729267275 1034768592 /nfs/dbraw/zinc/76/85/92/1034768592.db2.gz OYVFNTNEROJFIB-MGPUTAFESA-N 1 0 336.435 4.470 20 30 EIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000729267386 1034769382 /nfs/dbraw/zinc/76/93/82/1034769382.db2.gz UBAQPBBAIVWQLE-KRWDZBQOSA-N 1 0 347.418 4.110 20 30 EIEDRO COc1ccccc1O[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000513404769 1034918967 /nfs/dbraw/zinc/91/89/67/1034918967.db2.gz ACEMBCZIKHHJGD-QFBILLFUSA-N 1 0 336.435 4.171 20 30 EIEDRO N#CCC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000430024025 1035013696 /nfs/dbraw/zinc/01/36/96/1035013696.db2.gz RLBGBCQUUXULGG-UHFFFAOYSA-N 1 0 348.475 4.384 20 30 EIEDRO Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1F ZINC000430024859 1035014018 /nfs/dbraw/zinc/01/40/18/1035014018.db2.gz JKGROYGDICEYQT-HTQZYQBOSA-N 1 0 329.259 4.454 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000513702264 1035329464 /nfs/dbraw/zinc/32/94/64/1035329464.db2.gz GZFKHRLZZIXYLL-JOCHJYFZSA-N 1 0 331.463 4.268 20 30 EIEDRO Cc1nc(-c2cc3c(s2)CC[N@H+](CCC(C)(C)C#N)C3)cs1 ZINC000345934131 1035334957 /nfs/dbraw/zinc/33/49/57/1035334957.db2.gz BGADCDIMMFKVIO-UHFFFAOYSA-N 1 0 331.510 4.478 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)c1ccco1 ZINC000513702888 1035340385 /nfs/dbraw/zinc/34/03/85/1035340385.db2.gz OECIHNWNRUVREV-FQEVSTJZSA-N 1 0 348.446 4.287 20 30 EIEDRO C=C(C)CN(CC)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000501050244 1035360089 /nfs/dbraw/zinc/36/00/89/1035360089.db2.gz GBNAXZOMZISDFW-GOSISDBHSA-N 1 0 349.906 4.085 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)c1ccco1 ZINC000513707793 1035392286 /nfs/dbraw/zinc/39/22/86/1035392286.db2.gz IXXJDPWZFUIICH-IRXDYDNUSA-N 1 0 326.440 4.164 20 30 EIEDRO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000501332979 1035425839 /nfs/dbraw/zinc/42/58/39/1035425839.db2.gz NPKHCBKYRSDXFW-UHFFFAOYSA-N 1 0 334.341 4.088 20 30 EIEDRO CC(C)(C)CN(CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000513717870 1035487382 /nfs/dbraw/zinc/48/73/82/1035487382.db2.gz SJFJTVQEQYBWBT-UHFFFAOYSA-N 1 0 328.378 4.389 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cc4ccccc4o3)CCOCC2)c1 ZINC000594984004 1035512306 /nfs/dbraw/zinc/51/23/06/1035512306.db2.gz KROGKISAGFBCKD-UHFFFAOYSA-N 1 0 332.403 4.100 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cccc(Cl)c3F)CCOCC2)c1 ZINC000594984668 1035514743 /nfs/dbraw/zinc/51/47/43/1035514743.db2.gz QBULFQIOERLKEC-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1sccc1Br ZINC000595055271 1035536390 /nfs/dbraw/zinc/53/63/90/1035536390.db2.gz BUNWKLKJXFILBL-LLVKDONJSA-N 1 0 335.270 4.276 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)c1ccc(C#N)cc1 ZINC000595061163 1035539047 /nfs/dbraw/zinc/53/90/47/1035539047.db2.gz QKKJUNHVZFBAAF-RDJZCZTQSA-N 1 0 339.870 4.389 20 30 EIEDRO COc1cc2ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc2cc1OC ZINC000595049521 1035569313 /nfs/dbraw/zinc/56/93/13/1035569313.db2.gz CPVXMBWMALLPPL-CQSZACIVSA-N 1 0 326.440 4.447 20 30 EIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2(C#N)CCCCC2)c1C ZINC000595091620 1035596534 /nfs/dbraw/zinc/59/65/34/1035596534.db2.gz SCSKZPLDMPDGDC-MRXNPFEDSA-N 1 0 327.472 4.084 20 30 EIEDRO N#CC1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000595091236 1035597858 /nfs/dbraw/zinc/59/78/58/1035597858.db2.gz OJTSLBRCHFYFGU-WKCHPHFGSA-N 1 0 337.511 4.246 20 30 EIEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)c2ccccc21 ZINC000595090214 1035599078 /nfs/dbraw/zinc/59/90/78/1035599078.db2.gz FZORMLIBQFCPNV-MOPGFXCFSA-N 1 0 340.467 4.232 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC000595416476 1035672128 /nfs/dbraw/zinc/67/21/28/1035672128.db2.gz YIMRFIHGXPJPFE-INIZCTEOSA-N 1 0 340.492 4.190 20 30 EIEDRO C[C@H](N[C@H](C#N)c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595430694 1035676483 /nfs/dbraw/zinc/67/64/83/1035676483.db2.gz KOHBAILXDNLRPW-URLQWDBASA-N 1 0 331.891 4.147 20 30 EIEDRO N#Cc1ccc(CC[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000595481685 1035679395 /nfs/dbraw/zinc/67/93/95/1035679395.db2.gz FMMDACVOHLSVRL-SFHVURJKSA-N 1 0 349.261 4.121 20 30 EIEDRO Cc1nc2ccccc2n1C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595464245 1035683978 /nfs/dbraw/zinc/68/39/78/1035683978.db2.gz HLNKYYVYTJGYNK-UHFFFAOYSA-N 1 0 344.462 4.096 20 30 EIEDRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)c1 ZINC000595518537 1035692409 /nfs/dbraw/zinc/69/24/09/1035692409.db2.gz BHDNVBOJUIQXHJ-INIZCTEOSA-N 1 0 345.368 4.270 20 30 EIEDRO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614397 1035749288 /nfs/dbraw/zinc/74/92/88/1035749288.db2.gz HJMZHALZFUXEJE-RCCFBDPRSA-N 1 0 349.478 4.031 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cccc(F)c3Cl)CCOCC2)c1 ZINC000595769003 1035778927 /nfs/dbraw/zinc/77/89/27/1035778927.db2.gz NJMIRTUNARVBMC-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595789229 1035793117 /nfs/dbraw/zinc/79/31/17/1035793117.db2.gz PTZBIDATKCLALP-FQEVSTJZSA-N 1 0 326.484 4.269 20 30 EIEDRO [NH3+]Cc1cccc(NC2=C(c3ccccc3)C(=O)c3ccccc32)c1 ZINC001168408309 1035800634 /nfs/dbraw/zinc/80/06/34/1035800634.db2.gz UOCNJIUGXFBYSJ-UHFFFAOYSA-N 1 0 326.399 4.322 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595828323 1035800873 /nfs/dbraw/zinc/80/08/73/1035800873.db2.gz JZWMHHDDLIZYBE-CQSZACIVSA-N 1 0 329.271 4.336 20 30 EIEDRO CCC(CC)CCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595829828 1035801561 /nfs/dbraw/zinc/80/15/61/1035801561.db2.gz IMBWSYACWBPBRM-UHFFFAOYSA-N 1 0 326.444 4.256 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cc1 ZINC000595880227 1035803165 /nfs/dbraw/zinc/80/31/65/1035803165.db2.gz ZTFHKDISRGZTFL-UHFFFAOYSA-N 1 0 330.431 4.193 20 30 EIEDRO N#CCN1CCC([NH2+][C@H]2CCCCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000586790006 1035847541 /nfs/dbraw/zinc/84/75/41/1035847541.db2.gz YXPOKVABKPJSOF-UXHICEINSA-N 1 0 345.918 4.334 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H](C)c1ccccc1 ZINC000586790608 1035848391 /nfs/dbraw/zinc/84/83/91/1035848391.db2.gz MKVPBPJPJBVLOQ-ZWKOTPCHSA-N 1 0 333.479 4.309 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000485453024 1035882450 /nfs/dbraw/zinc/88/24/50/1035882450.db2.gz IOKVPSAYQRLVBX-KRWDZBQOSA-N 1 0 346.540 4.349 20 30 EIEDRO C=CCSc1ccccc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000485462781 1035896941 /nfs/dbraw/zinc/89/69/41/1035896941.db2.gz OCKWXYRBUNJTQT-SFHVURJKSA-N 1 0 346.540 4.205 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC000597178252 1036148927 /nfs/dbraw/zinc/14/89/27/1036148927.db2.gz WQIXXFJPWLQIEP-GFCCVEGCSA-N 1 0 333.229 4.321 20 30 EIEDRO CC[C@@H](C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000597212504 1036155723 /nfs/dbraw/zinc/15/57/23/1036155723.db2.gz UZCNIMIVJQSRAZ-IBGZPJMESA-N 1 0 334.463 4.347 20 30 EIEDRO C[C@@H](C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)Cc1ccccc1 ZINC000597213014 1036156797 /nfs/dbraw/zinc/15/67/97/1036156797.db2.gz YSOHTFXHVUEPFE-GOSISDBHSA-N 1 0 334.463 4.032 20 30 EIEDRO N#CCCn1cc(C[N@H+](CCC2CC2)CC2CC2)c(-c2ccccc2)n1 ZINC000597233736 1036165265 /nfs/dbraw/zinc/16/52/65/1036165265.db2.gz OJWIDRXXPCYYFU-UHFFFAOYSA-N 1 0 348.494 4.476 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1O ZINC000164520252 1036168308 /nfs/dbraw/zinc/16/83/08/1036168308.db2.gz LZLGKYGUPAPDCQ-HXUWFJFHSA-N 1 0 338.451 4.170 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCC[C@H](SC)C2)ccc1OC ZINC000237181132 1036228633 /nfs/dbraw/zinc/22/86/33/1036228633.db2.gz GXNFFMVFERYMEM-IRXDYDNUSA-N 1 0 335.513 4.414 20 30 EIEDRO C=CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000502471346 1036230814 /nfs/dbraw/zinc/23/08/14/1036230814.db2.gz YQOFOWKOOQEHQJ-INIZCTEOSA-N 1 0 326.415 4.149 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421345777 1036290888 /nfs/dbraw/zinc/29/08/88/1036290888.db2.gz BDOWZBFWMNAFEM-AWEZNQCLSA-N 1 0 341.480 4.250 20 30 EIEDRO C=CCC1([NH2+]C[C@H](C)c2cccc(Br)c2)CCOCC1 ZINC000668552483 1036291192 /nfs/dbraw/zinc/29/11/92/1036291192.db2.gz MZRPJJXLWCZCIO-AWEZNQCLSA-N 1 0 338.289 4.268 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000421349812 1036292223 /nfs/dbraw/zinc/29/22/23/1036292223.db2.gz JOINDUFJZNNEHM-SUMWQHHRSA-N 1 0 341.436 4.029 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000588232186 1036306036 /nfs/dbraw/zinc/30/60/36/1036306036.db2.gz RTDQOVHNOXBIQE-OAHLLOKOSA-N 1 0 339.252 4.495 20 30 EIEDRO N#Cc1ccc(C[NH2+]C23CCC(C(F)(F)F)(CC2)CC3)cc1F ZINC000421400639 1036337309 /nfs/dbraw/zinc/33/73/09/1036337309.db2.gz VIOBBVHMNSXHRW-UHFFFAOYSA-N 1 0 326.337 4.442 20 30 EIEDRO C[C@H](CCC#N)C[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000602450302 1036450367 /nfs/dbraw/zinc/45/03/67/1036450367.db2.gz WVOXACMPFMIGSS-OAHLLOKOSA-N 1 0 328.435 4.020 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000602501024 1036460142 /nfs/dbraw/zinc/46/01/42/1036460142.db2.gz CEBKSAKAONSLEL-KBXCAEBGSA-N 1 0 332.875 4.480 20 30 EIEDRO Cc1ccc(C(=O)Nc2cccc(C[NH2+]C3CCC(C#N)CC3)c2)cc1 ZINC000602517111 1036474068 /nfs/dbraw/zinc/47/40/68/1036474068.db2.gz CGLFBYQCVNJTHX-UHFFFAOYSA-N 1 0 347.462 4.419 20 30 EIEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000486118109 1036483876 /nfs/dbraw/zinc/48/38/76/1036483876.db2.gz RXOTUYKEPXMUTC-HXUWFJFHSA-N 1 0 333.435 4.032 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000602570486 1036500357 /nfs/dbraw/zinc/50/03/57/1036500357.db2.gz ACZKHRPLTHYBTQ-RBSFLKMASA-N 1 0 332.410 4.044 20 30 EIEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]C[C@@H](C)CCC#N ZINC000602581331 1036510045 /nfs/dbraw/zinc/51/00/45/1036510045.db2.gz IBQSOWQQXBJVCR-NWDGAFQWSA-N 1 0 327.241 4.049 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000602623585 1036524727 /nfs/dbraw/zinc/52/47/27/1036524727.db2.gz LNRYKOWNWKDODY-GOEBONIOSA-N 1 0 340.389 4.021 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000602610225 1036525854 /nfs/dbraw/zinc/52/58/54/1036525854.db2.gz HMMAOJMRTNECGL-DOTOQJQBSA-N 1 0 339.508 4.445 20 30 EIEDRO N#CC1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000602645238 1036537349 /nfs/dbraw/zinc/53/73/49/1036537349.db2.gz QSKOPYVNACCZJU-QHAMSDLMSA-N 1 0 346.780 4.064 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1C ZINC000602650638 1036540787 /nfs/dbraw/zinc/54/07/87/1036540787.db2.gz FBFLUDUNTYDPRS-GOSISDBHSA-N 1 0 349.478 4.325 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1C ZINC000602650639 1036541468 /nfs/dbraw/zinc/54/14/68/1036541468.db2.gz FBFLUDUNTYDPRS-SFHVURJKSA-N 1 0 349.478 4.325 20 30 EIEDRO N#CCCC[C@@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)c1ccccc1 ZINC000602672770 1036551148 /nfs/dbraw/zinc/55/11/48/1036551148.db2.gz ZTKWFLTZRISDRN-RTBURBONSA-N 1 0 337.471 4.451 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000602672130 1036552444 /nfs/dbraw/zinc/55/24/44/1036552444.db2.gz OBBFSLSBJVVFIE-FZKQIMNGSA-N 1 0 334.410 4.031 20 30 EIEDRO CC(C)c1ccc(O[C@@H](C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602654123 1036553569 /nfs/dbraw/zinc/55/35/69/1036553569.db2.gz JSFFOVPJPSKIKJ-ROUUACIJSA-N 1 0 344.499 4.266 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602671835 1036554353 /nfs/dbraw/zinc/55/43/53/1036554353.db2.gz KHGSLSBIQCLDQK-CKEIUWERSA-N 1 0 340.389 4.407 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2c(F)cccc2F)CCC1 ZINC000602692550 1036566556 /nfs/dbraw/zinc/56/65/56/1036566556.db2.gz XZQQNNZKJLSWKQ-HNNXBMFYSA-N 1 0 348.437 4.075 20 30 EIEDRO N#CC1CCC([NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000602703319 1036575118 /nfs/dbraw/zinc/57/51/18/1036575118.db2.gz YDNCMBQOLFEGJU-UHFFFAOYSA-N 1 0 327.653 4.274 20 30 EIEDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)c2ccccc21 ZINC000602712366 1036587907 /nfs/dbraw/zinc/58/79/07/1036587907.db2.gz NBPYSTWPJACQCB-BURPLHJFSA-N 1 0 340.467 4.229 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CSCc2ccc(Br)cc21 ZINC000602712451 1036588402 /nfs/dbraw/zinc/58/84/02/1036588402.db2.gz WRABKHWCBFACSB-NHYWBVRUSA-N 1 0 339.302 4.266 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000588929593 1036605814 /nfs/dbraw/zinc/60/58/14/1036605814.db2.gz YPSVLFPDIUUDIY-UHFFFAOYSA-N 1 0 330.863 4.004 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000588960033 1036621311 /nfs/dbraw/zinc/62/13/11/1036621311.db2.gz XVJKYQNSHINYAD-CEMLEFRQSA-N 1 0 332.447 4.446 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000588961665 1036626152 /nfs/dbraw/zinc/62/61/52/1036626152.db2.gz SOGGSCGOTMFGJU-MDZLAQPJSA-N 1 0 325.225 4.321 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602884077 1036660930 /nfs/dbraw/zinc/66/09/30/1036660930.db2.gz BJDOVPUVTQYXAU-DNVCBOLYSA-N 1 0 328.419 4.052 20 30 EIEDRO CC(C)O[C@@H](C[NH+]1CCC(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000602906369 1036661178 /nfs/dbraw/zinc/66/11/78/1036661178.db2.gz GSGNTTQYCUEZOE-QFIPXVFZSA-N 1 0 349.478 4.299 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602884083 1036661386 /nfs/dbraw/zinc/66/13/86/1036661386.db2.gz BJDOVPUVTQYXAU-KXBFYZLASA-N 1 0 328.419 4.052 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000164645181 1036690911 /nfs/dbraw/zinc/69/09/11/1036690911.db2.gz SEVICUDLESWYAZ-LBPRGKRZSA-N 1 0 338.245 4.439 20 30 EIEDRO C=CCOc1cccc(C[NH2+]CCCc2nc3c(s2)CCCC3)c1 ZINC000589156151 1036697770 /nfs/dbraw/zinc/69/77/70/1036697770.db2.gz RYINMDKPVJRESY-UHFFFAOYSA-N 1 0 342.508 4.309 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](C4CCC4)CC3)o2)c1 ZINC000603000130 1036698904 /nfs/dbraw/zinc/69/89/04/1036698904.db2.gz VSOSWJPUIRXYCH-KRWDZBQOSA-N 1 0 336.439 4.010 20 30 EIEDRO CC(C)[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1F ZINC000598604002 1036705603 /nfs/dbraw/zinc/70/56/03/1036705603.db2.gz NJBNOFHAJBPZMF-CZUORRHYSA-N 1 0 326.843 4.067 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000598585093 1036706005 /nfs/dbraw/zinc/70/60/05/1036706005.db2.gz RKSREIPVFYMQOD-DYVFJYSZSA-N 1 0 346.521 4.058 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000598603484 1036706280 /nfs/dbraw/zinc/70/62/80/1036706280.db2.gz UKYOQROTZBMIIY-SFTDATJTSA-N 1 0 336.479 4.251 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000598586264 1036706459 /nfs/dbraw/zinc/70/64/59/1036706459.db2.gz RMYXSSCKEASSIT-CQSZACIVSA-N 1 0 341.282 4.259 20 30 EIEDRO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598585520 1036706766 /nfs/dbraw/zinc/70/67/66/1036706766.db2.gz FQIOLWGGLTXOPF-ZDUSSCGKSA-N 1 0 329.271 4.116 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000598590795 1036710841 /nfs/dbraw/zinc/71/08/41/1036710841.db2.gz PJRAJLGOWDWEIW-HXUWFJFHSA-N 1 0 340.442 4.129 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000598596838 1036713428 /nfs/dbraw/zinc/71/34/28/1036713428.db2.gz MKCUIEDUQGECJG-UNMCSNQZSA-N 1 0 348.490 4.129 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000589268762 1036726628 /nfs/dbraw/zinc/72/66/28/1036726628.db2.gz ZHAJBKAJCDVBKV-SFHVURJKSA-N 1 0 342.508 4.399 20 30 EIEDRO CC(C)([NH2+]Cc1ccnn1CCc1ccccc1)c1cccc(C#N)c1 ZINC000598650827 1036737937 /nfs/dbraw/zinc/73/79/37/1036737937.db2.gz PIQSEAVSSHDIQU-UHFFFAOYSA-N 1 0 344.462 4.022 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CCCCCC3)nc1)CC2 ZINC000589336406 1036739718 /nfs/dbraw/zinc/73/97/18/1036739718.db2.gz CPZMEJDQZLLLKQ-NRFANRHFSA-N 1 0 346.478 4.111 20 30 EIEDRO N#Cc1csc(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)n1 ZINC000589317854 1036745204 /nfs/dbraw/zinc/74/52/04/1036745204.db2.gz RQVBSAOGRCMVCG-UHFFFAOYSA-N 1 0 347.487 4.206 20 30 EIEDRO C[C@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598718523 1036759674 /nfs/dbraw/zinc/75/96/74/1036759674.db2.gz FZINVQYVIWKXLK-CJNGLKHVSA-N 1 0 342.405 4.089 20 30 EIEDRO C[C@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598718524 1036760189 /nfs/dbraw/zinc/76/01/89/1036760189.db2.gz FZINVQYVIWKXLK-CZUORRHYSA-N 1 0 342.405 4.089 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000598724801 1036761805 /nfs/dbraw/zinc/76/18/05/1036761805.db2.gz QZMUZYDBQSSTDV-MGPQQGTHSA-N 1 0 341.282 4.130 20 30 EIEDRO C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCCCC1 ZINC000589497004 1036802649 /nfs/dbraw/zinc/80/26/49/1036802649.db2.gz BKSBLAHPLVBNML-ZDUSSCGKSA-N 1 0 340.389 4.093 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)ccc1C#N ZINC000593630409 1036803746 /nfs/dbraw/zinc/80/37/46/1036803746.db2.gz NFYQYZGIJDDWBW-HNNXBMFYSA-N 1 0 330.790 4.136 20 30 EIEDRO C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC000603443654 1036835081 /nfs/dbraw/zinc/83/50/81/1036835081.db2.gz XAHNBWFSLJSNPK-UHFFFAOYSA-N 1 0 334.341 4.088 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC2CCC(C#N)CC2)s1 ZINC000598979194 1036838748 /nfs/dbraw/zinc/83/87/48/1036838748.db2.gz LISIIDGGLUBKGF-UHFFFAOYSA-N 1 0 334.485 4.123 20 30 EIEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000486794624 1036857375 /nfs/dbraw/zinc/85/73/75/1036857375.db2.gz DMQMABPUJDBPRO-WBMJQRKESA-N 1 0 333.501 4.076 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2Cc3ccccc3CO2)CC1 ZINC000599057533 1036864559 /nfs/dbraw/zinc/86/45/59/1036864559.db2.gz GHTIYTBBNWPWIM-KOENEWCDSA-N 1 0 346.474 4.122 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000589740851 1036869802 /nfs/dbraw/zinc/86/98/02/1036869802.db2.gz FAHNSAFJBNSCED-UHFFFAOYSA-N 1 0 345.487 4.072 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000589738936 1036872862 /nfs/dbraw/zinc/87/28/62/1036872862.db2.gz FYZFVYGVHYZFMD-IRXDYDNUSA-N 1 0 345.487 4.026 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2cc(F)ccc2O1 ZINC000593673744 1036873028 /nfs/dbraw/zinc/87/30/28/1036873028.db2.gz ISWKLSIFHYFRRC-QGZVFWFLSA-N 1 0 328.362 4.228 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)[C@@H](C)c1ccccc1 ZINC000593702351 1036909812 /nfs/dbraw/zinc/90/98/12/1036909812.db2.gz LSWHCEIOIDXESL-RTBURBONSA-N 1 0 347.506 4.304 20 30 EIEDRO CC(C)(CNC(=[NH2+])Nc1ccccn1)c1c(Cl)cccc1Cl ZINC000170915103 1036927812 /nfs/dbraw/zinc/92/78/12/1036927812.db2.gz DIIDWGQRYDCJOU-UHFFFAOYSA-N 1 0 337.254 4.093 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(C)o1 ZINC000593721030 1036932900 /nfs/dbraw/zinc/93/29/00/1036932900.db2.gz JIZLEJNMBPYWHT-INIZCTEOSA-N 1 0 337.467 4.083 20 30 EIEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)c1 ZINC000165756350 1036940095 /nfs/dbraw/zinc/94/00/95/1036940095.db2.gz XIEWJSJSVBFDMJ-HXUWFJFHSA-N 1 0 333.435 4.032 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1C#N ZINC000599328734 1036954252 /nfs/dbraw/zinc/95/42/52/1036954252.db2.gz SRZCENVNAHAMMH-UHFFFAOYSA-N 1 0 330.435 4.123 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000599348219 1036964452 /nfs/dbraw/zinc/96/44/52/1036964452.db2.gz DEVDLMCTBDHVHM-SJLPKXTDSA-N 1 0 336.435 4.184 20 30 EIEDRO CC(C)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000599353494 1036967022 /nfs/dbraw/zinc/96/70/22/1036967022.db2.gz HWTCZOLQSAOVJB-HOTGVXAUSA-N 1 0 340.389 4.047 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000590068441 1036972331 /nfs/dbraw/zinc/97/23/31/1036972331.db2.gz QBWXDSPLMGXZNA-SFHVURJKSA-N 1 0 347.443 4.475 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCCC34CCCC4)CC2)nc1 ZINC000590243049 1037018891 /nfs/dbraw/zinc/01/88/91/1037018891.db2.gz ONIOHQHTIDMRBK-IBGZPJMESA-N 1 0 338.499 4.015 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000271823947 1037025222 /nfs/dbraw/zinc/02/52/22/1037025222.db2.gz CUUXPMWDFMCMBA-SJLPKXTDSA-N 1 0 328.456 4.121 20 30 EIEDRO CCCCC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC000603845766 1037038870 /nfs/dbraw/zinc/03/88/70/1037038870.db2.gz QKWOUZKNNUUWCU-UHFFFAOYSA-N 1 0 343.515 4.451 20 30 EIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000271918299 1037051361 /nfs/dbraw/zinc/05/13/61/1037051361.db2.gz ZHYKRAGNCNEQGB-KUHUBIRLSA-N 1 0 344.842 4.281 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000271918302 1037052142 /nfs/dbraw/zinc/05/21/42/1037052142.db2.gz ZHYKRAGNCNEQGB-LIRRHRJNSA-N 1 0 344.842 4.281 20 30 EIEDRO CCC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC)cc1 ZINC000603925860 1037098274 /nfs/dbraw/zinc/09/82/74/1037098274.db2.gz CAVSNHTXWGVYLU-UHFFFAOYSA-N 1 0 333.435 4.232 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000057555226 1037108939 /nfs/dbraw/zinc/10/89/39/1037108939.db2.gz DPBHBHRQVSWZAG-HZPDHXFCSA-N 1 0 343.430 4.389 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599678454 1037129781 /nfs/dbraw/zinc/12/97/81/1037129781.db2.gz RBZOOYPDOIDKCM-UHFFFAOYSA-N 1 0 329.447 4.112 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1C#N ZINC000599685198 1037130590 /nfs/dbraw/zinc/13/05/90/1037130590.db2.gz YHYZLLJNTUNBBG-GOSISDBHSA-N 1 0 349.261 4.387 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000590750792 1037153539 /nfs/dbraw/zinc/15/35/39/1037153539.db2.gz ZIXULNSQSASVHT-VAMGGRTRSA-N 1 0 326.484 4.003 20 30 EIEDRO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)c(C)c1 ZINC000604080887 1037185463 /nfs/dbraw/zinc/18/54/63/1037185463.db2.gz JLHREPZEARLBOD-LJQANCHMSA-N 1 0 349.478 4.243 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272642974 1037259327 /nfs/dbraw/zinc/25/93/27/1037259327.db2.gz XVJYTKLZEGARCF-UHFFFAOYSA-N 1 0 329.444 4.159 20 30 EIEDRO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000591016934 1037261416 /nfs/dbraw/zinc/26/14/16/1037261416.db2.gz AEECWXNRHQFRLD-PXNSSMCTSA-N 1 0 342.483 4.128 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000591051102 1037271977 /nfs/dbraw/zinc/27/19/77/1037271977.db2.gz CGJHPABPODCZCG-OAQYLSRUSA-N 1 0 332.447 4.220 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@H](O)COc1ccccc1C(C)C ZINC000057950502 1037320544 /nfs/dbraw/zinc/32/05/44/1037320544.db2.gz UAIPRVYZXSZISD-KRWDZBQOSA-N 1 0 345.508 4.299 20 30 EIEDRO Cc1ccc2ncc(C#N)c(N3CCC[C@H]([N@H+]4[C@H](C)CC[C@@H]4C)C3)c2c1 ZINC000488052810 1037347878 /nfs/dbraw/zinc/34/78/78/1037347878.db2.gz CHRFXQVAGFWTFH-SCTDSRPQSA-N 1 0 348.494 4.257 20 30 EIEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000604417900 1037384528 /nfs/dbraw/zinc/38/45/28/1037384528.db2.gz KQKGMWNABQCUKI-AWEZNQCLSA-N 1 0 343.268 4.432 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000591348973 1037391176 /nfs/dbraw/zinc/39/11/76/1037391176.db2.gz VEJIZOSBIZKPNR-SJCJKPOMSA-N 1 0 333.391 4.133 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000488182090 1037399414 /nfs/dbraw/zinc/39/94/14/1037399414.db2.gz LHHMPSPNYMOFEZ-QGZVFWFLSA-N 1 0 335.451 4.106 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488294675 1037490768 /nfs/dbraw/zinc/49/07/68/1037490768.db2.gz HNIKBSLYKJBCLW-LEWJYISDSA-N 1 0 338.426 4.358 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000591709901 1037556339 /nfs/dbraw/zinc/55/63/39/1037556339.db2.gz ZPLGACUGBHBQMW-NQIIRXRSSA-N 1 0 336.479 4.177 20 30 EIEDRO C=C[C@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000488392187 1037561806 /nfs/dbraw/zinc/56/18/06/1037561806.db2.gz ZMPXLJLJIBIVHW-FQEVSTJZSA-N 1 0 341.499 4.287 20 30 EIEDRO Cc1ccc(-c2ccc(C[NH2+]Cc3ccc(OCC#N)cc3)o2)cc1 ZINC000171769431 1037659537 /nfs/dbraw/zinc/65/95/37/1037659537.db2.gz YWPANVHRNIGSOU-UHFFFAOYSA-N 1 0 332.403 4.447 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cccc3c2NCCC3)c1 ZINC000894272511 1037712677 /nfs/dbraw/zinc/71/26/77/1037712677.db2.gz CLEBGVDMFINWBI-IBGZPJMESA-N 1 0 335.451 4.015 20 30 EIEDRO CC(C)(C#N)CCCC[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139790 1037740274 /nfs/dbraw/zinc/74/02/74/1037740274.db2.gz XTEDJSZWNPZTEW-HXUWFJFHSA-N 1 0 328.500 4.370 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1csc(C)c1 ZINC000592186339 1037745419 /nfs/dbraw/zinc/74/54/19/1037745419.db2.gz CNSMDAXRUYBTHC-GOSISDBHSA-N 1 0 341.480 4.044 20 30 EIEDRO N#CCCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000592363572 1037773689 /nfs/dbraw/zinc/77/36/89/1037773689.db2.gz UOWSPVOWLOVSQL-UHFFFAOYSA-N 1 0 330.378 4.327 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2CCC(C)C)CC1 ZINC000592339807 1037780582 /nfs/dbraw/zinc/78/05/82/1037780582.db2.gz CKWHWLBHHFUNGI-UHFFFAOYSA-N 1 0 343.515 4.437 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000488849815 1037784295 /nfs/dbraw/zinc/78/42/95/1037784295.db2.gz FGUFZHRNZVUNNF-MSOLQXFVSA-N 1 0 340.511 4.133 20 30 EIEDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000592380297 1037791944 /nfs/dbraw/zinc/79/19/44/1037791944.db2.gz QMHJQGPWYFKHQN-MGPUTAFESA-N 1 0 338.476 4.121 20 30 EIEDRO CC[C@H]1C[C@@H](C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCO1 ZINC000503603454 1037834587 /nfs/dbraw/zinc/83/45/87/1037834587.db2.gz TYDATYRBZIUJNN-VHBXLISGSA-N 1 0 342.483 4.043 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000172115567 1037857598 /nfs/dbraw/zinc/85/75/98/1037857598.db2.gz OBTXUKLTPRIABU-IBGZPJMESA-N 1 0 341.838 4.356 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1OC ZINC000605827154 1037863334 /nfs/dbraw/zinc/86/33/34/1037863334.db2.gz ANTCXOFATRAHAC-FQEVSTJZSA-N 1 0 337.463 4.371 20 30 EIEDRO C[NH+](C)Cc1ccc(-c2cccc(C3(C#N)CCOCC3)c2)cc1F ZINC000592987582 1037896483 /nfs/dbraw/zinc/89/64/83/1037896483.db2.gz YASGLRPNERRLLW-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO Cc1ccccc1-n1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000592368580 1037902092 /nfs/dbraw/zinc/90/20/92/1037902092.db2.gz YHBIATUWRACNTC-OAQYLSRUSA-N 1 0 342.446 4.220 20 30 EIEDRO Cc1ccccc1-n1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000592368579 1037902690 /nfs/dbraw/zinc/90/26/90/1037902690.db2.gz YHBIATUWRACNTC-NRFANRHFSA-N 1 0 342.446 4.220 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000489280543 1037923433 /nfs/dbraw/zinc/92/34/33/1037923433.db2.gz NJCBOLRYCFHQLM-IBGZPJMESA-N 1 0 343.515 4.032 20 30 EIEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1COCc1ccccc1 ZINC000912401367 1037978990 /nfs/dbraw/zinc/97/89/90/1037978990.db2.gz MZAWAPFGTJNWOO-IBGZPJMESA-N 1 0 338.451 4.026 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](CCO)c1ccccc1F ZINC000592403301 1038004868 /nfs/dbraw/zinc/00/48/68/1038004868.db2.gz OCEZBVBNJSXMGN-SFTDATJTSA-N 1 0 338.426 4.178 20 30 EIEDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)cc1F ZINC000503914636 1038014665 /nfs/dbraw/zinc/01/46/65/1038014665.db2.gz TWHWGFXPHAXNMP-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO CC(C)c1ccc([C@@H](N)C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000423250833 1038079547 /nfs/dbraw/zinc/07/95/47/1038079547.db2.gz VPVHPJVEJYXFCN-XOBRGWDASA-N 1 0 325.431 4.171 20 30 EIEDRO COc1cc(OC)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1F ZINC000593630623 1038110941 /nfs/dbraw/zinc/11/09/41/1038110941.db2.gz XMIUKADVTINBMO-SFHVURJKSA-N 1 0 342.414 4.368 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695377 1038132558 /nfs/dbraw/zinc/13/25/58/1038132558.db2.gz MMDRCASIVDAAPC-SFHVURJKSA-N 1 0 325.500 4.247 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c1F ZINC000594019288 1038211997 /nfs/dbraw/zinc/21/19/97/1038211997.db2.gz JAHAJHGZGYLLRM-UHFFFAOYSA-N 1 0 346.409 4.020 20 30 EIEDRO CCc1csc(CC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)n1 ZINC000594019101 1038236461 /nfs/dbraw/zinc/23/64/61/1038236461.db2.gz GLXRQIVUGVSSIG-UHFFFAOYSA-N 1 0 339.508 4.226 20 30 EIEDRO C[N@H+](CC(=O)Nc1ccccc1SCC#N)C1CCCCCCC1 ZINC000173274085 1038246898 /nfs/dbraw/zinc/24/68/98/1038246898.db2.gz XDSUDFIIRBDLJI-UHFFFAOYSA-N 1 0 345.512 4.285 20 30 EIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000157899422 1038249476 /nfs/dbraw/zinc/24/94/76/1038249476.db2.gz IILWRUZVIWQKLT-AWEZNQCLSA-N 1 0 329.875 4.302 20 30 EIEDRO CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000594430721 1038332181 /nfs/dbraw/zinc/33/21/81/1038332181.db2.gz BMKBLGMCQWPMRN-RDJZCZTQSA-N 1 0 341.455 4.144 20 30 EIEDRO CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594434895 1038332668 /nfs/dbraw/zinc/33/26/68/1038332668.db2.gz VUUQGNQNZTVBEX-ZDUSSCGKSA-N 1 0 339.892 4.190 20 30 EIEDRO CC(C)Sc1ccc(Cl)cc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594434894 1038333470 /nfs/dbraw/zinc/33/34/70/1038333470.db2.gz VUUQGNQNZTVBEX-CYBMUJFWSA-N 1 0 339.892 4.190 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000594494817 1038346043 /nfs/dbraw/zinc/34/60/43/1038346043.db2.gz IBVMIUOMGGKFKX-LJQANCHMSA-N 1 0 333.479 4.104 20 30 EIEDRO Cc1nc2ccccc2n1CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494382 1038346886 /nfs/dbraw/zinc/34/68/86/1038346886.db2.gz YYUDRMAOVQLBKM-UHFFFAOYSA-N 1 0 346.478 4.326 20 30 EIEDRO CC(C)c1nc(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cs1 ZINC000594502559 1038348024 /nfs/dbraw/zinc/34/80/24/1038348024.db2.gz LCRNEPMJTKFEEV-UHFFFAOYSA-N 1 0 327.497 4.400 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499526 1038348557 /nfs/dbraw/zinc/34/85/57/1038348557.db2.gz DWOICNROWFMAOY-UHFFFAOYSA-N 1 0 330.472 4.089 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000594512882 1038359262 /nfs/dbraw/zinc/35/92/62/1038359262.db2.gz SJYHPYIMBMMVAZ-UTZODRGISA-N 1 0 338.495 4.328 20 30 EIEDRO C[NH+](C)[C@@H]1CCOc2c(NCc3ccc(C(C)(C)C#N)cc3)cccc21 ZINC000594522651 1038363544 /nfs/dbraw/zinc/36/35/44/1038363544.db2.gz MRRXVGJUNPHBEX-HXUWFJFHSA-N 1 0 349.478 4.485 20 30 EIEDRO CC(C)c1[nH+]c(CNC2(c3ccc(C#N)cc3)CCC2)c2ccccn21 ZINC000594625185 1038381207 /nfs/dbraw/zinc/38/12/07/1038381207.db2.gz RVFGLSFVXVAZBU-UHFFFAOYSA-N 1 0 344.462 4.498 20 30 EIEDRO C#CCCCCCC[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001168405087 1038389791 /nfs/dbraw/zinc/38/97/91/1038389791.db2.gz WTYJBYIJZCQKOH-FHWLQOOXSA-N 1 0 348.531 4.195 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCCC1 ZINC000063493747 1038394512 /nfs/dbraw/zinc/39/45/12/1038394512.db2.gz REXLIAJGCGMNLW-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO CCN(Cc1cccc(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000063510854 1038410377 /nfs/dbraw/zinc/41/03/77/1038410377.db2.gz MDINRBMOCMKHIF-AVRDEDQJSA-N 1 0 333.479 4.216 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccnc(OC4CCCC4)c3)cc2)CC1 ZINC000594914440 1038421333 /nfs/dbraw/zinc/42/13/33/1038421333.db2.gz IJMRVJKDEVLJPQ-UHFFFAOYSA-N 1 0 347.462 4.248 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3nc4ccccc4s3)cc2)CC1 ZINC000594915701 1038424385 /nfs/dbraw/zinc/42/43/85/1038424385.db2.gz BFPHREMVXFPCOV-UHFFFAOYSA-N 1 0 333.460 4.184 20 30 EIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594914142 1038424575 /nfs/dbraw/zinc/42/45/75/1038424575.db2.gz DKQSYNFUSFYHCO-HNNXBMFYSA-N 1 0 333.435 4.051 20 30 EIEDRO Cc1ccc2c(CC[NH2+]Cc3ccc(C4(C#N)CC4)cc3)c[nH]c2c1 ZINC000594921378 1038424650 /nfs/dbraw/zinc/42/46/50/1038424650.db2.gz CGIXVXKEXFMDAM-UHFFFAOYSA-N 1 0 329.447 4.364 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3cccc4cccnc43)cc2)CC1 ZINC000594915299 1038425442 /nfs/dbraw/zinc/42/54/42/1038425442.db2.gz SDMPBKOUTUXNAQ-UHFFFAOYSA-N 1 0 327.431 4.122 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3cccc(Br)c3)cc2)CC1 ZINC000594926978 1038431277 /nfs/dbraw/zinc/43/12/77/1038431277.db2.gz PTHGZRHZELEJAL-UHFFFAOYSA-N 1 0 341.252 4.294 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)CCc2ccc(C)o2)cc(OC)c1O ZINC000608065150 1038479761 /nfs/dbraw/zinc/47/97/61/1038479761.db2.gz UNZMDNSPVRMCQW-AWEZNQCLSA-N 1 0 329.440 4.142 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000594954519 1038512116 /nfs/dbraw/zinc/51/21/16/1038512116.db2.gz HCAYOLGBWCXHFC-LLVKDONJSA-N 1 0 335.270 4.276 20 30 EIEDRO C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000594945311 1038514274 /nfs/dbraw/zinc/51/42/74/1038514274.db2.gz YOKRYUWUFUTPPU-MRXNPFEDSA-N 1 0 342.446 4.219 20 30 EIEDRO COC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(Cl)c1 ZINC000594951203 1038519489 /nfs/dbraw/zinc/51/94/89/1038519489.db2.gz BRTAMQWHFACKQY-LJQANCHMSA-N 1 0 340.854 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1038729751 /nfs/dbraw/zinc/72/97/51/1038729751.db2.gz BKQXOPQNAIWSGZ-KBXCAEBGSA-N 1 0 341.842 4.096 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000424297301 1038775110 /nfs/dbraw/zinc/77/51/10/1038775110.db2.gz QCQUMRFJDNDREU-WBAXXEDZSA-N 1 0 342.508 4.284 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(OCC)c(OCC)c1 ZINC000424300930 1038776551 /nfs/dbraw/zinc/77/65/51/1038776551.db2.gz YSPUEWKBMMIBGK-KSZLIROESA-N 1 0 333.472 4.116 20 30 EIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCCc2nc(C)sc21)C(C)C ZINC000480765323 1038790427 /nfs/dbraw/zinc/79/04/27/1038790427.db2.gz ZHFGQZSKMRLVJQ-WMZOPIPTSA-N 1 0 333.545 4.117 20 30 EIEDRO C[C@@H]([NH2+]CCC(C)(C)C(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000424317210 1038801429 /nfs/dbraw/zinc/80/14/29/1038801429.db2.gz DVZREAVUFFOTDH-CYBMUJFWSA-N 1 0 334.435 4.106 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000539089574 1038831497 /nfs/dbraw/zinc/83/14/97/1038831497.db2.gz FUWZCTFAVCFZCB-FQEVSTJZSA-N 1 0 342.527 4.335 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000174091477 1038841660 /nfs/dbraw/zinc/84/16/60/1038841660.db2.gz DJGZJCHKGLFHJA-KXBFYZLASA-N 1 0 349.434 4.099 20 30 EIEDRO C=C(CC)C[N@@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000539116195 1038845566 /nfs/dbraw/zinc/84/55/66/1038845566.db2.gz QGWIPLVCSSTNMP-UHFFFAOYSA-N 1 0 330.520 4.165 20 30 EIEDRO CC[N@H+](CC(C)(C)CCC#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000119031662 1038851549 /nfs/dbraw/zinc/85/15/49/1038851549.db2.gz AXLZADADQGSMSN-ICSRJNTNSA-N 1 0 327.516 4.474 20 30 EIEDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C#N)c1 ZINC000504926953 1038858992 /nfs/dbraw/zinc/85/89/92/1038858992.db2.gz LQOWFYGDUJQSCE-INIZCTEOSA-N 1 0 341.436 4.127 20 30 EIEDRO CC[N@H+](CCC1CCN(C(=O)C2(C#N)CCCCC2)CC1)CC(C)C ZINC000539136995 1038860418 /nfs/dbraw/zinc/86/04/18/1038860418.db2.gz FXCDNVVACHCOTI-UHFFFAOYSA-N 1 0 347.547 4.067 20 30 EIEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(-c2ccccc2)s1 ZINC000612570785 1038869968 /nfs/dbraw/zinc/86/99/68/1038869968.db2.gz AUQHZCTWOSPHSB-HNNXBMFYSA-N 1 0 325.481 4.054 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000505010905 1038885588 /nfs/dbraw/zinc/88/55/88/1038885588.db2.gz NJNSCPPTLWTUNC-UHFFFAOYSA-N 1 0 343.515 4.391 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000063915518 1038890371 /nfs/dbraw/zinc/89/03/71/1038890371.db2.gz SQKRXJRMNXGGOL-UHFFFAOYSA-N 1 0 334.463 4.111 20 30 EIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1OC ZINC000539252356 1038895976 /nfs/dbraw/zinc/89/59/76/1038895976.db2.gz JWVIDVCTYBYFIB-CQSZACIVSA-N 1 0 342.414 4.346 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1ccccc1C#N ZINC000608780144 1038896688 /nfs/dbraw/zinc/89/66/88/1038896688.db2.gz DRPZRXPSOOTLKH-UHFFFAOYSA-N 1 0 349.409 4.417 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000505038901 1038918402 /nfs/dbraw/zinc/91/84/02/1038918402.db2.gz LIVNMDVBMJSPIW-GOSISDBHSA-N 1 0 343.515 4.439 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539296627 1038946432 /nfs/dbraw/zinc/94/64/32/1038946432.db2.gz CLQJRVADMOGCHG-SJLPKXTDSA-N 1 0 343.442 4.240 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000174436197 1038958283 /nfs/dbraw/zinc/95/82/83/1038958283.db2.gz OASHUFHOWXZOIU-GOSISDBHSA-N 1 0 345.446 4.125 20 30 EIEDRO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000174565783 1038993418 /nfs/dbraw/zinc/99/34/18/1038993418.db2.gz GLCJTOIUJFCUKG-OAHLLOKOSA-N 1 0 341.430 4.035 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000539341610 1038998505 /nfs/dbraw/zinc/99/85/05/1038998505.db2.gz BIIHCCZVQAEJAE-MRXNPFEDSA-N 1 0 335.838 4.228 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424689659 1039013673 /nfs/dbraw/zinc/01/36/73/1039013673.db2.gz XGKXTSUHQTUYCX-MJGOQNOKSA-N 1 0 328.500 4.100 20 30 EIEDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000119956435 1039030221 /nfs/dbraw/zinc/03/02/21/1039030221.db2.gz WZZOLQUXJAVDGI-KXBFYZLASA-N 1 0 338.451 4.247 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000424710349 1039032204 /nfs/dbraw/zinc/03/22/04/1039032204.db2.gz PXFBRGMFJKIBKZ-QFIPXVFZSA-N 1 0 340.511 4.103 20 30 EIEDRO CC[N@H+](Cc1cc(Br)ccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000555334205 1039065522 /nfs/dbraw/zinc/06/55/22/1039065522.db2.gz PZWVNAQRFQZPPX-BXUZGUMPSA-N 1 0 325.225 4.102 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000552048591 1039070109 /nfs/dbraw/zinc/07/01/09/1039070109.db2.gz XNSKFFHUNSXCJP-IRXDYDNUSA-N 1 0 334.410 4.458 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000424767426 1039075999 /nfs/dbraw/zinc/07/59/99/1039075999.db2.gz LBJLHDCVQUEZSC-HKUYNNGSSA-N 1 0 328.500 4.006 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000552091496 1039118088 /nfs/dbraw/zinc/11/80/88/1039118088.db2.gz OVJAJAMBBNYWCB-HXUWFJFHSA-N 1 0 338.407 4.327 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1Cl ZINC000552129100 1039183730 /nfs/dbraw/zinc/18/37/30/1039183730.db2.gz BKPZXTIPOCIFDY-IBGZPJMESA-N 1 0 347.886 4.296 20 30 EIEDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665097 1039266952 /nfs/dbraw/zinc/26/69/52/1039266952.db2.gz IPPVUGANEUGKKJ-SFTDATJTSA-N 1 0 340.442 4.408 20 30 EIEDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665099 1039267300 /nfs/dbraw/zinc/26/73/00/1039267300.db2.gz IPPVUGANEUGKKJ-LEWJYISDSA-N 1 0 340.442 4.408 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC1CCN(Cc2csc(CC)n2)CC1)C1CC1 ZINC000121121434 1039312908 /nfs/dbraw/zinc/31/29/08/1039312908.db2.gz FBHIQFJMZKRCAT-LJQANCHMSA-N 1 0 347.572 4.252 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccco1 ZINC000552262103 1039320063 /nfs/dbraw/zinc/32/00/63/1039320063.db2.gz FZWXTRUJKAPSGT-CMKODMSKSA-N 1 0 329.415 4.182 20 30 EIEDRO N#CCCN(CCOC(c1ccccc1)c1ccccc1)CC1CC1 ZINC000478040419 1039345249 /nfs/dbraw/zinc/34/52/49/1039345249.db2.gz MBNNHPGCVWLHPJ-UHFFFAOYSA-N 1 0 334.463 4.418 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000600214136 1039376856 /nfs/dbraw/zinc/37/68/56/1039376856.db2.gz KVZIMSGPSWUSCR-LJQANCHMSA-N 1 0 336.435 4.064 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1 ZINC000091681833 1039381932 /nfs/dbraw/zinc/38/19/32/1039381932.db2.gz UUNYFJYGLBJEDB-QGZVFWFLSA-N 1 0 336.435 4.021 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000481446064 1039442002 /nfs/dbraw/zinc/44/20/02/1039442002.db2.gz RTMXGOMOARRLFJ-KZULUSFZSA-N 1 0 332.806 4.217 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(C4CCC4)cn3)CC2)cc1 ZINC000552406518 1039477471 /nfs/dbraw/zinc/47/74/71/1039477471.db2.gz APNDFTXXCLKEGX-UHFFFAOYSA-N 1 0 346.478 4.297 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000478193920 1039535998 /nfs/dbraw/zinc/53/59/98/1039535998.db2.gz GYQCTNJRWKJSKK-OAHLLOKOSA-N 1 0 346.261 4.234 20 30 EIEDRO C=C[C@@H](CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000534605577 1039597141 /nfs/dbraw/zinc/59/71/41/1039597141.db2.gz UYFZRFWDRIKZAF-UGKGYDQZSA-N 1 0 348.490 4.300 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000481590626 1039604258 /nfs/dbraw/zinc/60/42/58/1039604258.db2.gz FZBHVINYUMIXBV-LJQANCHMSA-N 1 0 328.362 4.122 20 30 EIEDRO C[C@@H](CCc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000514105268 1039614364 /nfs/dbraw/zinc/61/43/64/1039614364.db2.gz QHULCWUJLSTGBI-SFHVURJKSA-N 1 0 333.479 4.138 20 30 EIEDRO C[C@H](CCc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000514105267 1039615116 /nfs/dbraw/zinc/61/51/16/1039615116.db2.gz QHULCWUJLSTGBI-GOSISDBHSA-N 1 0 333.479 4.138 20 30 EIEDRO CCCO[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093317035 1039660698 /nfs/dbraw/zinc/66/06/98/1039660698.db2.gz RROBJQMOYOSHPH-IBGZPJMESA-N 1 0 330.472 4.150 20 30 EIEDRO C=CCC1(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000478347555 1039683220 /nfs/dbraw/zinc/68/32/20/1039683220.db2.gz WSUFCRBSBCCTCW-ICSRJNTNSA-N 1 0 340.511 4.150 20 30 EIEDRO CN1CC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)[C@@H]1c1ccccc1 ZINC000481657691 1039696970 /nfs/dbraw/zinc/69/69/70/1039696970.db2.gz NKNFHTHSECRKLY-VABKMULXSA-N 1 0 345.490 4.361 20 30 EIEDRO CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@@H]1CCCCc3cc(C#N)ccc31)CC2 ZINC000481675784 1039726502 /nfs/dbraw/zinc/72/65/02/1039726502.db2.gz IKCZVPJMKDESLG-PZJWPPBQSA-N 1 0 348.494 4.250 20 30 EIEDRO C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccccc1C ZINC000041635203 1039748551 /nfs/dbraw/zinc/74/85/51/1039748551.db2.gz DAAIZXKXLISYPZ-UHFFFAOYSA-N 1 0 344.252 4.059 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000060818787 1039759679 /nfs/dbraw/zinc/75/96/79/1039759679.db2.gz PLROWWQCBVAVSR-IBGZPJMESA-N 1 0 340.467 4.161 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(C)c(F)c2)ccc1OC ZINC000060927398 1039779479 /nfs/dbraw/zinc/77/94/79/1039779479.db2.gz JIJDWYUTGJWGEY-UHFFFAOYSA-N 1 0 329.415 4.387 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434673204 1039807953 /nfs/dbraw/zinc/80/79/53/1039807953.db2.gz PFMNPCXWWUGAQY-UHFFFAOYSA-N 1 0 328.504 4.119 20 30 EIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000550971777 1039849248 /nfs/dbraw/zinc/84/92/48/1039849248.db2.gz SSQJARHMUZLRLA-HXUWFJFHSA-N 1 0 336.435 4.085 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCC(C)(C)C#N ZINC000481831820 1039850994 /nfs/dbraw/zinc/85/09/94/1039850994.db2.gz NHKPSEKWEQMHSE-ULQDDVLXSA-N 1 0 334.504 4.291 20 30 EIEDRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(OCC#N)cc3)oc21 ZINC000192905118 1039855853 /nfs/dbraw/zinc/85/58/53/1039855853.db2.gz KLKKEIACINVOID-AWEZNQCLSA-N 1 0 336.391 4.195 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000442691364 1039880175 /nfs/dbraw/zinc/88/01/75/1039880175.db2.gz LTJPSOJVSZORMW-RHSMWYFYSA-N 1 0 326.827 4.426 20 30 EIEDRO C=CC[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000924984972 1039881442 /nfs/dbraw/zinc/88/14/42/1039881442.db2.gz ZIYLILKJWKZEOJ-FQEVSTJZSA-N 1 0 341.886 4.064 20 30 EIEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc(Cl)cc2C#N)CC1 ZINC000425234797 1039899864 /nfs/dbraw/zinc/89/98/64/1039899864.db2.gz HVQXJFWTSKLGID-CQSZACIVSA-N 1 0 340.858 4.244 20 30 EIEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000425237231 1039913963 /nfs/dbraw/zinc/91/39/63/1039913963.db2.gz LCTJZBFTZCUMSC-CQSZACIVSA-N 1 0 340.858 4.244 20 30 EIEDRO Cc1ccccc1NC(=O)CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000434936568 1039947735 /nfs/dbraw/zinc/94/77/35/1039947735.db2.gz GALUEFUWVRBZEF-UHFFFAOYSA-N 1 0 349.478 4.354 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000514589026 1040037224 /nfs/dbraw/zinc/03/72/24/1040037224.db2.gz DLIRUMQQDPIMAW-FGTMMUONSA-N 1 0 341.499 4.048 20 30 EIEDRO COc1cc(C[N@H+]2CC=C(C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000535211500 1040071914 /nfs/dbraw/zinc/07/19/14/1040071914.db2.gz LLQQPOKIGGDSLP-UHFFFAOYSA-N 1 0 348.446 4.298 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000551274331 1040118218 /nfs/dbraw/zinc/11/82/18/1040118218.db2.gz OGFIVEBJWVWEAG-FPXQBCRKSA-N 1 0 332.463 4.068 20 30 EIEDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(C#N)s2)cn1 ZINC000553314952 1040122567 /nfs/dbraw/zinc/12/25/67/1040122567.db2.gz HXZNOVUWGYCXKI-UHFFFAOYSA-N 1 0 334.448 4.072 20 30 EIEDRO C=C[C@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000535333524 1040194930 /nfs/dbraw/zinc/19/49/30/1040194930.db2.gz SOPLNEIVROWIJB-GOSISDBHSA-N 1 0 328.500 4.117 20 30 EIEDRO N#CCC[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000553385927 1040199326 /nfs/dbraw/zinc/19/93/26/1040199326.db2.gz HVXOQBIQYNJOPF-SFHVURJKSA-N 1 0 341.842 4.303 20 30 EIEDRO CCc1ccc([C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)N(C)C)cc1 ZINC000514820796 1040256756 /nfs/dbraw/zinc/25/67/56/1040256756.db2.gz PIRHZPGAQSKBNT-YADHBBJMSA-N 1 0 333.479 4.000 20 30 EIEDRO CC[N@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C1CCCC1 ZINC000551401497 1040269831 /nfs/dbraw/zinc/26/98/31/1040269831.db2.gz JAVHPHBUCHYGQL-UHFFFAOYSA-N 1 0 347.890 4.160 20 30 EIEDRO N#Cc1csc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)c1 ZINC000425350576 1040313332 /nfs/dbraw/zinc/31/33/32/1040313332.db2.gz LVVUWKKWBAUFSN-UHFFFAOYSA-N 1 0 343.521 4.335 20 30 EIEDRO Cc1c(Br)cccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000535582472 1040384091 /nfs/dbraw/zinc/38/40/91/1040384091.db2.gz HXEDDXRZWZHVIF-UHFFFAOYSA-N 1 0 329.241 4.261 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2CCCC[C@H]2c2ccc(OC)c(F)c2)CC1 ZINC000482628603 1040393974 /nfs/dbraw/zinc/39/39/74/1040393974.db2.gz LCPYIOJWDHLOIK-ICSRJNTNSA-N 1 0 346.490 4.101 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000482648916 1040406637 /nfs/dbraw/zinc/40/66/37/1040406637.db2.gz GGDWHFBWTMHTRL-SFHVURJKSA-N 1 0 330.516 4.413 20 30 EIEDRO C=CC[NH+]1CCC(N[C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000482651604 1040413444 /nfs/dbraw/zinc/41/34/44/1040413444.db2.gz NQVBPJWTYVCWCU-LLVKDONJSA-N 1 0 331.262 4.434 20 30 EIEDRO CC(C)CCC[C@@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539497955 1040487959 /nfs/dbraw/zinc/48/79/59/1040487959.db2.gz AVOFYEKMAKLGNL-GOSISDBHSA-N 1 0 327.516 4.327 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000435674377 1040538125 /nfs/dbraw/zinc/53/81/25/1040538125.db2.gz YQICKYTUDMYAAE-INWMFGNUSA-N 1 0 329.362 4.217 20 30 EIEDRO COc1ccc([C@H]([NH2+]CCC(C)(C)C#N)c2ccc(F)cc2)cc1 ZINC000539570007 1040565116 /nfs/dbraw/zinc/56/51/16/1040565116.db2.gz XKXLRFIRQIAQDL-LJQANCHMSA-N 1 0 326.415 4.453 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCCSC3)c2)c1 ZINC000553855445 1040575432 /nfs/dbraw/zinc/57/54/32/1040575432.db2.gz MSEHCMHLOIHZPY-LJQANCHMSA-N 1 0 338.476 4.122 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000435750190 1040585457 /nfs/dbraw/zinc/58/54/57/1040585457.db2.gz XBSQKTNCZNPRBU-SIKLNZKXSA-N 1 0 337.463 4.433 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000435752237 1040587486 /nfs/dbraw/zinc/58/74/86/1040587486.db2.gz WXZOQNRPKNLHMV-NHYWBVRUSA-N 1 0 331.790 4.012 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000435735429 1040591106 /nfs/dbraw/zinc/59/11/06/1040591106.db2.gz MUFDULDASHKJGH-IUODEOHRSA-N 1 0 331.790 4.012 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000435740026 1040593095 /nfs/dbraw/zinc/59/30/95/1040593095.db2.gz IHRZEUPCEDVETQ-SIKLNZKXSA-N 1 0 337.463 4.433 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000435740024 1040594149 /nfs/dbraw/zinc/59/41/49/1040594149.db2.gz IHRZEUPCEDVETQ-DENIHFKCSA-N 1 0 337.463 4.433 20 30 EIEDRO N#Cc1ccccc1OCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477563112 1040598129 /nfs/dbraw/zinc/59/81/29/1040598129.db2.gz LINYXESNENHEPX-UHFFFAOYSA-N 1 0 346.352 4.235 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000435746159 1040598731 /nfs/dbraw/zinc/59/87/31/1040598731.db2.gz UIDYFXZENQYOHI-FUHWJXTLSA-N 1 0 328.481 4.189 20 30 EIEDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)Nc1ccccc1 ZINC000539607513 1040604080 /nfs/dbraw/zinc/60/40/80/1040604080.db2.gz LFNZCMVHJGUFLY-FOIQADDNSA-N 1 0 325.431 4.485 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccco1 ZINC000539609371 1040606815 /nfs/dbraw/zinc/60/68/15/1040606815.db2.gz FNSDESNLNMNTHS-KDOFPFPSSA-N 1 0 329.419 4.024 20 30 EIEDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609053 1040606832 /nfs/dbraw/zinc/60/68/32/1040606832.db2.gz BZIWNHQHEDFWML-FTRWYGJKSA-N 1 0 337.442 4.011 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539609460 1040607290 /nfs/dbraw/zinc/60/72/90/1040607290.db2.gz HKHKKPXNGGWWBL-QUJCMNEKSA-N 1 0 330.378 4.263 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000539610478 1040607314 /nfs/dbraw/zinc/60/73/14/1040607314.db2.gz YBJDYTDKQPOMFJ-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO OCC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000553945607 1040648418 /nfs/dbraw/zinc/64/84/18/1040648418.db2.gz JPUDXZDFDNQQLD-SFHVURJKSA-N 1 0 334.246 4.058 20 30 EIEDRO C=CC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000554075141 1040780741 /nfs/dbraw/zinc/78/07/41/1040780741.db2.gz RSWMLAQFJQHUSV-UHFFFAOYSA-N 1 0 337.345 4.153 20 30 EIEDRO Cn1cc(C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)cc1C#N ZINC000483278704 1040805283 /nfs/dbraw/zinc/80/52/83/1040805283.db2.gz DAYBOPIIVBAXCT-UHFFFAOYSA-N 1 0 327.859 4.005 20 30 EIEDRO N#Cc1c(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cn2ccccc12 ZINC000515509329 1040815886 /nfs/dbraw/zinc/81/58/86/1040815886.db2.gz VYWJSVBFLODUHK-LJQANCHMSA-N 1 0 333.410 4.157 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)cc1 ZINC000462740061 1040885198 /nfs/dbraw/zinc/88/51/98/1040885198.db2.gz RERHKLBRFKGLES-LJQANCHMSA-N 1 0 331.843 4.382 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](OC)c2ccc(Cl)cc2)cc1 ZINC000462740060 1040885607 /nfs/dbraw/zinc/88/56/07/1040885607.db2.gz RERHKLBRFKGLES-IBGZPJMESA-N 1 0 331.843 4.382 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@H](OC)c2ccc(Cl)cc2)c1 ZINC000462739584 1040885746 /nfs/dbraw/zinc/88/57/46/1040885746.db2.gz OJICDXGXQWNZAA-IBGZPJMESA-N 1 0 331.843 4.382 20 30 EIEDRO COc1ccccc1C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)C ZINC000483710432 1040979900 /nfs/dbraw/zinc/97/99/00/1040979900.db2.gz LYKOSXRAHYIZMD-IBGZPJMESA-N 1 0 326.415 4.063 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000436292334 1041056570 /nfs/dbraw/zinc/05/65/70/1041056570.db2.gz LJTBXVGOWXAFHB-KMFMINBZSA-N 1 0 327.390 4.207 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000554376004 1041062381 /nfs/dbraw/zinc/06/23/81/1041062381.db2.gz BJCRBRJSWGUPCV-HUUCEWRRSA-N 1 0 334.426 4.044 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000483922689 1041066594 /nfs/dbraw/zinc/06/65/94/1041066594.db2.gz YVARTPSDYYILEZ-UHFFFAOYSA-N 1 0 343.515 4.026 20 30 EIEDRO C[C@@H]1C[C@@H](N(C)CC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000483934924 1041071011 /nfs/dbraw/zinc/07/10/11/1041071011.db2.gz YUQFKEMVMBHNDM-OFNKIYASSA-N 1 0 332.491 4.023 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000538141261 1041074755 /nfs/dbraw/zinc/07/47/55/1041074755.db2.gz HPCIMFQTKMQTSM-INIZCTEOSA-N 1 0 343.430 4.391 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000538144895 1041079128 /nfs/dbraw/zinc/07/91/28/1041079128.db2.gz PXGQKTVFDBMZCK-CYBMUJFWSA-N 1 0 345.240 4.050 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000467579490 1041084716 /nfs/dbraw/zinc/08/47/16/1041084716.db2.gz SVYGNVTYHJFENB-LAUBAEHRSA-N 1 0 328.500 4.137 20 30 EIEDRO C=CCN(C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)C1CC1 ZINC000540082289 1041101291 /nfs/dbraw/zinc/10/12/91/1041101291.db2.gz ZADHPDFORQQLOX-UHFFFAOYSA-N 1 0 341.499 4.143 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000480273138 1041152716 /nfs/dbraw/zinc/15/27/16/1041152716.db2.gz GHTQEZKHWRCUJM-ZWKOTPCHSA-N 1 0 347.384 4.341 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1OCc1ccccc1 ZINC000480275013 1041156565 /nfs/dbraw/zinc/15/65/65/1041156565.db2.gz CMOLIXPHLIZGLF-QGZVFWFLSA-N 1 0 345.446 4.327 20 30 EIEDRO CCOc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000425529722 1041185076 /nfs/dbraw/zinc/18/50/76/1041185076.db2.gz CPECPXGAZAPXSR-CQSZACIVSA-N 1 0 339.395 4.058 20 30 EIEDRO Clc1ccccc1C#CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000538233604 1041203304 /nfs/dbraw/zinc/20/33/04/1041203304.db2.gz UVVPODYILXAUPK-UWJYYQICSA-N 1 0 339.866 4.449 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccccc1C(F)(F)F ZINC000538261280 1041209828 /nfs/dbraw/zinc/20/98/28/1041209828.db2.gz QKMNBLWCBJEFSH-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000540171871 1041215077 /nfs/dbraw/zinc/21/50/77/1041215077.db2.gz FIVBULDLEVROTO-OAHLLOKOSA-N 1 0 326.465 4.151 20 30 EIEDRO CC(C)CNC(=O)c1cccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425542082 1041219143 /nfs/dbraw/zinc/21/91/43/1041219143.db2.gz YBPXFRPWFDGQCC-QGZVFWFLSA-N 1 0 349.478 4.137 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000540188959 1041232516 /nfs/dbraw/zinc/23/25/16/1041232516.db2.gz NJFVTHBDHLUDDQ-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)COC2 ZINC000540185996 1041249648 /nfs/dbraw/zinc/24/96/48/1041249648.db2.gz IBOZXPFBENWEJZ-CQSZACIVSA-N 1 0 345.364 4.438 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)C ZINC000538391707 1041311302 /nfs/dbraw/zinc/31/13/02/1041311302.db2.gz QCIJLSGDKSGRDP-INIZCTEOSA-N 1 0 347.528 4.241 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000538408766 1041327010 /nfs/dbraw/zinc/32/70/10/1041327010.db2.gz PWZNIBBFSWMHGS-VSKRKVRLSA-N 1 0 344.458 4.272 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)Cc1cccc(C#N)c1F ZINC000540340908 1041400807 /nfs/dbraw/zinc/40/08/07/1041400807.db2.gz TZPRSNHSUIWDNM-UHFFFAOYSA-N 1 0 349.409 4.417 20 30 EIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)CC2(O)CCCC2)c1F ZINC000540347901 1041404287 /nfs/dbraw/zinc/40/42/87/1041404287.db2.gz NRGRIVLVHVWOSP-UHFFFAOYSA-N 1 0 338.426 4.005 20 30 EIEDRO CCC(CC)[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1cccs1 ZINC000540375148 1041411071 /nfs/dbraw/zinc/41/10/71/1041411071.db2.gz WPIDSOBVMJWGKA-SFHVURJKSA-N 1 0 347.528 4.158 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)ccc1OCCC(C)C ZINC000463280190 1041469741 /nfs/dbraw/zinc/46/97/41/1041469741.db2.gz BYDKPNFXTXDVQS-WMZOPIPTSA-N 1 0 330.472 4.292 20 30 EIEDRO COc1ccc(C[N@H+](CC2CCC2)C(C)C)cc1OCCCC#N ZINC000195079105 1041470670 /nfs/dbraw/zinc/47/06/70/1041470670.db2.gz YTLOCFSPXNHCHH-UHFFFAOYSA-N 1 0 330.472 4.388 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)C1 ZINC000463302021 1041485006 /nfs/dbraw/zinc/48/50/06/1041485006.db2.gz NVIZHISDXSRAOD-FHLIZLRMSA-N 1 0 349.881 4.115 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000538728149 1041498854 /nfs/dbraw/zinc/49/88/54/1041498854.db2.gz YXTUDQSEYBPOEH-UHFFFAOYSA-N 1 0 342.443 4.174 20 30 EIEDRO C=CCc1cc(C[N@@H+](C)[C@@H]2CC[C@H](SCC)C2)cc(OC)c1O ZINC000538725321 1041516205 /nfs/dbraw/zinc/51/62/05/1041516205.db2.gz NVIBRWDHHFVALT-SJORKVTESA-N 1 0 335.513 4.235 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000540597097 1041553098 /nfs/dbraw/zinc/55/30/98/1041553098.db2.gz HYSUPZPPPHTRBT-ZDUSSCGKSA-N 1 0 334.341 4.350 20 30 EIEDRO C[NH+](C)[C@H](CNc1ccc(C(F)(F)F)c(C#N)c1)c1ccsc1 ZINC000463427507 1041564278 /nfs/dbraw/zinc/56/42/78/1041564278.db2.gz CCEFEKAHABBDGN-OAHLLOKOSA-N 1 0 339.386 4.353 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000540702668 1041604158 /nfs/dbraw/zinc/60/41/58/1041604158.db2.gz YAXYTZMDTRSDAN-WFXMLNOXSA-N 1 0 336.479 4.427 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1[N+](=O)[O-] ZINC000540707551 1041606573 /nfs/dbraw/zinc/60/65/73/1041606573.db2.gz IJRLDPQWCICWDA-CHWSQXEVSA-N 1 0 327.359 4.326 20 30 EIEDRO Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)cn(C)c2c1 ZINC000437082272 1041628491 /nfs/dbraw/zinc/62/84/91/1041628491.db2.gz ZLOBOFSNQKOIIC-HNNXBMFYSA-N 1 0 335.426 4.391 20 30 EIEDRO CCc1ccc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)o1 ZINC000437099483 1041643829 /nfs/dbraw/zinc/64/38/29/1041643829.db2.gz UWXBFOXLHJJCFM-MXWWQKGMSA-N 1 0 339.439 4.149 20 30 EIEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000460350285 1041785430 /nfs/dbraw/zinc/78/54/30/1041785430.db2.gz JVAMRTRFXLAWAJ-HOCLYGCPSA-N 1 0 333.501 4.124 20 30 EIEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000460350283 1041785905 /nfs/dbraw/zinc/78/59/05/1041785905.db2.gz JVAMRTRFXLAWAJ-GOEBONIOSA-N 1 0 333.501 4.124 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc(-c2ccccc2)cs1 ZINC000090107119 1041834047 /nfs/dbraw/zinc/83/40/47/1041834047.db2.gz IDOMAWXLKIAACA-OAHLLOKOSA-N 1 0 349.459 4.411 20 30 EIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000541322951 1041892207 /nfs/dbraw/zinc/89/22/07/1041892207.db2.gz XWHHRNJAXGNXJD-MGPUTAFESA-N 1 0 336.435 4.159 20 30 EIEDRO C[C@@H](CCc1ccc(Br)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000517534509 1042068985 /nfs/dbraw/zinc/06/89/85/1042068985.db2.gz WDZQLWCRSIRUOA-AWEZNQCLSA-N 1 0 343.268 4.432 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)COc2ccc(F)cc2F)c1 ZINC000517534988 1042069019 /nfs/dbraw/zinc/06/90/19/1042069019.db2.gz RESQMALPLAHMHJ-AWEZNQCLSA-N 1 0 333.378 4.087 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000464648759 1042096442 /nfs/dbraw/zinc/09/64/42/1042096442.db2.gz SOYBNZHKFUULAD-ROUUACIJSA-N 1 0 328.500 4.137 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000517709803 1042152973 /nfs/dbraw/zinc/15/29/73/1042152973.db2.gz UVYNGQXNKNJKFI-UHFFFAOYSA-N 1 0 330.815 4.284 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccc(C#N)cc1 ZINC000541911741 1042166779 /nfs/dbraw/zinc/16/67/79/1042166779.db2.gz ALVBZDCOFZTJLZ-LLGFUMIMSA-N 1 0 325.500 4.252 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cncc4ccccc43)CC2)cc1 ZINC000541909576 1042166863 /nfs/dbraw/zinc/16/68/63/1042166863.db2.gz KRTLEHMFCJTZHP-UHFFFAOYSA-N 1 0 342.446 4.183 20 30 EIEDRO CSc1cc(Br)ccc1C[NH+]1CCC(CC#N)CC1 ZINC000541923137 1042174684 /nfs/dbraw/zinc/17/46/84/1042174684.db2.gz GTFLWPFJZUBASD-UHFFFAOYSA-N 1 0 339.302 4.297 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC000506235217 1042188505 /nfs/dbraw/zinc/18/85/05/1042188505.db2.gz UBGUOHCCWSITKN-UHFFFAOYSA-N 1 0 326.827 4.408 20 30 EIEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(C)c1 ZINC000438467977 1042198783 /nfs/dbraw/zinc/19/87/83/1042198783.db2.gz IVFFAZFYQLPCLT-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1C#N ZINC000518007682 1042305514 /nfs/dbraw/zinc/30/55/14/1042305514.db2.gz NMOWHJGHJIICGE-INIZCTEOSA-N 1 0 347.384 4.295 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)CC2 ZINC000518015876 1042312809 /nfs/dbraw/zinc/31/28/09/1042312809.db2.gz ZJTNVUFXKLNYEN-QGZVFWFLSA-N 1 0 346.352 4.233 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000438786122 1042346147 /nfs/dbraw/zinc/34/61/47/1042346147.db2.gz XIHVYUHJHFQQGB-INIZCTEOSA-N 1 0 347.462 4.116 20 30 EIEDRO CCC[NH+](CCC)CCCC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000303316377 1042398011 /nfs/dbraw/zinc/39/80/11/1042398011.db2.gz QFSLYOBHHKIMBH-UHFFFAOYSA-N 1 0 329.488 4.328 20 30 EIEDRO C=CC[N@H+](CCC(=O)Nc1ccccc1SC)CCc1ccco1 ZINC000491366036 1042433360 /nfs/dbraw/zinc/43/33/60/1042433360.db2.gz HIFAQHGFXYRMIA-UHFFFAOYSA-N 1 0 344.480 4.061 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000303478198 1042444972 /nfs/dbraw/zinc/44/49/72/1042444972.db2.gz SJWUUOHEZZMUEJ-QGZVFWFLSA-N 1 0 349.544 4.129 20 30 EIEDRO O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000439010468 1042459103 /nfs/dbraw/zinc/45/91/03/1042459103.db2.gz QOPSLHOIRRCOET-VAMGGRTRSA-N 1 0 331.887 4.097 20 30 EIEDRO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000439010465 1042459182 /nfs/dbraw/zinc/45/91/82/1042459182.db2.gz QOPSLHOIRRCOET-SLFFLAALSA-N 1 0 331.887 4.097 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCCC(F)(F)C2)cc(OC)c1O ZINC000491592279 1042476326 /nfs/dbraw/zinc/47/63/26/1042476326.db2.gz TTYAMLKIFBJYNM-AWEZNQCLSA-N 1 0 339.426 4.435 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl)C1CC1 ZINC000439075437 1042485706 /nfs/dbraw/zinc/48/57/06/1042485706.db2.gz CSLWBQVXYDYIEV-HIFRSBDPSA-N 1 0 344.282 4.068 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1ccc(OC)cc1)N1CCCC1)C1CC1 ZINC000439092117 1042496501 /nfs/dbraw/zinc/49/65/01/1042496501.db2.gz OANPZEDTCMPQDS-RTWAWAEBSA-N 1 0 328.500 4.167 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccsc1 ZINC000669938210 1042498187 /nfs/dbraw/zinc/49/81/87/1042498187.db2.gz HBIXTFJBTFMMCY-ZDUSSCGKSA-N 1 0 332.494 4.316 20 30 EIEDRO C=C(C)COCC[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000439138416 1042515164 /nfs/dbraw/zinc/51/51/64/1042515164.db2.gz WDRUXVCMKQBWJI-AWEZNQCLSA-N 1 0 330.291 4.144 20 30 EIEDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437894207 1042554669 /nfs/dbraw/zinc/55/46/69/1042554669.db2.gz HHQCTMAUSXETQV-CABCVRRESA-N 1 0 340.439 4.266 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000492107297 1042557776 /nfs/dbraw/zinc/55/77/76/1042557776.db2.gz OYPKWMPCFDPFSW-LIRRHRJNSA-N 1 0 329.465 4.105 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3oc4ccccc4c3c2)CC1 ZINC000518581022 1042575340 /nfs/dbraw/zinc/57/53/40/1042575340.db2.gz OXXHFOZCHWWEHK-UHFFFAOYSA-N 1 0 349.434 4.358 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cnn1-c1ccc(F)cc1 ZINC000296643867 1042608411 /nfs/dbraw/zinc/60/84/11/1042608411.db2.gz YHCVXNRHUACPHC-KMFMINBZSA-N 1 0 326.419 4.053 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000439437341 1042624891 /nfs/dbraw/zinc/62/48/91/1042624891.db2.gz IBQAPMWRKHVYSK-QGZVFWFLSA-N 1 0 342.826 4.224 20 30 EIEDRO CCN(Cc1cccs1)Cc1cc(C#N)ccc1Br ZINC000492377461 1042625414 /nfs/dbraw/zinc/62/54/14/1042625414.db2.gz PSVIUJLYCHDJPL-UHFFFAOYSA-N 1 0 335.270 4.404 20 30 EIEDRO N#Cc1ccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c(Cl)c1 ZINC000439440041 1042626188 /nfs/dbraw/zinc/62/61/88/1042626188.db2.gz PLESFXDGHRQTPE-IBGZPJMESA-N 1 0 340.854 4.045 20 30 EIEDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](CCCCC(C)(C)C#N)C2 ZINC000439496071 1042666811 /nfs/dbraw/zinc/66/68/11/1042666811.db2.gz RKWNDAYTRNXZKK-OXJNMPFZSA-N 1 0 334.504 4.150 20 30 EIEDRO CS[C@H]1CCCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492566341 1042700308 /nfs/dbraw/zinc/70/03/08/1042700308.db2.gz YUAKKLXZEZAHRX-AWEZNQCLSA-N 1 0 339.302 4.038 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)ccc1C#N ZINC000443974382 1042707208 /nfs/dbraw/zinc/70/72/08/1042707208.db2.gz UCRIDJIZQGDWSS-UHFFFAOYSA-N 1 0 347.393 4.483 20 30 EIEDRO CCOc1cc2c(cc1OCC)C[N@H+](CCCC(C)(C)C#N)CC2 ZINC000174811825 1042714594 /nfs/dbraw/zinc/71/45/94/1042714594.db2.gz OJFOHALYTBETRV-UHFFFAOYSA-N 1 0 330.472 4.172 20 30 EIEDRO C[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)Oc1ccccc1Cl ZINC000518844111 1042719890 /nfs/dbraw/zinc/71/98/90/1042719890.db2.gz OKFFECKIIBFNDL-UGSOOPFHSA-N 1 0 326.827 4.256 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)ccc1C#N ZINC000443985048 1042730583 /nfs/dbraw/zinc/73/05/83/1042730583.db2.gz JFIWDEFCQVAXHB-UHFFFAOYSA-N 1 0 329.403 4.344 20 30 EIEDRO CC[C@H](C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000507766150 1042849933 /nfs/dbraw/zinc/84/99/33/1042849933.db2.gz KJIVTFVJNMSZMB-KMFTYDHNSA-N 1 0 349.478 4.427 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C[C@@H](C)C1 ZINC000507767551 1042854063 /nfs/dbraw/zinc/85/40/63/1042854063.db2.gz CUDMQYNBTHDQKZ-NWAGQXKTSA-N 1 0 327.472 4.058 20 30 EIEDRO CCCCCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001127273296 1042870943 /nfs/dbraw/zinc/87/09/43/1042870943.db2.gz MNYALHQUWDQDHG-HXUWFJFHSA-N 1 0 330.516 4.375 20 30 EIEDRO CC(C)C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000441544790 1042880534 /nfs/dbraw/zinc/88/05/34/1042880534.db2.gz KHZMUCRNTUNQLJ-UHFFFAOYSA-N 1 0 346.434 4.266 20 30 EIEDRO COc1ccc(C)cc1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237196243 1042902891 /nfs/dbraw/zinc/90/28/91/1042902891.db2.gz GDTNAMMGMUKYMX-UHFFFAOYSA-N 1 0 338.451 4.019 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CCCn2ccc3ccccc32)cc1 ZINC000237203921 1042925455 /nfs/dbraw/zinc/92/54/55/1042925455.db2.gz XBKFTZGSBVFFDM-UHFFFAOYSA-N 1 0 346.478 4.171 20 30 EIEDRO CCC(CC)c1cc[n+]([C@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000160082573 1042936629 /nfs/dbraw/zinc/93/66/29/1042936629.db2.gz CXUYRWIKUBLBOW-FQEVSTJZSA-N 1 0 341.450 4.385 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000008268995 1043078571 /nfs/dbraw/zinc/07/85/71/1043078571.db2.gz DYODOZUMNVABQC-HNNXBMFYSA-N 1 0 329.403 4.001 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000554951040 1043089354 /nfs/dbraw/zinc/08/93/54/1043089354.db2.gz SZLWYGLNQZLYNK-WOJBJXKFSA-N 1 0 339.870 4.055 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C[NH+](CC)CC ZINC000355563701 1043101659 /nfs/dbraw/zinc/10/16/59/1043101659.db2.gz PWTBAVCTRUPGLS-MRXNPFEDSA-N 1 0 331.504 4.390 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](COC)c2ccccc2)c(O)c1 ZINC000727061865 1043126387 /nfs/dbraw/zinc/12/63/87/1043126387.db2.gz PJBWMZKPBRTELA-BWCLHNGZSA-N 1 0 326.440 4.045 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000282462470 1043150759 /nfs/dbraw/zinc/15/07/59/1043150759.db2.gz OPRBMWRLPNEABM-KSSFIOAISA-N 1 0 345.874 4.280 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000427706715 1043169911 /nfs/dbraw/zinc/16/99/11/1043169911.db2.gz VQMYMLDWEMBVAM-IBGZPJMESA-N 1 0 330.541 4.470 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C(C)(C)c2nc3ccccc3n2C)c1 ZINC000185641754 1043207394 /nfs/dbraw/zinc/20/73/94/1043207394.db2.gz GORPWOLJZUPSGK-UHFFFAOYSA-N 1 0 335.451 4.163 20 30 EIEDRO COc1cccc(Oc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cn2)c1 ZINC000185784683 1043219736 /nfs/dbraw/zinc/21/97/36/1043219736.db2.gz KUTSDXRTTOLMGN-NVXWUHKLSA-N 1 0 337.423 4.054 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)C1 ZINC000185804172 1043221277 /nfs/dbraw/zinc/22/12/77/1043221277.db2.gz XZYLOZPAQXGIJO-UXHICEINSA-N 1 0 344.462 4.257 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c(OC(F)F)c1 ZINC000185855603 1043226581 /nfs/dbraw/zinc/22/65/81/1043226581.db2.gz GVKHFNFGILQARN-UKRRQHHQSA-N 1 0 338.398 4.249 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H]2COc3ccccc3C2)cc1Cl ZINC000727469307 1043228490 /nfs/dbraw/zinc/22/84/90/1043228490.db2.gz VWVMLUOBGPCKBY-INIZCTEOSA-N 1 0 343.854 4.246 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000356667879 1043236549 /nfs/dbraw/zinc/23/65/49/1043236549.db2.gz BGBADBXAYKWRCC-GOSISDBHSA-N 1 0 349.316 4.067 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000487407590 1043258208 /nfs/dbraw/zinc/25/82/08/1043258208.db2.gz BYKSWDRJATYCGU-LJQANCHMSA-N 1 0 326.484 4.411 20 30 EIEDRO CCCCO[C@@H]1C[C@H]([N@H+](C)CCCC2(C#N)CCOCC2)C1(C)C ZINC000499554319 1043264046 /nfs/dbraw/zinc/26/40/46/1043264046.db2.gz UEQIVLCAENJJFN-ZWKOTPCHSA-N 1 0 336.520 4.003 20 30 EIEDRO C=CCC[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000427922036 1043264455 /nfs/dbraw/zinc/26/44/55/1043264455.db2.gz ACGGOUPGNBSYAS-ICSRJNTNSA-N 1 0 328.500 4.117 20 30 EIEDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543557716 1043318604 /nfs/dbraw/zinc/31/86/04/1043318604.db2.gz GLIJHRCIZRKLGB-NHCUHLMSSA-N 1 0 341.401 4.168 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(-n2ccnc2)c1 ZINC000347880992 1043318923 /nfs/dbraw/zinc/31/89/23/1043318923.db2.gz NEGFUOJRXVUSLG-UHFFFAOYSA-N 1 0 331.419 4.091 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c(O)c(OC)c1 ZINC000164519832 1043341425 /nfs/dbraw/zinc/34/14/25/1043341425.db2.gz JTDCNBDURLBOMI-LJQANCHMSA-N 1 0 338.451 4.170 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000625700490 1043358141 /nfs/dbraw/zinc/35/81/41/1043358141.db2.gz ITUCTBXCJBPHFW-LLVKDONJSA-N 1 0 338.238 4.441 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](Cc2csc(-c3cccc(OC)c3OC)n2)C1 ZINC000625702617 1043361175 /nfs/dbraw/zinc/36/11/75/1043361175.db2.gz HRLTVBSAVDKPDD-AWEZNQCLSA-N 1 0 344.480 4.225 20 30 EIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(Br)c(F)c1 ZINC000494245800 1043371299 /nfs/dbraw/zinc/37/12/99/1043371299.db2.gz VKOMBNIBZZIUEP-UHFFFAOYSA-N 1 0 347.231 4.286 20 30 EIEDRO N#CC1(CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CCOCC1 ZINC000499600901 1043391619 /nfs/dbraw/zinc/39/16/19/1043391619.db2.gz QTJYMFCMTMSBCZ-SFHVURJKSA-N 1 0 332.875 4.481 20 30 EIEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000494294107 1043411185 /nfs/dbraw/zinc/41/11/85/1043411185.db2.gz WHTSLTCUJKFKKI-INIZCTEOSA-N 1 0 345.240 4.327 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000730024048 1043431349 /nfs/dbraw/zinc/43/13/49/1043431349.db2.gz ZXVGFRNNORHOBN-GJZGRUSLSA-N 1 0 328.481 4.141 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1csc2ccccc21 ZINC000730019864 1043436196 /nfs/dbraw/zinc/43/61/96/1043436196.db2.gz TYUTWUNVQGHVBF-KGLIPLIRSA-N 1 0 349.459 4.451 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OCCCCC)cc2)CC1 ZINC000520975912 1043475669 /nfs/dbraw/zinc/47/56/69/1043475669.db2.gz JKSMAGZZFRUAML-UHFFFAOYSA-N 1 0 330.516 4.386 20 30 EIEDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000499626475 1043497155 /nfs/dbraw/zinc/49/71/55/1043497155.db2.gz OUSLOAVFZXRPES-SCLBCKFNSA-N 1 0 348.368 4.189 20 30 EIEDRO N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@H](c4ccccc4F)C3)n2)cc1 ZINC000730455806 1043527572 /nfs/dbraw/zinc/52/75/72/1043527572.db2.gz TXYPVMQUDULKJV-SFHVURJKSA-N 1 0 346.409 4.008 20 30 EIEDRO Cc1ccc(SC2(C[NH2+]C[C@H](C#N)CCC#N)CCCC2)cc1 ZINC000521167835 1043603619 /nfs/dbraw/zinc/60/36/19/1043603619.db2.gz ININVWMWYXIFNF-KRWDZBQOSA-N 1 0 327.497 4.433 20 30 EIEDRO C=C1CC[NH+](C[C@H](O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000521253105 1043677974 /nfs/dbraw/zinc/67/79/74/1043677974.db2.gz WWPSHEZBCQKGGA-INIZCTEOSA-N 1 0 337.891 4.164 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658060917 1043704376 /nfs/dbraw/zinc/70/43/76/1043704376.db2.gz QPXVNNJMPPBPJH-JJRVBVJISA-N 1 0 339.476 4.015 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000521323335 1043710146 /nfs/dbraw/zinc/71/01/46/1043710146.db2.gz MYDSWEVQOWUYGV-FPOVZHCZSA-N 1 0 328.500 4.007 20 30 EIEDRO CCC[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCc2ccccc2C1 ZINC000731211803 1043714216 /nfs/dbraw/zinc/71/42/16/1043714216.db2.gz BPADJUKTTYNCLO-NRFANRHFSA-N 1 0 334.463 4.358 20 30 EIEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000731213203 1043714561 /nfs/dbraw/zinc/71/45/61/1043714561.db2.gz WNROITPTQFBLFT-HXUWFJFHSA-N 1 0 336.435 4.325 20 30 EIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000731211603 1043715615 /nfs/dbraw/zinc/71/56/15/1043715615.db2.gz QKFGBBRLZHNZBY-UHFFFAOYSA-N 1 0 334.341 4.240 20 30 EIEDRO CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000255684630 1043717687 /nfs/dbraw/zinc/71/76/87/1043717687.db2.gz PXBMDDLWLGSMRU-ZWKOTPCHSA-N 1 0 349.478 4.161 20 30 EIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCCC3CCCC3)CC2)c1 ZINC000439001856 1043765105 /nfs/dbraw/zinc/76/51/05/1043765105.db2.gz CZFRXYFVACJZPZ-UHFFFAOYSA-N 1 0 339.483 4.179 20 30 EIEDRO CCOc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C(C)C)cc1OCC ZINC000442646467 1043794069 /nfs/dbraw/zinc/79/40/69/1043794069.db2.gz KCRYCGVEFZXLBI-WRWLIDTKSA-N 1 0 330.472 4.463 20 30 EIEDRO N#CCOc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000731844801 1043834647 /nfs/dbraw/zinc/83/46/47/1043834647.db2.gz VTUIMPYIMVBFFD-UHFFFAOYSA-N 1 0 348.402 4.090 20 30 EIEDRO CC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)Cc1cccc(Br)c1 ZINC000442783933 1043835197 /nfs/dbraw/zinc/83/51/97/1043835197.db2.gz UVXXZVQNFLUYPG-QRTARXTBSA-N 1 0 335.289 4.300 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000442770645 1043837813 /nfs/dbraw/zinc/83/78/13/1043837813.db2.gz RWZULLWANBWTOY-DHIUTWEWSA-N 1 0 347.506 4.361 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000066971888 1043838291 /nfs/dbraw/zinc/83/82/91/1043838291.db2.gz RGPPFPHWVVDRIV-UHFFFAOYSA-N 1 0 333.347 4.016 20 30 EIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442798145 1043844058 /nfs/dbraw/zinc/84/40/58/1043844058.db2.gz JJBQKECHOXDKAZ-HXUWFJFHSA-N 1 0 336.435 4.085 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2ccccc2C(F)(F)F)ccc1C#N ZINC000442795558 1043844194 /nfs/dbraw/zinc/84/41/94/1043844194.db2.gz FCGACJBRZWGBAA-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442798142 1043844330 /nfs/dbraw/zinc/84/43/30/1043844330.db2.gz JJBQKECHOXDKAZ-FQEVSTJZSA-N 1 0 336.435 4.085 20 30 EIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442803537 1043847631 /nfs/dbraw/zinc/84/76/31/1043847631.db2.gz XAPGVCAHXYVHLT-FQEVSTJZSA-N 1 0 336.435 4.303 20 30 EIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442831442 1043859660 /nfs/dbraw/zinc/85/96/60/1043859660.db2.gz ADTLVQUMCFIPRK-QRWLVFNGSA-N 1 0 336.435 4.159 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1OCC ZINC000442864223 1043865704 /nfs/dbraw/zinc/86/57/04/1043865704.db2.gz FRTRYSUMMQKDGF-KLAILNCOSA-N 1 0 330.472 4.465 20 30 EIEDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CCC(C#N)CC1 ZINC000442861870 1043866348 /nfs/dbraw/zinc/86/63/48/1043866348.db2.gz ZBKRBNVLSSTMPM-UYSNPLJNSA-N 1 0 347.484 4.385 20 30 EIEDRO COC[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000442872639 1043871657 /nfs/dbraw/zinc/87/16/57/1043871657.db2.gz IJGQAYXBULWQBW-MQBCKMQZSA-N 1 0 340.389 4.312 20 30 EIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)c(OC)c1)CCC2 ZINC000442877285 1043878237 /nfs/dbraw/zinc/87/82/37/1043878237.db2.gz ADIAPCHYUJKSSK-INIZCTEOSA-N 1 0 341.480 4.095 20 30 EIEDRO CC1(C)[C@@H]([NH2+]CC2CCC(C#N)CC2)C[C@@H]1OCc1ccccc1 ZINC000442877509 1043879348 /nfs/dbraw/zinc/87/93/48/1043879348.db2.gz ZQFKOHCZMFZHBE-WXDAQCLHSA-N 1 0 326.484 4.290 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2cnn(C)c2)C(C)C)cc1Cl ZINC000922893865 1043890983 /nfs/dbraw/zinc/89/09/83/1043890983.db2.gz JISGMZLSVSFLNR-GOSISDBHSA-N 1 0 333.863 4.125 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@H+](C)Cc2ccc(Cl)s2)c1O ZINC000732424571 1043915094 /nfs/dbraw/zinc/91/50/94/1043915094.db2.gz IZBKSUFGBBXKPX-UHFFFAOYSA-N 1 0 337.872 4.476 20 30 EIEDRO C=CCc1cc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c(O)c(OC)c1 ZINC000732493134 1043927656 /nfs/dbraw/zinc/92/76/56/1043927656.db2.gz YQSJQMLXRUDYMC-UHFFFAOYSA-N 1 0 341.426 4.433 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000011047461 1043944645 /nfs/dbraw/zinc/94/46/45/1043944645.db2.gz WGHHVHPFHUUAOK-DYVFJYSZSA-N 1 0 341.842 4.280 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000487422077 1043950870 /nfs/dbraw/zinc/95/08/70/1043950870.db2.gz RDBTZDLYHBGBDA-DYESRHJHSA-N 1 0 334.463 4.450 20 30 EIEDRO CCCOc1ccc(C[NH2+]Cc2cccc(C#N)c2)c(OCCC)c1 ZINC000521819482 1044009180 /nfs/dbraw/zinc/00/91/80/1044009180.db2.gz LTLJANBTLZCXFN-UHFFFAOYSA-N 1 0 338.451 4.426 20 30 EIEDRO CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000521823169 1044011519 /nfs/dbraw/zinc/01/15/19/1044011519.db2.gz LAWFADKBMPBJRK-OAQYLSRUSA-N 1 0 349.478 4.406 20 30 EIEDRO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1cccc(C#N)c1 ZINC000067716430 1044014582 /nfs/dbraw/zinc/01/45/82/1044014582.db2.gz UQUZJMWIDHGPLF-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO N#CCc1cccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000195125419 1044024481 /nfs/dbraw/zinc/02/44/81/1044024481.db2.gz UBJZGUAKROVRGY-UHFFFAOYSA-N 1 0 347.462 4.381 20 30 EIEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000390716223 1044058024 /nfs/dbraw/zinc/05/80/24/1044058024.db2.gz YGUOJODGCRRVJZ-IBGZPJMESA-N 1 0 339.508 4.010 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000425364619 1044058566 /nfs/dbraw/zinc/05/85/66/1044058566.db2.gz GTHGIXMKWUTUNM-GFCCVEGCSA-N 1 0 334.341 4.492 20 30 EIEDRO C=CCc1cc(CNc2cc[nH+]c3ccccc23)cc(OC)c1OC ZINC000521935492 1044071731 /nfs/dbraw/zinc/07/17/31/1044071731.db2.gz SCEVDOSOFAFZPH-UHFFFAOYSA-N 1 0 334.419 4.015 20 30 EIEDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000443200412 1044088115 /nfs/dbraw/zinc/08/81/15/1044088115.db2.gz GDXMQHSLIFVHDW-XFQAVAEZSA-N 1 0 339.458 4.348 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@H](c2cccnc2)C2CCCCC2)cc1 ZINC000733197790 1044128516 /nfs/dbraw/zinc/12/85/16/1044128516.db2.gz BTVBGYDNAKUYMG-NRFANRHFSA-N 1 0 335.451 4.395 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000733322766 1044182493 /nfs/dbraw/zinc/18/24/93/1044182493.db2.gz UIEJXIAQFOUTPA-UHFFFAOYSA-N 1 0 349.352 4.277 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)cc1 ZINC000733325695 1044188660 /nfs/dbraw/zinc/18/86/60/1044188660.db2.gz QGJUDBLKGKEHFL-UHFFFAOYSA-N 1 0 332.447 4.477 20 30 EIEDRO CCOc1ccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)cc1F ZINC000785467764 1044260646 /nfs/dbraw/zinc/26/06/46/1044260646.db2.gz DHDMVBNHWANQAO-QGZVFWFLSA-N 1 0 342.414 4.195 20 30 EIEDRO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000733609912 1044268764 /nfs/dbraw/zinc/26/87/64/1044268764.db2.gz BWCAIJPANBVNHG-UHFFFAOYSA-N 1 0 337.467 4.067 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000922234085 1044276980 /nfs/dbraw/zinc/27/69/80/1044276980.db2.gz GPCRMPLHIQOQHN-UHFFFAOYSA-N 1 0 343.452 4.257 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc(C(F)F)c1)C(C)C ZINC000522170582 1044296748 /nfs/dbraw/zinc/29/67/48/1044296748.db2.gz MZNWSQSWZSYLTQ-QGZVFWFLSA-N 1 0 336.426 4.053 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N=Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000733743381 1044297741 /nfs/dbraw/zinc/29/77/41/1044297741.db2.gz OYXLAAIVYZKNOZ-KDOFPFPSSA-N 1 0 330.432 4.037 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3ncnc4sccc43)CC2)C1 ZINC000733744254 1044297945 /nfs/dbraw/zinc/29/79/45/1044297945.db2.gz FJBFTGWKTUNPEK-UKRRQHHQSA-N 1 0 343.500 4.134 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000237255530 1044367372 /nfs/dbraw/zinc/36/73/72/1044367372.db2.gz FJZJDJXIJUSWSH-DLBZAZTESA-N 1 0 338.451 4.097 20 30 EIEDRO C=CCOCCC[N@H+]1CCC[C@H]1c1nc(-c2cccc(C)c2)c[nH]1 ZINC000348030035 1044369828 /nfs/dbraw/zinc/36/98/28/1044369828.db2.gz IHPGOWITZRDVPW-IBGZPJMESA-N 1 0 325.456 4.115 20 30 EIEDRO C=CC[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)c1ccccc1 ZINC000494821589 1044385287 /nfs/dbraw/zinc/38/52/87/1044385287.db2.gz LQGYKDRZNRFGKB-QCFAMHMHSA-N 1 0 340.511 4.210 20 30 EIEDRO C=CC[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000494821595 1044386011 /nfs/dbraw/zinc/38/60/11/1044386011.db2.gz LRHMPHKUCSPTCQ-NRFANRHFSA-N 1 0 340.511 4.117 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000466398926 1044389642 /nfs/dbraw/zinc/38/96/42/1044389642.db2.gz KQMBPJCEDXJRIJ-AWEZNQCLSA-N 1 0 334.261 4.284 20 30 EIEDRO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000626105785 1044394532 /nfs/dbraw/zinc/39/45/32/1044394532.db2.gz PTGAERUBYHZLMU-KKSFZXQISA-N 1 0 335.451 4.002 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(Br)c(Cl)c2)c1 ZINC000466421072 1044432006 /nfs/dbraw/zinc/43/20/06/1044432006.db2.gz JEKKUWPZMMQGAF-UHFFFAOYSA-N 1 0 349.659 4.306 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(F)cc2F)cc(OC)c1O ZINC000113312965 1044443638 /nfs/dbraw/zinc/44/36/38/1044443638.db2.gz SYLHWLGZEACCKN-GFCCVEGCSA-N 1 0 333.378 4.258 20 30 EIEDRO CCCC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)C1CCC1 ZINC000542521051 1044475912 /nfs/dbraw/zinc/47/59/12/1044475912.db2.gz LKJHDPDGBGHBGY-MRXNPFEDSA-N 1 0 333.501 4.124 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000734159063 1044505628 /nfs/dbraw/zinc/50/56/28/1044505628.db2.gz FSKUTAOFSPOQPG-UHFFFAOYSA-N 1 0 331.415 4.150 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(OCC=C)c(Cl)c1 ZINC000734159815 1044506407 /nfs/dbraw/zinc/50/64/07/1044506407.db2.gz YWNRYHJKWJMQML-UHFFFAOYSA-N 1 0 341.838 4.207 20 30 EIEDRO CC(C)(C[NH2+]Cc1cc(C#N)ccc1Br)CC(F)F ZINC000922330351 1044556930 /nfs/dbraw/zinc/55/69/30/1044556930.db2.gz LTBWQGSIZYHUOY-UHFFFAOYSA-N 1 0 331.204 4.092 20 30 EIEDRO C[C@@H]([C@H](C)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000542531280 1044574315 /nfs/dbraw/zinc/57/43/15/1044574315.db2.gz LKZQAXKJHVNFGB-GJZGRUSLSA-N 1 0 338.455 4.303 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000495043129 1044610773 /nfs/dbraw/zinc/61/07/73/1044610773.db2.gz DFXGDEXOHBUBET-IFXJQAMLSA-N 1 0 333.834 4.343 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000495072045 1044638919 /nfs/dbraw/zinc/63/89/19/1044638919.db2.gz ZMSGALFUPMDHFB-MGPUTAFESA-N 1 0 345.870 4.212 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193161063 1044656825 /nfs/dbraw/zinc/65/68/25/1044656825.db2.gz UFWZYPQWOKBILS-HNNXBMFYSA-N 1 0 340.854 4.256 20 30 EIEDRO COc1cccc(O)c1/C=N\C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000734749692 1044661096 /nfs/dbraw/zinc/66/10/96/1044661096.db2.gz LXMKJWIXYJUNLU-AABCQZNVSA-N 1 0 338.451 4.045 20 30 EIEDRO CC(C)C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccs1 ZINC000543484476 1044701533 /nfs/dbraw/zinc/70/15/33/1044701533.db2.gz BCNOKWJLPDVEGL-QGZVFWFLSA-N 1 0 341.480 4.325 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2c[nH]c3ccc(F)cc23)cc1 ZINC000735085958 1044740395 /nfs/dbraw/zinc/74/03/95/1044740395.db2.gz KUBVIIMLOAIINR-UHFFFAOYSA-N 1 0 336.410 4.041 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CCCc3sccc32)c(-c2ccc(C#N)cc2)n1 ZINC000123712688 1044761296 /nfs/dbraw/zinc/76/12/96/1044761296.db2.gz NKDQMMSGAXOYFM-GOSISDBHSA-N 1 0 348.475 4.187 20 30 EIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cc1 ZINC000154333525 1044773498 /nfs/dbraw/zinc/77/34/98/1044773498.db2.gz FONCZTOZRDXCHJ-CVEARBPZSA-N 1 0 330.435 4.464 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000735309089 1044785952 /nfs/dbraw/zinc/78/59/52/1044785952.db2.gz FPKKSFBDWUYYRX-CQSZACIVSA-N 1 0 344.817 4.371 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OC)cc1OC(F)F ZINC000495203885 1044787821 /nfs/dbraw/zinc/78/78/21/1044787821.db2.gz XWXIYOMJVDCGPW-UHFFFAOYSA-N 1 0 337.366 4.120 20 30 EIEDRO C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000237319265 1044835246 /nfs/dbraw/zinc/83/52/46/1044835246.db2.gz CRODGRSMRXMFKE-AWEZNQCLSA-N 1 0 330.378 4.271 20 30 EIEDRO C=CCOCCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428927273 1044865249 /nfs/dbraw/zinc/86/52/49/1044865249.db2.gz IOYMUUHRHDJSHQ-YOEHRIQHSA-N 1 0 343.389 4.060 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CC[C@@H]3OCCc4ccccc43)cc2)CC1 ZINC000922957817 1044877379 /nfs/dbraw/zinc/87/73/79/1044877379.db2.gz ITCJJVUBSPEKBL-NRFANRHFSA-N 1 0 332.447 4.035 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)ccc1OC ZINC000766214223 1044880921 /nfs/dbraw/zinc/88/09/21/1044880921.db2.gz LQMJDKZYOVBWCU-UAGQMJEPSA-N 1 0 330.472 4.290 20 30 EIEDRO Cc1ccc(C)c(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1 ZINC000429287233 1044893681 /nfs/dbraw/zinc/89/36/81/1044893681.db2.gz LUBBBZDYERESMY-LJQANCHMSA-N 1 0 349.478 4.071 20 30 EIEDRO C[C@@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000237337834 1044895772 /nfs/dbraw/zinc/89/57/72/1044895772.db2.gz YBERQVPLLQGQOH-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000895799080 1044899062 /nfs/dbraw/zinc/89/90/62/1044899062.db2.gz GWFPNBCVXIVBAR-CYBMUJFWSA-N 1 0 341.282 4.224 20 30 EIEDRO COc1ccc(Br)c(C[N@H+](C)CCCC(C)(C)C#N)c1 ZINC000429297965 1044913993 /nfs/dbraw/zinc/91/39/93/1044913993.db2.gz WEGNIEWQNGSWQZ-UHFFFAOYSA-N 1 0 339.277 4.219 20 30 EIEDRO Fc1cccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1OCC(F)(F)F ZINC000922728189 1044915507 /nfs/dbraw/zinc/91/55/07/1044915507.db2.gz HMOWBLPADZFACJ-VHSXEESVSA-N 1 0 345.258 4.055 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000736629526 1044961438 /nfs/dbraw/zinc/96/14/38/1044961438.db2.gz QFOISRFEVBVFFH-IBGZPJMESA-N 1 0 338.426 4.031 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)CC2 ZINC000280182825 1044968506 /nfs/dbraw/zinc/96/85/06/1044968506.db2.gz RUASNASIQMNPIS-MOPGFXCFSA-N 1 0 336.435 4.326 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCSC3(CCC3)C2)cc(OC)c1O ZINC000922846470 1044992690 /nfs/dbraw/zinc/99/26/90/1044992690.db2.gz VZWSMJASGWSCKV-MRXNPFEDSA-N 1 0 333.497 4.037 20 30 EIEDRO CC1CC[NH+](Cc2ccc(NCc3ccc(C#N)s3)cc2)CC1 ZINC000156077654 1045001658 /nfs/dbraw/zinc/00/16/58/1045001658.db2.gz VOBOTBPSWJNPOB-UHFFFAOYSA-N 1 0 325.481 4.464 20 30 EIEDRO CCCCCCCC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000915084008 1045070220 /nfs/dbraw/zinc/07/02/20/1045070220.db2.gz JCUATQNIRPITSL-UHFFFAOYSA-N 1 0 330.516 4.170 20 30 EIEDRO CCOc1cccc(/C=N/C[C@@H](c2ccsc2)[NH+](CC)CC)c1O ZINC000915115116 1045114008 /nfs/dbraw/zinc/11/40/08/1045114008.db2.gz XQRIIJPUKZHKGX-RONKMWSCSA-N 1 0 346.496 4.354 20 30 EIEDRO N#Cc1cccc([C@@H]2CN(Cc3ccc(C4CCC4)cc3)CCO2)c1 ZINC000509107019 1045136243 /nfs/dbraw/zinc/13/62/43/1045136243.db2.gz GHWRUJBKEVDKEZ-QFIPXVFZSA-N 1 0 332.447 4.399 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000186713614 1045150408 /nfs/dbraw/zinc/15/04/08/1045150408.db2.gz CGVNROBFWHHNHB-HUUCEWRRSA-N 1 0 348.899 4.368 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CCOC2CCOCC2)C(C)(C)C)cc1 ZINC000625218578 1045163602 /nfs/dbraw/zinc/16/36/02/1045163602.db2.gz PDROEWMNJUOPIJ-UHFFFAOYSA-N 1 0 347.499 4.048 20 30 EIEDRO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(OCC#N)cc3)C2)cc1 ZINC000245929159 1045193081 /nfs/dbraw/zinc/19/30/81/1045193081.db2.gz SBVSDFOBSHKZBL-QUCCMNQESA-N 1 0 349.478 4.217 20 30 EIEDRO CC[N@H+](Cc1c(F)ccc(C#N)c1F)[C@H](C)Cc1ccc(OC)cc1 ZINC001143164661 1045200018 /nfs/dbraw/zinc/20/00/18/1045200018.db2.gz MUPURRYLASLZPZ-CQSZACIVSA-N 1 0 344.405 4.298 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2ccccc2Cl)c(O)c1 ZINC000740763878 1045219211 /nfs/dbraw/zinc/21/92/11/1045219211.db2.gz SAVODAIKLXEARF-GFIJVFARSA-N 1 0 346.858 4.044 20 30 EIEDRO C#CC[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 ZINC000740875876 1045235351 /nfs/dbraw/zinc/23/53/51/1045235351.db2.gz JYNPPLXUPOWUKR-UHFFFAOYSA-N 1 0 343.858 4.200 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccncc1 ZINC000766021992 1045236993 /nfs/dbraw/zinc/23/69/93/1045236993.db2.gz VRBRHLNIIASJIG-UZLBHIALSA-N 1 0 335.451 4.176 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc1 ZINC000762462229 1045247289 /nfs/dbraw/zinc/24/72/89/1045247289.db2.gz UAVCNIKNMXJIOS-UHFFFAOYSA-N 1 0 343.515 4.110 20 30 EIEDRO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1cccc(C#N)c1 ZINC000611193016 1045261019 /nfs/dbraw/zinc/26/10/19/1045261019.db2.gz ODMCFICPMXGIIH-LAUBAEHRSA-N 1 0 333.479 4.262 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611350342 1045289332 /nfs/dbraw/zinc/28/93/32/1045289332.db2.gz JDJOPEYCTZFJSG-ROUUACIJSA-N 1 0 326.484 4.126 20 30 EIEDRO CCCCCc1ccc([C@@H]([NH2+]C2CCN(CC#N)CC2)C2CC2)cc1 ZINC000611366238 1045292707 /nfs/dbraw/zinc/29/27/07/1045292707.db2.gz WJXZBCGNMIADEQ-JOCHJYFZSA-N 1 0 339.527 4.448 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cccc2cccnc21 ZINC000611390699 1045296297 /nfs/dbraw/zinc/29/62/97/1045296297.db2.gz PVMBJFIVJOWAOO-OAQYLSRUSA-N 1 0 327.431 4.316 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccccc2n1 ZINC000611393671 1045298470 /nfs/dbraw/zinc/29/84/70/1045298470.db2.gz ZJQFTWPKYDYLQA-FQEVSTJZSA-N 1 0 343.430 4.282 20 30 EIEDRO Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611394427 1045298742 /nfs/dbraw/zinc/29/87/42/1045298742.db2.gz IZNQHJDAIINASM-OAQYLSRUSA-N 1 0 342.446 4.220 20 30 EIEDRO COc1ccc(O[C@@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611393189 1045298934 /nfs/dbraw/zinc/29/89/34/1045298934.db2.gz NNZDTYOMKFYVQF-BTYIYWSLSA-N 1 0 336.435 4.001 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000611392935 1045299044 /nfs/dbraw/zinc/29/90/44/1045299044.db2.gz WWPCMEWNBMYANE-SIKLNZKXSA-N 1 0 331.463 4.194 20 30 EIEDRO COC[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000611397084 1045301378 /nfs/dbraw/zinc/30/13/78/1045301378.db2.gz YBNXZIWAOHXXRW-OAHLLOKOSA-N 1 0 328.378 4.312 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000611402911 1045302354 /nfs/dbraw/zinc/30/23/54/1045302354.db2.gz CDAQCLWRYHOZLP-KRWDZBQOSA-N 1 0 333.357 4.459 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 ZINC000611438183 1045308112 /nfs/dbraw/zinc/30/81/12/1045308112.db2.gz BMUXZPVTIICWJU-WBVHZDCISA-N 1 0 339.870 4.389 20 30 EIEDRO C[C@@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000611438340 1045308593 /nfs/dbraw/zinc/30/85/93/1045308593.db2.gz YGRLFCOZQWVJRU-GCJKJVERSA-N 1 0 333.479 4.436 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000611438464 1045308706 /nfs/dbraw/zinc/30/87/06/1045308706.db2.gz SSIZKTDLYLOIBB-OAHLLOKOSA-N 1 0 333.435 4.225 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 ZINC000611438182 1045308749 /nfs/dbraw/zinc/30/87/49/1045308749.db2.gz BMUXZPVTIICWJU-RDJZCZTQSA-N 1 0 339.870 4.389 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)CCC(C)(C)C#N ZINC000611462591 1045310195 /nfs/dbraw/zinc/31/01/95/1045310195.db2.gz WESNGEZMYHLTIR-UHFFFAOYSA-N 1 0 329.419 4.285 20 30 EIEDRO COc1ccccc1C(C)(C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000611465569 1045316660 /nfs/dbraw/zinc/31/66/60/1045316660.db2.gz ADJGFARHXGWONX-CQSZACIVSA-N 1 0 326.415 4.334 20 30 EIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000611488223 1045317325 /nfs/dbraw/zinc/31/73/25/1045317325.db2.gz GMOXFHGGPFRQOD-IBGZPJMESA-N 1 0 349.482 4.104 20 30 EIEDRO CC1(C)C[C@H]([N@H+](Cc2ccccc2)Cc2ccnc(C#N)c2)C(C)(C)O1 ZINC000611484071 1045318010 /nfs/dbraw/zinc/31/80/10/1045318010.db2.gz HFEHGMAKMROTDL-FQEVSTJZSA-N 1 0 349.478 4.302 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(C#N)nc3ccccc32)C1 ZINC000611509687 1045319868 /nfs/dbraw/zinc/31/98/68/1045319868.db2.gz AJZIBMFQCNNYAL-ROUUACIJSA-N 1 0 348.494 4.197 20 30 EIEDRO CC(=O)Oc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000762632657 1045320280 /nfs/dbraw/zinc/32/02/80/1045320280.db2.gz HVOBKIVPRFQHHX-UHFFFAOYSA-N 1 0 336.435 4.142 20 30 EIEDRO CC(C)COc1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171676156 1045331521 /nfs/dbraw/zinc/33/15/21/1045331521.db2.gz USVMKKDJISAIFR-QGZVFWFLSA-N 1 0 338.451 4.475 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000236691111 1045362952 /nfs/dbraw/zinc/36/29/52/1045362952.db2.gz WBORHAOULXCUKU-UHFFFAOYSA-N 1 0 346.421 4.355 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000272305766 1045410048 /nfs/dbraw/zinc/41/00/48/1045410048.db2.gz SEYCJCPMRFMSIQ-QGZVFWFLSA-N 1 0 342.446 4.143 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000153684352 1045446525 /nfs/dbraw/zinc/44/65/25/1045446525.db2.gz HHALCFCDWPMKLQ-FGSXEWAUSA-N 1 0 333.479 4.119 20 30 EIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000790674268 1045553075 /nfs/dbraw/zinc/55/30/75/1045553075.db2.gz XCQOAYNNCFXDCI-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cnnn1CC)c1ccc(C(F)(F)F)cc1 ZINC000459388688 1045783214 /nfs/dbraw/zinc/78/32/14/1045783214.db2.gz OZNIEPQMSWEADY-INIZCTEOSA-N 1 0 338.377 4.114 20 30 EIEDRO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763232647 1045788377 /nfs/dbraw/zinc/78/83/77/1045788377.db2.gz AEJVUCPWTRUHLZ-SFHVURJKSA-N 1 0 349.261 4.421 20 30 EIEDRO CC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000763242903 1045789759 /nfs/dbraw/zinc/78/97/59/1045789759.db2.gz XVMOEGYETKAXIJ-STZQEDGTSA-N 1 0 334.463 4.107 20 30 EIEDRO C=CC[N@@H+](Cc1cc(OC)ccc1OCc1ccccn1)C(C)C ZINC000768548080 1045822304 /nfs/dbraw/zinc/82/23/04/1045822304.db2.gz VZQSQKHFXWEQFN-UHFFFAOYSA-N 1 0 326.440 4.066 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H]2CCC[C@H](C)C2)ccc1OC ZINC000768598788 1045824925 /nfs/dbraw/zinc/82/49/25/1045824925.db2.gz RPFGCIQMNHIKQS-XYJFISCASA-N 1 0 330.472 4.292 20 30 EIEDRO CC[NH+](CC)Cc1cccc(CN=Cc2cc3ccccc3[nH]c2=O)c1 ZINC000915980754 1045853060 /nfs/dbraw/zinc/85/30/60/1045853060.db2.gz BULUHNZVTOGPKZ-HAHDFKILSA-N 1 0 347.462 4.401 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000768936478 1045861194 /nfs/dbraw/zinc/86/11/94/1045861194.db2.gz FBQOQQMXJMGGDQ-UHFFFAOYSA-N 1 0 349.478 4.233 20 30 EIEDRO CCO[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C12CCCCC2 ZINC001169997948 1045867676 /nfs/dbraw/zinc/86/76/76/1045867676.db2.gz CHMOAIUQIZHORX-OALUTQOASA-N 1 0 331.887 4.409 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H](O)c1ccc(F)cc1 ZINC000792233270 1045880189 /nfs/dbraw/zinc/88/01/89/1045880189.db2.gz ZANSFASMFVPKMQ-FQEVSTJZSA-N 1 0 344.405 4.028 20 30 EIEDRO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000248720211 1045881811 /nfs/dbraw/zinc/88/18/11/1045881811.db2.gz LQGLCVMOKMJEHC-KXBFYZLASA-N 1 0 340.423 4.054 20 30 EIEDRO C#CCCOc1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000769316361 1045921432 /nfs/dbraw/zinc/92/14/32/1045921432.db2.gz OEMGTPXDONENLI-QFIPXVFZSA-N 1 0 335.447 4.052 20 30 EIEDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237394733 1045956611 /nfs/dbraw/zinc/95/66/11/1045956611.db2.gz YWQAFAOREXDUFX-YLJYHZDGSA-N 1 0 330.472 4.054 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1 ZINC000769465338 1045982672 /nfs/dbraw/zinc/98/26/72/1045982672.db2.gz FYIKUZCFORBJJR-GPMSIDNRSA-N 1 0 338.426 4.495 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000161514965 1045991598 /nfs/dbraw/zinc/99/15/98/1045991598.db2.gz ASBJUDVDEKJIIP-OAHLLOKOSA-N 1 0 326.396 4.319 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001170289862 1045991697 /nfs/dbraw/zinc/99/16/97/1045991697.db2.gz AJKRXBVSXMUIQG-UXHICEINSA-N 1 0 340.854 4.472 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001170326794 1045999657 /nfs/dbraw/zinc/99/96/57/1045999657.db2.gz NLOPRGGXMWACDN-DNVCBOLYSA-N 1 0 340.423 4.441 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000161520997 1046001562 /nfs/dbraw/zinc/00/15/62/1046001562.db2.gz JBWULRKROHRUHX-SFHVURJKSA-N 1 0 326.396 4.401 20 30 EIEDRO Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1C#N ZINC001170333377 1046005965 /nfs/dbraw/zinc/00/59/65/1046005965.db2.gz PKOGBNDKHDVXMN-OWZKRDHZSA-N 1 0 331.463 4.474 20 30 EIEDRO C=CC[C@H]([NH2+]C[C@H](C)Cc1ccc(OC)c(F)c1)c1ccncc1 ZINC000769518650 1046007269 /nfs/dbraw/zinc/00/72/69/1046007269.db2.gz IJFMFSIXKFWQSC-BEFAXECRSA-N 1 0 328.431 4.315 20 30 EIEDRO Cc1ccc2ncc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)n2c1 ZINC001170360420 1046012490 /nfs/dbraw/zinc/01/24/90/1046012490.db2.gz YGNNURFBXQTRJU-UHFFFAOYSA-N 1 0 344.462 4.137 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(=O)c2ccccc2F)CC1 ZINC001170358940 1046014175 /nfs/dbraw/zinc/01/41/75/1046014175.db2.gz HFNNRMXAHHWMOY-UHFFFAOYSA-N 1 0 336.410 4.002 20 30 EIEDRO C/C(=N\O)c1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001170337757 1046017607 /nfs/dbraw/zinc/01/76/07/1046017607.db2.gz XNIIRZMBPWAVNQ-YNNVCOHPSA-N 1 0 349.478 4.492 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2c3ccccc3CC[C@H]2O)CC1 ZINC001170369244 1046017972 /nfs/dbraw/zinc/01/79/72/1046017972.db2.gz UVMMJDDJRKUPMB-JZEAKTPCSA-N 1 0 346.474 4.029 20 30 EIEDRO C#Cc1cccc(NC(=S)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000769551973 1046018571 /nfs/dbraw/zinc/01/85/71/1046018571.db2.gz KCQAZSVCLFIHGA-UHFFFAOYSA-N 1 0 349.503 4.115 20 30 EIEDRO CCOc1ccc(O)c(C=Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000769550640 1046019014 /nfs/dbraw/zinc/01/90/14/1046019014.db2.gz CKRLYIXTQSDZJO-UHFFFAOYSA-N 1 0 338.451 4.180 20 30 EIEDRO Cc1cccnc1C1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170373467 1046030563 /nfs/dbraw/zinc/03/05/63/1046030563.db2.gz FTZVMMJCQXRCLN-UHFFFAOYSA-N 1 0 345.490 4.415 20 30 EIEDRO Cc1ccnc(C2(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2)c1 ZINC001170374379 1046032079 /nfs/dbraw/zinc/03/20/79/1046032079.db2.gz ZYEDTOPLQBIWND-UHFFFAOYSA-N 1 0 345.490 4.415 20 30 EIEDRO N#Cc1ccc2c(c1)CC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170378407 1046032396 /nfs/dbraw/zinc/03/23/96/1046032396.db2.gz AHOBVRHXCVBLHZ-UHFFFAOYSA-N 1 0 341.458 4.321 20 30 EIEDRO COc1cccc2c1OC[C@@H]2[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376269 1046032956 /nfs/dbraw/zinc/03/29/56/1046032956.db2.gz NEBUGAPSSIOZPO-OZWAEMERSA-N 1 0 348.446 4.122 20 30 EIEDRO C[C@H](CC#N)N(C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000161859138 1046041355 /nfs/dbraw/zinc/04/13/55/1046041355.db2.gz ZSABXMCILBHWML-MRXNPFEDSA-N 1 0 337.423 4.041 20 30 EIEDRO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001170414057 1046045333 /nfs/dbraw/zinc/04/53/33/1046045333.db2.gz YMSIEQBTWSOZJS-GOSISDBHSA-N 1 0 336.435 4.133 20 30 EIEDRO CCc1noc(C)c1[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000769873741 1046101992 /nfs/dbraw/zinc/10/19/92/1046101992.db2.gz IILIIGVMFGPSAV-CYBMUJFWSA-N 1 0 329.469 4.001 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1 ZINC000496929306 1046105390 /nfs/dbraw/zinc/10/53/90/1046105390.db2.gz SHBLKLASHKXVQV-UXHICEINSA-N 1 0 349.434 4.037 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170423867 1046117225 /nfs/dbraw/zinc/11/72/25/1046117225.db2.gz JQJQXJSPDAUUAC-HNAYVOBHSA-N 1 0 335.407 4.407 20 30 EIEDRO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763399012 1046126732 /nfs/dbraw/zinc/12/67/32/1046126732.db2.gz YRLITQSQGUKFNS-ACJLOTCBSA-N 1 0 348.368 4.303 20 30 EIEDRO CCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1OC ZINC000763409101 1046136207 /nfs/dbraw/zinc/13/62/07/1046136207.db2.gz TVSRYJCDWJDVEM-OXJNMPFZSA-N 1 0 338.451 4.073 20 30 EIEDRO N#Cc1csc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000770294837 1046173192 /nfs/dbraw/zinc/17/31/92/1046173192.db2.gz QVLCTGHNLDIZIC-AZUAARDMSA-N 1 0 340.492 4.488 20 30 EIEDRO N#Cc1csc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000770294839 1046173774 /nfs/dbraw/zinc/17/37/74/1046173774.db2.gz QVLCTGHNLDIZIC-QUCCMNQESA-N 1 0 340.492 4.488 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1F ZINC000192085376 1046181674 /nfs/dbraw/zinc/18/16/74/1046181674.db2.gz VIRTUJABSOXMEV-MRXNPFEDSA-N 1 0 335.382 4.218 20 30 EIEDRO C#CCCOc1ccc(CNc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000770485797 1046214894 /nfs/dbraw/zinc/21/48/94/1046214894.db2.gz TYPCSZZAKSMTHK-UHFFFAOYSA-N 1 0 334.463 4.297 20 30 EIEDRO CCCCCCCC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000793487511 1046255764 /nfs/dbraw/zinc/25/57/64/1046255764.db2.gz HHRJNOJKRXDVEC-UHFFFAOYSA-N 1 0 346.515 4.136 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000611873146 1046282768 /nfs/dbraw/zinc/28/27/68/1046282768.db2.gz HWXSCBBSIURKHF-OAQYLSRUSA-N 1 0 342.446 4.044 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1 ZINC000793564675 1046293647 /nfs/dbraw/zinc/29/36/47/1046293647.db2.gz JBAKCLHBPOLXBQ-HZPDHXFCSA-N 1 0 327.476 4.351 20 30 EIEDRO CC(C)(C)[C@H](COc1ccccc1F)[NH2+]Cc1ccc(F)cc1C#N ZINC001168518594 1046311718 /nfs/dbraw/zinc/31/17/18/1046311718.db2.gz FCPHIOAYTQCKNO-IBGZPJMESA-N 1 0 344.405 4.420 20 30 EIEDRO C=CCc1cc(C[N@H+](CC)CCc2cccs2)cc(OC)c1O ZINC000508733886 1046468271 /nfs/dbraw/zinc/46/82/71/1046468271.db2.gz LUPMRADCHBBAJZ-UHFFFAOYSA-N 1 0 331.481 4.255 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000804465118 1046532920 /nfs/dbraw/zinc/53/29/20/1046532920.db2.gz DNZBLAPBSSGNMP-GFCCVEGCSA-N 1 0 346.887 4.306 20 30 EIEDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000497269485 1046539185 /nfs/dbraw/zinc/53/91/85/1046539185.db2.gz PISUNFVGGHYLBH-ZIAGYGMSSA-N 1 0 349.450 4.041 20 30 EIEDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)c1C ZINC000536659092 1046604867 /nfs/dbraw/zinc/60/48/67/1046604867.db2.gz DEMFJJCYXLLNQG-HXUWFJFHSA-N 1 0 330.435 4.160 20 30 EIEDRO C=CCc1cc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc(OC)c1O ZINC000536681653 1046645942 /nfs/dbraw/zinc/64/59/42/1046645942.db2.gz PJIAFMDOTIJDEV-LJQANCHMSA-N 1 0 345.483 4.053 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc3cccnc32)ccc1OC ZINC000127291412 1046645956 /nfs/dbraw/zinc/64/59/56/1046645956.db2.gz BNYVQEOKCSBACQ-UHFFFAOYSA-N 1 0 348.446 4.488 20 30 EIEDRO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cc1 ZINC000536684488 1046667595 /nfs/dbraw/zinc/66/75/95/1046667595.db2.gz GLPZMEUUKABGKZ-HXUWFJFHSA-N 1 0 330.435 4.242 20 30 EIEDRO Fc1ccc(C[NH2+]CCSCC(F)(F)F)c(C(F)(F)F)c1 ZINC000536703348 1046705311 /nfs/dbraw/zinc/70/53/11/1046705311.db2.gz XVHSSORZXWXKOB-UHFFFAOYSA-N 1 0 335.288 4.230 20 30 EIEDRO Cc1c(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)sc2nc(C)nc(C)c12 ZINC000785617092 1046729063 /nfs/dbraw/zinc/72/90/63/1046729063.db2.gz JKKMVWHOVBIBFE-QGZVFWFLSA-N 1 0 348.475 4.265 20 30 EIEDRO C=CCCCN(C)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000536722377 1046731819 /nfs/dbraw/zinc/73/18/19/1046731819.db2.gz SNHNCEKQKHBFDI-UHFFFAOYSA-N 1 0 343.515 4.391 20 30 EIEDRO C[C@H]1CCC[C@@H](C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 ZINC000536740446 1046748021 /nfs/dbraw/zinc/74/80/21/1046748021.db2.gz UDHMVTHOAZLKON-FUHWJXTLSA-N 1 0 339.483 4.035 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]1Sc1ccccc1 ZINC000459557615 1046775390 /nfs/dbraw/zinc/77/53/90/1046775390.db2.gz HMFUTDLXWDCRKO-KZNAEPCWSA-N 1 0 332.513 4.244 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459588721 1046788897 /nfs/dbraw/zinc/78/88/97/1046788897.db2.gz HSYZOJSVYVPYEX-YOEHRIQHSA-N 1 0 333.863 4.070 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170467964 1046813553 /nfs/dbraw/zinc/81/35/53/1046813553.db2.gz FZBQQAWNEOPHRG-PDOICOKGSA-N 1 0 336.520 4.335 20 30 EIEDRO COc1cccc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000536876667 1046839020 /nfs/dbraw/zinc/83/90/20/1046839020.db2.gz NPEXJZXJGLPSBG-AWEZNQCLSA-N 1 0 333.353 4.416 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000786580237 1046850500 /nfs/dbraw/zinc/85/05/00/1046850500.db2.gz OASIOEFMQLTBRR-SFHVURJKSA-N 1 0 339.460 4.034 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)c(Br)c1 ZINC000459725600 1046865278 /nfs/dbraw/zinc/86/52/78/1046865278.db2.gz DFGMFESVJPFISJ-NSHDSACASA-N 1 0 325.250 4.048 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000536994640 1046883977 /nfs/dbraw/zinc/88/39/77/1046883977.db2.gz JSUIMGRUJGAQQW-MRXNPFEDSA-N 1 0 332.488 4.325 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(N2CCCC2=O)cc1 ZINC000787025460 1046893006 /nfs/dbraw/zinc/89/30/06/1046893006.db2.gz GVQIFJBDJSXKRP-QVKFZJNVSA-N 1 0 345.446 4.023 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)ccc1OC(C)C ZINC000537050288 1046914356 /nfs/dbraw/zinc/91/43/56/1046914356.db2.gz HTTWABWVLYLVMM-CQSZACIVSA-N 1 0 342.414 4.344 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000537097206 1046927951 /nfs/dbraw/zinc/92/79/51/1046927951.db2.gz DKZXDKMJNPCNHL-IRXDYDNUSA-N 1 0 325.452 4.197 20 30 EIEDRO CC[N@H+](C[C@H](O)c1ccc(F)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000746659508 1046928738 /nfs/dbraw/zinc/92/87/38/1046928738.db2.gz WAOYEAHEINGNCR-YWZLYKJASA-N 1 0 326.415 4.122 20 30 EIEDRO C=CCC(CC=C)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000467534995 1047035397 /nfs/dbraw/zinc/03/53/97/1047035397.db2.gz FIJIPVFMWJEKQN-QGZVFWFLSA-N 1 0 342.483 4.114 20 30 EIEDRO CC1CCN([C@@H](C[NH2+]Cc2ccc(C#N)s2)c2ccccc2)CC1 ZINC000537275412 1047065300 /nfs/dbraw/zinc/06/53/00/1047065300.db2.gz XNKGLWICOIITAO-FQEVSTJZSA-N 1 0 339.508 4.183 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)(C)C ZINC000537290840 1047072805 /nfs/dbraw/zinc/07/28/05/1047072805.db2.gz MBGGZUCAXAXBNO-PBHICJAKSA-N 1 0 347.528 4.291 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000537292861 1047075063 /nfs/dbraw/zinc/07/50/63/1047075063.db2.gz ASZIEQUEAPCWQS-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO Cc1cc(C)cc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000537295797 1047077134 /nfs/dbraw/zinc/07/71/34/1047077134.db2.gz PUHMPPDCMJOQPC-IBGZPJMESA-N 1 0 347.506 4.490 20 30 EIEDRO N#Cc1ccccc1-c1ccccc1C(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788119838 1047108494 /nfs/dbraw/zinc/10/84/94/1047108494.db2.gz ONXHFYFUKPLYDN-QZTJIDSGSA-N 1 0 346.430 4.009 20 30 EIEDRO C#C[C@@H](CCC)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000806134753 1047128736 /nfs/dbraw/zinc/12/87/36/1047128736.db2.gz BPIUBJIVSUYVQE-SFHVURJKSA-N 1 0 341.499 4.375 20 30 EIEDRO C#CCC1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CCCCC1 ZINC000788235638 1047149485 /nfs/dbraw/zinc/14/94/85/1047149485.db2.gz XKCBNVGFHIDPHY-UHFFFAOYSA-N 1 0 344.543 4.075 20 30 EIEDRO C#CCC1(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CCCCC1 ZINC000788235502 1047151488 /nfs/dbraw/zinc/15/14/88/1047151488.db2.gz VNHUHBYIWIZTAL-UHFFFAOYSA-N 1 0 344.543 4.120 20 30 EIEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000806619100 1047329851 /nfs/dbraw/zinc/32/98/51/1047329851.db2.gz XSKVGDNKSPBUIB-AZUAARDMSA-N 1 0 329.447 4.158 20 30 EIEDRO COc1c2ccccc2oc1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000788969037 1047337689 /nfs/dbraw/zinc/33/76/89/1047337689.db2.gz GCACFZFFWMDDOU-UHFFFAOYSA-N 1 0 349.434 4.081 20 30 EIEDRO C#CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001170095422 1047346996 /nfs/dbraw/zinc/34/69/96/1047346996.db2.gz RCJILEGFFVWKCF-SFHVURJKSA-N 1 0 334.246 4.162 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccnc(Cl)c3Cl)sc2C1 ZINC001212232175 1047353766 /nfs/dbraw/zinc/35/37/66/1047353766.db2.gz ZLUBMJNFYCJCEO-UHFFFAOYSA-N 1 0 339.251 4.053 20 30 EIEDRO C=CCCCCCCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000807094161 1047411842 /nfs/dbraw/zinc/41/18/42/1047411842.db2.gz UXRDCSWRHMARLN-QZTJIDSGSA-N 1 0 335.536 4.075 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCC3(CC3)C2)cc1OCCCC#N ZINC000897773526 1047479962 /nfs/dbraw/zinc/47/99/62/1047479962.db2.gz JZHXFBZAUHHYJX-KRWDZBQOSA-N 1 0 328.456 4.190 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000763431154 1047561166 /nfs/dbraw/zinc/56/11/66/1047561166.db2.gz BJEIQGKDVQYLGG-UHFFFAOYSA-N 1 0 336.822 4.190 20 30 EIEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000556218682 1047591950 /nfs/dbraw/zinc/59/19/50/1047591950.db2.gz ZFUQNLVSHGGXMH-CYBMUJFWSA-N 1 0 338.879 4.258 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)cc1C#N ZINC000790483856 1047596933 /nfs/dbraw/zinc/59/69/33/1047596933.db2.gz LALWAALYOGKFLK-UHFFFAOYSA-N 1 0 336.366 4.256 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](C)c2cc(C)ccc2C)CC1 ZINC000106275709 1047671465 /nfs/dbraw/zinc/67/14/65/1047671465.db2.gz TYXCOMLLTWRQHG-GOSISDBHSA-N 1 0 343.515 4.046 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000556483436 1047786204 /nfs/dbraw/zinc/78/62/04/1047786204.db2.gz WGHGKSSTEQMHSH-YLJYHZDGSA-N 1 0 342.446 4.333 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000556510697 1047804125 /nfs/dbraw/zinc/80/41/25/1047804125.db2.gz NXMWPJLVJQVYFU-UHFFFAOYSA-N 1 0 340.348 4.207 20 30 EIEDRO N#Cc1ccc(CC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000194879813 1047811021 /nfs/dbraw/zinc/81/10/21/1047811021.db2.gz PYEBQBFDXLQPHX-UHFFFAOYSA-N 1 0 347.462 4.115 20 30 EIEDRO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC001168309408 1047817597 /nfs/dbraw/zinc/81/75/97/1047817597.db2.gz MDHJGLYZNAOTHS-AWEZNQCLSA-N 1 0 348.368 4.133 20 30 EIEDRO C=CCCC1(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000476455461 1047817686 /nfs/dbraw/zinc/81/76/86/1047817686.db2.gz DRGHUJMSBUYZHP-ICSRJNTNSA-N 1 0 340.511 4.150 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(Br)cc1F ZINC000618742934 1047822686 /nfs/dbraw/zinc/82/26/86/1047822686.db2.gz TVGUYSODKKKEBZ-QGZVFWFLSA-N 1 0 345.215 4.237 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccnn1-c1ccccc1 ZINC000556610501 1047840307 /nfs/dbraw/zinc/84/03/07/1047840307.db2.gz ZZQWNHCBGIMUIB-MRXNPFEDSA-N 1 0 328.419 4.084 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C1CCCC1 ZINC000824297204 1047852174 /nfs/dbraw/zinc/85/21/74/1047852174.db2.gz RBZCMFIXITUXLI-GNZRSQJKSA-N 1 0 349.519 4.132 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000824468143 1047876852 /nfs/dbraw/zinc/87/68/52/1047876852.db2.gz CMUJYFOEJBHLBG-XCLFUZPHSA-N 1 0 342.389 4.423 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000824468141 1047877922 /nfs/dbraw/zinc/87/79/22/1047877922.db2.gz CMUJYFOEJBHLBG-RNODOKPDSA-N 1 0 342.389 4.423 20 30 EIEDRO COCc1ccccc1/C=C(\C)C=[NH+]n1cnnc1-c1ccccc1 ZINC000814216884 1047891453 /nfs/dbraw/zinc/89/14/53/1047891453.db2.gz HIRNHKAMRLQCNW-VWJKXXJMSA-N 1 0 332.407 4.029 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1Cl ZINC000808444361 1047902754 /nfs/dbraw/zinc/90/27/54/1047902754.db2.gz GZNAULYWCCLCAH-LIRRHRJNSA-N 1 0 331.843 4.117 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1Cl ZINC000808444360 1047903566 /nfs/dbraw/zinc/90/35/66/1047903566.db2.gz GZNAULYWCCLCAH-KUHUBIRLSA-N 1 0 331.843 4.117 20 30 EIEDRO C=CCCC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000498941345 1047996320 /nfs/dbraw/zinc/99/63/20/1047996320.db2.gz RZDPTACAJDPJHY-UHFFFAOYSA-N 1 0 327.299 4.120 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136976483 1048015117 /nfs/dbraw/zinc/01/51/17/1048015117.db2.gz CGKGZOKBYOMEEK-UHFFFAOYSA-N 1 0 333.410 4.364 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(c3cccc(Cl)c3)C2)cc1 ZINC000824987941 1048016895 /nfs/dbraw/zinc/01/68/95/1048016895.db2.gz FBTYWCCAQDNMHF-AWEZNQCLSA-N 1 0 326.827 4.230 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000556886608 1048105531 /nfs/dbraw/zinc/10/55/31/1048105531.db2.gz XGZKKDRYOXDBHC-BHIFYINESA-N 1 0 334.463 4.194 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(F)c2ccccc21 ZINC000808769108 1048116901 /nfs/dbraw/zinc/11/69/01/1048116901.db2.gz SVPIQLWQPBHLRG-SZNDQCEHSA-N 1 0 334.394 4.235 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@@H]2C)ccc1Cl ZINC000217141823 1048146429 /nfs/dbraw/zinc/14/64/29/1048146429.db2.gz VABICGVZMGSGMD-KSSFIOAISA-N 1 0 347.890 4.063 20 30 EIEDRO CCOc1c(F)cc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1Cl ZINC001143740354 1048180199 /nfs/dbraw/zinc/18/01/99/1048180199.db2.gz CQVFQLWPBSDZQR-UHFFFAOYSA-N 1 0 332.806 4.381 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000556911825 1048187384 /nfs/dbraw/zinc/18/73/84/1048187384.db2.gz PSSYFNFDCMAETB-OAHLLOKOSA-N 1 0 326.396 4.319 20 30 EIEDRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC000815060906 1048312591 /nfs/dbraw/zinc/31/25/91/1048312591.db2.gz FSAZULNJMMFKMH-XHSDSOJGSA-N 1 0 334.895 4.330 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1O ZINC000919952122 1048336614 /nfs/dbraw/zinc/33/66/14/1048336614.db2.gz RYXUMRAOUCFWPA-FQEVSTJZSA-N 1 0 338.451 4.252 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)cc1 ZINC000809606478 1048414332 /nfs/dbraw/zinc/41/43/32/1048414332.db2.gz SXCPKTKVYDDVIR-UHFFFAOYSA-N 1 0 327.431 4.121 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Oc3cccc(OC)c3)nc2)cc1 ZINC000809607041 1048415280 /nfs/dbraw/zinc/41/52/80/1048415280.db2.gz NBVMBTCDPOITAW-UHFFFAOYSA-N 1 0 344.414 4.154 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000809625180 1048442225 /nfs/dbraw/zinc/44/22/25/1048442225.db2.gz YTKPVYHEWQQXOF-SGTLLEGYSA-N 1 0 334.246 4.186 20 30 EIEDRO CC(C)(C)Oc1ccc([C@@H]2CC[N@H+](Cc3ccc(C#N)cn3)C2)cc1 ZINC001144169321 1048482824 /nfs/dbraw/zinc/48/28/24/1048482824.db2.gz FSNQZMPPXMGHNZ-GOSISDBHSA-N 1 0 335.451 4.120 20 30 EIEDRO C=CCCC[C@@H](C(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccccc1 ZINC001131876575 1048527135 /nfs/dbraw/zinc/52/71/35/1048527135.db2.gz QEUJVGQNSFHLSX-HXUWFJFHSA-N 1 0 342.527 4.459 20 30 EIEDRO CN(C)[C@@H](C[NH2+]C#C[Si](C)(C)C)c1ccc(Cl)cc1Cl ZINC001170587487 1048537992 /nfs/dbraw/zinc/53/79/92/1048537992.db2.gz FHYLCCJTOBZMDQ-HNNXBMFYSA-N 1 0 329.347 4.024 20 30 EIEDRO CCCCCCC[N@H+](CC)Cc1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC001144279624 1048557952 /nfs/dbraw/zinc/55/79/52/1048557952.db2.gz YVRVPINXYGTVCA-UHFFFAOYSA-N 1 0 349.471 4.330 20 30 EIEDRO CCOc1cccc(/C=N/[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1O ZINC000920174130 1048571195 /nfs/dbraw/zinc/57/11/95/1048571195.db2.gz KIOLQSIBANIVNC-ISXIEHEGSA-N 1 0 338.451 4.045 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc(C)cc(Cl)c3C#N)c2c1 ZINC001171166363 1048601161 /nfs/dbraw/zinc/60/11/61/1048601161.db2.gz VCBVYZRYAZORBD-LBPRGKRZSA-N 1 0 338.842 4.057 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc(C)c(C)c(C)c3C#N)c2c1 ZINC001171164008 1048603138 /nfs/dbraw/zinc/60/31/38/1048603138.db2.gz FOOGRCQGGJTTGJ-ZDUSSCGKSA-N 1 0 332.451 4.021 20 30 EIEDRO C[C@@H](C#N)OCC[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000810082579 1048621599 /nfs/dbraw/zinc/62/15/99/1048621599.db2.gz TWCQFMDTXDCCME-BBRMVZONSA-N 1 0 342.405 4.181 20 30 EIEDRO N#CCSCCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000074980960 1048635626 /nfs/dbraw/zinc/63/56/26/1048635626.db2.gz JVKMFQHHUFZAJU-UHFFFAOYSA-N 1 0 328.403 4.317 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)ccc1OC ZINC000810144692 1048648609 /nfs/dbraw/zinc/64/86/09/1048648609.db2.gz FKKPMCSTNQHHSB-AYOQOUSVSA-N 1 0 342.483 4.458 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001171177807 1048649437 /nfs/dbraw/zinc/64/94/37/1048649437.db2.gz APHNVYZLGATSAE-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO Fc1cc2nc(N=NC3CC[NH+](C4CCCCC4)CC3)[nH]c2cc1F ZINC000920375900 1048657964 /nfs/dbraw/zinc/65/79/64/1048657964.db2.gz QHRNIIXWPXAJRK-UHFFFAOYSA-N 1 0 347.413 4.038 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)=NN[C@H](C)c2ccccc2)ccc1O ZINC000920382703 1048660273 /nfs/dbraw/zinc/66/02/73/1048660273.db2.gz MAGDUUWPABVDOQ-MRXNPFEDSA-N 1 0 339.483 4.309 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC001171178600 1048660822 /nfs/dbraw/zinc/66/08/22/1048660822.db2.gz HVZXIISMPPSEJA-ZDUSSCGKSA-N 1 0 334.341 4.178 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1Br ZINC001171182520 1048674123 /nfs/dbraw/zinc/67/41/23/1048674123.db2.gz WYLXMYIAPDDRKZ-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO CC1(C)Oc2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc2O1 ZINC001171182980 1048674326 /nfs/dbraw/zinc/67/43/26/1048674326.db2.gz YIUDVLBKVQCWEN-UHFFFAOYSA-N 1 0 334.375 4.090 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000810216650 1048685993 /nfs/dbraw/zinc/68/59/93/1048685993.db2.gz MJZWKNKWKCSCTE-HXUWFJFHSA-N 1 0 337.442 4.321 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)CC2 ZINC000810218088 1048686156 /nfs/dbraw/zinc/68/61/56/1048686156.db2.gz OSXBEUZUMXMLIC-QZTJIDSGSA-N 1 0 347.245 4.176 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(Br)nc1)c1ccncc1 ZINC000810219416 1048688246 /nfs/dbraw/zinc/68/82/46/1048688246.db2.gz RGZVVTHHEWZOMC-WFASDCNBSA-N 1 0 332.245 4.207 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CO)c1ccc(Cl)cc1Cl ZINC001171190334 1048693395 /nfs/dbraw/zinc/69/33/95/1048693395.db2.gz SDKHEODUTMQDHE-SGTLLEGYSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC[C@@H]1CCc2ccc3c(c21)CCO3 ZINC001171190468 1048693780 /nfs/dbraw/zinc/69/37/80/1048693780.db2.gz VEBZCTAXOOILGN-UZLBHIALSA-N 1 0 346.474 4.134 20 30 EIEDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)CC1 ZINC000772928252 1048697976 /nfs/dbraw/zinc/69/79/76/1048697976.db2.gz MVVCDZAOYHTWCD-UHFFFAOYSA-N 1 0 337.442 4.223 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCC(=O)OCc1ccccc1)CC2 ZINC000810235696 1048701646 /nfs/dbraw/zinc/70/16/46/1048701646.db2.gz TWTJUJGWSGGLPE-OAQYLSRUSA-N 1 0 348.446 4.049 20 30 EIEDRO C=CCC[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001135445110 1048721095 /nfs/dbraw/zinc/72/10/95/1048721095.db2.gz JTQPWINKFSVYEQ-IBGZPJMESA-N 1 0 328.500 4.117 20 30 EIEDRO COc1cccc(CC(C)(C)C[NH2+][C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171198225 1048721505 /nfs/dbraw/zinc/72/15/05/1048721505.db2.gz IYLLHBNPQSYNJJ-QGZVFWFLSA-N 1 0 336.479 4.356 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810239261 1048722493 /nfs/dbraw/zinc/72/24/93/1048722493.db2.gz YGNNTIZKYWLFTD-VMGRFDJRSA-N 1 0 343.389 4.433 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1C#N ZINC000810250990 1048730104 /nfs/dbraw/zinc/73/01/04/1048730104.db2.gz RSDBBYVJDUDNHA-KRWDZBQOSA-N 1 0 349.478 4.408 20 30 EIEDRO C#Cc1ccc(CN2CCO[C@](C)(c3ccc(Cl)cc3)C2)cc1 ZINC001144576579 1048736013 /nfs/dbraw/zinc/73/60/13/1048736013.db2.gz NOPARYCRTRKYTQ-FQEVSTJZSA-N 1 0 325.839 4.069 20 30 EIEDRO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000748050418 1048736868 /nfs/dbraw/zinc/73/68/68/1048736868.db2.gz AKSGHSOLUPLDLW-ZDUSSCGKSA-N 1 0 340.398 4.189 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC001171201803 1048756532 /nfs/dbraw/zinc/75/65/32/1048756532.db2.gz RDBNUVPFJXQTIG-ZUOKHONESA-N 1 0 326.390 4.435 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1cc(Br)cs1 ZINC001171201420 1048759800 /nfs/dbraw/zinc/75/98/00/1048759800.db2.gz LVYCOXQYTBOZQQ-GFCCVEGCSA-N 1 0 349.297 4.146 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1cccnc1Cl)C1CC1 ZINC001171202204 1048759874 /nfs/dbraw/zinc/75/98/74/1048759874.db2.gz XXFQILWKLOCXKF-SCLBCKFNSA-N 1 0 325.843 4.279 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2N2CCC(O)CC2)C1 ZINC000845935553 1048767955 /nfs/dbraw/zinc/76/79/55/1048767955.db2.gz DZHUIERRFIEXSU-JFIYKMOQSA-N 1 0 346.490 4.182 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000845977871 1048773811 /nfs/dbraw/zinc/77/38/11/1048773811.db2.gz RQVRMXWVWFHMIT-LZLYRXPVSA-N 1 0 328.456 4.429 20 30 EIEDRO Cc1cc(C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)ccc1C(F)(F)F ZINC000846006334 1048785829 /nfs/dbraw/zinc/78/58/29/1048785829.db2.gz IFJVAXJJZXKUHI-SFHVURJKSA-N 1 0 348.368 4.051 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000920943874 1048817472 /nfs/dbraw/zinc/81/74/72/1048817472.db2.gz LALXULLFXNRBIC-AHFVYKFHSA-N 1 0 338.451 4.047 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\C1CC[NH+](Cc2ccccc2)CC1 ZINC000920942517 1048817937 /nfs/dbraw/zinc/81/79/37/1048817937.db2.gz HXYIUAYNPNSCEO-BKUYFWCQSA-N 1 0 328.843 4.129 20 30 EIEDRO CCOc1ccc(/C=N\C[C@@H](c2ccccc2)[NH+]2CCCC2)c(O)c1 ZINC000920943808 1048818069 /nfs/dbraw/zinc/81/80/69/1048818069.db2.gz JKNHLWVZGAVSGL-AHFVYKFHSA-N 1 0 338.451 4.047 20 30 EIEDRO COc1ccc([C@H](C/N=C\c2ccccc2O)[NH+]2CCCCC2)cc1 ZINC000920944543 1048818735 /nfs/dbraw/zinc/81/87/35/1048818735.db2.gz OEKSLUDGISIACV-AHFVYKFHSA-N 1 0 338.451 4.047 20 30 EIEDRO N#Cc1ccc(CC2CC[NH+](Cc3cccc4cc[nH]c43)CC2)cc1 ZINC001144717475 1048818996 /nfs/dbraw/zinc/81/89/96/1048818996.db2.gz SYRXGQUPTMCSJO-UHFFFAOYSA-N 1 0 329.447 4.494 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1 ZINC000846101308 1048820317 /nfs/dbraw/zinc/82/03/17/1048820317.db2.gz AKNDMZRNTJEBIW-HNNXBMFYSA-N 1 0 341.282 4.433 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)c2cccc(F)c2)cc1OC ZINC000921070129 1048841029 /nfs/dbraw/zinc/84/10/29/1048841029.db2.gz SRLKWPVWZZHMHQ-OAHLLOKOSA-N 1 0 329.415 4.292 20 30 EIEDRO COc1ccc(C2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171220536 1048853153 /nfs/dbraw/zinc/85/31/53/1048853153.db2.gz BLSVVMQCZVQTCX-KRWDZBQOSA-N 1 0 334.463 4.377 20 30 EIEDRO Cc1ccc(OC2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171221361 1048856759 /nfs/dbraw/zinc/85/67/59/1048856759.db2.gz LFXDQJMCPSYPQU-GOSISDBHSA-N 1 0 334.463 4.341 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC001171221807 1048857474 /nfs/dbraw/zinc/85/74/74/1048857474.db2.gz VHOOPTONUZJXRD-GOSISDBHSA-N 1 0 334.463 4.170 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001171224239 1048858874 /nfs/dbraw/zinc/85/88/74/1048858874.db2.gz QCMTUJFTZGZZFV-QRWLVFNGSA-N 1 0 340.467 4.418 20 30 EIEDRO C=CCCCCCCCCC(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001144798618 1048859800 /nfs/dbraw/zinc/85/98/00/1048859800.db2.gz YAEJDVSFXVDOGI-UHFFFAOYSA-N 1 0 329.488 4.126 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001171224018 1048860587 /nfs/dbraw/zinc/86/05/87/1048860587.db2.gz OOJUHTXDLHUQHD-AWEZNQCLSA-N 1 0 333.410 4.101 20 30 EIEDRO COc1cccc(C[C@H]2CCC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171231678 1048870742 /nfs/dbraw/zinc/87/07/42/1048870742.db2.gz KRFGOUQVAOMVIN-PGRDOPGGSA-N 1 0 348.490 4.453 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(n2cnc3ccccc32)CC1 ZINC001171234068 1048875913 /nfs/dbraw/zinc/87/59/13/1048875913.db2.gz JYOJJXITNLBVQV-QGZVFWFLSA-N 1 0 344.462 4.176 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772956256 1048943802 /nfs/dbraw/zinc/94/38/02/1048943802.db2.gz ARVPHQBQSSXWFM-AWEZNQCLSA-N 1 0 348.368 4.329 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772956259 1048944472 /nfs/dbraw/zinc/94/44/72/1048944472.db2.gz ARVPHQBQSSXWFM-CQSZACIVSA-N 1 0 348.368 4.329 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000134387239 1048946486 /nfs/dbraw/zinc/94/64/86/1048946486.db2.gz SNYKKUDJQQPBHN-UHFFFAOYSA-N 1 0 336.382 4.181 20 30 EIEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(-c3c(OC)ccc4ccccc43)no2)C1 ZINC000847022759 1048980415 /nfs/dbraw/zinc/98/04/15/1048980415.db2.gz XIVXTVNLMZOVTL-INIZCTEOSA-N 1 0 346.430 4.349 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C[C@@H](O)c3ccc(F)cc3Cl)CCC2)cc1 ZINC000847058960 1048991406 /nfs/dbraw/zinc/99/14/06/1048991406.db2.gz NVKXYOIQINSBAJ-GOSISDBHSA-N 1 0 344.817 4.053 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cc(Cl)ccc1OC ZINC000772959415 1048992731 /nfs/dbraw/zinc/99/27/31/1048992731.db2.gz MKZUZEYQMKNWOU-GOSISDBHSA-N 1 0 344.842 4.492 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C(C)C)c(F)c1 ZINC000817580864 1049010649 /nfs/dbraw/zinc/01/06/49/1049010649.db2.gz LHBIIKKOPXMZSF-FQEVSTJZSA-N 1 0 342.414 4.201 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](c2nc(Br)cs2)C2CC2)C1 ZINC000817585438 1049013812 /nfs/dbraw/zinc/01/38/12/1049013812.db2.gz MDYKGHCXHVDVSK-XHVZSJERSA-N 1 0 340.290 4.029 20 30 EIEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001171276257 1049017517 /nfs/dbraw/zinc/01/75/17/1049017517.db2.gz JOGKVLZIAAMOGL-SFHVURJKSA-N 1 0 335.407 4.235 20 30 EIEDRO C=CCOCc1cccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1 ZINC001170630457 1049020779 /nfs/dbraw/zinc/02/07/79/1049020779.db2.gz NYOVZVWBEORJPJ-UHFFFAOYSA-N 1 0 340.511 4.123 20 30 EIEDRO C=CC[N@H+](C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1)C(C)(C)C ZINC001171280942 1049042623 /nfs/dbraw/zinc/04/26/23/1049042623.db2.gz FIVIJMAATPARQB-DFNIBXOVSA-N 1 0 326.484 4.109 20 30 EIEDRO N#CCC[N@H+](C1CCCC1)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170879733 1049048015 /nfs/dbraw/zinc/04/80/15/1049048015.db2.gz RGGCIILTYZGPJG-GOSISDBHSA-N 1 0 347.300 4.465 20 30 EIEDRO C#Cc1ccc(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc1 ZINC001146799252 1049060352 /nfs/dbraw/zinc/06/03/52/1049060352.db2.gz JWMXKYVQAIKWIT-GOSISDBHSA-N 1 0 346.474 4.061 20 30 EIEDRO CC(C)c1ccc([C@H](N)C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817954551 1049066223 /nfs/dbraw/zinc/06/62/23/1049066223.db2.gz YNGYNOCMEHWTIY-IIBYNOLFSA-N 1 0 337.467 4.063 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1[N+](=O)[O-] ZINC000175056228 1049074045 /nfs/dbraw/zinc/07/40/45/1049074045.db2.gz VLWVPBVPMFNDHR-HUUCEWRRSA-N 1 0 339.395 4.045 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000135224411 1049087527 /nfs/dbraw/zinc/08/75/27/1049087527.db2.gz LLOKVKCPCXUJIC-QFIPXVFZSA-N 1 0 348.490 4.360 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC001147172378 1049095412 /nfs/dbraw/zinc/09/54/12/1049095412.db2.gz QBIOXVITZCNSSB-UYAOXDASSA-N 1 0 328.500 4.393 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001171297946 1049097527 /nfs/dbraw/zinc/09/75/27/1049097527.db2.gz QPXUSBFTEGFZLV-WMZOPIPTSA-N 1 0 327.472 4.033 20 30 EIEDRO CC(C)c1ccc(C2(O)CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000818355409 1049147731 /nfs/dbraw/zinc/14/77/31/1049147731.db2.gz FFUIOXXCHPEEKP-FZQMEJGWSA-N 1 0 326.484 4.222 20 30 EIEDRO N#Cc1cc2ccc(-n3c(CC[NH3+])cc4ccccc43)cc2cc1C#N ZINC001171303844 1049147654 /nfs/dbraw/zinc/14/76/54/1049147654.db2.gz DKWPSBWQGUZDQB-UHFFFAOYSA-N 1 0 336.398 4.028 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3ccc(OC)cc32)c1 ZINC000772981775 1049166831 /nfs/dbraw/zinc/16/68/31/1049166831.db2.gz AYJGNIDTHFEWLA-UTKZUKDTSA-N 1 0 336.435 4.153 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000772982689 1049170006 /nfs/dbraw/zinc/17/00/06/1049170006.db2.gz FEWVZCAGMRDCOH-RTBURBONSA-N 1 0 340.854 4.278 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)c1 ZINC000772983461 1049197438 /nfs/dbraw/zinc/19/74/38/1049197438.db2.gz KINBHJUSJRSAHD-KXBFYZLASA-N 1 0 336.435 4.153 20 30 EIEDRO C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818994805 1049229611 /nfs/dbraw/zinc/22/96/11/1049229611.db2.gz KASFVHLTABKUPG-KPZWWZAWSA-N 1 0 349.261 4.119 20 30 EIEDRO CC1(c2ccccc2)CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819179221 1049274624 /nfs/dbraw/zinc/27/46/24/1049274624.db2.gz ZVSNRGODPPFPQA-ORFBVSJDSA-N 1 0 334.463 4.082 20 30 EIEDRO C#CC[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819190185 1049275408 /nfs/dbraw/zinc/27/54/08/1049275408.db2.gz HWTWCINWCDUWSH-ROUUACIJSA-N 1 0 333.353 4.093 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ncc(C#N)cc2Cl)CC1 ZINC000609704095 1049275507 /nfs/dbraw/zinc/27/55/07/1049275507.db2.gz ABQJOGCXIMENBW-CQSZACIVSA-N 1 0 340.858 4.244 20 30 EIEDRO Cc1cc([NH+]2CCCCCC2)ccc1NC[C@H](O)c1ccc(C#N)cc1 ZINC000819481118 1049329006 /nfs/dbraw/zinc/32/90/06/1049329006.db2.gz HYYPIHQNRVHTQR-QFIPXVFZSA-N 1 0 349.478 4.393 20 30 EIEDRO N#Cc1c(F)cccc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064550895 1049337962 /nfs/dbraw/zinc/33/79/62/1049337962.db2.gz QYSDNNYECBFGHG-CQSZACIVSA-N 1 0 329.444 4.083 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)c1cccc([C@H](C)C#N)c1 ZINC001148621562 1049345652 /nfs/dbraw/zinc/34/56/52/1049345652.db2.gz CUGFXHQEQSGHQM-BEFAXECRSA-N 1 0 333.435 4.063 20 30 EIEDRO C=CCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000609915808 1049395576 /nfs/dbraw/zinc/39/55/76/1049395576.db2.gz UHNDZJGMFXYQDF-UHFFFAOYSA-N 1 0 345.512 4.115 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1Cl ZINC000105642566 1049403513 /nfs/dbraw/zinc/40/35/13/1049403513.db2.gz KHFVTEIZEPANHD-UHFFFAOYSA-N 1 0 330.790 4.205 20 30 EIEDRO C=CCOCCC[NH2+][C@H](CC)c1cc(F)cc(Br)c1 ZINC000348102895 1049420603 /nfs/dbraw/zinc/42/06/03/1049420603.db2.gz NTDQBQVCKJRABK-OAHLLOKOSA-N 1 0 330.241 4.222 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000195673969 1049475798 /nfs/dbraw/zinc/47/57/98/1049475798.db2.gz YLWPNHFJGMRELQ-SFHVURJKSA-N 1 0 341.842 4.281 20 30 EIEDRO Cc1nc(NC2CCC([NH+]3CCCCC3)CC2)c(Cl)cc1C#N ZINC000812461301 1049480322 /nfs/dbraw/zinc/48/03/22/1049480322.db2.gz OKCSKYRKKACILU-UHFFFAOYSA-N 1 0 332.879 4.124 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000348207230 1049495530 /nfs/dbraw/zinc/49/55/30/1049495530.db2.gz NYUIRVYIXRBWCO-OAHLLOKOSA-N 1 0 325.378 4.397 20 30 EIEDRO [NH2+]=C(N[C@@H]1CCc2cccc(F)c2C1)c1ccc(C(F)(F)F)cc1 ZINC001170947811 1049513602 /nfs/dbraw/zinc/51/36/02/1049513602.db2.gz BLTKZJYWWWPDTB-CQSZACIVSA-N 1 0 336.332 4.107 20 30 EIEDRO C#CCSCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000773010122 1049525009 /nfs/dbraw/zinc/52/50/09/1049525009.db2.gz HRJPLOFLKDEXQR-OAHLLOKOSA-N 1 0 346.496 4.283 20 30 EIEDRO C=CCC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CCC1 ZINC001136363426 1049535712 /nfs/dbraw/zinc/53/57/12/1049535712.db2.gz XNTXMBNKHYKVTC-HXUWFJFHSA-N 1 0 340.511 4.322 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2COc3c2cccc3Cl)cc1 ZINC000773039991 1049547758 /nfs/dbraw/zinc/54/77/58/1049547758.db2.gz HRCMPRFRALXOMT-FZKQIMNGSA-N 1 0 327.811 4.136 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000773106171 1049585418 /nfs/dbraw/zinc/58/54/18/1049585418.db2.gz KNMOAADIHBAMIW-BQFCYCMXSA-N 1 0 330.472 4.032 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000773116967 1049588246 /nfs/dbraw/zinc/58/82/46/1049588246.db2.gz SNDAIBUCEWEHNY-BEFAXECRSA-N 1 0 340.854 4.411 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000773116968 1049588830 /nfs/dbraw/zinc/58/88/30/1049588830.db2.gz SNDAIBUCEWEHNY-DNVCBOLYSA-N 1 0 340.854 4.411 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C)c1ccccc1 ZINC000773118116 1049590487 /nfs/dbraw/zinc/59/04/87/1049590487.db2.gz YNIGBLQJMJMVBI-WIYYLYMNSA-N 1 0 334.463 4.375 20 30 EIEDRO COC(=O)c1cc2cc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)ccc2o1 ZINC001171400309 1049621115 /nfs/dbraw/zinc/62/11/15/1049621115.db2.gz VXIYIXOLJIMJLX-AWEZNQCLSA-N 1 0 348.402 4.284 20 30 EIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000067975871 1049674375 /nfs/dbraw/zinc/67/43/75/1049674375.db2.gz WQLFQRYEBOUMIF-AWEZNQCLSA-N 1 0 341.842 4.233 20 30 EIEDRO N#Cc1cccc(C[NH2+]CCCc2ccc(Br)cc2F)c1 ZINC000237695887 1049704857 /nfs/dbraw/zinc/70/48/57/1049704857.db2.gz BURQUPOLKAXOHA-UHFFFAOYSA-N 1 0 347.231 4.182 20 30 EIEDRO CC(C)([NH2+][C@@H]1CCc2cc(F)c(F)cc2C1)c1ccc(C#N)cc1 ZINC001171455021 1049709770 /nfs/dbraw/zinc/70/97/70/1049709770.db2.gz YTQZMNSTZZOFTM-QGZVFWFLSA-N 1 0 326.390 4.219 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCCOc2ccc(F)cc2)cc1 ZINC000237695386 1049712231 /nfs/dbraw/zinc/71/22/31/1049712231.db2.gz ZSNPDKKCQDIEGS-INIZCTEOSA-N 1 0 342.414 4.065 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC001171491517 1049717890 /nfs/dbraw/zinc/71/78/90/1049717890.db2.gz VWUQFWGSAXKESO-NRFANRHFSA-N 1 0 338.426 4.303 20 30 EIEDRO CN(Cc1ccc(N2CCCCC2)cc1)Cc1cccc(F)c1C#N ZINC000813334362 1049754737 /nfs/dbraw/zinc/75/47/37/1049754737.db2.gz HDJNZVYJDXLYGF-UHFFFAOYSA-N 1 0 337.442 4.320 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1cc(OC)ccc1OC)c1ccccc1 ZINC000772858819 1049760671 /nfs/dbraw/zinc/76/06/71/1049760671.db2.gz YRKVROVMYVAICY-UXHICEINSA-N 1 0 341.451 4.034 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C#N)CC2)C[C@@H]1C(C)(C)C ZINC001171599624 1049764147 /nfs/dbraw/zinc/76/41/47/1049764147.db2.gz CQOXFZSXCXEGMN-DLBZAZTESA-N 1 0 349.519 4.036 20 30 EIEDRO C[N@H+](CCCCC1(C#N)CCC1)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001171599864 1049764313 /nfs/dbraw/zinc/76/43/13/1049764313.db2.gz WNKLAHHABKAJDA-UHFFFAOYSA-N 1 0 336.382 4.304 20 30 EIEDRO C#CC1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C2)CC1 ZINC001171611307 1049765018 /nfs/dbraw/zinc/76/50/18/1049765018.db2.gz AALVIRQIMSXTFC-ZWKOTPCHSA-N 1 0 348.531 4.146 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@H]1C(C)(C)C ZINC001171616494 1049766829 /nfs/dbraw/zinc/76/68/29/1049766829.db2.gz CHUNYMHVRIOQEH-GQIGUUNPSA-N 1 0 349.519 4.036 20 30 EIEDRO N#CCC1C[NH+](C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171649593 1049770756 /nfs/dbraw/zinc/77/07/56/1049770756.db2.gz COUWUSWTYOTLEJ-UHFFFAOYSA-N 1 0 333.273 4.321 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001171848042 1049813495 /nfs/dbraw/zinc/81/34/95/1049813495.db2.gz WINNYTHEIYVALB-LBPRGKRZSA-N 1 0 339.233 4.145 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1 ZINC000813782492 1049815438 /nfs/dbraw/zinc/81/54/38/1049815438.db2.gz BZYSHSUFDWROEY-YADHBBJMSA-N 1 0 328.415 4.123 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171900282 1049817270 /nfs/dbraw/zinc/81/72/70/1049817270.db2.gz RRDDMZFGAMAQJE-QFIPXVFZSA-N 1 0 348.490 4.370 20 30 EIEDRO CC(C)(C)OC(=O)C1CCC([NH2+]C(C)(C)c2ccc(C#N)cc2)CC1 ZINC001171910586 1049818383 /nfs/dbraw/zinc/81/83/83/1049818383.db2.gz SMJFXZDIVQYJPQ-UHFFFAOYSA-N 1 0 342.483 4.283 20 30 EIEDRO CC(C)(C)OC(=O)C1CCC([NH2+]C2(c3ccc(C#N)cc3)CC2)CC1 ZINC001171914114 1049818484 /nfs/dbraw/zinc/81/84/84/1049818484.db2.gz LUVZBIOMXCFAHR-UHFFFAOYSA-N 1 0 340.467 4.037 20 30 EIEDRO C=CC[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)[C@H](C)COC ZINC001171915736 1049819172 /nfs/dbraw/zinc/81/91/72/1049819172.db2.gz GJERQBGRLLTQDD-QGZVFWFLSA-N 1 0 343.442 4.428 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001171960569 1049824271 /nfs/dbraw/zinc/82/42/71/1049824271.db2.gz BXQMTGIZOSJKCG-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C#CC(C)(C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172059991 1049841818 /nfs/dbraw/zinc/84/18/18/1049841818.db2.gz NJFONHVJICJUAH-MRXNPFEDSA-N 1 0 334.504 4.090 20 30 EIEDRO C#CCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172051954 1049843215 /nfs/dbraw/zinc/84/32/15/1049843215.db2.gz AMJRGKYYDAFVAZ-GOSISDBHSA-N 1 0 348.531 4.482 20 30 EIEDRO CCCCN(CC#N)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172084098 1049847985 /nfs/dbraw/zinc/84/79/85/1049847985.db2.gz UNZCGQROKSZRPP-AERCQKQUSA-N 1 0 325.500 4.198 20 30 EIEDRO CC(C)C[C@@H](C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172066783 1049851228 /nfs/dbraw/zinc/85/12/28/1049851228.db2.gz BHJQUCWYVZLLJF-BURNTYAHSA-N 1 0 325.500 4.100 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Br)s1 ZINC001172302599 1049873135 /nfs/dbraw/zinc/87/31/35/1049873135.db2.gz MQSIVOGXMBCUCL-LLVKDONJSA-N 1 0 335.270 4.103 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(-c2nccs2)cc1 ZINC001172301974 1049873202 /nfs/dbraw/zinc/87/32/02/1049873202.db2.gz ZLHVIXUQLSOBLM-OAHLLOKOSA-N 1 0 333.460 4.403 20 30 EIEDRO N#CCOc1cccc(C[NH2+]Cc2cccc(OC3CCCC3)c2)c1 ZINC000113347464 1049873428 /nfs/dbraw/zinc/87/34/28/1049873428.db2.gz DDDGQLWHQHBMPM-UHFFFAOYSA-N 1 0 336.435 4.200 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccnc(Cl)c1)C1CC1 ZINC001172301611 1049873429 /nfs/dbraw/zinc/87/34/29/1049873429.db2.gz RZPXGRDLMKAIOA-YJYMSZOUSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)cccc1C(F)(F)F ZINC001172302951 1049873727 /nfs/dbraw/zinc/87/37/27/1049873727.db2.gz UGEYFLSKKAMKFF-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001172305530 1049873779 /nfs/dbraw/zinc/87/37/79/1049873779.db2.gz DVVBDFSAARQPBN-KRWDZBQOSA-N 1 0 338.495 4.160 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001172309384 1049874787 /nfs/dbraw/zinc/87/47/87/1049874787.db2.gz SNDTTXJDVAUFJZ-AEMJNJESSA-N 1 0 338.495 4.016 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001172307452 1049874799 /nfs/dbraw/zinc/87/47/99/1049874799.db2.gz OKULGHFLNFKGGS-SFHVURJKSA-N 1 0 333.479 4.221 20 30 EIEDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172313497 1049875962 /nfs/dbraw/zinc/87/59/62/1049875962.db2.gz XZWVFNJMGWBPFQ-IERDGZPVSA-N 1 0 348.446 4.113 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001172321063 1049877173 /nfs/dbraw/zinc/87/71/73/1049877173.db2.gz YMNFIRRJLGGHHM-AWEZNQCLSA-N 1 0 333.410 4.101 20 30 EIEDRO CC(=O)C1(c2ccccc2)CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172320499 1049877720 /nfs/dbraw/zinc/87/77/20/1049877720.db2.gz VFJXQGIHLQFLGZ-SFHVURJKSA-N 1 0 346.474 4.112 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(C(F)(F)F)c1F ZINC001172289477 1049880970 /nfs/dbraw/zinc/88/09/70/1049880970.db2.gz CYQBDWURXIJISM-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Br)cc1 ZINC001172295711 1049881600 /nfs/dbraw/zinc/88/16/00/1049881600.db2.gz UKSWZGAWTGXMMG-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CO)c1ccc(Cl)cc1Cl ZINC001172293094 1049881689 /nfs/dbraw/zinc/88/16/89/1049881689.db2.gz BFGXDGGCUXCQHT-KPZWWZAWSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H](O)[C@](C)(C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000616364107 1049882334 /nfs/dbraw/zinc/88/23/34/1049882334.db2.gz PXISAVFNIMCSMK-IMRHEYAYSA-N 1 0 348.490 4.155 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)NC(C)C)CC1 ZINC001172349321 1049891177 /nfs/dbraw/zinc/89/11/77/1049891177.db2.gz ADYFYITXPTXIQS-KRWDZBQOSA-N 1 0 325.541 4.298 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001172354281 1049892897 /nfs/dbraw/zinc/89/28/97/1049892897.db2.gz FZYPHKWRCHTLNK-WJFTUGDTSA-N 1 0 349.519 4.149 20 30 EIEDRO CCCCCCC[C@@H](CC)N(c1ncc(F)cn1)C1CC[NH2+]CC1 ZINC001172357191 1049894516 /nfs/dbraw/zinc/89/45/16/1049894516.db2.gz CQUFWULBEGYOJB-QGZVFWFLSA-N 1 0 336.499 4.313 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001172356305 1049894747 /nfs/dbraw/zinc/89/47/47/1049894747.db2.gz VWNLKXCDRDTYTA-QUCCMNQESA-N 1 0 330.520 4.270 20 30 EIEDRO CC[C@H](CC(C)C)[NH+]1CCC(Oc2ccc(C#N)cc2OC)CC1 ZINC001172399768 1049907441 /nfs/dbraw/zinc/90/74/41/1049907441.db2.gz CVALATPMIOQMJN-QGZVFWFLSA-N 1 0 330.472 4.235 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C[C@]1(C)CCCCN(C(=O)OC(C)(C)C)C1 ZINC001172476406 1049908297 /nfs/dbraw/zinc/90/82/97/1049908297.db2.gz KZOKGEQSJNXVDJ-LPHOPBHVSA-N 1 0 337.508 4.086 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C12CCC(NC(=O)OC(C)(C)C)(CC1)CC2 ZINC001172481772 1049909975 /nfs/dbraw/zinc/90/99/75/1049909975.db2.gz XTHUSWIIURVCLA-VNCLNFNDSA-N 1 0 335.492 4.028 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001172485947 1049911497 /nfs/dbraw/zinc/91/14/97/1049911497.db2.gz WLYLEHZUDOGLMZ-DOTOQJQBSA-N 1 0 343.471 4.025 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CC1(Cc2ccccn2)CCC(F)(F)CC1 ZINC001172491857 1049920632 /nfs/dbraw/zinc/92/06/32/1049920632.db2.gz KCZPJJUKLDCEAO-MRXNPFEDSA-N 1 0 335.442 4.492 20 30 EIEDRO CC(C)[C@H]([NH2+][C@H](C)CCCC#N)C(=O)Nc1ccc2ccccc2c1 ZINC001172490602 1049921090 /nfs/dbraw/zinc/92/10/90/1049921090.db2.gz IMYZDQINZGWJOJ-UZLBHIALSA-N 1 0 337.467 4.475 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(Cl)cc2)CC1 ZINC001172494002 1049921500 /nfs/dbraw/zinc/92/15/00/1049921500.db2.gz XDWABJUJVJFYBO-WBAXXEDZSA-N 1 0 347.890 4.053 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1 ZINC001172494953 1049921626 /nfs/dbraw/zinc/92/16/26/1049921626.db2.gz AFMDPHUYGXJIBI-FXAWDEMLSA-N 1 0 349.519 4.324 20 30 EIEDRO CCC1(C[NH2+][C@H](C)CCCC#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC001172492712 1049921960 /nfs/dbraw/zinc/92/19/60/1049921960.db2.gz NVPLYDGEVVZKMS-MRXNPFEDSA-N 1 0 337.508 4.086 20 30 EIEDRO FC(F)(F)[C@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@H]1C(F)(F)F ZINC000649333010 1049922470 /nfs/dbraw/zinc/92/24/70/1049922470.db2.gz JPLANGRTNDWEPU-BBBLOLIVSA-N 1 0 339.270 4.485 20 30 EIEDRO CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@H](C)CCCC#N)CC[C@@H]21 ZINC001172498377 1049922649 /nfs/dbraw/zinc/92/26/49/1049922649.db2.gz KTSIKRLWNGOPHY-LMNJBCLMSA-N 1 0 325.500 4.403 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)NCC)CC1 ZINC001172506090 1049923802 /nfs/dbraw/zinc/92/38/02/1049923802.db2.gz NJLOFXYAUWCZJD-KRWDZBQOSA-N 1 0 325.541 4.299 20 30 EIEDRO CCCCCCCC[C@@H](CC)[N@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172505881 1049924443 /nfs/dbraw/zinc/92/44/43/1049924443.db2.gz WMOWHEFGMLGWAK-RTBURBONSA-N 1 0 335.536 4.495 20 30 EIEDRO C[C@H](CCCC#N)[N@H+](C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172504648 1049924568 /nfs/dbraw/zinc/92/45/68/1049924568.db2.gz HOGPHICPJVKGGN-AEFFLSMTSA-N 1 0 349.519 4.323 20 30 EIEDRO N#Cc1ccc(N2CC[NH+]([C@H]3CC[C@@H](c4ccccc4)C3)CC2)cc1 ZINC001172563666 1049934612 /nfs/dbraw/zinc/93/46/12/1049934612.db2.gz MFWJWOVXCHLDHE-IRLDBZIGSA-N 1 0 331.463 4.017 20 30 EIEDRO CCCC[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001172621992 1049960119 /nfs/dbraw/zinc/96/01/19/1049960119.db2.gz KKUOZDMTAFXPLF-IRXDYDNUSA-N 1 0 349.519 4.228 20 30 EIEDRO CCCC[C@H]1C[C@@H]([NH2+]CC(C)(C)S)CCN1C(=O)OC(C)(C)C ZINC001172626978 1049960746 /nfs/dbraw/zinc/96/07/46/1049960746.db2.gz NCUKRGJUUZSPBM-GJZGRUSLSA-N 1 0 344.565 4.243 20 30 EIEDRO [NH2+]=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(C(F)(F)F)cc1 ZINC001172708150 1049971157 /nfs/dbraw/zinc/97/11/57/1049971157.db2.gz BYSSLOIWGPPGJL-OAHLLOKOSA-N 1 0 338.760 4.232 20 30 EIEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172714396 1049972887 /nfs/dbraw/zinc/97/28/87/1049972887.db2.gz YBZGHBRHHVYZER-GOSISDBHSA-N 1 0 335.838 4.007 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nc3ccccc3n2CC)cc1 ZINC000180993489 1049974643 /nfs/dbraw/zinc/97/46/43/1049974643.db2.gz WPQIVXKMIPEPAH-IAGOWNOFSA-N 1 0 347.462 4.480 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2CC)cc1 ZINC000180993454 1049975058 /nfs/dbraw/zinc/97/50/58/1049975058.db2.gz WPQIVXKMIPEPAH-DLBZAZTESA-N 1 0 347.462 4.480 20 30 EIEDRO CC1CCN([C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)c2cccs2)CC1 ZINC000248737924 1050075202 /nfs/dbraw/zinc/07/52/02/1050075202.db2.gz DUKISMGISBALFQ-FGTMMUONSA-N 1 0 331.529 4.193 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000181287878 1050083374 /nfs/dbraw/zinc/08/33/74/1050083374.db2.gz FEYOUTSSMAZMTC-QGZVFWFLSA-N 1 0 343.430 4.350 20 30 EIEDRO COC(=O)[C@@H]1CCC[C@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001172793702 1050157837 /nfs/dbraw/zinc/15/78/37/1050157837.db2.gz BSYKNOXABCFPCO-AEFFLSMTSA-N 1 0 348.874 4.178 20 30 EIEDRO C=CCOc1ccc(CNC[C@@H](C(C)C)[NH+]2CCCC2)cc1Cl ZINC001177209287 1050160902 /nfs/dbraw/zinc/16/09/02/1050160902.db2.gz LFHLFWPTGCRLNX-SFHVURJKSA-N 1 0 336.907 4.115 20 30 EIEDRO N#Cc1cccnc1NCC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC001177506520 1050232616 /nfs/dbraw/zinc/23/26/16/1050232616.db2.gz PBGYEQRWTLKZOB-UYAOXDASSA-N 1 0 334.467 4.071 20 30 EIEDRO N#CCC[N@H+](C1CCCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910136 1050245098 /nfs/dbraw/zinc/24/50/98/1050245098.db2.gz KDULDASUPXXYJG-GOSISDBHSA-N 1 0 327.428 4.000 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC(C)(C)C1 ZINC001172973718 1050250495 /nfs/dbraw/zinc/25/04/95/1050250495.db2.gz GZAZKWBSPFRENW-VQHPVUNQSA-N 1 0 349.519 4.082 20 30 EIEDRO C[C@@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000181604400 1050251690 /nfs/dbraw/zinc/25/16/90/1050251690.db2.gz XHXLYHZFTFLIDM-CQSZACIVSA-N 1 0 341.842 4.281 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)COCc1ccccc1 ZINC001177570933 1050254795 /nfs/dbraw/zinc/25/47/95/1050254795.db2.gz ONQYMAZNQLMWSE-SFHVURJKSA-N 1 0 336.479 4.430 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C)c1cccc(C#N)c1 ZINC001172961507 1050261481 /nfs/dbraw/zinc/26/14/81/1050261481.db2.gz URKINIBOIFMEDC-CRAIPNDOSA-N 1 0 345.487 4.244 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001173089499 1050281242 /nfs/dbraw/zinc/28/12/42/1050281242.db2.gz XGKAJBOURPERDJ-UKRRQHHQSA-N 1 0 326.362 4.142 20 30 EIEDRO C=CCOCc1nn(C2CCC3(CCCCC3)CC2)c2c1C[NH2+]C2 ZINC001173115963 1050311938 /nfs/dbraw/zinc/31/19/38/1050311938.db2.gz HOBAVCXKIYZKEC-UHFFFAOYSA-N 1 0 329.488 4.255 20 30 EIEDRO CC1(C)C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCCO1 ZINC000618281995 1050328377 /nfs/dbraw/zinc/32/83/77/1050328377.db2.gz JUHNCPFRKVCUGM-UHFFFAOYSA-N 1 0 348.490 4.387 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000618304441 1050335992 /nfs/dbraw/zinc/33/59/92/1050335992.db2.gz AJYHDKCLDQHIHK-INIZCTEOSA-N 1 0 342.405 4.132 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@H](SCC)C2)cc(OC)c1O ZINC001177948675 1050345394 /nfs/dbraw/zinc/34/53/94/1050345394.db2.gz LKWVYQQAOKJEBL-SJORKVTESA-N 1 0 335.513 4.283 20 30 EIEDRO C=C(C)C(=O)OCC[NH2+][C@@H](C)CC(c1ccccc1)c1ccccc1 ZINC001173205852 1050364406 /nfs/dbraw/zinc/36/44/06/1050364406.db2.gz RAQUAIBKOVBSQA-SFHVURJKSA-N 1 0 337.463 4.306 20 30 EIEDRO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](CCCC)CC(C)C ZINC001173262833 1050388131 /nfs/dbraw/zinc/38/81/31/1050388131.db2.gz UREJCHTYJPLNOO-PKOBYXMFSA-N 1 0 348.535 4.005 20 30 EIEDRO C=C(C)COCC[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC001178148903 1050390326 /nfs/dbraw/zinc/39/03/26/1050390326.db2.gz XAFLEXVDDNGLLH-UHFFFAOYSA-N 1 0 332.669 4.093 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001173308390 1050403802 /nfs/dbraw/zinc/40/38/02/1050403802.db2.gz JXKJTGMMXVBGPO-UHFFFAOYSA-N 1 0 327.390 4.351 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC001173312259 1050406327 /nfs/dbraw/zinc/40/63/27/1050406327.db2.gz XKMIWNVNGFASMV-UHFFFAOYSA-N 1 0 329.362 4.189 20 30 EIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C1CCN(CCO)CC1 ZINC001173284963 1050412559 /nfs/dbraw/zinc/41/25/59/1050412559.db2.gz MIFOFJGNQHDYQQ-LJQANCHMSA-N 1 0 326.569 4.342 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(Oc3ccccc3C)CC2)CC1 ZINC001173321757 1050415672 /nfs/dbraw/zinc/41/56/72/1050415672.db2.gz OONVUOSTAQRRDO-UHFFFAOYSA-N 1 0 329.484 4.352 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@](C)([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173323842 1050417049 /nfs/dbraw/zinc/41/70/49/1050417049.db2.gz BISNYJRMFDAYRF-LBXVMSDZSA-N 1 0 349.519 4.228 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173329636 1050419653 /nfs/dbraw/zinc/41/96/53/1050419653.db2.gz KCUOQSXJPKFLQR-LXPRWKDFSA-N 1 0 349.519 4.086 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001173327784 1050420611 /nfs/dbraw/zinc/42/06/11/1050420611.db2.gz RREVDYNTAOQWHR-CTWPCTMYSA-N 1 0 335.488 4.429 20 30 EIEDRO N#CCC1CCC([NH2+]CCc2cc(Br)cs2)CC1 ZINC001173334094 1050423131 /nfs/dbraw/zinc/42/31/31/1050423131.db2.gz TYHMJMVYDXOFOG-UHFFFAOYSA-N 1 0 327.291 4.115 20 30 EIEDRO Cc1ccc(F)c(CN2CCC([NH2+]C3CCC(CC#N)CC3)CC2)c1 ZINC001173333588 1050423550 /nfs/dbraw/zinc/42/35/50/1050423550.db2.gz KOLKEYXEUONMRD-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)ccc1C#N ZINC000618591494 1050424497 /nfs/dbraw/zinc/42/44/97/1050424497.db2.gz KYSLJASBJVTRMH-GOSISDBHSA-N 1 0 331.419 4.388 20 30 EIEDRO N#CCC1CCC([NH+]2CCN([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001173336800 1050424618 /nfs/dbraw/zinc/42/46/18/1050424618.db2.gz MJFMNUUYPMSLMJ-ZNIKRAEXSA-N 1 0 337.511 4.154 20 30 EIEDRO CC(C)(C)OC(=O)C1(C[NH2+]C2CCC(CC#N)CC2)CCCCC1 ZINC001173334804 1050425269 /nfs/dbraw/zinc/42/52/69/1050425269.db2.gz YBAXDTPEPFWWQI-UHFFFAOYSA-N 1 0 334.504 4.341 20 30 EIEDRO N#CCC1CCC([NH2+][C@H](c2ccccc2)[C@@H](N)c2ccccc2)CC1 ZINC001173334211 1050426019 /nfs/dbraw/zinc/42/60/19/1050426019.db2.gz NQFBRNJPUBFAFE-POHXSPKXSA-N 1 0 333.479 4.490 20 30 EIEDRO Cc1cc(C[N@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)ccc1C#N ZINC000618593938 1050428198 /nfs/dbraw/zinc/42/81/98/1050428198.db2.gz ZAAHPHXOKMGIRF-YADHBBJMSA-N 1 0 334.463 4.466 20 30 EIEDRO COC(=O)c1cccc([C@H]2CCC[N@@H+]2C2CCC(CC#N)CC2)c1 ZINC001173340664 1050430927 /nfs/dbraw/zinc/43/09/27/1050430927.db2.gz JLMABVWZHHFRFL-XUJQIHCRSA-N 1 0 326.440 4.083 20 30 EIEDRO CCOC(=O)C1(C#N)CC[NH+]([C@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173348437 1050436489 /nfs/dbraw/zinc/43/64/89/1050436489.db2.gz IJCYMNMIUKIDTF-KRWDZBQOSA-N 1 0 332.488 4.048 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC001173317264 1050439935 /nfs/dbraw/zinc/43/99/35/1050439935.db2.gz DVTNNSRQPUSRJB-UHFFFAOYSA-N 1 0 330.403 4.084 20 30 EIEDRO C=CCOC1CCC([NH+]2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC001173320165 1050441825 /nfs/dbraw/zinc/44/18/25/1050441825.db2.gz CAYXQSBJGMQFDV-UHFFFAOYSA-N 1 0 348.918 4.284 20 30 EIEDRO N#Cc1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1Br ZINC001187064252 1050472048 /nfs/dbraw/zinc/47/20/48/1050472048.db2.gz RJDFNHUXERGGBA-INIZCTEOSA-N 1 0 348.288 4.140 20 30 EIEDRO Cc1n[nH]c(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1C ZINC001178462322 1050473591 /nfs/dbraw/zinc/47/35/91/1050473591.db2.gz BJBBMZJCMHEBQO-INIZCTEOSA-N 1 0 330.435 4.416 20 30 EIEDRO C=CCOc1ccc(CNCC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC001178462376 1050475644 /nfs/dbraw/zinc/47/56/44/1050475644.db2.gz CTAWNXGDCPJKLP-MRXNPFEDSA-N 1 0 336.907 4.259 20 30 EIEDRO CCN(C)c1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000773746724 1050482346 /nfs/dbraw/zinc/48/23/46/1050482346.db2.gz BFVCUJZDVQQFCP-UHFFFAOYSA-N 1 0 349.478 4.058 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCC2Cc3ccccc3C2)cc1OC ZINC001178488272 1050482403 /nfs/dbraw/zinc/48/24/03/1050482403.db2.gz SDOALQZRXCNRQZ-UHFFFAOYSA-N 1 0 337.463 4.155 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001173586348 1050492545 /nfs/dbraw/zinc/49/25/45/1050492545.db2.gz PHTYKXWEBRACJF-UHFFFAOYSA-N 1 0 330.325 4.286 20 30 EIEDRO COc1cccc(C(=O)C2CC[NH+](C3CCC(C)(C#N)CC3)CC2)c1 ZINC001173593129 1050496370 /nfs/dbraw/zinc/49/63/70/1050496370.db2.gz DOBSCEFURQCFSW-UHFFFAOYSA-N 1 0 340.467 4.062 20 30 EIEDRO COc1cc(Cl)cc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)c1OC ZINC001173591885 1050496937 /nfs/dbraw/zinc/49/69/37/1050496937.db2.gz WHKKBJDAEHPXKX-LVIIFESRSA-N 1 0 336.863 4.480 20 30 EIEDRO C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173593428 1050497012 /nfs/dbraw/zinc/49/70/12/1050497012.db2.gz IXYABTUHDIOFCU-ZRDSACAASA-N 1 0 349.519 4.084 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2C2CCC(C)(C#N)CC2)cc1OC ZINC001173595868 1050497183 /nfs/dbraw/zinc/49/71/83/1050497183.db2.gz ADIXXJTVVBTXPH-GNZRSQJKSA-N 1 0 328.456 4.313 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001173595743 1050497452 /nfs/dbraw/zinc/49/74/52/1050497452.db2.gz VHZQZKITQWLYIU-SAZYNNDCSA-N 1 0 338.495 4.498 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC001173592379 1050497687 /nfs/dbraw/zinc/49/76/87/1050497687.db2.gz NJWRCXHVTPYHNG-VUROTCPHSA-N 1 0 333.273 4.367 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCc3c(Br)cccc3C2)CC1 ZINC001173599753 1050499145 /nfs/dbraw/zinc/49/91/45/1050499145.db2.gz QHOPZFCWGSPUES-UHFFFAOYSA-N 1 0 333.273 4.280 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](CO)CC2CCCC2)cc1Cl ZINC001178584018 1050499763 /nfs/dbraw/zinc/49/97/63/1050499763.db2.gz CRDQJDQSWRYHKR-KRWDZBQOSA-N 1 0 337.891 4.183 20 30 EIEDRO COc1ccc([C@@H]2CSCC[N@@H+]2C2CCC(C)(C#N)CC2)cc1 ZINC001173599134 1050500519 /nfs/dbraw/zinc/50/05/19/1050500519.db2.gz GBNFWEXIUCUZIC-AVAKVYKDSA-N 1 0 330.497 4.258 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(Br)c1 ZINC000618743085 1050503095 /nfs/dbraw/zinc/50/30/95/1050503095.db2.gz WDKOWXKVYYQJDC-QGZVFWFLSA-N 1 0 327.225 4.098 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000618742174 1050504297 /nfs/dbraw/zinc/50/42/97/1050504297.db2.gz KMAWXXFKRLZRBQ-KRWDZBQOSA-N 1 0 332.325 4.234 20 30 EIEDRO CCOC(=O)[C@H]1CC12CCC([NH2+][C@H](CC)c1cccc(C#N)c1)CC2 ZINC001173603763 1050505019 /nfs/dbraw/zinc/50/50/19/1050505019.db2.gz HRNUWFUXTKPAPP-XTBIFASLSA-N 1 0 340.467 4.111 20 30 EIEDRO C=CCCOCC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000182169773 1050516024 /nfs/dbraw/zinc/51/60/24/1050516024.db2.gz OLDPSPSRYBJEFB-UHFFFAOYSA-N 1 0 331.500 4.123 20 30 EIEDRO C=CCCCCCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC001178688920 1050530651 /nfs/dbraw/zinc/53/06/51/1050530651.db2.gz OVNZWLFZHDOCNH-UHFFFAOYSA-N 1 0 336.907 4.403 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(-n2ccnc2)cc1 ZINC000618804752 1050533034 /nfs/dbraw/zinc/53/30/34/1050533034.db2.gz LTCFWMPFQSZDEQ-YCRPNKLZSA-N 1 0 328.419 4.082 20 30 EIEDRO C=CCC1(C[NH2+]Cc2c(F)cncc2Br)CCCC1 ZINC001178709916 1050536677 /nfs/dbraw/zinc/53/66/77/1050536677.db2.gz OLIPOWKXDRAGAF-UHFFFAOYSA-N 1 0 327.241 4.209 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OCCn2ccnc2)c(Cl)c1 ZINC001178795232 1050555615 /nfs/dbraw/zinc/55/56/15/1050555615.db2.gz IYCHAJIYWAGVCX-UHFFFAOYSA-N 1 0 347.890 4.307 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC001178810819 1050559508 /nfs/dbraw/zinc/55/95/08/1050559508.db2.gz OGUCJVLRTLEWCE-IBGZPJMESA-N 1 0 327.374 4.144 20 30 EIEDRO C#Cc1ccc(C[NH2+]C2CCC(c3ccc(OC(C)=O)cc3)CC2)cc1 ZINC001173784880 1050568775 /nfs/dbraw/zinc/56/87/75/1050568775.db2.gz WXNWDXINQZRYKS-UHFFFAOYSA-N 1 0 347.458 4.409 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH2+]CC#CC(C)(C)C)CC2)cc1 ZINC001173786007 1050571443 /nfs/dbraw/zinc/57/14/43/1050571443.db2.gz PVXIFERDOAVFNK-UHFFFAOYSA-N 1 0 327.468 4.277 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@]2(CC)OCCc3ccccc32)c1 ZINC001178859976 1050578694 /nfs/dbraw/zinc/57/86/94/1050578694.db2.gz OKUPJUPWQVYNTG-JOCHJYFZSA-N 1 0 337.463 4.219 20 30 EIEDRO CC[C@@H]1CCC[C@@H](C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC001179053396 1050617681 /nfs/dbraw/zinc/61/76/81/1050617681.db2.gz KYWBGISAAWRCPR-UYAOXDASSA-N 1 0 339.527 4.329 20 30 EIEDRO N#Cc1ccc(CC[NH2+]Cc2csc(-c3cccs3)n2)cc1 ZINC001179142392 1050632332 /nfs/dbraw/zinc/63/23/32/1050632332.db2.gz HDSNVBPLACSXFY-UHFFFAOYSA-N 1 0 325.462 4.076 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC(C)(C)C(O)(CC)CC ZINC001179135162 1050637868 /nfs/dbraw/zinc/63/78/68/1050637868.db2.gz GXJCJDPNETUREH-UHFFFAOYSA-N 1 0 337.891 4.019 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)cc(OC)c1O ZINC001179147706 1050640378 /nfs/dbraw/zinc/64/03/78/1050640378.db2.gz JMUCIIYDWCZYSS-VFNWGFHPSA-N 1 0 337.463 4.461 20 30 EIEDRO Cc1cc(C)cc(C[NH2+]Cc2cc(C#N)ccc2Br)c1 ZINC001179222275 1050652221 /nfs/dbraw/zinc/65/22/21/1050652221.db2.gz GADVYWNATMFJIB-UHFFFAOYSA-N 1 0 329.241 4.227 20 30 EIEDRO C=C(Br)C[NH2+][C@H](C)c1ccc(OCC(C)C)c(OC)c1 ZINC000775155323 1050670387 /nfs/dbraw/zinc/67/03/87/1050670387.db2.gz XOKALZIQSCQXEM-CYBMUJFWSA-N 1 0 342.277 4.289 20 30 EIEDRO CC(C)(CCC#N)CN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760406 1050682830 /nfs/dbraw/zinc/68/28/30/1050682830.db2.gz ANVJGPNKRQBWPM-INIZCTEOSA-N 1 0 340.389 4.409 20 30 EIEDRO Cc1cc(C[NH2+]C[C@@H]2CCCCN2Cc2ccccc2)ccc1C#N ZINC001179381513 1050685207 /nfs/dbraw/zinc/68/52/07/1050685207.db2.gz BTLMMTXUARKXGI-QFIPXVFZSA-N 1 0 333.479 4.011 20 30 EIEDRO COc1ccc(C[NH2+]CCc2c(OC)ccc3ccccc32)cc1C#N ZINC001179562763 1050716799 /nfs/dbraw/zinc/71/67/99/1050716799.db2.gz PCLDJWKOUQVDEJ-UHFFFAOYSA-N 1 0 346.430 4.061 20 30 EIEDRO C#CCC1([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCC1 ZINC001179651954 1050735847 /nfs/dbraw/zinc/73/58/47/1050735847.db2.gz SAXSIALDOOCRPP-UHFFFAOYSA-N 1 0 330.431 4.173 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000775163895 1050779338 /nfs/dbraw/zinc/77/93/38/1050779338.db2.gz UQNYYMRYTJUMIK-OAHLLOKOSA-N 1 0 329.403 4.001 20 30 EIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000619427324 1050784670 /nfs/dbraw/zinc/78/46/70/1050784670.db2.gz HDYSCEUBPCFUBH-OAGGEKHMSA-N 1 0 338.451 4.418 20 30 EIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000619427323 1050785115 /nfs/dbraw/zinc/78/51/15/1050785115.db2.gz HDYSCEUBPCFUBH-BZUAXINKSA-N 1 0 338.451 4.418 20 30 EIEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000619426042 1050785977 /nfs/dbraw/zinc/78/59/77/1050785977.db2.gz OOMQSTIGWIENDP-PXNSSMCTSA-N 1 0 340.515 4.117 20 30 EIEDRO CC[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC001179878885 1050815894 /nfs/dbraw/zinc/81/58/94/1050815894.db2.gz UUCWHBLTBPBIAR-JOCHJYFZSA-N 1 0 333.479 4.136 20 30 EIEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001179881671 1050817381 /nfs/dbraw/zinc/81/73/81/1050817381.db2.gz ISDDEHDRUDMAHQ-YLJYHZDGSA-N 1 0 333.479 4.077 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2C)ccc1C#N ZINC000619654699 1050846821 /nfs/dbraw/zinc/84/68/21/1050846821.db2.gz CHZJYLHNYWIPGQ-UHFFFAOYSA-N 1 0 334.341 4.184 20 30 EIEDRO COCCC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000619672638 1050851653 /nfs/dbraw/zinc/85/16/53/1050851653.db2.gz JEGCPKARZZQAQX-LJQANCHMSA-N 1 0 330.378 4.094 20 30 EIEDRO C#CC[N@@H+](Cc1cc2c(cccc2O)s1)Cc1ccc(F)cc1 ZINC001180023789 1050856788 /nfs/dbraw/zinc/85/67/88/1050856788.db2.gz GBPXFVGRYRPPIK-UHFFFAOYSA-N 1 0 325.408 4.381 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cnn1C(C)(C)C ZINC000619754556 1050882888 /nfs/dbraw/zinc/88/28/88/1050882888.db2.gz CXIWBOVEHBQGLX-GFCCVEGCSA-N 1 0 330.863 4.322 20 30 EIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754799 1050883338 /nfs/dbraw/zinc/88/33/38/1050883338.db2.gz KUKOEIBSQCZLAU-QGZVFWFLSA-N 1 0 330.790 4.136 20 30 EIEDRO CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619755575 1050883898 /nfs/dbraw/zinc/88/38/98/1050883898.db2.gz ZVMSFGXRLDGUHN-AWEZNQCLSA-N 1 0 331.872 4.398 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)CCCO2 ZINC000619755930 1050884805 /nfs/dbraw/zinc/88/48/05/1050884805.db2.gz ZKXGEEVRXYLRGO-GOSISDBHSA-N 1 0 342.826 4.224 20 30 EIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619754883 1050885655 /nfs/dbraw/zinc/88/56/55/1050885655.db2.gz NTQLCTCRYMLZBF-LBPRGKRZSA-N 1 0 327.815 4.021 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1Cl ZINC000619748899 1050896606 /nfs/dbraw/zinc/89/66/06/1050896606.db2.gz YAIXVWFBEXXHOH-UHFFFAOYSA-N 1 0 340.732 4.242 20 30 EIEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@H]([NH2+]C(C)C)C3)c2c1 ZINC000619792283 1050914596 /nfs/dbraw/zinc/91/45/96/1050914596.db2.gz ZRCAFLOBMPBORK-HNNXBMFYSA-N 1 0 342.874 4.035 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(OCC)c(OC)c1)[C@H]1CCc2ccccc21 ZINC001180295829 1050958941 /nfs/dbraw/zinc/95/89/41/1050958941.db2.gz AVGWQVWVTLADRZ-FQEVSTJZSA-N 1 0 335.447 4.217 20 30 EIEDRO CC(C)[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC001174574744 1051059429 /nfs/dbraw/zinc/05/94/29/1051059429.db2.gz NIKBTWJRKBOQOD-VTLFHKLASA-N 1 0 339.527 4.159 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 ZINC000183337250 1051084886 /nfs/dbraw/zinc/08/48/86/1051084886.db2.gz YRWVWBASEAXJGL-KBXCAEBGSA-N 1 0 325.843 4.141 20 30 EIEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001180801749 1051086850 /nfs/dbraw/zinc/08/68/50/1051086850.db2.gz IXPKTSIRWIMCFY-BEFAXECRSA-N 1 0 336.483 4.263 20 30 EIEDRO COc1cc(Nc2cc[nH+]c(C)c2)c(C#N)cc1OCc1ccccc1 ZINC001174657681 1051128826 /nfs/dbraw/zinc/12/88/26/1051128826.db2.gz MKOKTSRFDVOUMS-UHFFFAOYSA-N 1 0 345.402 4.015 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000775370582 1051142155 /nfs/dbraw/zinc/14/21/55/1051142155.db2.gz WVKNZZHYSDEUDF-JOCHJYFZSA-N 1 0 331.463 4.326 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CC2(CCOC)CCCCC2)cc1 ZINC000775373284 1051150592 /nfs/dbraw/zinc/15/05/92/1051150592.db2.gz BMZRIKVJYVUWQW-UHFFFAOYSA-N 1 0 329.484 4.165 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000183539450 1051152761 /nfs/dbraw/zinc/15/27/61/1051152761.db2.gz UOUWSHFPTTTYRY-UHFFFAOYSA-N 1 0 339.464 4.007 20 30 EIEDRO CCCCCCC[C@H](C)C(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC001181121965 1051157894 /nfs/dbraw/zinc/15/78/94/1051157894.db2.gz RLSTVXVIFRZITO-KRWDZBQOSA-N 1 0 331.504 4.035 20 30 EIEDRO CCCCCCC[C@H](C)C(=O)N(c1cccc(C)n1)C1CC[NH2+]CC1 ZINC001181121883 1051158161 /nfs/dbraw/zinc/15/81/61/1051158161.db2.gz RFIIBBODFWDJKI-KRWDZBQOSA-N 1 0 345.531 4.472 20 30 EIEDRO CN1CCCc2cc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)ccc21 ZINC000775383009 1051174900 /nfs/dbraw/zinc/17/49/00/1051174900.db2.gz SPOIJJFQIGZLIL-NRFANRHFSA-N 1 0 331.463 4.108 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccccc2C)cc1 ZINC001190408311 1051176968 /nfs/dbraw/zinc/17/69/68/1051176968.db2.gz WARMAXVZYCVXRW-OAQYLSRUSA-N 1 0 332.447 4.142 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001181264842 1051194296 /nfs/dbraw/zinc/19/42/96/1051194296.db2.gz ARXHHLMBVMVEAK-LLVKDONJSA-N 1 0 325.243 4.018 20 30 EIEDRO C#CCN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCc2ccccc21 ZINC001190529329 1051206207 /nfs/dbraw/zinc/20/62/07/1051206207.db2.gz RIPRULQYJRLVNU-IBGZPJMESA-N 1 0 340.810 4.371 20 30 EIEDRO C#CC[N@@H+](CC/C=C/c1cncc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001190529552 1051206308 /nfs/dbraw/zinc/20/63/08/1051206308.db2.gz SQEZGRHFUMKFKJ-XOPAWIAISA-N 1 0 332.447 4.116 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](C/C=C\c3ccc(Cl)cc3)CC2)nc1 ZINC001174872944 1051225039 /nfs/dbraw/zinc/22/50/39/1051225039.db2.gz LKMSSKJIXLUFCA-UPHRSURJSA-N 1 0 337.854 4.499 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 ZINC000775400442 1051229184 /nfs/dbraw/zinc/22/91/84/1051229184.db2.gz PJGGRXKHLXJZRG-JOCHJYFZSA-N 1 0 329.447 4.343 20 30 EIEDRO C#CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC001190708920 1051249335 /nfs/dbraw/zinc/24/93/35/1051249335.db2.gz YTDPNYNHSIVJSM-UHFFFAOYSA-N 1 0 335.369 4.205 20 30 EIEDRO C=CCOc1ccc(CNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC001181686426 1051268341 /nfs/dbraw/zinc/26/83/41/1051268341.db2.gz HAFMNSJQSACXQI-AVRDEDQJSA-N 1 0 342.527 4.384 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001190781631 1051277619 /nfs/dbraw/zinc/27/76/19/1051277619.db2.gz UJCRRNAGEFAWBA-SFHVURJKSA-N 1 0 335.407 4.236 20 30 EIEDRO C=CCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001181753961 1051294964 /nfs/dbraw/zinc/29/49/64/1051294964.db2.gz VFYWEDAETNJSEV-HNNXBMFYSA-N 1 0 345.443 4.038 20 30 EIEDRO C[N@H+](CCc1ccc(Br)cc1)CC1CCC(C#N)CC1 ZINC001190924075 1051300718 /nfs/dbraw/zinc/30/07/18/1051300718.db2.gz ISWLJEWBLIHFQF-UHFFFAOYSA-N 1 0 335.289 4.253 20 30 EIEDRO CC[C@@H](OCC[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001175062058 1051315837 /nfs/dbraw/zinc/31/58/37/1051315837.db2.gz MOKQBHZLLFVTPH-JOCHJYFZSA-N 1 0 334.463 4.279 20 30 EIEDRO C=CC[N@@H+](Cc1cc(C(=O)OC)ccc1OC)CC1CCCCC1 ZINC001190986187 1051319301 /nfs/dbraw/zinc/31/93/01/1051319301.db2.gz WJWOOYSSOSOOLO-UHFFFAOYSA-N 1 0 331.456 4.050 20 30 EIEDRO CCCCCCCNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001191095945 1051362963 /nfs/dbraw/zinc/36/29/63/1051362963.db2.gz MIIZBKNWSIVUKT-FQEVSTJZSA-N 1 0 345.531 4.120 20 30 EIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1(C)C ZINC001191164654 1051371750 /nfs/dbraw/zinc/37/17/50/1051371750.db2.gz IJDAGDVWWQFSCV-JKSUJKDBSA-N 1 0 340.389 4.212 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1C#N ZINC001191173735 1051373571 /nfs/dbraw/zinc/37/35/71/1051373571.db2.gz IHCWLLCGRIHFAC-SFHVURJKSA-N 1 0 336.410 4.101 20 30 EIEDRO C#C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Br)cc1 ZINC001182032053 1051377450 /nfs/dbraw/zinc/37/74/50/1051377450.db2.gz LDIOEXNIAZKJBO-CGZBRXJRSA-N 1 0 331.257 4.185 20 30 EIEDRO CCC[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001191258212 1051396915 /nfs/dbraw/zinc/39/69/15/1051396915.db2.gz KWOPDFXIXNNNSN-KUHUBIRLSA-N 1 0 347.890 4.441 20 30 EIEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001191232111 1051405385 /nfs/dbraw/zinc/40/53/85/1051405385.db2.gz GFZPXHNFXUQYQH-LEWJYISDSA-N 1 0 347.462 4.155 20 30 EIEDRO CCCC[N@H+](CC)[C@@H](C(=O)Nc1ccsc1C#N)c1ccccc1 ZINC001182231074 1051429319 /nfs/dbraw/zinc/42/93/19/1051429319.db2.gz GGGUXBLVIRIFIU-GOSISDBHSA-N 1 0 341.480 4.422 20 30 EIEDRO CC[NH+](CC)CCN(CCCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC001191428847 1051455848 /nfs/dbraw/zinc/45/58/48/1051455848.db2.gz VIYDUGQDIFIHPT-UHFFFAOYSA-N 1 0 342.314 4.441 20 30 EIEDRO CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@H](COC)Cc1ccccc1 ZINC001191454127 1051457306 /nfs/dbraw/zinc/45/73/06/1051457306.db2.gz MLSFQTGNYXFOFZ-NRFANRHFSA-N 1 0 341.882 4.271 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000774145858 1051480241 /nfs/dbraw/zinc/48/02/41/1051480241.db2.gz CIMPDRCADVYVOW-IERDGZPVSA-N 1 0 347.462 4.487 20 30 EIEDRO CO[C@@H]1CC[C@@H](C)[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001175301311 1051484425 /nfs/dbraw/zinc/48/44/25/1051484425.db2.gz QWNWHFFWFMCOKD-DENIHFKCSA-N 1 0 348.490 4.386 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000156081210 1051492844 /nfs/dbraw/zinc/49/28/44/1051492844.db2.gz JZUYQAREYGEGMC-OAHLLOKOSA-N 1 0 341.421 4.404 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(C#N)cc1 ZINC000774180742 1051506228 /nfs/dbraw/zinc/50/62/28/1051506228.db2.gz PLIUZJAWCRMEQN-FCHUYYIVSA-N 1 0 330.431 4.486 20 30 EIEDRO C=C1CC=C(F)C=C1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001182342840 1051510167 /nfs/dbraw/zinc/51/01/67/1051510167.db2.gz GCUMPCSVPVDORG-GOSISDBHSA-N 1 0 340.442 4.020 20 30 EIEDRO C=CCC(CC=C)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157495708 1051643083 /nfs/dbraw/zinc/64/30/83/1051643083.db2.gz AOYMNLDYNVCXIC-GOSISDBHSA-N 1 0 332.532 4.258 20 30 EIEDRO CCCC[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCc2ncsc2C1 ZINC001182716034 1051682384 /nfs/dbraw/zinc/68/23/84/1051682384.db2.gz TYKORFKFTXHZPF-HNNXBMFYSA-N 1 0 343.471 4.313 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cn2)c1 ZINC000775523698 1051701885 /nfs/dbraw/zinc/70/18/85/1051701885.db2.gz LKUJSWXNPIYZTR-XJKSGUPXSA-N 1 0 329.831 4.267 20 30 EIEDRO CC#CCCCCCCCC(=O)N(CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001182772039 1051707969 /nfs/dbraw/zinc/70/79/69/1051707969.db2.gz OZDHICQBFRLHHD-MXVIHJGJSA-N 1 0 334.548 4.495 20 30 EIEDRO C=CCCSCC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC001182783117 1051712446 /nfs/dbraw/zinc/71/24/46/1051712446.db2.gz TZQWERWIHFYNBF-CQSZACIVSA-N 1 0 340.330 4.205 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC001182844605 1051713477 /nfs/dbraw/zinc/71/34/77/1051713477.db2.gz MVTGMOIXFACRFH-GPMSIDNRSA-N 1 0 330.472 4.137 20 30 EIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(Cc2ccc(C)cc2)CC1 ZINC001192470573 1051730852 /nfs/dbraw/zinc/73/08/52/1051730852.db2.gz DACWWVZYEUBNQS-UHFFFAOYSA-N 1 0 334.463 4.330 20 30 EIEDRO CC(C)(C)C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC001192654047 1051780466 /nfs/dbraw/zinc/78/04/66/1051780466.db2.gz TYCWJDMRTHIAQQ-IBGZPJMESA-N 1 0 335.451 4.264 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)OC)o2)C1 ZINC001183065837 1051783355 /nfs/dbraw/zinc/78/33/55/1051783355.db2.gz PYRXJPHORVXAGC-HNNXBMFYSA-N 1 0 325.408 4.131 20 30 EIEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001192682167 1051790932 /nfs/dbraw/zinc/79/09/32/1051790932.db2.gz VPEGQGRELNIJHB-CYBMUJFWSA-N 1 0 332.806 4.481 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)[C@@H]1CCCC[C@H]1C ZINC001183196585 1051804724 /nfs/dbraw/zinc/80/47/24/1051804724.db2.gz DYQMWVYRNMMOOI-MBOZVWFJSA-N 1 0 325.500 4.331 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(OC(F)(F)F)c1 ZINC000775546809 1051807232 /nfs/dbraw/zinc/80/72/32/1051807232.db2.gz GDCZVMBEJAIQBJ-LLVKDONJSA-N 1 0 338.304 4.447 20 30 EIEDRO C[C@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(Cl)c(F)c1 ZINC001192833789 1051816347 /nfs/dbraw/zinc/81/63/47/1051816347.db2.gz MCNGKCRQEOCHJT-ZDUSSCGKSA-N 1 0 332.806 4.470 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC001183292709 1051821302 /nfs/dbraw/zinc/82/13/02/1051821302.db2.gz SNWVRZSBRBJFHP-QHAWAJNXSA-N 1 0 325.500 4.103 20 30 EIEDRO CC1(C)[C@@H](c2cccc(Cl)c2)CC[N@@H+]1Cc1cncc(C#N)c1 ZINC001175873189 1051830745 /nfs/dbraw/zinc/83/07/45/1051830745.db2.gz NLXHPSMATVBRMI-GOSISDBHSA-N 1 0 325.843 4.375 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC001192950376 1051835487 /nfs/dbraw/zinc/83/54/87/1051835487.db2.gz HJCCEOOETNSKLJ-KRWDZBQOSA-N 1 0 337.552 4.442 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc3c(c2)CCCC3)cc1C#N ZINC001183525842 1051851382 /nfs/dbraw/zinc/85/13/82/1051851382.db2.gz HWAVLQLEHBSEHS-MRXNPFEDSA-N 1 0 334.463 4.166 20 30 EIEDRO N#CC1(CC[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)CCCCC1 ZINC001193011491 1051852462 /nfs/dbraw/zinc/85/24/62/1051852462.db2.gz JEKVGPIHHIIIAG-SFHVURJKSA-N 1 0 336.483 4.365 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000774640953 1051854075 /nfs/dbraw/zinc/85/40/75/1051854075.db2.gz XRWUGEVVKBROOV-SLFFLAALSA-N 1 0 340.854 4.145 20 30 EIEDRO C#Cc1cccc(Nc2c(F)cccc2OCC2CC[NH+](C)CC2)c1 ZINC001175977977 1051856685 /nfs/dbraw/zinc/85/66/85/1051856685.db2.gz HVUOTPMMRBXZMA-UHFFFAOYSA-N 1 0 338.426 4.271 20 30 EIEDRO CC[C@@H]1C[N@H+](CCCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC001193208766 1051884749 /nfs/dbraw/zinc/88/47/49/1051884749.db2.gz DAZVHTZKJRCMAX-HXUWFJFHSA-N 1 0 327.516 4.303 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC001193239706 1051890526 /nfs/dbraw/zinc/89/05/26/1051890526.db2.gz RNSOWZJMKPVOSF-UXHICEINSA-N 1 0 348.471 4.227 20 30 EIEDRO C[C@@H]1CCC[C@@H](CC[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001193324977 1051900484 /nfs/dbraw/zinc/90/04/84/1051900484.db2.gz XEXWBDCZNKLYKQ-LQWHRVPQSA-N 1 0 343.490 4.224 20 30 EIEDRO CN(Cc1cc(Cl)cc(C#N)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC001193616171 1051953991 /nfs/dbraw/zinc/95/39/91/1051953991.db2.gz LDWZMVQOGKYTMZ-UHFFFAOYSA-N 1 0 333.907 4.298 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C)(C(C)C)CC1 ZINC001193616125 1051955483 /nfs/dbraw/zinc/95/54/83/1051955483.db2.gz JAOMHDACHJBKLU-QGZVFWFLSA-N 1 0 348.556 4.409 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2cc(C(F)(F)F)ccc2C#N)cc1 ZINC001176229108 1051965016 /nfs/dbraw/zinc/96/50/16/1051965016.db2.gz KBDLSDXTNPHLMA-UHFFFAOYSA-N 1 0 349.356 4.261 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001176234925 1051968914 /nfs/dbraw/zinc/96/89/14/1051968914.db2.gz LLTNRFUUSBZSDE-YOEHRIQHSA-N 1 0 337.492 4.444 20 30 EIEDRO CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]CC1(C#N)CCOCC1 ZINC001184278856 1051985837 /nfs/dbraw/zinc/98/58/37/1051985837.db2.gz WFWJLFPMTZNTAG-GOSISDBHSA-N 1 0 334.891 4.207 20 30 EIEDRO COc1cc(Cl)cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001176343596 1052000149 /nfs/dbraw/zinc/00/01/49/1052000149.db2.gz FWXWDJKGJDZNEL-UHFFFAOYSA-N 1 0 333.844 4.013 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1nc(-c2ccccc2)cs1 ZINC000184528518 1052039879 /nfs/dbraw/zinc/03/98/79/1052039879.db2.gz IYAMXASJMOFIBI-OAHLLOKOSA-N 1 0 349.459 4.411 20 30 EIEDRO C=C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC001193941764 1052042456 /nfs/dbraw/zinc/04/24/56/1052042456.db2.gz FGWWAEQMKQBYIY-KRWDZBQOSA-N 1 0 347.478 4.039 20 30 EIEDRO C#CC[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C(C)C ZINC001176373604 1052045487 /nfs/dbraw/zinc/04/54/87/1052045487.db2.gz UNTPGNWEZHAOHH-UHFFFAOYSA-N 1 0 336.435 4.151 20 30 EIEDRO C#CCn1ccc(C[N@H+](CC)CCCCc2cccc(Cl)c2)n1 ZINC001194010678 1052047979 /nfs/dbraw/zinc/04/79/79/1052047979.db2.gz XLSBSGJFGXOYNZ-UHFFFAOYSA-N 1 0 329.875 4.015 20 30 EIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC001194090462 1052081492 /nfs/dbraw/zinc/08/14/92/1052081492.db2.gz HZCOHPYZQUCAKQ-DLBZAZTESA-N 1 0 339.401 4.240 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)cc1 ZINC001194161737 1052091345 /nfs/dbraw/zinc/09/13/45/1052091345.db2.gz CWARPARHDRBNAV-HLNWXESRSA-N 1 0 341.499 4.045 20 30 EIEDRO Cc1ccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000774791892 1052119002 /nfs/dbraw/zinc/11/90/02/1052119002.db2.gz SVLZMDZDUCTDSE-UHFFFAOYSA-N 1 0 344.842 4.036 20 30 EIEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001194505081 1052161848 /nfs/dbraw/zinc/16/18/48/1052161848.db2.gz JYOWEPUENMPHRL-KKSFZXQISA-N 1 0 336.435 4.197 20 30 EIEDRO CCCCCCCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001177122397 1052228041 /nfs/dbraw/zinc/22/80/41/1052228041.db2.gz DKWDZPLCWSBNRJ-UHFFFAOYSA-N 1 0 335.511 4.028 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)ccc1C#N ZINC000774913997 1052282322 /nfs/dbraw/zinc/28/23/22/1052282322.db2.gz UGGQVVYDXCXIKT-SFTDATJTSA-N 1 0 338.426 4.094 20 30 EIEDRO C=CCCC[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000172174830 1052482128 /nfs/dbraw/zinc/48/21/28/1052482128.db2.gz OBRSQFWXWYIUFB-UHFFFAOYSA-N 1 0 338.451 4.140 20 30 EIEDRO COCCC1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCCCC1 ZINC000185228235 1052544405 /nfs/dbraw/zinc/54/44/05/1052544405.db2.gz IWFQBLBZJHMTHB-UHFFFAOYSA-N 1 0 343.515 4.113 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccccn2)cc1OC ZINC000623337035 1052622692 /nfs/dbraw/zinc/62/26/92/1052622692.db2.gz RCSFLRUHAFKRQJ-ZDUSSCGKSA-N 1 0 332.831 4.159 20 30 EIEDRO CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763961134 1052683448 /nfs/dbraw/zinc/68/34/48/1052683448.db2.gz CGZMKHVAPQAYNJ-NFBKMPQASA-N 1 0 348.490 4.280 20 30 EIEDRO N#C[C@H]1CCC[C@@H](Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000185734539 1052688426 /nfs/dbraw/zinc/68/84/26/1052688426.db2.gz MTUMQTFJZITIBP-PKOBYXMFSA-N 1 0 327.472 4.046 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000180045828 1052775447 /nfs/dbraw/zinc/77/54/47/1052775447.db2.gz ICPPDKMXEWDKRF-GOSISDBHSA-N 1 0 338.451 4.321 20 30 EIEDRO CO[C@@H](CC[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000623967697 1052844077 /nfs/dbraw/zinc/84/40/77/1052844077.db2.gz GEWSXNJYQKWSDC-UFBFGSQYSA-N 1 0 347.274 4.463 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000624003751 1052851195 /nfs/dbraw/zinc/85/11/95/1052851195.db2.gz IEAZYPXQEXVWKV-IGNZVWTISA-N 1 0 330.859 4.379 20 30 EIEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000624037845 1052856393 /nfs/dbraw/zinc/85/63/93/1052856393.db2.gz KGJYKSPUAUJQLL-INIZCTEOSA-N 1 0 327.472 4.252 20 30 EIEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000624037847 1052856939 /nfs/dbraw/zinc/85/69/39/1052856939.db2.gz KGJYKSPUAUJQLL-MRXNPFEDSA-N 1 0 327.472 4.252 20 30 EIEDRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]CCCC#N)cc1OC ZINC000181154600 1052877501 /nfs/dbraw/zinc/87/75/01/1052877501.db2.gz QWZZOGKXFDBELB-IBGZPJMESA-N 1 0 338.451 4.189 20 30 EIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000193089373 1053023153 /nfs/dbraw/zinc/02/31/53/1053023153.db2.gz URGWCVGVWMMQHL-UWJYYQICSA-N 1 0 347.462 4.063 20 30 EIEDRO CC(C)(C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000863856114 1053086996 /nfs/dbraw/zinc/08/69/96/1053086996.db2.gz GTOHOTKQJLSYMI-UHFFFAOYSA-N 1 0 347.462 4.070 20 30 EIEDRO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@H](O)c1ccc(C)cc1 ZINC000775610059 1053091571 /nfs/dbraw/zinc/09/15/71/1053091571.db2.gz LBMDEYRYLDALBZ-IBGZPJMESA-N 1 0 328.843 4.076 20 30 EIEDRO CCC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000850282086 1053107196 /nfs/dbraw/zinc/10/71/96/1053107196.db2.gz RTTPCNYLWLAMLM-SFTDATJTSA-N 1 0 334.463 4.234 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000775615931 1053112912 /nfs/dbraw/zinc/11/29/12/1053112912.db2.gz VOXMBFFQDRHCBH-MOPGFXCFSA-N 1 0 338.451 4.169 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](O)c2cccc3ccccc32)cc1 ZINC000850360482 1053132674 /nfs/dbraw/zinc/13/26/74/1053132674.db2.gz JEPQYQSMNKYHTK-JOCHJYFZSA-N 1 0 344.458 4.464 20 30 EIEDRO COc1ccc(C[N@H+](CCOc2cccc(C#N)c2)C(C)(C)C)cc1 ZINC001194865273 1053134023 /nfs/dbraw/zinc/13/40/23/1053134023.db2.gz SIVGHAAODOTINW-UHFFFAOYSA-N 1 0 338.451 4.246 20 30 EIEDRO Cc1c(C[NH2+]CC2(C#N)CCCCC2)sc2nc(C)nc(C)c12 ZINC000850390770 1053156837 /nfs/dbraw/zinc/15/68/37/1053156837.db2.gz RTILXOYLYIAMMU-UHFFFAOYSA-N 1 0 328.485 4.180 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H](O)c1ccc(Cl)cc1 ZINC000850412164 1053180740 /nfs/dbraw/zinc/18/07/40/1053180740.db2.gz BCOMJHHFVQKYIO-DLBZAZTESA-N 1 0 334.872 4.121 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)ccc1OC ZINC000850444837 1053221118 /nfs/dbraw/zinc/22/11/18/1053221118.db2.gz ZOVLUWVXGSWXHY-PFRQMTDMSA-N 1 0 342.483 4.290 20 30 EIEDRO CC[NH+]1CCC(Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 ZINC000764645535 1053251445 /nfs/dbraw/zinc/25/14/45/1053251445.db2.gz IMBXPAPDHFBJJN-UHFFFAOYSA-N 1 0 335.451 4.033 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000850483031 1053252093 /nfs/dbraw/zinc/25/20/93/1053252093.db2.gz NHIPKUCSXCCPHM-GOEBONIOSA-N 1 0 329.444 4.206 20 30 EIEDRO Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000850493495 1053261258 /nfs/dbraw/zinc/26/12/58/1053261258.db2.gz JHEBWGZLTSLHQC-HZPDHXFCSA-N 1 0 326.415 4.318 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2C[C@H](O)c3ccccc32)CC1 ZINC000850527036 1053289713 /nfs/dbraw/zinc/28/97/13/1053289713.db2.gz FCGMYXHQIUAVBF-WJAUWWTJSA-N 1 0 332.447 4.159 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)cc1 ZINC001195279963 1053359049 /nfs/dbraw/zinc/35/90/49/1053359049.db2.gz QJXAFPPQYKUVNI-OALUTQOASA-N 1 0 326.484 4.143 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccncc1 ZINC000794800648 1053384350 /nfs/dbraw/zinc/38/43/50/1053384350.db2.gz FLXRABBRFPYQQI-LRDDRELGSA-N 1 0 332.245 4.207 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3cc(Br)ccc32)cc1 ZINC000794794521 1053386109 /nfs/dbraw/zinc/38/61/09/1053386109.db2.gz DUYYIWQDPBGHQG-SFHVURJKSA-N 1 0 341.252 4.488 20 30 EIEDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC001195376918 1053392839 /nfs/dbraw/zinc/39/28/39/1053392839.db2.gz RFZQTEQMCHECQX-FQEVSTJZSA-N 1 0 347.462 4.360 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2OC)cc1 ZINC000765084715 1053434502 /nfs/dbraw/zinc/43/45/02/1053434502.db2.gz XLMJOZWXYMQUAR-HUUCEWRRSA-N 1 0 327.399 4.258 20 30 EIEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H](O)c1ccccc1 ZINC000794828061 1053440029 /nfs/dbraw/zinc/44/00/29/1053440029.db2.gz BAJULBUJXDVEJM-PNHOKKKMSA-N 1 0 326.415 4.250 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000615438852 1053455053 /nfs/dbraw/zinc/45/50/53/1053455053.db2.gz FVCWQPCUIJEDHW-RTBURBONSA-N 1 0 333.479 4.216 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000615438849 1053456397 /nfs/dbraw/zinc/45/63/97/1053456397.db2.gz FVCWQPCUIJEDHW-OALUTQOASA-N 1 0 333.479 4.216 20 30 EIEDRO CCOc1cc(F)cc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)c1 ZINC000865462872 1053514095 /nfs/dbraw/zinc/51/40/95/1053514095.db2.gz CWXGCPZKYLJSHG-SFHVURJKSA-N 1 0 342.414 4.195 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC001196057977 1053566732 /nfs/dbraw/zinc/56/67/32/1053566732.db2.gz UKMIYCDQIDSMSU-QAPCUYQASA-N 1 0 334.891 4.071 20 30 EIEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001196047900 1053571279 /nfs/dbraw/zinc/57/12/79/1053571279.db2.gz HUYGPEDIRHSKQP-HKUYNNGSSA-N 1 0 348.531 4.147 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(OC(F)F)cc3F)cc2)CC1 ZINC000865787836 1053594388 /nfs/dbraw/zinc/59/43/88/1053594388.db2.gz ZWWSELNCBBLFGH-UHFFFAOYSA-N 1 0 346.352 4.272 20 30 EIEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C12CCC2 ZINC001196125626 1053596447 /nfs/dbraw/zinc/59/64/47/1053596447.db2.gz SBDMFEQJSKPZIM-DLBZAZTESA-N 1 0 332.875 4.428 20 30 EIEDRO C[C@H](COc1cccc(F)c1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000338950869 1053599455 /nfs/dbraw/zinc/59/94/55/1053599455.db2.gz GESVWBRQGCPUMU-MRXNPFEDSA-N 1 0 342.414 4.065 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(C(C)(C)C)o2)cc1 ZINC000865814266 1053600152 /nfs/dbraw/zinc/60/01/52/1053600152.db2.gz HLGOCAWRXQNBLW-UHFFFAOYSA-N 1 0 325.456 4.217 20 30 EIEDRO CCCCCCCC[C@@H](C)C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000852875718 1053617240 /nfs/dbraw/zinc/61/72/40/1053617240.db2.gz OAZYGNIHBVEAGQ-MRXNPFEDSA-N 1 0 334.508 4.133 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC001196321985 1053638806 /nfs/dbraw/zinc/63/88/06/1053638806.db2.gz HAXJUARFLBHYKN-SOUVJXGZSA-N 1 0 348.874 4.167 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cc(F)cc(Br)c1 ZINC001196330489 1053642093 /nfs/dbraw/zinc/64/20/93/1053642093.db2.gz ZKQVQFRXRSAGTD-GASCZTMLSA-N 1 0 340.236 4.150 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853094294 1053643405 /nfs/dbraw/zinc/64/34/05/1053643405.db2.gz APTUSFYPQHEARQ-CVEARBPZSA-N 1 0 336.435 4.153 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3cc(OC)ccc32)c1 ZINC000866296310 1053681162 /nfs/dbraw/zinc/68/11/62/1053681162.db2.gz AJTIMPZMLGJUCT-LAUBAEHRSA-N 1 0 336.435 4.153 20 30 EIEDRO CCc1cccc2c(CC[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)c[nH]c21 ZINC000111397676 1053682091 /nfs/dbraw/zinc/68/20/91/1053682091.db2.gz CZSXSAFVUDXXOY-INIZCTEOSA-N 1 0 347.462 4.353 20 30 EIEDRO C[C@@H](CCc1cccnc1)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000866303112 1053682701 /nfs/dbraw/zinc/68/27/01/1053682701.db2.gz NZZQHOYUFALZCI-HNNXBMFYSA-N 1 0 332.369 4.063 20 30 EIEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1C)c1ccc(F)c(F)c1 ZINC000775726238 1053694531 /nfs/dbraw/zinc/69/45/31/1053694531.db2.gz ZSFDYCUQMGMZBY-MOPGFXCFSA-N 1 0 335.369 4.353 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1csc(C#N)c1 ZINC000921535794 1053729078 /nfs/dbraw/zinc/72/90/78/1053729078.db2.gz MARGOUXGGMNAQA-INIZCTEOSA-N 1 0 339.508 4.284 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000866448636 1053732787 /nfs/dbraw/zinc/73/27/87/1053732787.db2.gz INHOLKGXSRVEDC-UHFFFAOYSA-N 1 0 349.453 4.202 20 30 EIEDRO Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000866617707 1053807841 /nfs/dbraw/zinc/80/78/41/1053807841.db2.gz NZGAPCGVRVYXGT-GIVPXCGWSA-N 1 0 331.463 4.045 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc2ccccc2c1)c1ccc(C#N)c(F)c1 ZINC000776738624 1053811104 /nfs/dbraw/zinc/81/11/04/1053811104.db2.gz GEVUBYIWSMYSCR-SZNDQCEHSA-N 1 0 334.394 4.235 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000776744722 1053820084 /nfs/dbraw/zinc/82/00/84/1053820084.db2.gz BLKBDTMMAXNKMS-CYBMUJFWSA-N 1 0 346.327 4.418 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2ccccc2O)cc1 ZINC000765621463 1053821268 /nfs/dbraw/zinc/82/12/68/1053821268.db2.gz VGQADUSOXZDPNI-HNNXBMFYSA-N 1 0 331.843 4.417 20 30 EIEDRO CCCCCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000776747422 1053824154 /nfs/dbraw/zinc/82/41/54/1053824154.db2.gz XRCRUIXSNVADPG-ZDUSSCGKSA-N 1 0 333.444 4.304 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccccc2F)cc(OC)c1OC ZINC000112538681 1053839072 /nfs/dbraw/zinc/83/90/72/1053839072.db2.gz LFAAIZXUBCIMQC-CQSZACIVSA-N 1 0 329.415 4.422 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000552271051 1053846688 /nfs/dbraw/zinc/84/66/88/1053846688.db2.gz PKGZEMXPUHLLRH-DUXKGJEZSA-N 1 0 338.426 4.138 20 30 EIEDRO Cc1csc(C2([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CCCC2)n1 ZINC000112711099 1053851752 /nfs/dbraw/zinc/85/17/52/1053851752.db2.gz HZEDXOUMKVIZLV-OAHLLOKOSA-N 1 0 341.480 4.302 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cnn(C2CCC2)c1 ZINC000925488543 1053855977 /nfs/dbraw/zinc/85/59/77/1053855977.db2.gz KNHSEXZJTLPUBI-CQSZACIVSA-N 1 0 347.384 4.329 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000543731210 1053864365 /nfs/dbraw/zinc/86/43/65/1053864365.db2.gz WRHQOKOIDUQLME-SJFMBGHLSA-N 1 0 345.446 4.065 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000543731207 1053864775 /nfs/dbraw/zinc/86/47/75/1053864775.db2.gz WRHQOKOIDUQLME-CBUFDYBVSA-N 1 0 345.446 4.065 20 30 EIEDRO N#CCCCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000172118648 1053887513 /nfs/dbraw/zinc/88/75/13/1053887513.db2.gz BGUYVBBXGJWGKT-UHFFFAOYSA-N 1 0 335.860 4.159 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(F)cc2C)ccc1OC ZINC000113348226 1053924669 /nfs/dbraw/zinc/92/46/69/1053924669.db2.gz BIKZFDIYXZHBBA-SFHVURJKSA-N 1 0 342.414 4.114 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC001197599921 1053952249 /nfs/dbraw/zinc/95/22/49/1053952249.db2.gz ASKSTBQTCCSXAV-CVEARBPZSA-N 1 0 336.545 4.265 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(C)(C)C ZINC001197599925 1053952493 /nfs/dbraw/zinc/95/24/93/1053952493.db2.gz ASKSTBQTCCSXAV-JKSUJKDBSA-N 1 0 336.545 4.265 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1 ZINC000765755284 1053985964 /nfs/dbraw/zinc/98/59/64/1053985964.db2.gz RQOUQQARPFJWNB-ZBFHGGJFSA-N 1 0 347.890 4.310 20 30 EIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)c1 ZINC000113961722 1054033357 /nfs/dbraw/zinc/03/33/57/1054033357.db2.gz KYMZCJQIZFVSKA-IBGZPJMESA-N 1 0 336.435 4.222 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(CNc2cc[nH+]c3c(O)cccc23)c1 ZINC000795094899 1054036612 /nfs/dbraw/zinc/03/66/12/1054036612.db2.gz BIKYLLLOGKAROB-HNNXBMFYSA-N 1 0 333.391 4.233 20 30 EIEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(OCc2cccnc2)cc1 ZINC001198195506 1054101706 /nfs/dbraw/zinc/10/17/06/1054101706.db2.gz ZGIQYHOMMDUOAG-UHFFFAOYSA-N 1 0 349.459 4.226 20 30 EIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)cc1 ZINC001198242009 1054108429 /nfs/dbraw/zinc/10/84/29/1054108429.db2.gz PKAOCJPLYDBQSZ-JOCHJYFZSA-N 1 0 330.431 4.193 20 30 EIEDRO CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000123673700 1054221467 /nfs/dbraw/zinc/22/14/67/1054221467.db2.gz OZXONDIXYSGTJU-UHFFFAOYSA-N 1 0 333.479 4.449 20 30 EIEDRO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCCC12CCCCCC2 ZINC001198743026 1054240320 /nfs/dbraw/zinc/24/03/20/1054240320.db2.gz QTMNLNDFOVEJDN-UHFFFAOYSA-N 1 0 331.485 4.137 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000857556005 1054309124 /nfs/dbraw/zinc/30/91/24/1054309124.db2.gz KOTSFUUBEQQAMG-HLNWXESRSA-N 1 0 341.499 4.045 20 30 EIEDRO C#Cc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N(CC)CC)cc1 ZINC001199000306 1054324783 /nfs/dbraw/zinc/32/47/83/1054324783.db2.gz FZXHCLBMRPKHAP-NRFANRHFSA-N 1 0 340.898 4.494 20 30 EIEDRO CC[NH+](CC)[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)CC(C)C ZINC001199162045 1054357650 /nfs/dbraw/zinc/35/76/50/1054357650.db2.gz NXZQILUBGXPIBF-HXUWFJFHSA-N 1 0 329.532 4.334 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000872045484 1054360148 /nfs/dbraw/zinc/36/01/48/1054360148.db2.gz MRRPMUBOGIPSMF-SCTDSRPQSA-N 1 0 330.472 4.051 20 30 EIEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858011544 1054395151 /nfs/dbraw/zinc/39/51/51/1054395151.db2.gz WAAYMEZDOKOWLI-SFHVURJKSA-N 1 0 327.472 4.132 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017339 1054401962 /nfs/dbraw/zinc/40/19/62/1054401962.db2.gz NPKYQVQOYRRTCM-KKSFZXQISA-N 1 0 347.462 4.435 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cc(F)cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000872125330 1054403789 /nfs/dbraw/zinc/40/37/89/1054403789.db2.gz ZALAGEJASFNWTQ-BBRMVZONSA-N 1 0 347.434 4.345 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052185 1054410992 /nfs/dbraw/zinc/41/09/92/1054410992.db2.gz UYTXJPFFSGZINQ-YWZLYKJASA-N 1 0 333.435 4.045 20 30 EIEDRO C=CCSc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc[nH]1 ZINC000078961854 1054426420 /nfs/dbraw/zinc/42/64/20/1054426420.db2.gz UOXKPAKINQKUSJ-KRWDZBQOSA-N 1 0 341.480 4.068 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)cc1 ZINC000777014180 1054454023 /nfs/dbraw/zinc/45/40/23/1054454023.db2.gz ZTEDNEHVVAMVGZ-SMDDNHRTSA-N 1 0 337.769 4.046 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccns2)cc1OC ZINC000858318077 1054462692 /nfs/dbraw/zinc/46/26/92/1054462692.db2.gz LHEKQPZCWOSLLP-LLVKDONJSA-N 1 0 338.860 4.221 20 30 EIEDRO C[C@H]1Cc2ccccc2N1CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001199801479 1054473323 /nfs/dbraw/zinc/47/33/23/1054473323.db2.gz RRICWYMYNDKZLV-KRWDZBQOSA-N 1 0 333.479 4.029 20 30 EIEDRO C[C@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccc(OCC#N)cc1 ZINC000858567774 1054520561 /nfs/dbraw/zinc/52/05/61/1054520561.db2.gz GEUXSZRVCRBFFU-ZDUSSCGKSA-N 1 0 326.362 4.362 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(F)c(F)c2)cc(OC)c1OC ZINC000105478340 1054525663 /nfs/dbraw/zinc/52/56/63/1054525663.db2.gz KYQUORZRFVIBDM-UHFFFAOYSA-N 1 0 333.378 4.000 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282193917 1054534765 /nfs/dbraw/zinc/53/47/65/1054534765.db2.gz WTKLAXFKOWSGFT-LPHOPBHVSA-N 1 0 334.467 4.032 20 30 EIEDRO Cc1ccc(CSCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000776154660 1054753412 /nfs/dbraw/zinc/75/34/12/1054753412.db2.gz WYFLNJXIJORGQC-KRWDZBQOSA-N 1 0 340.492 4.481 20 30 EIEDRO COc1ccc([C@@H]2C[C@H]([NH2+][C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC001168585607 1054765700 /nfs/dbraw/zinc/76/57/00/1054765700.db2.gz ICCAPXODRDRRLV-DLVCFXQMSA-N 1 0 336.435 4.138 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1SCCc2ccccc21)c1ccc(OCC#N)cc1 ZINC000776162146 1054773107 /nfs/dbraw/zinc/77/31/07/1054773107.db2.gz BZMSJZOFGILRGD-YWZLYKJASA-N 1 0 338.476 4.270 20 30 EIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)[C@@H](C)[C@H]1OC ZINC000776163218 1054777097 /nfs/dbraw/zinc/77/70/97/1054777097.db2.gz GLBCTORQQXLZTF-OHDICMOHSA-N 1 0 330.472 4.079 20 30 EIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000776172527 1054802094 /nfs/dbraw/zinc/80/20/94/1054802094.db2.gz ZPYHYIJTWLCDGU-AUUYWEPGSA-N 1 0 344.842 4.281 20 30 EIEDRO C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@H](C)CCC=C(C)C)CC2 ZINC001201487544 1054815373 /nfs/dbraw/zinc/81/53/73/1054815373.db2.gz SQBRRVNMBVWPHU-GOSISDBHSA-N 1 0 334.504 4.089 20 30 EIEDRO C[C@@]12CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]1C2(Cl)Cl ZINC000825824690 1054824048 /nfs/dbraw/zinc/82/40/48/1054824048.db2.gz MNQAEQQJQPIIHQ-JKSUJKDBSA-N 1 0 335.278 4.257 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001201644619 1054876015 /nfs/dbraw/zinc/87/60/15/1054876015.db2.gz IEGVAGLZCDHOAV-DLBZAZTESA-N 1 0 336.520 4.358 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CCN(CC3CCCC3)C2=O)CC1 ZINC001201762773 1054900980 /nfs/dbraw/zinc/90/09/80/1054900980.db2.gz UKUZLOFVZOVJAZ-UHFFFAOYSA-N 1 0 334.548 4.462 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001201762913 1054901403 /nfs/dbraw/zinc/90/14/03/1054901403.db2.gz ZFFXSLCVHYSPOY-OAQYLSRUSA-N 1 0 343.515 4.009 20 30 EIEDRO CCCCCCCC[NH+]1C[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001201804441 1054912747 /nfs/dbraw/zinc/91/27/47/1054912747.db2.gz JWLIPCXKZDJFOC-WOJBJXKFSA-N 1 0 328.500 4.051 20 30 EIEDRO CCCCCCC[N@H+]1Cc2cnn(CC3CC3)c2[C@@H](COCC)C1 ZINC001201777276 1054917174 /nfs/dbraw/zinc/91/71/74/1054917174.db2.gz VAVMWOVPOMJHJX-LJQANCHMSA-N 1 0 333.520 4.199 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC001201786076 1054917253 /nfs/dbraw/zinc/91/72/53/1054917253.db2.gz GLFHIXPIBCBZNF-QGZVFWFLSA-N 1 0 334.463 4.219 20 30 EIEDRO CCCCCCCCCC[N@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001201852896 1054922344 /nfs/dbraw/zinc/92/23/44/1054922344.db2.gz QVBDNGHPUJXPCP-IBGZPJMESA-N 1 0 335.536 4.497 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CCCN2Cc2ccn(C)n2)CC1 ZINC001201825690 1054925831 /nfs/dbraw/zinc/92/58/31/1054925831.db2.gz CUMVYRJKRBIDRD-UHFFFAOYSA-N 1 0 346.563 4.211 20 30 EIEDRO CCCCCCCCC[N@@H+]1CCCn2nc(C(=O)OCC)cc2C1 ZINC001201838949 1054930622 /nfs/dbraw/zinc/93/06/22/1054930622.db2.gz GQZOQTPGNHUUFK-UHFFFAOYSA-N 1 0 335.492 4.016 20 30 EIEDRO CCCCCCCC[NH+]1CCC(NC(=O)c2ccccc2OC)CC1 ZINC001201839378 1054931311 /nfs/dbraw/zinc/93/13/11/1054931311.db2.gz AUZJJVSPSDMMEV-UHFFFAOYSA-N 1 0 346.515 4.250 20 30 EIEDRO CCCCCCCCC[N@@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001201846303 1054932975 /nfs/dbraw/zinc/93/29/75/1054932975.db2.gz HJJULOASLJJWFW-UHFFFAOYSA-N 1 0 347.547 4.455 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001201840540 1054933631 /nfs/dbraw/zinc/93/36/31/1054933631.db2.gz ZQZYSKSQFPSMRO-MRXNPFEDSA-N 1 0 332.463 4.216 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1O ZINC000776220644 1054936895 /nfs/dbraw/zinc/93/68/95/1054936895.db2.gz YFHSKTIYKVEUGC-GFCCVEGCSA-N 1 0 345.240 4.186 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2cc(Cl)cc(Cl)c2OC)CC1 ZINC000106245360 1054938169 /nfs/dbraw/zinc/93/81/69/1054938169.db2.gz IGIWKYYAHGASGC-UHFFFAOYSA-N 1 0 343.298 4.132 20 30 EIEDRO C[C@@H](C#N)CN(Cc1ccc(NC(=O)OC(C)(C)C)cc1)C1CC1 ZINC000876791550 1054959337 /nfs/dbraw/zinc/95/93/37/1054959337.db2.gz MAOAIRZIWFIOGO-AWEZNQCLSA-N 1 0 329.444 4.158 20 30 EIEDRO CC(C)[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)Nc1ccccc1 ZINC000118449334 1054979892 /nfs/dbraw/zinc/97/98/92/1054979892.db2.gz KIUBDTOBNYHWEB-DYESRHJHSA-N 1 0 337.467 4.204 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cc(Br)cc(C)c1O)c1ccccc1 ZINC000776253127 1055061179 /nfs/dbraw/zinc/06/11/79/1055061179.db2.gz SDAZXLIRKXEDDM-QGZVFWFLSA-N 1 0 344.252 4.317 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000877501530 1055066566 /nfs/dbraw/zinc/06/65/66/1055066566.db2.gz QAYNACFDTQRDPY-UHFFFAOYSA-N 1 0 343.471 4.453 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC001137121530 1055068958 /nfs/dbraw/zinc/06/89/58/1055068958.db2.gz PPTDMKGBSMWGFK-IBGZPJMESA-N 1 0 338.426 4.183 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(C(F)(F)F)nc1Cl ZINC000877549246 1055077960 /nfs/dbraw/zinc/07/79/60/1055077960.db2.gz ABFAHUNXIBDMKY-KPPDAEKUSA-N 1 0 331.769 4.487 20 30 EIEDRO COc1ccc([C@@H]2C[C@@H]([NH2+]C34CCC(C#N)(CC3)CC4)CCO2)cc1 ZINC001168598197 1055093962 /nfs/dbraw/zinc/09/39/62/1055093962.db2.gz DHDZTJUOOPAFJM-FNOBOGDDSA-N 1 0 340.467 4.121 20 30 EIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877654917 1055100944 /nfs/dbraw/zinc/10/09/44/1055100944.db2.gz KVJWMKXCCADLFU-QAQDUYKDSA-N 1 0 335.879 4.070 20 30 EIEDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c(C#N)c(Cl)nc2cccc(F)c21 ZINC001168601591 1055103549 /nfs/dbraw/zinc/10/35/49/1055103549.db2.gz PSQTWYGAPVDGQX-ZFWWWQNUSA-N 1 0 346.837 4.184 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000339052715 1055153033 /nfs/dbraw/zinc/15/30/33/1055153033.db2.gz PDTNFICSQFODDZ-UHFFFAOYSA-N 1 0 347.443 4.162 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@H+](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000877917125 1055153407 /nfs/dbraw/zinc/15/34/07/1055153407.db2.gz SUSFWLHYBHJCEI-QFIPXVFZSA-N 1 0 332.447 4.092 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000877944624 1055159602 /nfs/dbraw/zinc/15/96/02/1055159602.db2.gz FZXFDVFUOOILEK-HXUWFJFHSA-N 1 0 340.854 4.212 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCc2ccccc2[C@@H]1C)c1ccccc1 ZINC000878082813 1055183305 /nfs/dbraw/zinc/18/33/05/1055183305.db2.gz GIPIBDLYJAGGSR-HTAPYJJXSA-N 1 0 332.447 4.046 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](CCCC(F)(F)F)CC2)cc1Cl ZINC001202432913 1055183631 /nfs/dbraw/zinc/18/36/31/1055183631.db2.gz BSOSAKLZYUEVAD-UHFFFAOYSA-N 1 0 346.780 4.397 20 30 EIEDRO C=CC[N@@H+](Cc1nnc(-c2ccccc2O)o1)CC1CCCCC1 ZINC000878097946 1055188156 /nfs/dbraw/zinc/18/81/56/1055188156.db2.gz QMPUQWFUSJMHLT-UHFFFAOYSA-N 1 0 327.428 4.011 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C)c1ccccc1 ZINC000878176981 1055199265 /nfs/dbraw/zinc/19/92/65/1055199265.db2.gz QPFKZACNNVJTFO-YFXJRYMSSA-N 1 0 346.474 4.305 20 30 EIEDRO C=CC[C@@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)c1ccncc1 ZINC000863552926 1055227749 /nfs/dbraw/zinc/22/77/49/1055227749.db2.gz QRLXMBQXGWXAQO-NJEKYYFSSA-N 1 0 336.479 4.377 20 30 EIEDRO C=CCCC[C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000878317812 1055240487 /nfs/dbraw/zinc/24/04/87/1055240487.db2.gz SEQUVDAEWOGTES-OAQYLSRUSA-N 1 0 340.511 4.117 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](COC)c2ccccc2)ccc1OC ZINC000113355583 1055286845 /nfs/dbraw/zinc/28/68/45/1055286845.db2.gz YQKUQBJXTFTEHJ-IBGZPJMESA-N 1 0 341.451 4.127 20 30 EIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCCCCCC1 ZINC000108356001 1055289943 /nfs/dbraw/zinc/28/99/43/1055289943.db2.gz NSXGGYCSLLYTBP-INIZCTEOSA-N 1 0 345.512 4.285 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405588 1055295863 /nfs/dbraw/zinc/29/58/63/1055295863.db2.gz IHBRZFCKTOVZGA-GGAORHGYSA-N 1 0 346.474 4.225 20 30 EIEDRO C=CCC1(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)CCCC1 ZINC001128061898 1055706805 /nfs/dbraw/zinc/70/68/05/1055706805.db2.gz ZKVGQDKLWQUSBZ-MJGOQNOKSA-N 1 0 328.500 4.239 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273358714 1055782523 /nfs/dbraw/zinc/78/25/23/1055782523.db2.gz CHPCYEKXEIHZPP-YJBOKZPZSA-N 1 0 330.428 4.111 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000553770430 1055825837 /nfs/dbraw/zinc/82/58/37/1055825837.db2.gz RWUZKIIARQHILZ-CQSZACIVSA-N 1 0 326.415 4.334 20 30 EIEDRO C=CCC[C@H](C)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000542703140 1055852440 /nfs/dbraw/zinc/85/24/40/1055852440.db2.gz GXJWEQPPISFHBC-KRWDZBQOSA-N 1 0 329.488 4.268 20 30 EIEDRO N#Cc1cc(F)c(N[C@H](C[NH+]2CCCC2)c2ccccc2)c(F)c1 ZINC000301340597 1055925562 /nfs/dbraw/zinc/92/55/62/1055925562.db2.gz IFHPYYJNZOJHES-GOSISDBHSA-N 1 0 327.378 4.085 20 30 EIEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(F)cc2C#N)[C@H]1c1cccs1 ZINC000301405270 1055932816 /nfs/dbraw/zinc/93/28/16/1055932816.db2.gz GDIMMULOIDHUCX-UGSOOPFHSA-N 1 0 329.444 4.254 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000301631254 1055961624 /nfs/dbraw/zinc/96/16/24/1055961624.db2.gz IZOWHCQWDJEMLS-UHFFFAOYSA-N 1 0 337.389 4.396 20 30 EIEDRO N#Cc1ccc2nc(N3CCC(CCC[NH+]4CCCC4)CC3)ccc2c1 ZINC000301953742 1056003417 /nfs/dbraw/zinc/00/34/17/1056003417.db2.gz IPOJBMTYAUKJMY-UHFFFAOYSA-N 1 0 348.494 4.199 20 30 EIEDRO N#Cc1ccc2nc(NC[C@H](c3cccs3)[NH+]3CCCC3)ccc2c1 ZINC000301978493 1056005857 /nfs/dbraw/zinc/00/58/57/1056005857.db2.gz ODRFWHPRDCJCAE-GOSISDBHSA-N 1 0 348.475 4.417 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000302067683 1056012703 /nfs/dbraw/zinc/01/27/03/1056012703.db2.gz WSVUHJPADOQSPA-UHFFFAOYSA-N 1 0 347.462 4.359 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000302087997 1056017325 /nfs/dbraw/zinc/01/73/25/1056017325.db2.gz ZUCAUICHPULNNJ-HOTGVXAUSA-N 1 0 331.891 4.302 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2c(C#N)cccc2C#N)CC1 ZINC000302881028 1056083405 /nfs/dbraw/zinc/08/34/05/1056083405.db2.gz ISICVKPCCMSPJO-MRXNPFEDSA-N 1 0 330.435 4.067 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000303766981 1056281717 /nfs/dbraw/zinc/28/17/17/1056281717.db2.gz ITQZYTRDHQAYDM-UHFFFAOYSA-N 1 0 343.515 4.026 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000554831534 1056368649 /nfs/dbraw/zinc/36/86/49/1056368649.db2.gz SNZIJFOYGZJMMF-INIZCTEOSA-N 1 0 349.453 4.285 20 30 EIEDRO N#Cc1cccc(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1F ZINC000554834843 1056376511 /nfs/dbraw/zinc/37/65/11/1056376511.db2.gz KQLJBBCTWKZKFA-AWEZNQCLSA-N 1 0 326.337 4.252 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000765925230 1056548941 /nfs/dbraw/zinc/54/89/41/1056548941.db2.gz GDIZUVVOTGXVHC-SZMVWBNQSA-N 1 0 349.519 4.132 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[N@H+](C2CC2)C2CCCCC2)cc1Cl ZINC000110979964 1056725197 /nfs/dbraw/zinc/72/51/97/1056725197.db2.gz NCPVCESVUBCNHW-UHFFFAOYSA-N 1 0 345.874 4.337 20 30 EIEDRO CCc1nc2cc(C[NH2+]Cc3ccc(C#N)s3)ccc2n1C1CC1 ZINC000554923618 1056745084 /nfs/dbraw/zinc/74/50/84/1056745084.db2.gz DLUYTTWKNVFJBO-UHFFFAOYSA-N 1 0 336.464 4.157 20 30 EIEDRO COc1ccc(C[NH2+]CCCOc2ccc(Cl)cc2C)cc1C#N ZINC000742367857 1058576994 /nfs/dbraw/zinc/57/69/94/1058576994.db2.gz MCQJJWKOWSGEQH-UHFFFAOYSA-N 1 0 344.842 4.087 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)cc1C#N ZINC000742367496 1058578115 /nfs/dbraw/zinc/57/81/15/1058578115.db2.gz ADUALUWAWJTAGC-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO COc1ccc(C[NH2+]C2c3ccccc3-c3ccccc32)cc1C#N ZINC000742366248 1058578378 /nfs/dbraw/zinc/57/83/78/1058578378.db2.gz QDIAVMQDPVWRID-UHFFFAOYSA-N 1 0 326.399 4.426 20 30 EIEDRO COc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCCC2)cc1C#N ZINC000742367611 1058578993 /nfs/dbraw/zinc/57/89/93/1058578993.db2.gz ZWVVQFZVMFIXIB-UHFFFAOYSA-N 1 0 338.426 4.308 20 30 EIEDRO C#CCCC[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 ZINC000742385167 1058587408 /nfs/dbraw/zinc/58/74/08/1058587408.db2.gz YHLSQVODOACTBS-UHFFFAOYSA-N 1 0 347.437 4.490 20 30 EIEDRO C=C(Br)C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000742370344 1058597332 /nfs/dbraw/zinc/59/73/32/1058597332.db2.gz MLNIKWDLTGOFPY-UHFFFAOYSA-N 1 0 332.241 4.360 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000742710051 1058719588 /nfs/dbraw/zinc/71/95/88/1058719588.db2.gz DFAOANUFQAZSAI-FYYLOGMGSA-N 1 0 349.474 4.265 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)COc2ccc(C)cc2)cc1OC ZINC000742734287 1058748241 /nfs/dbraw/zinc/74/82/41/1058748241.db2.gz YYRJVPVPNBWLGR-QGZVFWFLSA-N 1 0 341.451 4.126 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743261774 1058905151 /nfs/dbraw/zinc/90/51/51/1058905151.db2.gz KGBDAMFOEDOQMY-OAQYLSRUSA-N 1 0 325.452 4.034 20 30 EIEDRO CCc1ccc2c(C[NH2+][C@H](C)c3cccc(C#N)c3)cc(=O)oc2c1 ZINC000743493180 1059031562 /nfs/dbraw/zinc/03/15/62/1059031562.db2.gz ZZVSKOWAQBGVFT-CQSZACIVSA-N 1 0 332.403 4.078 20 30 EIEDRO CC(=NNc1cc(C)ccc1C)c1cccc(OCC[NH+](C)C)c1 ZINC000743525537 1059038375 /nfs/dbraw/zinc/03/83/75/1059038375.db2.gz FPJTXIUXAIXRAZ-UHFFFAOYSA-N 1 0 325.456 4.080 20 30 EIEDRO CCCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000746312476 1060109985 /nfs/dbraw/zinc/10/99/85/1060109985.db2.gz VHMGSMSIMMMQJU-QZTJIDSGSA-N 1 0 325.541 4.109 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)ccc1OC ZINC000766439422 1060359636 /nfs/dbraw/zinc/35/96/36/1060359636.db2.gz QYWIHIGYJWDMJD-JOCBIADPSA-N 1 0 330.472 4.290 20 30 EIEDRO Cc1oc2ccccc2c1CC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000766479888 1060386256 /nfs/dbraw/zinc/38/62/56/1060386256.db2.gz QICHJBHTMABVND-OAHLLOKOSA-N 1 0 334.419 4.364 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)c(C)o1 ZINC001168979121 1060550377 /nfs/dbraw/zinc/55/03/77/1060550377.db2.gz BZKKXQPTXGYTOS-CYBMUJFWSA-N 1 0 337.341 4.497 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001169177553 1060687058 /nfs/dbraw/zinc/68/70/58/1060687058.db2.gz LTKNQPNOXSPBJN-OAHLLOKOSA-N 1 0 329.403 4.177 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCc2cncc(OC)c2)cc1 ZINC001169269829 1060754644 /nfs/dbraw/zinc/75/46/44/1060754644.db2.gz HNFKZNRSDUKANS-OAQYLSRUSA-N 1 0 337.467 4.068 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC(C)(C)C2)c1 ZINC001169301539 1060760916 /nfs/dbraw/zinc/76/09/16/1060760916.db2.gz VTWCRIHRMMHEGE-SFHVURJKSA-N 1 0 341.499 4.061 20 30 EIEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC001169352141 1060798363 /nfs/dbraw/zinc/79/83/63/1060798363.db2.gz FRQYGZPFGPPWNM-UHFFFAOYSA-N 1 0 335.451 4.261 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NCC2(C(=O)OCC)CCC2)cc1 ZINC001169561275 1060857828 /nfs/dbraw/zinc/85/78/28/1060857828.db2.gz IWXAHJXZXJVHAJ-IBGZPJMESA-N 1 0 342.483 4.155 20 30 EIEDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000103346930 1060899465 /nfs/dbraw/zinc/89/94/65/1060899465.db2.gz BMXGWYRJAOARQB-HNNXBMFYSA-N 1 0 326.465 4.085 20 30 EIEDRO C=CCOCC[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1 ZINC001169761736 1060949164 /nfs/dbraw/zinc/94/91/64/1060949164.db2.gz NZQPROPJCUCQRD-UHFFFAOYSA-N 1 0 347.352 4.048 20 30 EIEDRO C#CCCC[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000766930621 1061063095 /nfs/dbraw/zinc/06/30/95/1061063095.db2.gz HOAAJUHSGGUMGV-UHFFFAOYSA-N 1 0 338.417 4.015 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1 ZINC000037985143 213183939 /nfs/dbraw/zinc/18/39/39/213183939.db2.gz LADOJQXBCDHCEW-UHFFFAOYSA-N 1 0 338.270 4.365 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(F)cc1 ZINC000532227360 1032105328 /nfs/dbraw/zinc/10/53/28/1032105328.db2.gz DOZKGDHDPMOLQZ-RDTXWAMCSA-N 1 0 341.405 4.156 20 30 EIEDRO C=CCC[C@H](C)[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F ZINC001182508305 1051621200 /nfs/dbraw/zinc/62/12/00/1051621200.db2.gz KSOGTUFBHRNOIE-ZETCQYMHSA-N 1 0 340.158 4.450 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000729683951 1032155520 /nfs/dbraw/zinc/15/55/20/1032155520.db2.gz BCPKWIVVENKFAT-UHFFFAOYSA-N 1 0 335.447 4.310 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000729685366 1032162606 /nfs/dbraw/zinc/16/26/06/1032162606.db2.gz MNUCTVSRZXCQTJ-UHFFFAOYSA-N 1 0 336.366 4.278 20 30 EIEDRO Cc1ccccc1[C@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000536637727 1032224769 /nfs/dbraw/zinc/22/47/69/1032224769.db2.gz YKTWMFXWVGFOJE-IRQNMHNUSA-N 1 0 334.463 4.022 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000054340188 1032280802 /nfs/dbraw/zinc/28/08/02/1032280802.db2.gz PJOBWUBIDNQDBV-OAHLLOKOSA-N 1 0 339.414 4.109 20 30 EIEDRO CC(C)Oc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3cccc(F)c3)C2)cc1 ZINC000262802465 1032306545 /nfs/dbraw/zinc/30/65/45/1032306545.db2.gz MRHVJPCUYPEXSN-RZDIXWSQSA-N 1 0 341.430 4.286 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(C)cc1 ZINC000532902123 1032379884 /nfs/dbraw/zinc/37/98/84/1032379884.db2.gz WDEYZAQBVKTGCZ-UHFFFAOYSA-N 1 0 341.480 4.169 20 30 EIEDRO CC(C)C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C(C)C ZINC000174818443 1032409402 /nfs/dbraw/zinc/40/94/02/1032409402.db2.gz SGFGIAUKWLEHHI-UHFFFAOYSA-N 1 0 325.456 4.104 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)CN1Cc1ccccc1 ZINC000245717237 1032420186 /nfs/dbraw/zinc/42/01/86/1032420186.db2.gz GULLAYYWFJDCMY-BVYCBKJFSA-N 1 0 333.479 4.284 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C2CCC(C)CC2)c1 ZINC000302742714 1032503159 /nfs/dbraw/zinc/50/31/59/1032503159.db2.gz SHRXFJQIIVPZAH-UHFFFAOYSA-N 1 0 341.499 4.061 20 30 EIEDRO CCCC[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000533222356 1032551354 /nfs/dbraw/zinc/55/13/54/1032551354.db2.gz QMNFNELATBUFID-UHFFFAOYSA-N 1 0 338.451 4.378 20 30 EIEDRO CC(C)CCOC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000179332559 1032558624 /nfs/dbraw/zinc/55/86/24/1032558624.db2.gz KOMPZOJQXMORFD-UHFFFAOYSA-N 1 0 344.499 4.396 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)cc1 ZINC000180439333 1032590696 /nfs/dbraw/zinc/59/06/96/1032590696.db2.gz HPOKEJGXTYBOLX-LIRRHRJNSA-N 1 0 340.398 4.120 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000533288562 1032599271 /nfs/dbraw/zinc/59/92/71/1032599271.db2.gz OPRQJBMBLRPQRY-IAGOWNOFSA-N 1 0 334.529 4.478 20 30 EIEDRO CCC(CC)[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000533406367 1032737269 /nfs/dbraw/zinc/73/72/69/1032737269.db2.gz WHYMIVZYJVYVSA-UHFFFAOYSA-N 1 0 337.467 4.391 20 30 EIEDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000512427857 1032745360 /nfs/dbraw/zinc/74/53/60/1032745360.db2.gz NSKLLILUAIZZTG-MAUKXSAKSA-N 1 0 339.401 4.072 20 30 EIEDRO N#CCCC1CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000579714734 1018807365 /nfs/dbraw/zinc/80/73/65/1018807365.db2.gz RRIXQVYNOAGWHG-UHFFFAOYSA-N 1 0 335.451 4.176 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000577580166 1018860879 /nfs/dbraw/zinc/86/08/79/1018860879.db2.gz LXLRCTMUXSQVFZ-BAGYTPMASA-N 1 0 347.462 4.231 20 30 EIEDRO COc1ccc(C[NH2+]C2CC(C(C)(C)C)C2)cc1OCCCC#N ZINC000339468084 1018943223 /nfs/dbraw/zinc/94/32/23/1018943223.db2.gz OHEFXORBGRGBFU-UHFFFAOYSA-N 1 0 330.472 4.292 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC3(CC3(F)F)CC2)ccc1OC ZINC000651953290 1019030548 /nfs/dbraw/zinc/03/05/48/1019030548.db2.gz BGDPHBZRNJFVES-UHFFFAOYSA-N 1 0 337.410 4.271 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](CSC)C2)ccc1OC ZINC000430187477 1019055184 /nfs/dbraw/zinc/05/51/84/1019055184.db2.gz CCVFRLGLYSPMBW-QGZVFWFLSA-N 1 0 335.513 4.225 20 30 EIEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000274737188 1019092033 /nfs/dbraw/zinc/09/20/33/1019092033.db2.gz IDRJYPWTERJJKS-ZIAGYGMSSA-N 1 0 333.501 4.044 20 30 EIEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000274737182 1019092064 /nfs/dbraw/zinc/09/20/64/1019092064.db2.gz IDRJYPWTERJJKS-KGLIPLIRSA-N 1 0 333.501 4.044 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cccc(OC(F)(F)F)c1 ZINC000175753840 1019499908 /nfs/dbraw/zinc/49/99/08/1019499908.db2.gz FMPIZFCYCNPKEN-SNVBAGLBSA-N 1 0 326.343 4.369 20 30 EIEDRO FC[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204428058 1019672475 /nfs/dbraw/zinc/67/24/75/1019672475.db2.gz BTFDUYHQJMHZIP-GFCCVEGCSA-N 1 0 345.258 4.309 20 30 EIEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000274807086 1019681049 /nfs/dbraw/zinc/68/10/49/1019681049.db2.gz SEXKXDSUOYQVRV-KBPBESRZSA-N 1 0 333.501 4.186 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000154343444 1019732287 /nfs/dbraw/zinc/73/22/87/1019732287.db2.gz BKWBCFQOGYQWSR-JKSUJKDBSA-N 1 0 333.435 4.097 20 30 EIEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000150892904 1032849829 /nfs/dbraw/zinc/84/98/29/1032849829.db2.gz IYCSSNQMPMRPHV-OAHLLOKOSA-N 1 0 337.389 4.032 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274816886 1019755406 /nfs/dbraw/zinc/75/54/06/1019755406.db2.gz ZJHHKFHHHPXGQA-QWFCFKBJSA-N 1 0 349.478 4.300 20 30 EIEDRO CCCOCc1ccccc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236893261 1032866546 /nfs/dbraw/zinc/86/65/46/1032866546.db2.gz SERXJHVIKRQUBI-QGZVFWFLSA-N 1 0 338.451 4.194 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccccc2F)CC1)c1ccc(C#N)s1 ZINC000134784427 1019987876 /nfs/dbraw/zinc/98/78/76/1019987876.db2.gz YVUUPRFIBNXWQC-CQSZACIVSA-N 1 0 343.471 4.074 20 30 EIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000134916811 1020247919 /nfs/dbraw/zinc/24/79/19/1020247919.db2.gz FJKLWQSNJNZRHK-STQMWFEESA-N 1 0 328.435 4.369 20 30 EIEDRO C#CCCCCCC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC001167123468 1020269913 /nfs/dbraw/zinc/26/99/13/1020269913.db2.gz UWXITXDVFJLZHC-UHFFFAOYSA-N 1 0 332.532 4.075 20 30 EIEDRO C=CCCCCC[N@H+]1CC[C@H](Oc2ccc(C(=O)NCCC)cc2)C1 ZINC001209432645 1020329679 /nfs/dbraw/zinc/32/96/79/1020329679.db2.gz HVLHGXMWGSKULC-FQEVSTJZSA-N 1 0 344.499 4.026 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CCc2ncn(C)c2[C@H]1COCC=C ZINC001209439715 1020343918 /nfs/dbraw/zinc/34/39/18/1020343918.db2.gz WPQIEXXQTOFVIP-LJQANCHMSA-N 1 0 331.504 4.049 20 30 EIEDRO CC[NH+](CC)[C@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccco1 ZINC000120826578 1020380087 /nfs/dbraw/zinc/38/00/87/1020380087.db2.gz JGIIYOYRGLNYHE-KOMLCTQHSA-N 1 0 337.423 4.035 20 30 EIEDRO C=CCCOCC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000537951846 1020487300 /nfs/dbraw/zinc/48/73/00/1020487300.db2.gz DTVFNVZNVZVCET-CQSZACIVSA-N 1 0 333.863 4.077 20 30 EIEDRO Clc1ccc(C#CC[NH+]2CCC(COc3ccccc3)CC2)cc1 ZINC001167179257 1020490645 /nfs/dbraw/zinc/49/06/45/1020490645.db2.gz XJJFJXZHYTWDDH-UHFFFAOYSA-N 1 0 339.866 4.483 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001167247879 1020666445 /nfs/dbraw/zinc/66/64/45/1020666445.db2.gz GCIGFIBULGCUSY-IRXDYDNUSA-N 1 0 340.389 4.269 20 30 EIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCCC2(C#N)CCOCC2)C12CCCCC2 ZINC000375609595 1020704356 /nfs/dbraw/zinc/70/43/56/1020704356.db2.gz BCANKNIHVFTOEY-RTBURBONSA-N 1 0 348.531 4.147 20 30 EIEDRO COc1ccc([C@@H]2CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)cc1 ZINC001167285964 1020851557 /nfs/dbraw/zinc/85/15/57/1020851557.db2.gz DFGLWDRZGUHHAA-GOSISDBHSA-N 1 0 325.839 4.190 20 30 EIEDRO C=C(C)c1cccc(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)c1 ZINC000890890352 1020865050 /nfs/dbraw/zinc/86/50/50/1020865050.db2.gz QLBPXYWWRSWSTC-UHFFFAOYSA-N 1 0 335.451 4.278 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)cc1C ZINC000375611018 1020900437 /nfs/dbraw/zinc/90/04/37/1020900437.db2.gz IAMFXCCJVOBGFX-IBGZPJMESA-N 1 0 342.483 4.241 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCC2(C#N)CCOCC2)cc1C ZINC000375611020 1020900463 /nfs/dbraw/zinc/90/04/63/1020900463.db2.gz IAMFXCCJVOBGFX-LJQANCHMSA-N 1 0 342.483 4.241 20 30 EIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCCC1(C#N)CCOCC1)CCC2 ZINC000375612613 1020924978 /nfs/dbraw/zinc/92/49/78/1020924978.db2.gz NSWPKDLGHKXOIX-INIZCTEOSA-N 1 0 347.528 4.115 20 30 EIEDRO C=C1CCN(CC(=O)N[C@H](CC(C)(C)C)c2ccc(F)cc2)CC1 ZINC001167329949 1021159105 /nfs/dbraw/zinc/15/91/05/1021159105.db2.gz PSPJYRCVBBXMKL-GOSISDBHSA-N 1 0 332.463 4.071 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000340531074 1021219892 /nfs/dbraw/zinc/21/98/92/1021219892.db2.gz RWKXLOCLXJISKI-IBGZPJMESA-N 1 0 338.476 4.164 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)cc1 ZINC000512517342 1032970151 /nfs/dbraw/zinc/97/01/51/1032970151.db2.gz UWYAFWCKEBAKFE-UHFFFAOYSA-N 1 0 347.462 4.250 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)cc1 ZINC000512517290 1032970990 /nfs/dbraw/zinc/97/09/90/1032970990.db2.gz UASQQQSXCOMLRY-UHFFFAOYSA-N 1 0 347.462 4.250 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccn2)c1)c1cccc(C#N)c1 ZINC000610344941 1021339897 /nfs/dbraw/zinc/33/98/97/1021339897.db2.gz OEECIULHTSZVCD-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO Cc1ccc([C@@H](CNc2ccc(Cl)cc2C#N)[NH+]2CCCC2)o1 ZINC000511379727 1021381820 /nfs/dbraw/zinc/38/18/20/1021381820.db2.gz QJDSUJURNTTYLW-QGZVFWFLSA-N 1 0 329.831 4.362 20 30 EIEDRO CCn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000376085523 1021394868 /nfs/dbraw/zinc/39/48/68/1021394868.db2.gz WENRAWGHYLGUKK-SJCJKPOMSA-N 1 0 328.847 4.156 20 30 EIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000175871138 1021399612 /nfs/dbraw/zinc/39/96/12/1021399612.db2.gz BKUQAQDDNSVXSC-OALUTQOASA-N 1 0 331.529 4.190 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610359264 1021458053 /nfs/dbraw/zinc/45/80/53/1021458053.db2.gz HNDLROQXGFHXLG-KRWDZBQOSA-N 1 0 349.478 4.281 20 30 EIEDRO Cn1cc(C[NH2+]CC(C)(C)c2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180049329 1021483025 /nfs/dbraw/zinc/48/30/25/1021483025.db2.gz WXZJUYUMKUGJHX-UHFFFAOYSA-N 1 0 344.462 4.026 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)c1 ZINC000177693426 1021534017 /nfs/dbraw/zinc/53/40/17/1021534017.db2.gz IFWMBVDPROVRCT-UHFFFAOYSA-N 1 0 327.453 4.016 20 30 EIEDRO CC(C)[C@@H]([NH2+]CCCC(C)(C)C#N)c1nc(-c2ccccc2)no1 ZINC000376149504 1021593507 /nfs/dbraw/zinc/59/35/07/1021593507.db2.gz IYLJEEYCMPYIOP-MRXNPFEDSA-N 1 0 326.444 4.353 20 30 EIEDRO CCCc1noc(-c2cccc(C[NH2+][C@H](C)c3cccc(C#N)c3)c2)n1 ZINC000376167455 1021641738 /nfs/dbraw/zinc/64/17/38/1021641738.db2.gz QZVGNSRPFFFPHS-OAHLLOKOSA-N 1 0 346.434 4.412 20 30 EIEDRO C=CCC[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000580170075 1021731169 /nfs/dbraw/zinc/73/11/69/1021731169.db2.gz IZONQLDQTHNZHJ-IBGZPJMESA-N 1 0 335.451 4.161 20 30 EIEDRO Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000581478519 1021853458 /nfs/dbraw/zinc/85/34/58/1021853458.db2.gz VCCJYGWTGTZYEY-OAQYLSRUSA-N 1 0 342.446 4.220 20 30 EIEDRO Cc1cc(C)c(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379670621 1021868646 /nfs/dbraw/zinc/86/86/46/1021868646.db2.gz JFBAKANMQLRWIK-HKUYNNGSSA-N 1 0 334.467 4.035 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000279936010 1033018111 /nfs/dbraw/zinc/01/81/11/1033018111.db2.gz GQIDFYBOSYNVNI-QGZVFWFLSA-N 1 0 343.515 4.005 20 30 EIEDRO CCC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@@H](O)c1ccccc1 ZINC000279937836 1033017525 /nfs/dbraw/zinc/01/75/25/1033017525.db2.gz BCPSTHNLXIECGF-NDXORKPFSA-N 1 0 338.451 4.142 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000279936009 1033018019 /nfs/dbraw/zinc/01/80/19/1033018019.db2.gz GQIDFYBOSYNVNI-KRWDZBQOSA-N 1 0 343.515 4.005 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(OC)cc1 ZINC000341068971 1022025356 /nfs/dbraw/zinc/02/53/56/1022025356.db2.gz ZPNWAIBEAJERAZ-KRWDZBQOSA-N 1 0 346.377 4.409 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000414174918 1022034933 /nfs/dbraw/zinc/03/49/33/1022034933.db2.gz YNGFYMWHGMLRKS-AWEZNQCLSA-N 1 0 337.261 4.192 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC001167412532 1022107507 /nfs/dbraw/zinc/10/75/07/1022107507.db2.gz MQICIIDJHDIMLW-FOIQADDNSA-N 1 0 338.476 4.245 20 30 EIEDRO C#CC[N@H+](CC1=CCCC1)[C@H]1CCOc2ccc(Br)cc21 ZINC001167420624 1022242790 /nfs/dbraw/zinc/24/27/90/1022242790.db2.gz HLSCNWGFFUKDJC-KRWDZBQOSA-N 1 0 346.268 4.318 20 30 EIEDRO C=CC[C@H]1N(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCCC1(C)C ZINC000415969475 1022316186 /nfs/dbraw/zinc/31/61/86/1022316186.db2.gz GYWIEXSOUIGDLK-QGZVFWFLSA-N 1 0 345.462 4.070 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000248942453 1022340711 /nfs/dbraw/zinc/34/07/11/1022340711.db2.gz YXNYXKFKJMELGG-UCNVEGJOSA-N 1 0 335.447 4.270 20 30 EIEDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC(F)F ZINC000188046772 1022422179 /nfs/dbraw/zinc/42/21/79/1022422179.db2.gz VUVHAGQJJRYXQE-ZDUSSCGKSA-N 1 0 346.377 4.361 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000414294870 1022425021 /nfs/dbraw/zinc/42/50/21/1022425021.db2.gz FCYDGNVCMBLXRX-SFHVURJKSA-N 1 0 340.433 4.180 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000414300915 1022441909 /nfs/dbraw/zinc/44/19/09/1022441909.db2.gz MLDZCFICVVBZFO-LAUBAEHRSA-N 1 0 336.479 4.226 20 30 EIEDRO COCC1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000414318204 1022525557 /nfs/dbraw/zinc/52/55/57/1022525557.db2.gz XINSLLOKFUWJCC-UHFFFAOYSA-N 1 0 326.484 4.185 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000180345639 1022576084 /nfs/dbraw/zinc/57/60/84/1022576084.db2.gz YQYRHTRNFDEZSC-CVEARBPZSA-N 1 0 336.819 4.032 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000472954083 1022620201 /nfs/dbraw/zinc/62/02/01/1022620201.db2.gz POQOEVIMKKWVMC-WBVHZDCISA-N 1 0 330.497 4.438 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000893192594 1022632563 /nfs/dbraw/zinc/63/25/63/1022632563.db2.gz XVDMEOAXGMQUMQ-KRWDZBQOSA-N 1 0 327.424 4.207 20 30 EIEDRO Cc1csc(N2CCC([NH2+][C@@H](CCC#N)c3ccccc3)CC2)n1 ZINC000090665117 1022747086 /nfs/dbraw/zinc/74/70/86/1022747086.db2.gz XEVDKLOAFSFFGN-SFHVURJKSA-N 1 0 340.496 4.055 20 30 EIEDRO C=C[C@H](CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919624 1022746903 /nfs/dbraw/zinc/74/69/03/1022746903.db2.gz SGWCZGGVRZPUKD-JQVVWYNYSA-N 1 0 348.490 4.298 20 30 EIEDRO CC(C)(C)CC(=O)N1CCC([NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000090665782 1022747224 /nfs/dbraw/zinc/74/72/24/1022747224.db2.gz AXASEEJVUOXVHL-LJQANCHMSA-N 1 0 341.499 4.048 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(OC(F)F)cc2)C2CC2)cc1 ZINC000541392593 1022766607 /nfs/dbraw/zinc/76/66/07/1022766607.db2.gz IQHVHPQMRGQAET-UHFFFAOYSA-N 1 0 328.362 4.324 20 30 EIEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1cc2ccccc2s1 ZINC000581062655 1022816946 /nfs/dbraw/zinc/81/69/46/1022816946.db2.gz KPUNZFYZRSDOKY-CYBMUJFWSA-N 1 0 332.432 4.271 20 30 EIEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000472608064 1022839324 /nfs/dbraw/zinc/83/93/24/1022839324.db2.gz ONECSIYBDGEICF-RYRKJORJSA-N 1 0 327.472 4.080 20 30 EIEDRO CCOc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)cc1F ZINC000106244095 1022857082 /nfs/dbraw/zinc/85/70/82/1022857082.db2.gz JDIGCMYSSVKENS-UHFFFAOYSA-N 1 0 342.414 4.197 20 30 EIEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000581198791 1022868690 /nfs/dbraw/zinc/86/86/90/1022868690.db2.gz XVRORNJBDGQBMX-WRWLIDTKSA-N 1 0 329.488 4.120 20 30 EIEDRO CC(C)(C#N)CCCN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376539428 1022922393 /nfs/dbraw/zinc/92/23/93/1022922393.db2.gz HWEMPYMAIJFBKT-GFCCVEGCSA-N 1 0 344.381 4.031 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CCC1 ZINC001167452366 1022929794 /nfs/dbraw/zinc/92/97/94/1022929794.db2.gz BJEHOENCDFCJSC-QGZVFWFLSA-N 1 0 347.462 4.360 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000365829786 1022972834 /nfs/dbraw/zinc/97/28/34/1022972834.db2.gz CFLOQYWFEIOWHA-OAHLLOKOSA-N 1 0 331.485 4.041 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1OCC ZINC000181386521 1023017080 /nfs/dbraw/zinc/01/70/80/1023017080.db2.gz XPWATHJLCIGIJZ-CQSZACIVSA-N 1 0 342.414 4.346 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccnc2)c2ccc(F)c(F)c2)C1 ZINC000364040433 1023177705 /nfs/dbraw/zinc/17/77/05/1023177705.db2.gz JDPUZPVCQAJGMS-VVFCZOMOSA-N 1 0 327.378 4.121 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000589738935 1023203998 /nfs/dbraw/zinc/20/39/98/1023203998.db2.gz FYZFVYGVHYZFMD-IAGOWNOFSA-N 1 0 345.487 4.026 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CC)[C@@H](C)c2cccnc2)cc1OC ZINC000581456480 1023234524 /nfs/dbraw/zinc/23/45/24/1023234524.db2.gz HFCAFUNTZIOVAY-INIZCTEOSA-N 1 0 326.440 4.238 20 30 EIEDRO COc1ccccc1CCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001167464069 1023235507 /nfs/dbraw/zinc/23/55/07/1023235507.db2.gz FKUPGXZBVIUVIN-RTWAWAEBSA-N 1 0 334.463 4.400 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376854273 1023326139 /nfs/dbraw/zinc/32/61/39/1023326139.db2.gz AJKWEDVCADWEIC-UMPJEAMMSA-N 1 0 341.480 4.288 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000376939780 1023336585 /nfs/dbraw/zinc/33/65/85/1023336585.db2.gz BFYUMRWSHAQRHH-UHFFFAOYSA-N 1 0 331.872 4.032 20 30 EIEDRO C/C(=C\c1ccccc1OC(F)F)C[NH2+]Cc1cccc(C#N)c1 ZINC000584810884 1023336855 /nfs/dbraw/zinc/33/68/55/1023336855.db2.gz XWWPOWWHHBIWNI-NTEUORMPSA-N 1 0 328.362 4.353 20 30 EIEDRO COc1ccc([C@H](CCC#N)[NH2+]Cc2ccccc2-n2cccn2)cc1 ZINC000377080305 1023364976 /nfs/dbraw/zinc/36/49/76/1023364976.db2.gz UJVSCOUZQKWEFL-FQEVSTJZSA-N 1 0 346.434 4.016 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000181535032 1023383477 /nfs/dbraw/zinc/38/34/77/1023383477.db2.gz BBKNTMBUPRCJAP-MRXNPFEDSA-N 1 0 337.442 4.013 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000549172497 1023417463 /nfs/dbraw/zinc/41/74/63/1023417463.db2.gz GIPPSOIYVUHRBP-CQSZACIVSA-N 1 0 344.336 4.159 20 30 EIEDRO C=CCNC(=O)C[N@H+](Cc1ccc(-c2ccccc2F)s1)C(C)C ZINC000064988306 1023450081 /nfs/dbraw/zinc/45/00/81/1023450081.db2.gz FSCVDMJQHFWWGH-UHFFFAOYSA-N 1 0 346.471 4.067 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H]1CCCCO1 ZINC000472752438 1023502257 /nfs/dbraw/zinc/50/22/57/1023502257.db2.gz PNRQROKEMWYWOW-JOCHJYFZSA-N 1 0 348.490 4.387 20 30 EIEDRO C=CCC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472757318 1023508996 /nfs/dbraw/zinc/50/89/96/1023508996.db2.gz XOQHLGFNYZHSEC-NRFANRHFSA-N 1 0 338.426 4.027 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2COCc3ccccc32)ccc1OC ZINC000418095618 1023531383 /nfs/dbraw/zinc/53/13/83/1023531383.db2.gz GYYRAMXDAJIVSI-IBGZPJMESA-N 1 0 339.435 4.011 20 30 EIEDRO COc1cccc(C2(F)CC[NH+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000500149871 1023541641 /nfs/dbraw/zinc/54/16/41/1023541641.db2.gz BXUJTXFVHCMMJC-UHFFFAOYSA-N 1 0 341.401 4.147 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccco1 ZINC000276443337 1023542433 /nfs/dbraw/zinc/54/24/33/1023542433.db2.gz KNRCBTRWNPPVHS-IBGZPJMESA-N 1 0 338.451 4.199 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000418138344 1023554406 /nfs/dbraw/zinc/55/44/06/1023554406.db2.gz CSIDPNDCXLTLIG-IBGZPJMESA-N 1 0 346.459 4.244 20 30 EIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC2(C3CCOCC3)CC2)cc1 ZINC001167748529 1023572426 /nfs/dbraw/zinc/57/24/26/1023572426.db2.gz KURSLWRGNADABB-HXUWFJFHSA-N 1 0 326.484 4.381 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccco1 ZINC000276503898 1023609941 /nfs/dbraw/zinc/60/99/41/1023609941.db2.gz XQJIIERRXOEREK-PXNSSMCTSA-N 1 0 339.483 4.497 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnc(CC(C)C)s2)c1 ZINC000162612055 1023612631 /nfs/dbraw/zinc/61/26/31/1023612631.db2.gz GBYJQRRAUSZYSB-INIZCTEOSA-N 1 0 343.496 4.312 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)Cc2ccccc2F)c1 ZINC000783253242 1023694144 /nfs/dbraw/zinc/69/41/44/1023694144.db2.gz ZUKGKYDSUISNJS-YJBOKZPZSA-N 1 0 326.415 4.227 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415577099 1023701005 /nfs/dbraw/zinc/70/10/05/1023701005.db2.gz GXFABKMMSQJLGH-KRWDZBQOSA-N 1 0 329.488 4.192 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000415580557 1023705365 /nfs/dbraw/zinc/70/53/65/1023705365.db2.gz LZPXJMIXGQNQNR-NRFANRHFSA-N 1 0 341.499 4.146 20 30 EIEDRO CCOC(=O)C1([N@H+](C)Cc2ccccc2C(C)(C)C#N)CCCCC1 ZINC001167759703 1023730972 /nfs/dbraw/zinc/73/09/72/1023730972.db2.gz LLUBIQHLKFWEOQ-UHFFFAOYSA-N 1 0 342.483 4.186 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000162703585 1023733017 /nfs/dbraw/zinc/73/30/17/1023733017.db2.gz YJSVXGNUHLTUSM-GOSISDBHSA-N 1 0 325.481 4.435 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)c1 ZINC000462868372 1023759628 /nfs/dbraw/zinc/75/96/28/1023759628.db2.gz YZOWDSLSFIYELX-SAABIXHNSA-N 1 0 341.252 4.357 20 30 EIEDRO N#Cc1ccc(OC2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc1 ZINC000500405503 1023801333 /nfs/dbraw/zinc/80/13/33/1023801333.db2.gz CBICOUCYSZFROI-UHFFFAOYSA-N 1 0 347.393 4.293 20 30 EIEDRO CCN(Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000511669254 1023828662 /nfs/dbraw/zinc/82/86/62/1023828662.db2.gz XIRFCCWZFOGPLX-XMSQKQJNSA-N 1 0 333.479 4.216 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511799192 1023890577 /nfs/dbraw/zinc/89/05/77/1023890577.db2.gz FSFDEABOGLUBQT-COXVUDFISA-N 1 0 335.373 4.375 20 30 EIEDRO N#Cc1ccc(OCC[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000341584253 1023891357 /nfs/dbraw/zinc/89/13/57/1023891357.db2.gz IUVWURFJNNHWAG-KRWDZBQOSA-N 1 0 334.341 4.220 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511805569 1023895558 /nfs/dbraw/zinc/89/55/58/1023895558.db2.gz GQTSWIDDVHCINO-BBWFWOEESA-N 1 0 327.390 4.258 20 30 EIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000157899297 1023898248 /nfs/dbraw/zinc/89/82/48/1023898248.db2.gz IILWRUZVIWQKLT-CQSZACIVSA-N 1 0 329.875 4.302 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000128498206 1023898310 /nfs/dbraw/zinc/89/83/10/1023898310.db2.gz HFDYALPNRUUUAU-HNNXBMFYSA-N 1 0 327.424 4.119 20 30 EIEDRO COc1cccc(C[C@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000566887532 1023901940 /nfs/dbraw/zinc/90/19/40/1023901940.db2.gz VCQRVBZULUXYSO-ZDUSSCGKSA-N 1 0 348.368 4.306 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000661379096 1024083445 /nfs/dbraw/zinc/08/34/45/1024083445.db2.gz STGFPZBFJZFPDL-UONOGXRCSA-N 1 0 340.389 4.321 20 30 EIEDRO Cc1cc(Br)c(C[NH2+]C2CCC(C)(C#N)CC2)s1 ZINC000594977325 1024177199 /nfs/dbraw/zinc/17/71/99/1024177199.db2.gz KCNVYQYUZAIYSX-UHFFFAOYSA-N 1 0 327.291 4.381 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000661117150 1024249814 /nfs/dbraw/zinc/24/98/14/1024249814.db2.gz PESBYPPDWZIAPS-ZFWWWQNUSA-N 1 0 337.423 4.306 20 30 EIEDRO C=CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC001137721480 1024286514 /nfs/dbraw/zinc/28/65/14/1024286514.db2.gz CLCDPICGDCMUOC-JKSUJKDBSA-N 1 0 342.405 4.169 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000487359090 1024335802 /nfs/dbraw/zinc/33/58/02/1024335802.db2.gz DIUTWDXOHGJCFQ-NSHGMRRFSA-N 1 0 339.527 4.325 20 30 EIEDRO Cc1occc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905417 1024386611 /nfs/dbraw/zinc/38/66/11/1024386611.db2.gz NVWWDERNPPNAQR-UHFFFAOYSA-N 1 0 332.403 4.329 20 30 EIEDRO C=CCC1([NH2+]Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CCCC1 ZINC000661864136 1024612530 /nfs/dbraw/zinc/61/25/30/1024612530.db2.gz MUJUHKJNZHDZNI-UHFFFAOYSA-N 1 0 337.345 4.132 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341758432 1024617219 /nfs/dbraw/zinc/61/72/19/1024617219.db2.gz PJOLCFNEMLVTRR-UXHICEINSA-N 1 0 348.446 4.448 20 30 EIEDRO C=CCn1c(SCC[C@H]2CCC[N@H+]2C)nnc1-c1cccc(C)c1 ZINC000432239492 1024707044 /nfs/dbraw/zinc/70/70/44/1024707044.db2.gz DJCJHYXZUURUSV-QGZVFWFLSA-N 1 0 342.512 4.016 20 30 EIEDRO CC(C)c1ccc([C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)C(C)C)cc1 ZINC000510923213 1024824730 /nfs/dbraw/zinc/82/47/30/1024824730.db2.gz XAALQDHTKBUWEX-SFTDATJTSA-N 1 0 343.515 4.151 20 30 EIEDRO C[N@H+](CCOc1ccccc1F)Cc1ccccc1C(C)(C)C#N ZINC000487375330 1024841102 /nfs/dbraw/zinc/84/11/02/1024841102.db2.gz JQUDEKZAAHWMHL-UHFFFAOYSA-N 1 0 326.415 4.138 20 30 EIEDRO N#Cc1ccc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(F)c1 ZINC000535684864 1024883735 /nfs/dbraw/zinc/88/37/35/1024883735.db2.gz BZVRLRZJERIFSA-UHFFFAOYSA-N 1 0 349.453 4.190 20 30 EIEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000610859512 1025071952 /nfs/dbraw/zinc/07/19/52/1025071952.db2.gz DVCLUKYUTZATHJ-NRFANRHFSA-N 1 0 347.506 4.194 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610859456 1025072759 /nfs/dbraw/zinc/07/27/59/1025072759.db2.gz NOPNHCIDSZKCOD-NRFANRHFSA-N 1 0 334.463 4.451 20 30 EIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000610953427 1025163270 /nfs/dbraw/zinc/16/32/70/1025163270.db2.gz IWNSQKNGTLIUTG-UHFFFAOYSA-N 1 0 342.389 4.225 20 30 EIEDRO Cc1cccc(C([NH2+]Cc2ccnc(C#N)c2)c2cccc(C)c2)c1 ZINC000610956804 1025167953 /nfs/dbraw/zinc/16/79/53/1025167953.db2.gz JAKHDSUBPFNDBS-UHFFFAOYSA-N 1 0 327.431 4.449 20 30 EIEDRO COc1cccc(C2([NH2+]Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000150903424 1025233684 /nfs/dbraw/zinc/23/36/84/1025233684.db2.gz XJXILLGZFUWZPP-UHFFFAOYSA-N 1 0 336.435 4.157 20 30 EIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000610998936 1025253476 /nfs/dbraw/zinc/25/34/76/1025253476.db2.gz VXWTUECUSDAQRE-PGRDOPGGSA-N 1 0 344.462 4.464 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(OC(F)F)c1 ZINC000065235132 1025258424 /nfs/dbraw/zinc/25/84/24/1025258424.db2.gz RQDNNRATMBFAJZ-UHFFFAOYSA-N 1 0 333.378 4.485 20 30 EIEDRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446626 1025266486 /nfs/dbraw/zinc/26/64/86/1025266486.db2.gz SITMUOUTDZZSOO-HUBLWGQQSA-N 1 0 339.252 4.191 20 30 EIEDRO C=CCOCC[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000549824240 1033273060 /nfs/dbraw/zinc/27/30/60/1033273060.db2.gz JXWKXMRECSIUKR-CQSZACIVSA-N 1 0 342.302 4.120 20 30 EIEDRO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cccc(C#N)c1 ZINC000181916583 1025356655 /nfs/dbraw/zinc/35/66/55/1025356655.db2.gz LLOTWYBVNLZIAU-CQSZACIVSA-N 1 0 335.382 4.246 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1Br)CC2 ZINC000562081734 1025414197 /nfs/dbraw/zinc/41/41/97/1025414197.db2.gz RTLHQPRULQIIBR-KRWDZBQOSA-N 1 0 327.225 4.098 20 30 EIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)s2)[C@@H](C)C2CC2)cc1 ZINC000506725634 1025487878 /nfs/dbraw/zinc/48/78/78/1025487878.db2.gz IBFJXIZJJXXZOO-AWEZNQCLSA-N 1 0 326.465 4.429 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1OCCC(C)C ZINC000066971912 1025620264 /nfs/dbraw/zinc/62/02/64/1025620264.db2.gz IRIMDEARRNITQF-UHFFFAOYSA-N 1 0 338.451 4.282 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000519230868 1025623219 /nfs/dbraw/zinc/62/32/19/1025623219.db2.gz SNJGSCOHRKNHBC-UHFFFAOYSA-N 1 0 339.483 4.140 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719660 1025803086 /nfs/dbraw/zinc/80/30/86/1025803086.db2.gz ICIYTZZVTHWMDJ-UWVAXJGDSA-N 1 0 345.918 4.491 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000342307721 1025821624 /nfs/dbraw/zinc/82/16/24/1025821624.db2.gz RVTOYPMPTGKZCP-UHFFFAOYSA-N 1 0 327.384 4.274 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cscc2C#N)cc1 ZINC000432400099 1025864671 /nfs/dbraw/zinc/86/46/71/1025864671.db2.gz JMYLDYJHSCYXCQ-AWEZNQCLSA-N 1 0 339.464 4.246 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1)C1CC1 ZINC000512074866 1025887483 /nfs/dbraw/zinc/88/74/83/1025887483.db2.gz HOGYZNNAQVAGOJ-UHFFFAOYSA-N 1 0 333.435 4.103 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000119730684 1025988785 /nfs/dbraw/zinc/98/87/85/1025988785.db2.gz DNDTVSDCFXIUBL-OAHLLOKOSA-N 1 0 334.891 4.095 20 30 EIEDRO Cc1ccccc1C1CC([N@H+](C[C@H](O)c2ccc(C#N)cc2)C2CC2)C1 ZINC001167539395 1025997457 /nfs/dbraw/zinc/99/74/57/1025997457.db2.gz MGCUMHYUFXYHTO-IRSIHTCSSA-N 1 0 346.474 4.311 20 30 EIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C12CCCCC2 ZINC001167540273 1025998410 /nfs/dbraw/zinc/99/84/10/1025998410.db2.gz YDEWVGKERTUBIR-MOPGFXCFSA-N 1 0 330.447 4.257 20 30 EIEDRO COCC#CC[N@H+](Cc1ccc(-c2ccccc2OC)cc1)C(C)C ZINC001167543594 1026032203 /nfs/dbraw/zinc/03/22/03/1026032203.db2.gz COZFBOUPVMGLAB-UHFFFAOYSA-N 1 0 337.463 4.222 20 30 EIEDRO N#Cc1ccc(-c2cc(NCCc3ccccn3)cc[nH+]2)cc1Cl ZINC000585818505 1026046167 /nfs/dbraw/zinc/04/61/67/1026046167.db2.gz GLKLRMMUJGGWCY-UHFFFAOYSA-N 1 0 334.810 4.323 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(Br)c2)ccc1C#N ZINC000234938425 1026136865 /nfs/dbraw/zinc/13/68/65/1026136865.db2.gz DFMDIBIZSHGBOQ-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO Cc1cccnc1[C@H]([NH2+]CCCC1(C#N)CCOCC1)C(C)(C)C ZINC000934290144 1026165146 /nfs/dbraw/zinc/16/51/46/1026165146.db2.gz WLOCBHHTKVQXHW-SFHVURJKSA-N 1 0 329.488 4.167 20 30 EIEDRO Cc1ccc([C@@H]2CSCC[N@@H+]2CCOc2ccccc2C#N)cc1 ZINC000303673185 1026183169 /nfs/dbraw/zinc/18/31/69/1026183169.db2.gz PQGNOHJDKQFEIU-IBGZPJMESA-N 1 0 338.476 4.036 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(-c3scnc3C)cc2)CC1 ZINC000657352184 1026226392 /nfs/dbraw/zinc/22/63/92/1026226392.db2.gz DIXRWNRYMSWMIW-UHFFFAOYSA-N 1 0 341.524 4.249 20 30 EIEDRO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c(C)cc(C#N)cc1C)CCC2 ZINC001167859440 1026294287 /nfs/dbraw/zinc/29/42/87/1026294287.db2.gz ICIBNJDXHVODHU-GOSISDBHSA-N 1 0 325.481 4.449 20 30 EIEDRO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000543557721 1026295840 /nfs/dbraw/zinc/29/58/40/1026295840.db2.gz GNFXZUGPBLPWFH-VQTJNVASSA-N 1 0 342.389 4.189 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)s1 ZINC000348867886 1026298071 /nfs/dbraw/zinc/29/80/71/1026298071.db2.gz JHXRYEJWGYPUHM-UHFFFAOYSA-N 1 0 330.428 4.111 20 30 EIEDRO C#Cc1cccc(N(CC)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000728480742 1026323557 /nfs/dbraw/zinc/32/35/57/1026323557.db2.gz IVOJVRBFKOGKEU-UHFFFAOYSA-N 1 0 346.474 4.321 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cs1 ZINC000892224425 1026354077 /nfs/dbraw/zinc/35/40/77/1026354077.db2.gz DMNMXCMEYHBCFF-NVXWUHKLSA-N 1 0 330.453 4.081 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1cccc(N2CCCC2)c1 ZINC000540477633 1026392761 /nfs/dbraw/zinc/39/27/61/1026392761.db2.gz TYTNLGMVCCFAKP-GOSISDBHSA-N 1 0 349.478 4.278 20 30 EIEDRO C=CC[N@H+](CCC(=O)Nc1sccc1C#N)CC1CCCCC1 ZINC000112202289 1026394876 /nfs/dbraw/zinc/39/48/76/1026394876.db2.gz HBSWWQSEAQMGNK-UHFFFAOYSA-N 1 0 331.485 4.017 20 30 EIEDRO CCCC[NH+](CCCC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279411095 1026419609 /nfs/dbraw/zinc/41/96/09/1026419609.db2.gz NUYNAEVNQCZWIQ-UHFFFAOYSA-N 1 0 339.487 4.261 20 30 EIEDRO CCCCCCC[N@H+](C)C1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC001167873742 1026424355 /nfs/dbraw/zinc/42/43/55/1026424355.db2.gz HQMGECSYVWLGBE-UHFFFAOYSA-N 1 0 346.515 4.202 20 30 EIEDRO Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000582330502 1026460146 /nfs/dbraw/zinc/46/01/46/1026460146.db2.gz VBMCCYUEBXYQKN-KRWDZBQOSA-N 1 0 328.362 4.245 20 30 EIEDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000158147923 1026525025 /nfs/dbraw/zinc/52/50/25/1026525025.db2.gz WPLGHCKXAROVOI-GOSISDBHSA-N 1 0 338.455 4.399 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000478297452 1026536927 /nfs/dbraw/zinc/53/69/27/1026536927.db2.gz AOHJKDHYZSEEJT-WOJBJXKFSA-N 1 0 334.467 4.017 20 30 EIEDRO C[C@H]([NH2+]C1(CCOCc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512284069 1026647347 /nfs/dbraw/zinc/64/73/47/1026647347.db2.gz WTMHYZSYAKIRLW-INIZCTEOSA-N 1 0 338.426 4.487 20 30 EIEDRO CCC1(C)CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000507210818 1026701218 /nfs/dbraw/zinc/70/12/18/1026701218.db2.gz TXGCVUULFRQPFT-UHFFFAOYSA-N 1 0 333.863 4.052 20 30 EIEDRO C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000507209356 1026701761 /nfs/dbraw/zinc/70/17/61/1026701761.db2.gz HEMAICVNTIHCFM-UHFFFAOYSA-N 1 0 336.826 4.234 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)cc1 ZINC000657460785 1026790104 /nfs/dbraw/zinc/79/01/04/1026790104.db2.gz LNSCUJAIRWHNGU-UHFFFAOYSA-N 1 0 327.399 4.222 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000512359518 1026803837 /nfs/dbraw/zinc/80/38/37/1026803837.db2.gz HTVINJQVOSCNEH-SCRDCRAPSA-N 1 0 344.318 4.451 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C12CCC2 ZINC000507607830 1026852690 /nfs/dbraw/zinc/85/26/90/1026852690.db2.gz VCAUOQBQKOHUAR-RKDVLTNBSA-N 1 0 338.495 4.328 20 30 EIEDRO COc1cc(C)ccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507615807 1026855661 /nfs/dbraw/zinc/85/56/61/1026855661.db2.gz INFPPSBIOJVLRJ-UHFFFAOYSA-N 1 0 334.463 4.497 20 30 EIEDRO CCCOc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC000507638995 1026857917 /nfs/dbraw/zinc/85/79/17/1026857917.db2.gz VMYDUPZXOAZDRI-UHFFFAOYSA-N 1 0 349.478 4.364 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000507639885 1026858199 /nfs/dbraw/zinc/85/81/99/1026858199.db2.gz YBEDDCPOGTZFCW-LVKMRUPZSA-N 1 0 332.447 4.373 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000507636242 1026860724 /nfs/dbraw/zinc/86/07/24/1026860724.db2.gz MPJRPAODYZHXAJ-XQQGARBVSA-N 1 0 348.446 4.470 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCOC2CCCC2)CC1 ZINC000507654058 1026862208 /nfs/dbraw/zinc/86/22/08/1026862208.db2.gz QPOPHZISVUDKRC-UHFFFAOYSA-N 1 0 326.484 4.329 20 30 EIEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCC[C@H](C)C1 ZINC000507654477 1026862867 /nfs/dbraw/zinc/86/28/67/1026862867.db2.gz UJOPDWMARNFMEH-LAXGTINGSA-N 1 0 339.527 4.101 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCOc2ccccc2)CC1 ZINC000507643215 1026864423 /nfs/dbraw/zinc/86/44/23/1026864423.db2.gz GSGFUWDWDKTOFY-UHFFFAOYSA-N 1 0 334.463 4.449 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)CC1 ZINC000152996421 1026873980 /nfs/dbraw/zinc/87/39/80/1026873980.db2.gz GSYGKOFVUQTZSR-HZPDHXFCSA-N 1 0 343.540 4.418 20 30 EIEDRO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1OCCC(C)C ZINC000507713242 1026885321 /nfs/dbraw/zinc/88/53/21/1026885321.db2.gz IHASYHCLLSGWOO-UHFFFAOYSA-N 1 0 330.472 4.246 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1F)c1ccccc1 ZINC000511177101 1026886767 /nfs/dbraw/zinc/88/67/67/1026886767.db2.gz VDQUQSHRXUNZQB-IBGZPJMESA-N 1 0 327.399 4.409 20 30 EIEDRO CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(C#N)cc1)O[C@H](C)C2 ZINC000128062388 1026915813 /nfs/dbraw/zinc/91/58/13/1026915813.db2.gz NWGMJULEWXHBQW-HUUCEWRRSA-N 1 0 336.435 4.131 20 30 EIEDRO C=C(C)CN(CC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000611686680 1026917087 /nfs/dbraw/zinc/91/70/87/1026917087.db2.gz PJMROLHLCUMWKJ-SFHVURJKSA-N 1 0 349.906 4.085 20 30 EIEDRO CC[C@H](C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075618218 1027052008 /nfs/dbraw/zinc/05/20/08/1027052008.db2.gz MXSKSURFQVWLOT-INIZCTEOSA-N 1 0 346.434 4.409 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000178643389 1027059016 /nfs/dbraw/zinc/05/90/16/1027059016.db2.gz VXOAILSOWRSKJB-HOTGVXAUSA-N 1 0 333.435 4.097 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000342813718 1027108189 /nfs/dbraw/zinc/10/81/89/1027108189.db2.gz JVBCRVXOTPGEML-QGZVFWFLSA-N 1 0 343.377 4.112 20 30 EIEDRO CC(C)(C)c1cc(Nc2c(C#N)cnnc2-c2ccccc2)cc[nH+]1 ZINC001213163984 1027149679 /nfs/dbraw/zinc/14/96/79/1027149679.db2.gz FIIZXSDIUBSQLY-UHFFFAOYSA-N 1 0 329.407 4.451 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000342830582 1027204270 /nfs/dbraw/zinc/20/42/70/1027204270.db2.gz XEHRNQGHMNZBGR-MRXNPFEDSA-N 1 0 345.446 4.025 20 30 EIEDRO C=CCCCC[N@@H+](C)Cc1cc(I)cs1 ZINC001141866849 1027209917 /nfs/dbraw/zinc/20/99/17/1027209917.db2.gz WEWZCMYLVWUUSO-UHFFFAOYSA-N 1 0 335.254 4.141 20 30 EIEDRO C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C#N)cc1 ZINC000237480281 1027244753 /nfs/dbraw/zinc/24/47/53/1027244753.db2.gz AGDZWGNSOPITCU-ZDUSSCGKSA-N 1 0 334.341 4.134 20 30 EIEDRO C[N@@H+]1CCC[C@H](CNc2cccc(F)c2C#N)[C@@H]1c1cccs1 ZINC000078338439 1027322287 /nfs/dbraw/zinc/32/22/87/1027322287.db2.gz RGMYDAWWHOFBIH-FZKQIMNGSA-N 1 0 329.444 4.254 20 30 EIEDRO C[N@@H+]1CCC[C@H](CNc2ncc(C#N)cc2Cl)[C@@H]1c1cccs1 ZINC000078338076 1027322586 /nfs/dbraw/zinc/32/25/86/1027322586.db2.gz NIOGMOUBBWHYAO-CZUORRHYSA-N 1 0 346.887 4.163 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(OC)c(O[C@H](C)CC)c2)CCOCC1 ZINC000657632898 1027345360 /nfs/dbraw/zinc/34/53/60/1027345360.db2.gz BGZNSUHPKYYPHK-MRXNPFEDSA-N 1 0 333.472 4.087 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(OC)c(OCCC(C)C)c2)CCOCC1 ZINC000657633569 1027346020 /nfs/dbraw/zinc/34/60/20/1027346020.db2.gz QKDCMONSCOPKDC-UHFFFAOYSA-N 1 0 347.499 4.335 20 30 EIEDRO C=CCC1([NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)CCOCC1 ZINC000657633618 1027351971 /nfs/dbraw/zinc/35/19/71/1027351971.db2.gz SOMKAQBBVGSYQN-UHFFFAOYSA-N 1 0 345.874 4.049 20 30 EIEDRO N#Cc1cccnc1NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000520268792 1027380353 /nfs/dbraw/zinc/38/03/53/1027380353.db2.gz CYBHWJZBECPNRB-UHFFFAOYSA-N 1 0 348.494 4.100 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)c1 ZINC000475498418 1027474392 /nfs/dbraw/zinc/47/43/92/1027474392.db2.gz OMOGLMBUIJZMDW-ZDUSSCGKSA-N 1 0 347.256 4.260 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC[C@@]2(C)CC2(F)F)ccc1OC ZINC000657670586 1027488702 /nfs/dbraw/zinc/48/87/02/1027488702.db2.gz HPBZTDHPBWFVRQ-KRWDZBQOSA-N 1 0 325.399 4.175 20 30 EIEDRO COc1cc(C[NH2+]C2CC(c3ccc(F)c(Cl)c3)C2)ccc1C#N ZINC000441386300 1027510613 /nfs/dbraw/zinc/51/06/13/1027510613.db2.gz ORJNDPCVFOLZSF-UHFFFAOYSA-N 1 0 344.817 4.395 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000186597948 1027605556 /nfs/dbraw/zinc/60/55/56/1027605556.db2.gz IDEBOKPCUWHBHH-GOSISDBHSA-N 1 0 334.463 4.343 20 30 EIEDRO Cn1nccc1[C@H]1[C@H](CNC(=O)C2(C)CCCCCC2)CCC[N@@H+]1C ZINC000329192650 1027637786 /nfs/dbraw/zinc/63/77/86/1027637786.db2.gz QZZWRVZLNYEVJB-FUHWJXTLSA-N 1 0 346.519 4.120 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(CCOCc3ccccc3)CC2)c1 ZINC000185714531 1027677863 /nfs/dbraw/zinc/67/78/63/1027677863.db2.gz KIKWJVUIDDNDJX-UHFFFAOYSA-N 1 0 326.465 4.096 20 30 EIEDRO N#C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@@]12c1ccccc1NC2=O ZINC000328684216 1027796141 /nfs/dbraw/zinc/79/61/41/1027796141.db2.gz PONXAOYSMQMWKZ-BUVFEPMLSA-N 1 0 343.430 4.059 20 30 EIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428307487 1027897552 /nfs/dbraw/zinc/89/75/52/1027897552.db2.gz VBBBBXLSARJUOA-KRWDZBQOSA-N 1 0 348.425 4.020 20 30 EIEDRO COc1ccc(C[N@@H+]2CC[C@H](CC(C)C)C2)cc1OCCCC#N ZINC000353590419 1027910681 /nfs/dbraw/zinc/91/06/81/1027910681.db2.gz FMZRWHVKMVPLNT-GOSISDBHSA-N 1 0 330.472 4.246 20 30 EIEDRO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCCCC(C)(C)C#N)cn1 ZINC000444647800 1027916484 /nfs/dbraw/zinc/91/64/84/1027916484.db2.gz FUUHPBXYAHHQPM-IBGZPJMESA-N 1 0 342.462 4.300 20 30 EIEDRO CC(C)C[C@@H](C)n1nccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000331134503 1027925815 /nfs/dbraw/zinc/92/58/15/1027925815.db2.gz RJAGOTNJIVHEJY-OAHLLOKOSA-N 1 0 349.523 4.079 20 30 EIEDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444660648 1027930460 /nfs/dbraw/zinc/93/04/60/1027930460.db2.gz KADUHJNXDPNTFL-DENIHFKCSA-N 1 0 348.490 4.122 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)cc(OC)c1OC ZINC000444686543 1027945357 /nfs/dbraw/zinc/94/53/57/1027945357.db2.gz DESLTRBJUZGUOC-CQSZACIVSA-N 1 0 334.460 4.083 20 30 EIEDRO C[C@]1(CO)CCC[C@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444686004 1027945679 /nfs/dbraw/zinc/94/56/79/1027945679.db2.gz QPNVQOGLEXWLET-FGZHOGPDSA-N 1 0 348.490 4.027 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc2ccccc2n1C(F)F ZINC000444663784 1027947675 /nfs/dbraw/zinc/94/76/75/1027947675.db2.gz LHQQZRUGVFBNDX-CYBMUJFWSA-N 1 0 340.377 4.348 20 30 EIEDRO CC[C@]1(CO)CCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444673256 1027957836 /nfs/dbraw/zinc/95/78/36/1027957836.db2.gz HMEHAAFLMUAYMH-JOCHJYFZSA-N 1 0 348.490 4.123 20 30 EIEDRO CC(C)(C#N)CCCC[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000444689536 1027975063 /nfs/dbraw/zinc/97/50/63/1027975063.db2.gz NYUWHRXFMFASAE-UHFFFAOYSA-N 1 0 340.467 4.267 20 30 EIEDRO COC(=O)CC1(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000440524706 1028005078 /nfs/dbraw/zinc/00/50/78/1028005078.db2.gz FUDMTSSDNAWUEA-MRXNPFEDSA-N 1 0 348.446 4.219 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(CC#N)cc2)C(C)C)c(F)c1 ZINC000583143625 1028075119 /nfs/dbraw/zinc/07/51/19/1028075119.db2.gz BYGHFOGDYJPRBJ-FQEVSTJZSA-N 1 0 326.415 4.387 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000278104920 1028118571 /nfs/dbraw/zinc/11/85/71/1028118571.db2.gz KQNKKROOUYHORD-UHFFFAOYSA-N 1 0 327.472 4.057 20 30 EIEDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)CC1 ZINC000329872842 1028144684 /nfs/dbraw/zinc/14/46/84/1028144684.db2.gz BSXPXMPWZKAZKW-MRLCAUJQSA-N 1 0 349.519 4.328 20 30 EIEDRO C[NH+](C)Cc1cccc(NC(=O)C2CCC(NC(=O)C3CC3)CC2)c1 ZINC000329949505 1028162947 /nfs/dbraw/zinc/16/29/47/1028162947.db2.gz HKOWKQUYPOSZCY-UHFFFAOYSA-N 1 0 343.471 4.262 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@](C)(CO)C2CCCCC2)ccc1OC ZINC000523519439 1028173865 /nfs/dbraw/zinc/17/38/65/1028173865.db2.gz JYKWWHWEDVFGSM-OAQYLSRUSA-N 1 0 347.499 4.071 20 30 EIEDRO C=C1CC(c2noc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)C1 ZINC000896885518 1028177597 /nfs/dbraw/zinc/17/75/97/1028177597.db2.gz ZKMVUSNHQNGTPU-HNNXBMFYSA-N 1 0 327.403 4.022 20 30 EIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000154472930 1028225709 /nfs/dbraw/zinc/22/57/09/1028225709.db2.gz WZNZAFSXRWIERT-UHFFFAOYSA-N 1 0 330.435 4.096 20 30 EIEDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000440623593 1028231722 /nfs/dbraw/zinc/23/17/22/1028231722.db2.gz HGEWANSCNZXUFZ-SWLSCSKDSA-N 1 0 326.362 4.025 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000346099112 1028255616 /nfs/dbraw/zinc/25/56/16/1028255616.db2.gz MPLPRFFUTMTKQP-GOSISDBHSA-N 1 0 334.891 4.184 20 30 EIEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000330290734 1028269152 /nfs/dbraw/zinc/26/91/52/1028269152.db2.gz GBWMREVCFCMYCA-KRWDZBQOSA-N 1 0 343.471 4.056 20 30 EIEDRO C=CC[C@H]1N(C(=O)Nc2ccccc2CC[NH+](C)C)CCCC1(C)C ZINC000445160077 1028343423 /nfs/dbraw/zinc/34/34/23/1028343423.db2.gz HDMHMKHJRUUFST-LJQANCHMSA-N 1 0 343.515 4.389 20 30 EIEDRO CCC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000546572730 1028395629 /nfs/dbraw/zinc/39/56/29/1028395629.db2.gz MPCHLYCMROXKMG-UHFFFAOYSA-N 1 0 339.527 4.473 20 30 EIEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000346378227 1028410343 /nfs/dbraw/zinc/41/03/43/1028410343.db2.gz XYDBZSWVJVGNRM-IBGZPJMESA-N 1 0 336.483 4.332 20 30 EIEDRO CCC(CC)[N@H+](CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000583286541 1028423928 /nfs/dbraw/zinc/42/39/28/1028423928.db2.gz UPLHTFTWHMJGCU-HNNXBMFYSA-N 1 0 347.528 4.387 20 30 EIEDRO C=CCCCC[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000583297414 1028462033 /nfs/dbraw/zinc/46/20/33/1028462033.db2.gz SJTIIJLEMGZMAS-FQEVSTJZSA-N 1 0 343.492 4.125 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000524148140 1028709042 /nfs/dbraw/zinc/70/90/42/1028709042.db2.gz GKZMFWPYJQRSKS-QUCCMNQESA-N 1 0 343.515 4.210 20 30 EIEDRO Cc1cc(CNc2ccccc2C[NH+]2CCSCC2)ccc1C#N ZINC000444004716 1028727373 /nfs/dbraw/zinc/72/73/73/1028727373.db2.gz SIVMKISMULFCNE-UHFFFAOYSA-N 1 0 337.492 4.028 20 30 EIEDRO COc1cc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)ccc1C#N ZINC000440807858 1028735207 /nfs/dbraw/zinc/73/52/07/1028735207.db2.gz PEUHONVXGTWNGQ-MRXNPFEDSA-N 1 0 334.341 4.350 20 30 EIEDRO COc1cc(C[NH2+]CCCCOc2ccc(Cl)cc2)ccc1C#N ZINC000440808602 1028735736 /nfs/dbraw/zinc/73/57/36/1028735736.db2.gz QQAFRNZQLRYMGU-UHFFFAOYSA-N 1 0 344.842 4.169 20 30 EIEDRO CCOc1c(Cl)cc(C[NH2+]CC2CCC(C#N)CC2)cc1OC ZINC000281581720 1028791250 /nfs/dbraw/zinc/79/12/50/1028791250.db2.gz DGOZFPXJELEWLQ-UHFFFAOYSA-N 1 0 336.863 4.167 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000281717923 1028844732 /nfs/dbraw/zinc/84/47/32/1028844732.db2.gz PAQXGGZNSPQCIF-UHFFFAOYSA-N 1 0 335.451 4.080 20 30 EIEDRO CC(C)C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000444110018 1028908444 /nfs/dbraw/zinc/90/84/44/1028908444.db2.gz FGHMLURMRRAECR-UHFFFAOYSA-N 1 0 335.451 4.045 20 30 EIEDRO N#CC1(CCC[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCOCC1 ZINC000281912150 1028950170 /nfs/dbraw/zinc/95/01/70/1028950170.db2.gz GNKWQNUBJCQWKH-QGZVFWFLSA-N 1 0 332.875 4.230 20 30 EIEDRO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000281921454 1028963148 /nfs/dbraw/zinc/96/31/48/1028963148.db2.gz HGCXPCZUSNKRRF-APWZRJJASA-N 1 0 330.447 4.309 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)c2cc(C)c(-c3ccccc3)s2)CC1 ZINC000583639589 1028986291 /nfs/dbraw/zinc/98/62/91/1028986291.db2.gz LEHOJNOFTYAIPZ-UHFFFAOYSA-N 1 0 340.492 4.104 20 30 EIEDRO N#CCc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000536093814 1028994923 /nfs/dbraw/zinc/99/49/23/1028994923.db2.gz BWICCBMQZYOSOE-UHFFFAOYSA-N 1 0 347.462 4.381 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCCc2ccc(O)cc2)cc1Cl ZINC000522840356 1028998380 /nfs/dbraw/zinc/99/83/80/1028998380.db2.gz HBRAECIXESYYMY-UHFFFAOYSA-N 1 0 331.843 4.333 20 30 EIEDRO N#Cc1cccc(C2([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000278365499 1029013776 /nfs/dbraw/zinc/01/37/76/1029013776.db2.gz BRTZDWDUIJSMCY-IBGZPJMESA-N 1 0 333.391 4.123 20 30 EIEDRO C=CC(C)(C)C[NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000926519942 1029029615 /nfs/dbraw/zinc/02/96/15/1029029615.db2.gz IKDDCNBSQJNGMR-MRXNPFEDSA-N 1 0 349.519 4.108 20 30 EIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000444240197 1029102249 /nfs/dbraw/zinc/10/22/49/1029102249.db2.gz LQLYGVIIDGXTLN-OAQYLSRUSA-N 1 0 349.478 4.148 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000444254834 1029117456 /nfs/dbraw/zinc/11/74/56/1029117456.db2.gz VKJHBTBTZWMSKK-SFHVURJKSA-N 1 0 337.423 4.097 20 30 EIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157719560 1029187165 /nfs/dbraw/zinc/18/71/65/1029187165.db2.gz JSKVPEBXVFYCPV-CABCVRRESA-N 1 0 338.442 4.447 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)CCC#N)cc1Cl ZINC000583804239 1029200644 /nfs/dbraw/zinc/20/06/44/1029200644.db2.gz VYHYLLYMCVUNRW-AWEZNQCLSA-N 1 0 335.879 4.285 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2Cc3ccccc3C2)c(C(F)(F)F)c1 ZINC000583841806 1029261930 /nfs/dbraw/zinc/26/19/30/1029261930.db2.gz LNNWIWKYEDUGCB-UHFFFAOYSA-N 1 0 330.353 4.082 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000158160972 1029354128 /nfs/dbraw/zinc/35/41/28/1029354128.db2.gz CPVXEPNUSHFZGU-LRQRDZAKSA-N 1 0 336.435 4.160 20 30 EIEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168058790 1029376924 /nfs/dbraw/zinc/37/69/24/1029376924.db2.gz CFNZOZZOPUYCDT-YHELAOLJSA-N 1 0 325.500 4.054 20 30 EIEDRO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000525274074 1029543886 /nfs/dbraw/zinc/54/38/86/1029543886.db2.gz CLBIGAHDSVFGLZ-QGZVFWFLSA-N 1 0 347.890 4.097 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)c1 ZINC000343632847 1029619865 /nfs/dbraw/zinc/61/98/65/1029619865.db2.gz ZTVNUYTVOOYIRQ-KRWDZBQOSA-N 1 0 345.368 4.182 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)o1 ZINC000179049170 1029624162 /nfs/dbraw/zinc/62/41/62/1029624162.db2.gz STROJXVHBATGOM-UHFFFAOYSA-N 1 0 343.839 4.260 20 30 EIEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000193000795 1029656347 /nfs/dbraw/zinc/65/63/47/1029656347.db2.gz LPXYDEGWWWRWCW-CABCVRRESA-N 1 0 340.423 4.018 20 30 EIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000193009180 1029656713 /nfs/dbraw/zinc/65/67/13/1029656713.db2.gz KSAZOUFRYCEAAT-UONOGXRCSA-N 1 0 328.387 4.148 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301162498 1029678994 /nfs/dbraw/zinc/67/89/94/1029678994.db2.gz GPODWEHVPJVPLY-UHFFFAOYSA-N 1 0 343.349 4.066 20 30 EIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C12CCCCC2 ZINC000525640852 1029720089 /nfs/dbraw/zinc/72/00/89/1029720089.db2.gz FIGDLTJFEBYVJZ-RBUKOAKNSA-N 1 0 330.447 4.257 20 30 EIEDRO CC[N@H+](Cc1nc2ccccc2nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000054340671 1029739123 /nfs/dbraw/zinc/73/91/23/1029739123.db2.gz CTDXYVPQJMDIBP-MRXNPFEDSA-N 1 0 330.435 4.393 20 30 EIEDRO N#CC(CC[N@@H+](CCCCO)C1CC1)(c1ccccc1)c1ccccc1 ZINC000193057805 1029740126 /nfs/dbraw/zinc/74/01/26/1029740126.db2.gz YJOWLWWSIUPHJV-UHFFFAOYSA-N 1 0 348.490 4.123 20 30 EIEDRO N#CCCC1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000584348822 1029745898 /nfs/dbraw/zinc/74/58/98/1029745898.db2.gz NCOHAETWIHBDHH-UHFFFAOYSA-N 1 0 347.462 4.308 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)cc1 ZINC000584350379 1029746662 /nfs/dbraw/zinc/74/66/62/1029746662.db2.gz GQOHIVFSGFJDIM-GOSISDBHSA-N 1 0 341.252 4.292 20 30 EIEDRO Cc1ccccc1[C@H]([NH2+]C1CCN(CC#N)CC1)C1CCC(C)CC1 ZINC000611863797 1029872370 /nfs/dbraw/zinc/87/23/70/1029872370.db2.gz GQYAKHQDVVGGIP-RKOYOZNISA-N 1 0 339.527 4.440 20 30 EIEDRO C=CCCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000447323035 1030010407 /nfs/dbraw/zinc/01/04/07/1030010407.db2.gz IFHMHSHCDBMUMI-UHFFFAOYSA-N 1 0 329.362 4.147 20 30 EIEDRO CC(C)N1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000450848803 1030039045 /nfs/dbraw/zinc/03/90/45/1030039045.db2.gz VIAUYYSIZLBZEB-MSOLQXFVSA-N 1 0 349.881 4.286 20 30 EIEDRO COc1ccccc1-c1csc([C@@H]2CCC[N@H+](CCCC#N)C2)n1 ZINC000447394887 1030062835 /nfs/dbraw/zinc/06/28/35/1030062835.db2.gz HHYGTGXCMZPDGF-OAHLLOKOSA-N 1 0 341.480 4.302 20 30 EIEDRO CC[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000447530813 1030123851 /nfs/dbraw/zinc/12/38/51/1030123851.db2.gz NSOGMKMHTPVQNZ-VXKWHMMOSA-N 1 0 333.479 4.436 20 30 EIEDRO CC[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(C#N)cc1 ZINC000447530567 1030124680 /nfs/dbraw/zinc/12/46/80/1030124680.db2.gz OOGMORJVVPVUKF-FQEVSTJZSA-N 1 0 335.476 4.404 20 30 EIEDRO CC[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000447530811 1030124911 /nfs/dbraw/zinc/12/49/11/1030124911.db2.gz NSOGMKMHTPVQNZ-FGZHOGPDSA-N 1 0 333.479 4.436 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccc(C#N)cc1 ZINC000447562535 1030172381 /nfs/dbraw/zinc/17/23/81/1030172381.db2.gz LWSBZTALDWRMSD-MOPGFXCFSA-N 1 0 343.421 4.180 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccnn1C ZINC000447593086 1030196788 /nfs/dbraw/zinc/19/67/88/1030196788.db2.gz PWACUBKUTVVWQY-HOTGVXAUSA-N 1 0 330.435 4.371 20 30 EIEDRO Cc1sc(C(C)(C)[NH2+]CCOCCC#N)nc1-c1ccccc1F ZINC000451165874 1030294910 /nfs/dbraw/zinc/29/49/10/1030294910.db2.gz MNKMRPIKDDPQJY-UHFFFAOYSA-N 1 0 347.459 4.013 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000526942316 1030358747 /nfs/dbraw/zinc/35/87/47/1030358747.db2.gz JCSVHEBTFJEMMI-RDJZCZTQSA-N 1 0 328.456 4.063 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3cccc4cnccc43)CC2)cc1 ZINC000611956927 1030460175 /nfs/dbraw/zinc/46/01/75/1030460175.db2.gz UOXVADMTXOEVBN-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO C=CCC[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000189897841 1030510559 /nfs/dbraw/zinc/51/05/59/1030510559.db2.gz IISSRSYXMKCQTF-CTNGQTDRSA-N 1 0 340.511 4.071 20 30 EIEDRO COc1cccc([C@H](C)[NH+]2CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000527191110 1030547453 /nfs/dbraw/zinc/54/74/53/1030547453.db2.gz MBDMMIDEOLFGMI-ROUUACIJSA-N 1 0 349.478 4.007 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000527243012 1030572305 /nfs/dbraw/zinc/57/23/05/1030572305.db2.gz CVABFJFWWFPOGD-IBGZPJMESA-N 1 0 338.426 4.498 20 30 EIEDRO CO[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000451563157 1030581001 /nfs/dbraw/zinc/58/10/01/1030581001.db2.gz JSPZVXHFBZLSGV-UGKGYDQZSA-N 1 0 348.490 4.243 20 30 EIEDRO CO[C@@H]1CCC[C@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451633020 1030626910 /nfs/dbraw/zinc/62/69/10/1030626910.db2.gz NALSWXLWZIFSJK-NHCUHLMSSA-N 1 0 334.463 4.043 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000527489767 1030725874 /nfs/dbraw/zinc/72/58/74/1030725874.db2.gz WHDPHHHCZQRIMU-IEBWSBKVSA-N 1 0 334.891 4.195 20 30 EIEDRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2OC)cc1 ZINC000448379541 1030765944 /nfs/dbraw/zinc/76/59/44/1030765944.db2.gz YXNGGVSBSXHIFF-FQEVSTJZSA-N 1 0 336.435 4.303 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000255644405 1030833629 /nfs/dbraw/zinc/83/36/29/1030833629.db2.gz YXCGKHFWXFSBNN-FYYJVHHASA-N 1 0 345.446 4.196 20 30 EIEDRO C=CC[C@@H](C)NC(=O)[C@@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC000531061668 1030846551 /nfs/dbraw/zinc/84/65/51/1030846551.db2.gz PGWUKUDELSVHBO-CZUORRHYSA-N 1 0 342.405 4.169 20 30 EIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Cl)s3)C2)c(F)c1 ZINC000237712837 1030855408 /nfs/dbraw/zinc/85/54/08/1030855408.db2.gz KKEKCIFNAHSRPP-CYBMUJFWSA-N 1 0 349.862 4.171 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(C(F)F)cc3)CCOCC2)cc1 ZINC000527812225 1030856356 /nfs/dbraw/zinc/85/63/56/1030856356.db2.gz ROHRVORVOSWRTG-UHFFFAOYSA-N 1 0 342.389 4.291 20 30 EIEDRO Cc1sc(CC[NH2+]Cc2cc(C#N)cs2)nc1-c1ccccc1 ZINC000152393949 1030893832 /nfs/dbraw/zinc/89/38/32/1030893832.db2.gz QWPXRMDLKSNRNT-UHFFFAOYSA-N 1 0 339.489 4.384 20 30 EIEDRO C[C@]1(C#N)CCCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000612167921 1031087264 /nfs/dbraw/zinc/08/72/64/1031087264.db2.gz YYPDSTNILYFCFT-MRXNPFEDSA-N 1 0 326.362 4.100 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000171027737 1031161499 /nfs/dbraw/zinc/16/14/99/1031161499.db2.gz BPCYPECPPNHQJW-UHFFFAOYSA-N 1 0 347.462 4.151 20 30 EIEDRO CC(C)C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCC1 ZINC000532499293 1031237280 /nfs/dbraw/zinc/23/72/80/1031237280.db2.gz WTUZNLPKJUOFIE-UHFFFAOYSA-N 1 0 333.863 4.051 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)c(F)c1 ZINC000532569650 1031303780 /nfs/dbraw/zinc/30/37/80/1031303780.db2.gz UUUPCMKPMIYRFA-NRFANRHFSA-N 1 0 338.426 4.271 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2csc(-c3ccccc3)n2)c(F)c1 ZINC000532588267 1031316288 /nfs/dbraw/zinc/31/62/88/1031316288.db2.gz NNWHKUFJEBIFNW-UHFFFAOYSA-N 1 0 337.423 4.153 20 30 EIEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449085445 1031414379 /nfs/dbraw/zinc/41/43/79/1031414379.db2.gz NIRFRIUQOPZQDM-UHFFFAOYSA-N 1 0 336.483 4.175 20 30 EIEDRO C=C(C)COCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000531629824 1031427236 /nfs/dbraw/zinc/42/72/36/1031427236.db2.gz KHIXTOFPPAEHIJ-UHFFFAOYSA-N 1 0 332.425 4.006 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000548923323 1031440814 /nfs/dbraw/zinc/44/08/14/1031440814.db2.gz ARIMIZJRALOOCE-MRXNPFEDSA-N 1 0 349.453 4.285 20 30 EIEDRO COc1ccc(Br)cc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449135735 1031469492 /nfs/dbraw/zinc/46/94/92/1031469492.db2.gz RELHYRPNVMSFNZ-UHFFFAOYSA-N 1 0 337.261 4.020 20 30 EIEDRO Cn1cc([C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2ccccc2)cn1 ZINC000612422708 1031503238 /nfs/dbraw/zinc/50/32/38/1031503238.db2.gz DETFXXUGNPPZAY-VXKWHMMOSA-N 1 0 342.446 4.048 20 30 EIEDRO Cc1ccc(-c2ncc(C[NH2+]CCOc3ccc(C#N)cc3)s2)cc1 ZINC000237800027 1031506568 /nfs/dbraw/zinc/50/65/68/1031506568.db2.gz CLWRRXCHSLXUHQ-UHFFFAOYSA-N 1 0 349.459 4.159 20 30 EIEDRO Cn1cc(CN2CCCC[C@@H]2c2nc3ccccc3s2)cc1C#N ZINC000365235454 1031564645 /nfs/dbraw/zinc/56/46/45/1031564645.db2.gz VYBIFFGUQCDEAH-QGZVFWFLSA-N 1 0 336.464 4.234 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000449310342 1031611871 /nfs/dbraw/zinc/61/18/71/1031611871.db2.gz GSVBWQNNERRZTH-AQFXKWCLSA-N 1 0 348.288 4.357 20 30 EIEDRO C=CCN(CCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1C ZINC000065959641 1031620482 /nfs/dbraw/zinc/62/04/82/1031620482.db2.gz JTLDZAOXQJLBLO-UHFFFAOYSA-N 1 0 342.870 4.318 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000449345498 1031640535 /nfs/dbraw/zinc/64/05/35/1031640535.db2.gz WBXUHRJLEVSDKQ-ASFAAARLSA-N 1 0 326.419 4.134 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CSc4ccccc43)CC2)cc1 ZINC000449359591 1031679061 /nfs/dbraw/zinc/67/90/61/1031679061.db2.gz GTVLYWHRARJRGL-QGZVFWFLSA-N 1 0 349.503 4.006 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453208841 1031725494 /nfs/dbraw/zinc/72/54/94/1031725494.db2.gz HITYBVHWVLFWJV-PNGKTBNWSA-N 1 0 346.902 4.350 20 30 EIEDRO CS[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000449445221 1031739351 /nfs/dbraw/zinc/73/93/51/1031739351.db2.gz HVPQWSNLLKBXLN-FQEVSTJZSA-N 1 0 338.476 4.075 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000449447230 1031742428 /nfs/dbraw/zinc/74/24/28/1031742428.db2.gz XIHAPDLGPACGAR-BXWFABGCSA-N 1 0 327.472 4.199 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1Cl ZINC000449468050 1031764466 /nfs/dbraw/zinc/76/44/66/1031764466.db2.gz KFNHYPXNVVHKSY-CGTJXYLNSA-N 1 0 335.875 4.030 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000449468051 1031765650 /nfs/dbraw/zinc/76/56/50/1031765650.db2.gz KFNHYPXNVVHKSY-JQHSSLGASA-N 1 0 335.875 4.030 20 30 EIEDRO CCCCCCCc1ccc(-c2noc([C@@H]3C[C@@](C)(O)C[NH2+]3)n2)cc1 ZINC001211934569 1031802763 /nfs/dbraw/zinc/80/27/63/1031802763.db2.gz APKSLULFBRBAIB-FXAWDEMLSA-N 1 0 343.471 4.035 20 30 EIEDRO C=CCOc1ccccc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000449522470 1031820449 /nfs/dbraw/zinc/82/04/49/1031820449.db2.gz WSRDEFACJOGLEF-MOPGFXCFSA-N 1 0 327.468 4.033 20 30 EIEDRO COC[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000453328663 1031823129 /nfs/dbraw/zinc/82/31/29/1031823129.db2.gz VGDUHKZXOLNZHC-XLIONFOSSA-N 1 0 340.854 4.219 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)c1 ZINC000449566330 1031852027 /nfs/dbraw/zinc/85/20/27/1031852027.db2.gz OCHQDPQTUHVYMQ-UHFFFAOYSA-N 1 0 338.426 4.373 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000453344041 1031871316 /nfs/dbraw/zinc/87/13/16/1031871316.db2.gz FFSMSGGLNKNOIO-VUCTXSBTSA-N 1 0 344.480 4.121 20 30 EIEDRO C=CCC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000449604889 1031876964 /nfs/dbraw/zinc/87/69/64/1031876964.db2.gz LUZQIGJXWQQFJZ-UHFFFAOYSA-N 1 0 337.511 4.249 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000453351139 1031878514 /nfs/dbraw/zinc/87/85/14/1031878514.db2.gz JEMITIQRNRCQDJ-LYRGGWFBSA-N 1 0 332.444 4.252 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000453352032 1031879543 /nfs/dbraw/zinc/87/95/43/1031879543.db2.gz KOSIFZWTASFQCG-BBRMVZONSA-N 1 0 346.471 4.243 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@@H]2CCCO2)c2ccc(F)cc2)cc1F ZINC000453359549 1031889520 /nfs/dbraw/zinc/88/95/20/1031889520.db2.gz ALZHAANGEMKLBY-AZUAARDMSA-N 1 0 342.389 4.236 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)cc1F ZINC000453362616 1031901242 /nfs/dbraw/zinc/90/12/42/1031901242.db2.gz BLGQZULPOXFTFQ-HXUWFJFHSA-N 1 0 336.410 4.190 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)cc1F ZINC000453363718 1031903981 /nfs/dbraw/zinc/90/39/81/1031903981.db2.gz BXJDONYDUCXAEE-KRWDZBQOSA-N 1 0 330.790 4.354 20 30 EIEDRO C=CCC1(C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)CCCC1 ZINC000453370239 1031915008 /nfs/dbraw/zinc/91/50/08/1031915008.db2.gz NFGIXUNRFNJVRE-FQEVSTJZSA-N 1 0 326.484 4.206 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OCCCC#N)c1)C1CCCC1 ZINC000449669386 1031918390 /nfs/dbraw/zinc/91/83/90/1031918390.db2.gz MLKLJXBJWCQHKN-SFHVURJKSA-N 1 0 330.472 4.436 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000449670080 1031919235 /nfs/dbraw/zinc/91/92/35/1031919235.db2.gz OMEGUZYPWHFVMO-OAQYLSRUSA-N 1 0 325.500 4.081 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000453377715 1031928771 /nfs/dbraw/zinc/92/87/71/1031928771.db2.gz YLGARJVWPKSHGJ-INMHGKMJSA-N 1 0 344.455 4.260 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2cccs2)C1)c1ccc(C#N)cc1F ZINC000453402281 1031938017 /nfs/dbraw/zinc/93/80/17/1031938017.db2.gz ZUTXLTPDPHTQSW-RVSPLBMKSA-N 1 0 330.428 4.330 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(OC)cc2F)ccc1OC ZINC000532074380 1032026490 /nfs/dbraw/zinc/02/64/90/1032026490.db2.gz QVJHLDXZGXMDIF-UHFFFAOYSA-N 1 0 345.414 4.088 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C1(CO)CCCC1 ZINC000453609596 1032041942 /nfs/dbraw/zinc/04/19/42/1032041942.db2.gz GHNAXDYHBOWEIY-HXUWFJFHSA-N 1 0 344.499 4.036 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)s1 ZINC000453611445 1032045765 /nfs/dbraw/zinc/04/57/65/1032045765.db2.gz INLZGHRZUMTLDN-GOSISDBHSA-N 1 0 326.465 4.003 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Cl)c(OC)c(OC)c2)cc1 ZINC000512564443 1033372457 /nfs/dbraw/zinc/37/24/57/1033372457.db2.gz KEYNOXWDCMFMIX-UHFFFAOYSA-N 1 0 347.842 4.212 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@@H](C)C[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000236919279 1033406183 /nfs/dbraw/zinc/40/61/83/1033406183.db2.gz KHGGDBACRYMUJO-BBWFWOEESA-N 1 0 337.508 4.227 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)Cc2ccccc2SC)ccc1C#N ZINC000573648819 1033419986 /nfs/dbraw/zinc/41/99/86/1033419986.db2.gz WEIFOODSOLQYBA-AWEZNQCLSA-N 1 0 326.465 4.010 20 30 EIEDRO C[C@H]([NH2+]CCCN(C)c1ccccc1F)c1ccc(C#N)cc1F ZINC000512620573 1033508602 /nfs/dbraw/zinc/50/86/02/1033508602.db2.gz RDEXZDNGUUMARF-AWEZNQCLSA-N 1 0 329.394 4.014 20 30 EIEDRO C[N@H+](CCOc1ccc(F)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159298 1033529813 /nfs/dbraw/zinc/52/98/13/1033529813.db2.gz GJBQPRSFCIKONX-UHFFFAOYSA-N 1 0 326.415 4.138 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512631046 1033552223 /nfs/dbraw/zinc/55/22/23/1033552223.db2.gz PLXJEAGTETZPQE-ZIAGYGMSSA-N 1 0 342.414 4.435 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1 ZINC000614171305 1033580240 /nfs/dbraw/zinc/58/02/40/1033580240.db2.gz JKCODCQXCNMJKM-JOCHJYFZSA-N 1 0 334.463 4.235 20 30 EIEDRO COC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(F)c(F)c1 ZINC000614178929 1033587844 /nfs/dbraw/zinc/58/78/44/1033587844.db2.gz IQDNAKQJLSKLFY-LJQANCHMSA-N 1 0 344.405 4.243 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000614179097 1033588661 /nfs/dbraw/zinc/58/86/61/1033588661.db2.gz COGKEUHKVPUBAE-HNNXBMFYSA-N 1 0 347.462 4.223 20 30 EIEDRO COc1cccc(F)c1[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000614179236 1033592916 /nfs/dbraw/zinc/59/29/16/1033592916.db2.gz LJIXXKXPWMSZLV-CQSZACIVSA-N 1 0 326.415 4.486 20 30 EIEDRO C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(C#N)cc1F ZINC000512647020 1033601864 /nfs/dbraw/zinc/60/18/64/1033601864.db2.gz GCNAFKYWIFCADD-CYBMUJFWSA-N 1 0 332.806 4.218 20 30 EIEDRO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614179892 1033605286 /nfs/dbraw/zinc/60/52/86/1033605286.db2.gz REMJTZGIXOKRAW-AWEZNQCLSA-N 1 0 326.415 4.486 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(C#N)cc1F ZINC000512649982 1033608985 /nfs/dbraw/zinc/60/89/85/1033608985.db2.gz WBSNCVHDXHLEGD-JHVJFLLYSA-N 1 0 338.426 4.486 20 30 EIEDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614186056 1033639561 /nfs/dbraw/zinc/63/95/61/1033639561.db2.gz OSMDQKLFCHAUHD-SFHVURJKSA-N 1 0 342.483 4.041 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512662338 1033652107 /nfs/dbraw/zinc/65/21/07/1033652107.db2.gz WNIJWOXOQSXREW-BXWFABGCSA-N 1 0 337.442 4.183 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512662339 1033652506 /nfs/dbraw/zinc/65/25/06/1033652506.db2.gz WNIJWOXOQSXREW-FCEWJHQRSA-N 1 0 337.442 4.183 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H]1C ZINC000512665269 1033654198 /nfs/dbraw/zinc/65/41/98/1033654198.db2.gz DYDHGFQMMRPMJK-ZBPHDNMCSA-N 1 0 327.472 4.058 20 30 EIEDRO C[C@@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512667022 1033668171 /nfs/dbraw/zinc/66/81/71/1033668171.db2.gz NPHKPTKPOGHIPH-DLBZAZTESA-N 1 0 339.458 4.259 20 30 EIEDRO N#CCCC[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000433024711 1033683716 /nfs/dbraw/zinc/68/37/16/1033683716.db2.gz DUXWHZFLCCBMFY-LJQANCHMSA-N 1 0 339.414 4.179 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1cccc2cccnc21)c1ccc(C#N)cc1F ZINC000512674769 1033684214 /nfs/dbraw/zinc/68/42/14/1033684214.db2.gz YULOEBREGKSZQH-OAHLLOKOSA-N 1 0 349.409 4.365 20 30 EIEDRO CCN(C[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1)CC(F)(F)F ZINC000411306672 1033826865 /nfs/dbraw/zinc/82/68/65/1033826865.db2.gz LPXNINXYJFBJAY-INIZCTEOSA-N 1 0 345.453 4.057 20 30 EIEDRO CC[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000433093301 1033835431 /nfs/dbraw/zinc/83/54/31/1033835431.db2.gz TWECHXNKHDCWIX-ATKRNPRHSA-N 1 0 334.463 4.155 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccnc(N)c1)c1ccc(C(F)(F)F)cc1 ZINC000411476583 1033922175 /nfs/dbraw/zinc/92/21/75/1033922175.db2.gz BYHAHZNNCNALPH-INIZCTEOSA-N 1 0 335.373 4.310 20 30 EIEDRO C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCCC#N ZINC000178769559 1033953610 /nfs/dbraw/zinc/95/36/10/1033953610.db2.gz QSRDPHSXWRPHGY-DLBZAZTESA-N 1 0 337.508 4.228 20 30 EIEDRO Cc1ccc(CC[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512801235 1033970124 /nfs/dbraw/zinc/97/01/24/1033970124.db2.gz KBDXLEBVQBBPKL-UHFFFAOYSA-N 1 0 338.426 4.092 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(CSC)cc2)cc1OC ZINC000512971608 1034264153 /nfs/dbraw/zinc/26/41/53/1034264153.db2.gz JCZOHJBPKIAAGH-UHFFFAOYSA-N 1 0 343.492 4.413 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)c(OC)c1 ZINC000614396134 1034533101 /nfs/dbraw/zinc/53/31/01/1034533101.db2.gz YCPAQJFOLUFYOV-HXUWFJFHSA-N 1 0 336.435 4.221 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000614396882 1034535956 /nfs/dbraw/zinc/53/59/56/1034535956.db2.gz XGWPSPOQHRSXMQ-VXKWHMMOSA-N 1 0 334.463 4.466 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000614403379 1034551826 /nfs/dbraw/zinc/55/18/26/1034551826.db2.gz WDQLXRLBHCCGRC-UHFFFAOYSA-N 1 0 338.426 4.187 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000614405681 1034553924 /nfs/dbraw/zinc/55/39/24/1034553924.db2.gz BNZBHOPVBZXSFE-NHCUHLMSSA-N 1 0 338.426 4.358 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)ccc1OCCC(C)C ZINC000549925314 1034674234 /nfs/dbraw/zinc/67/42/34/1034674234.db2.gz POAFYTKSCMLKQZ-JZXOWHBKSA-N 1 0 330.472 4.463 20 30 EIEDRO CC[C@H](C)c1ccc([C@H]([NH2+]CC(=O)N(CC)CCC#N)C(C)C)cc1 ZINC001167936820 1034749480 /nfs/dbraw/zinc/74/94/80/1034749480.db2.gz NENHFPFBTIECQU-LAUBAEHRSA-N 1 0 343.515 4.249 20 30 EIEDRO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000729267118 1034768769 /nfs/dbraw/zinc/76/87/69/1034768769.db2.gz ZJLURPCLPWNDHG-UHFFFAOYSA-N 1 0 334.341 4.240 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513257044 1034861418 /nfs/dbraw/zinc/86/14/18/1034861418.db2.gz OZIQFSPFMXRBMJ-APWZRJJASA-N 1 0 336.435 4.029 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1 ZINC000434033846 1035072147 /nfs/dbraw/zinc/07/21/47/1035072147.db2.gz YNCKQMFGZHSWGG-IBGZPJMESA-N 1 0 341.499 4.073 20 30 EIEDRO CC[N@H+](Cc1cnn(-c2ccccc2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000345199537 1035142722 /nfs/dbraw/zinc/14/27/22/1035142722.db2.gz KCRRQERVVNCZFP-KRWDZBQOSA-N 1 0 330.435 4.327 20 30 EIEDRO CN(c1ccccc1)c1ccc(C[NH2+]Cc2cccc(C#N)c2)cn1 ZINC000047795262 1035465790 /nfs/dbraw/zinc/46/57/90/1035465790.db2.gz KWAQUEQLOLOFAV-UHFFFAOYSA-N 1 0 328.419 4.011 20 30 EIEDRO C[C@]1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1(F)F ZINC000594983652 1035516047 /nfs/dbraw/zinc/51/60/47/1035516047.db2.gz HMBONDAZYXLBJR-LJQANCHMSA-N 1 0 342.389 4.272 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(Cc3ccc(Br)cc3)CC2)o1 ZINC000594985706 1035519683 /nfs/dbraw/zinc/51/96/83/1035519683.db2.gz NKSOVUQKBBHAIO-UHFFFAOYSA-N 1 0 345.240 4.026 20 30 EIEDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055468 1035534313 /nfs/dbraw/zinc/53/43/13/1035534313.db2.gz FCLDOTNWEDMBOA-CABCVRRESA-N 1 0 335.476 4.492 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1ccc(C#N)cc1)CC3 ZINC000595055970 1035534539 /nfs/dbraw/zinc/53/45/39/1035534539.db2.gz NRCJOKRJISBGOG-GOSISDBHSA-N 1 0 329.447 4.038 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cncc(Br)c1)c1ccc(C#N)cc1 ZINC000595010545 1035535023 /nfs/dbraw/zinc/53/50/23/1035535023.db2.gz XZWGWZXCYKNGJZ-RYUDHWBXSA-N 1 0 330.229 4.128 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1)c1cccc(C#N)c1 ZINC000595058531 1035536203 /nfs/dbraw/zinc/53/62/03/1035536203.db2.gz CLIVUTMDWPZLST-WBVHZDCISA-N 1 0 339.870 4.389 20 30 EIEDRO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000595073589 1035555195 /nfs/dbraw/zinc/55/51/95/1035555195.db2.gz NWIJTHKJQRRPSM-ZBEGNZNMSA-N 1 0 344.352 4.238 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cccnc2OC)cc1 ZINC000151169265 1035557288 /nfs/dbraw/zinc/55/72/88/1035557288.db2.gz LYOFRPOIWHLFAY-AWEZNQCLSA-N 1 0 332.831 4.072 20 30 EIEDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000595104981 1035588183 /nfs/dbraw/zinc/58/81/83/1035588183.db2.gz BZBSOKRRFMQBBK-NNFZLKSESA-N 1 0 348.490 4.145 20 30 EIEDRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000595090570 1035592028 /nfs/dbraw/zinc/59/20/28/1035592028.db2.gz IDWQQHHRLMVLEG-MRXNPFEDSA-N 1 0 342.487 4.341 20 30 EIEDRO N#CC1(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CCCCC1 ZINC000595092090 1035598070 /nfs/dbraw/zinc/59/80/70/1035598070.db2.gz WFAUXGPVFPVGKJ-KRWDZBQOSA-N 1 0 325.481 4.491 20 30 EIEDRO CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000595096900 1035604951 /nfs/dbraw/zinc/60/49/51/1035604951.db2.gz NWMMUTOBENPJNK-PNHOKKKMSA-N 1 0 326.415 4.106 20 30 EIEDRO CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000595094083 1035606075 /nfs/dbraw/zinc/60/60/75/1035606075.db2.gz BWGVPPOICPOKOU-GKCIPKSASA-N 1 0 326.415 4.106 20 30 EIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCc1ccc(C#N)cc1)CCC2 ZINC000595383470 1035669725 /nfs/dbraw/zinc/66/97/25/1035669725.db2.gz OOWXKSZLZLWLJD-QGZVFWFLSA-N 1 0 325.481 4.129 20 30 EIEDRO N#Cc1ccc(CC[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000595373695 1035670835 /nfs/dbraw/zinc/67/08/35/1035670835.db2.gz SQUNHJMPLKLQDS-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC000595384718 1035670977 /nfs/dbraw/zinc/67/09/77/1035670977.db2.gz OXNMCJIGXNLGPO-LJQANCHMSA-N 1 0 331.419 4.469 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505765 1035689776 /nfs/dbraw/zinc/68/97/76/1035689776.db2.gz XYCZSROHYIFXCX-UHFFFAOYSA-N 1 0 335.442 4.197 20 30 EIEDRO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)s1)c1nc(-c2ccccc2)no1 ZINC000183359448 1035739064 /nfs/dbraw/zinc/73/90/64/1035739064.db2.gz QNNKHOMPGJPFHB-CHWSQXEVSA-N 1 0 338.436 4.124 20 30 EIEDRO COC(=O)c1cccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1Cl ZINC000595632954 1035741677 /nfs/dbraw/zinc/74/16/77/1035741677.db2.gz MAXGLSZUTYPVAA-UHFFFAOYSA-N 1 0 342.826 4.023 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595657944 1035761343 /nfs/dbraw/zinc/76/13/43/1035761343.db2.gz CVLUDXDSJPYVRB-CQSZACIVSA-N 1 0 327.384 4.038 20 30 EIEDRO CC(C)(C)OC(=O)CCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000595715070 1035772155 /nfs/dbraw/zinc/77/21/55/1035772155.db2.gz CGIQVSFJPQJHAT-UHFFFAOYSA-N 1 0 342.483 4.087 20 30 EIEDRO N#Cc1cc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)ccc1F ZINC000593113784 1035776079 /nfs/dbraw/zinc/77/60/79/1035776079.db2.gz VLJZJVRRCDKNMG-UHFFFAOYSA-N 1 0 334.316 4.495 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cccc(C(F)F)c3)CCOCC2)c1 ZINC000595769900 1035779262 /nfs/dbraw/zinc/77/92/62/1035779262.db2.gz VQTURYBEFJTWGG-UHFFFAOYSA-N 1 0 342.389 4.291 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595751081 1035787001 /nfs/dbraw/zinc/78/70/01/1035787001.db2.gz VFRWBFKWIKXIIX-CQSZACIVSA-N 1 0 329.271 4.289 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000595785591 1035793847 /nfs/dbraw/zinc/79/38/47/1035793847.db2.gz YIEOMXMLLQTAKB-HXUWFJFHSA-N 1 0 326.484 4.269 20 30 EIEDRO C[C@@]1(C#N)CC[N@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000595840202 1035798083 /nfs/dbraw/zinc/79/80/83/1035798083.db2.gz OSXPBLJSRDNKRO-INIZCTEOSA-N 1 0 326.362 4.100 20 30 EIEDRO C[C@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595889138 1035802969 /nfs/dbraw/zinc/80/29/69/1035802969.db2.gz HMSDTPVZAAZVRP-ZFWWWQNUSA-N 1 0 340.389 4.029 20 30 EIEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)c1 ZINC000595880233 1035802985 /nfs/dbraw/zinc/80/29/85/1035802985.db2.gz ZZIXCGJVDHQLKC-UHFFFAOYSA-N 1 0 334.394 4.138 20 30 EIEDRO C[C@@H]1[C@H](C)[N@H+](CCCC(C)(C)C#N)CCN1CCCC(C)(C)C#N ZINC000595887849 1035803392 /nfs/dbraw/zinc/80/33/92/1035803392.db2.gz UXZCJDJBIJBAIJ-HDICACEKSA-N 1 0 332.536 4.041 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC(C)C)c2ccccc2C)CC1 ZINC000491132029 1035816624 /nfs/dbraw/zinc/81/66/24/1035816624.db2.gz FHSHGDLFZVRMPM-HXUWFJFHSA-N 1 0 343.515 4.032 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1 ZINC000586780137 1035844043 /nfs/dbraw/zinc/84/40/43/1035844043.db2.gz NTOPUVMBXDNXRR-SFHVURJKSA-N 1 0 349.261 4.387 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(C)c1OC ZINC000586793887 1035849725 /nfs/dbraw/zinc/84/97/25/1035849725.db2.gz NOCHEKHLTLWVGJ-KUHUBIRLSA-N 1 0 336.435 4.222 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(C)c1OC ZINC000586793888 1035850027 /nfs/dbraw/zinc/85/00/27/1035850027.db2.gz NOCHEKHLTLWVGJ-LIRRHRJNSA-N 1 0 336.435 4.222 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C3(c4ccc(F)cc4)CCC3)CC2)cc1 ZINC000586791690 1035850092 /nfs/dbraw/zinc/85/00/92/1035850092.db2.gz UXFOVUBEOQBNKG-UHFFFAOYSA-N 1 0 349.453 4.335 20 30 EIEDRO COc1ccccc1/C=C\C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000513732072 1035875448 /nfs/dbraw/zinc/87/54/48/1035875448.db2.gz ARTVDQZQEHCNBU-XQRVVYSFSA-N 1 0 348.446 4.123 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000485459876 1035893488 /nfs/dbraw/zinc/89/34/88/1035893488.db2.gz DYLFNQKCCWBUEZ-UHFFFAOYSA-N 1 0 346.540 4.349 20 30 EIEDRO COc1ccc(-c2nc(C[NH+]3CCC(CCC#N)CC3)cs2)cc1 ZINC000571080055 1035936621 /nfs/dbraw/zinc/93/66/21/1035936621.db2.gz MBPLAGPGIZLIRV-UHFFFAOYSA-N 1 0 341.480 4.334 20 30 EIEDRO CCOc1cc2c(cc1C[NH2+][C@H]1CCc3ccc(C#N)cc31)O[C@@H](C)C2 ZINC000571091934 1035943130 /nfs/dbraw/zinc/94/31/30/1035943130.db2.gz IHOUPQJVPBNLLK-XOBRGWDASA-N 1 0 348.446 4.057 20 30 EIEDRO C[NH+](C)Cc1cc(-c2ccc(C3(C#N)CCOCC3)cc2)ccc1F ZINC000596646383 1035958699 /nfs/dbraw/zinc/95/86/99/1035958699.db2.gz LKGMGAVNSFLORD-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO CCc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)ccn1 ZINC001168410115 1035961986 /nfs/dbraw/zinc/96/19/86/1035961986.db2.gz UIOSRORVSUCZGB-UHFFFAOYSA-N 1 0 326.399 4.243 20 30 EIEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000421023029 1035997202 /nfs/dbraw/zinc/99/72/02/1035997202.db2.gz QRNNHUNFIIGQMH-IBGZPJMESA-N 1 0 326.484 4.355 20 30 EIEDRO C=C(C[NH2+][C@H](C)Cc1cc(OC)c(OC)cc1C)c1ccccc1 ZINC000502256791 1036013628 /nfs/dbraw/zinc/01/36/28/1036013628.db2.gz ZMBOXVPZDQQOEZ-QGZVFWFLSA-N 1 0 325.452 4.246 20 30 EIEDRO CCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000597011858 1036069067 /nfs/dbraw/zinc/06/90/67/1036069067.db2.gz GHJORUXPFBHDEI-VAMGGRTRSA-N 1 0 338.495 4.267 20 30 EIEDRO CCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000597011857 1036069892 /nfs/dbraw/zinc/06/98/92/1036069892.db2.gz GHJORUXPFBHDEI-AQNXPRMDSA-N 1 0 338.495 4.267 20 30 EIEDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015392 1036070843 /nfs/dbraw/zinc/07/08/43/1036070843.db2.gz YRPLWDUMNGMASA-NRFANRHFSA-N 1 0 334.463 4.015 20 30 EIEDRO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596998299 1036072904 /nfs/dbraw/zinc/07/29/04/1036072904.db2.gz LTXMESKOSCLFFJ-DYESRHJHSA-N 1 0 332.447 4.204 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CC[C@@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC000597079872 1036096167 /nfs/dbraw/zinc/09/61/67/1036096167.db2.gz IWOHDRBQHYBCCX-HXUWFJFHSA-N 1 0 336.410 4.034 20 30 EIEDRO CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597175397 1036143765 /nfs/dbraw/zinc/14/37/65/1036143765.db2.gz YZQCXZGHUVLWDB-QGZVFWFLSA-N 1 0 336.483 4.295 20 30 EIEDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000485802520 1036285058 /nfs/dbraw/zinc/28/50/58/1036285058.db2.gz UEMIEEQFEQFRHB-AWEZNQCLSA-N 1 0 339.395 4.058 20 30 EIEDRO CC[NH+]1CCC(n2nc(C(F)(F)F)cc2-c2ccc(C#N)cc2)CC1 ZINC000601940700 1036293601 /nfs/dbraw/zinc/29/36/01/1036293601.db2.gz QNPBGCWCSBNUKK-UHFFFAOYSA-N 1 0 348.372 4.097 20 30 EIEDRO C[C@@H](NCc1ccc(Br)cc1C#N)c1cccc(C#N)c1 ZINC000588204526 1036299328 /nfs/dbraw/zinc/29/93/28/1036299328.db2.gz NMBSBJCLFNESJZ-GFCCVEGCSA-N 1 0 340.224 4.043 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc2ncsc2c1 ZINC000485817583 1036303214 /nfs/dbraw/zinc/30/32/14/1036303214.db2.gz KPFAZFYBXBLPCA-CQSZACIVSA-N 1 0 337.448 4.288 20 30 EIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CC3(C#N)CCCCC3)ccc21 ZINC000597729618 1036332352 /nfs/dbraw/zinc/33/23/52/1036332352.db2.gz YVHDLPOTKFJWFE-SFHVURJKSA-N 1 0 325.456 4.038 20 30 EIEDRO CC1CC[NH+]([C@H](CNC(=O)CCCCCC#N)c2ccccc2)CC1 ZINC000588304010 1036346890 /nfs/dbraw/zinc/34/68/90/1036346890.db2.gz KXYGEFLDGZMHOW-HXUWFJFHSA-N 1 0 341.499 4.050 20 30 EIEDRO CC[NH+](CC)Cc1ccc(C(=O)NC(C)(C)c2cccc(C#N)c2)cc1 ZINC000597951702 1036399352 /nfs/dbraw/zinc/39/93/52/1036399352.db2.gz MHYDDCMNQRGTMN-UHFFFAOYSA-N 1 0 349.478 4.065 20 30 EIEDRO C=CC[NH+]1CCC([C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000597982988 1036419011 /nfs/dbraw/zinc/41/90/11/1036419011.db2.gz UCFJOCXZDVTAAW-HXUWFJFHSA-N 1 0 341.499 4.361 20 30 EIEDRO C[C@@H](CCC#N)C[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000602457371 1036453872 /nfs/dbraw/zinc/45/38/72/1036453872.db2.gz AOIGVNSRTCENKK-IBGZPJMESA-N 1 0 336.479 4.400 20 30 EIEDRO CC[NH+](CC)Cc1cccc(N[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602482371 1036463047 /nfs/dbraw/zinc/46/30/47/1036463047.db2.gz APYJYXAUERCQCA-QGZVFWFLSA-N 1 0 329.488 4.039 20 30 EIEDRO N#CC1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)CC1 ZINC000602497557 1036471997 /nfs/dbraw/zinc/47/19/97/1036471997.db2.gz BEMKMDUKFKUGOI-RJYAGPCLSA-N 1 0 331.891 4.149 20 30 EIEDRO Cc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H](C)CCC#N)c2)cc1 ZINC000602517867 1036474744 /nfs/dbraw/zinc/47/47/44/1036474744.db2.gz KAACKKJEJGKPCS-KRWDZBQOSA-N 1 0 335.451 4.277 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000602512615 1036485872 /nfs/dbraw/zinc/48/58/72/1036485872.db2.gz WKQJGKQXHZBSIB-PBHICJAKSA-N 1 0 337.870 4.145 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]CCCc1ccc(Br)cc1F ZINC000602547463 1036490425 /nfs/dbraw/zinc/49/04/25/1036490425.db2.gz POXHODJGRGZKPY-LBPRGKRZSA-N 1 0 327.241 4.050 20 30 EIEDRO COc1cccc(Oc2ncccc2C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602554148 1036496433 /nfs/dbraw/zinc/49/64/33/1036496433.db2.gz GEPOTHLILHHUBZ-UHFFFAOYSA-N 1 0 337.423 4.054 20 30 EIEDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602565896 1036500033 /nfs/dbraw/zinc/50/00/33/1036500033.db2.gz BDRRPXWWJGDKKD-QZTJIDSGSA-N 1 0 344.499 4.361 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c(OC(C)(C)C)c1 ZINC000602571724 1036500246 /nfs/dbraw/zinc/50/02/46/1036500246.db2.gz XAJGVTVTGKISGV-KRWDZBQOSA-N 1 0 344.499 4.361 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000602593525 1036502644 /nfs/dbraw/zinc/50/26/44/1036502644.db2.gz ZMLSZEQSZSUTGJ-CCKFTAQKSA-N 1 0 335.442 4.018 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccccc2Cl)CC1 ZINC000602581003 1036509367 /nfs/dbraw/zinc/50/93/67/1036509367.db2.gz RXWKZOPZZAGIJS-OAHLLOKOSA-N 1 0 332.875 4.060 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000602586321 1036513174 /nfs/dbraw/zinc/51/31/74/1036513174.db2.gz PUGIWCRTKUDNKE-OXJNMPFZSA-N 1 0 332.451 4.192 20 30 EIEDRO C[C@H]([NH2+]C1CC(n2cccn2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000602603315 1036522680 /nfs/dbraw/zinc/52/26/80/1036522680.db2.gz XRTGDCGBCGJVHY-XDGVHFHYSA-N 1 0 342.446 4.476 20 30 EIEDRO N#Cc1c(F)cccc1C[NH2+]C12CCC(C(F)(F)F)(CC1)CC2 ZINC000602640277 1036531031 /nfs/dbraw/zinc/53/10/31/1036531031.db2.gz LXOJHLHHTVYSGW-UHFFFAOYSA-N 1 0 326.337 4.442 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000602642468 1036531565 /nfs/dbraw/zinc/53/15/65/1036531565.db2.gz YCUKZVAUHDBRKD-GXFFZTMASA-N 1 0 325.275 4.125 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)oc1C ZINC000502706247 1036533086 /nfs/dbraw/zinc/53/30/86/1036533086.db2.gz FRPPTYFZIHTPMC-PBHICJAKSA-N 1 0 341.430 4.227 20 30 EIEDRO CC(C)[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602630919 1036544971 /nfs/dbraw/zinc/54/49/71/1036544971.db2.gz PDEYTYAPXZAVSL-ICSRJNTNSA-N 1 0 328.500 4.190 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(F)c(Br)c1 ZINC000602674697 1036552201 /nfs/dbraw/zinc/55/22/01/1036552201.db2.gz YXGXXEGELZIGNT-ZBOXLXRLSA-N 1 0 325.225 4.321 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Br)cc1F ZINC000602654968 1036553667 /nfs/dbraw/zinc/55/36/67/1036553667.db2.gz MIRHMQXNIUQMEJ-ZBOXLXRLSA-N 1 0 325.225 4.321 20 30 EIEDRO N#CC1CCC([NH2+]CCc2ccc(Br)cc2Cl)CC1 ZINC000602675704 1036560401 /nfs/dbraw/zinc/56/04/01/1036560401.db2.gz ICJNQPYOOLBRDZ-UHFFFAOYSA-N 1 0 341.680 4.317 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000602670218 1036561685 /nfs/dbraw/zinc/56/16/85/1036561685.db2.gz MQAVDPRWRJPOGQ-LBPRGKRZSA-N 1 0 334.261 4.002 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000602670217 1036563649 /nfs/dbraw/zinc/56/36/49/1036563649.db2.gz MQAVDPRWRJPOGQ-GFCCVEGCSA-N 1 0 334.261 4.002 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000602713413 1036588726 /nfs/dbraw/zinc/58/87/26/1036588726.db2.gz AAQRONPDDRRJCU-UWJYYQICSA-N 1 0 326.484 4.043 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907676556 1036692559 /nfs/dbraw/zinc/69/25/59/1036692559.db2.gz KKGZGCUVPBCVPA-IEBWSBKVSA-N 1 0 326.484 4.494 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc2[nH]c(=O)oc2c1 ZINC000602991743 1036693563 /nfs/dbraw/zinc/69/35/63/1036693563.db2.gz ORUJEGUBNAICQY-CYBMUJFWSA-N 1 0 335.407 4.185 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1 ZINC000486435631 1036698148 /nfs/dbraw/zinc/69/81/48/1036698148.db2.gz PSJXQOKWZLOJJZ-UHFFFAOYSA-N 1 0 326.440 4.114 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Oc2ccccc2)cc1 ZINC000598603647 1036705143 /nfs/dbraw/zinc/70/51/43/1036705143.db2.gz XSVVVNQUXVBQDH-FUHWJXTLSA-N 1 0 338.451 4.430 20 30 EIEDRO CC(C)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(Cl)cc1F ZINC000598604000 1036705475 /nfs/dbraw/zinc/70/54/75/1036705475.db2.gz NJBNOFHAJBPZMF-BBRMVZONSA-N 1 0 326.843 4.067 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(-c2ccc(F)cc2)cc1 ZINC000598602499 1036706396 /nfs/dbraw/zinc/70/63/96/1036706396.db2.gz SPZLAOHPBNBMEP-YWZLYKJASA-N 1 0 340.442 4.444 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCc3ccccc3)c2)c1 ZINC000060958730 1036707782 /nfs/dbraw/zinc/70/77/82/1036707782.db2.gz HMWDSRHXQZDYHW-UHFFFAOYSA-N 1 0 342.442 4.470 20 30 EIEDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000603029820 1036708078 /nfs/dbraw/zinc/70/80/78/1036708078.db2.gz PXOOOBSXEXXFIV-FQEVSTJZSA-N 1 0 336.439 4.153 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000598594346 1036709966 /nfs/dbraw/zinc/70/99/66/1036709966.db2.gz HTRDMDSNCPVZDL-KRWDZBQOSA-N 1 0 336.426 4.010 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@](C)(Cc1ccccc1)c1ccccc1 ZINC000598621764 1036716392 /nfs/dbraw/zinc/71/63/92/1036716392.db2.gz LWLFGJHZJYUECQ-IFMALSPDSA-N 1 0 336.479 4.035 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000598604332 1036720224 /nfs/dbraw/zinc/72/02/24/1036720224.db2.gz QYUMWMMHHUXBLZ-RJCHQFKYSA-N 1 0 332.513 4.307 20 30 EIEDRO CCCC(=O)Nc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589336551 1036737989 /nfs/dbraw/zinc/73/79/89/1036737989.db2.gz OZHWAXWXUVRQHS-FQEVSTJZSA-N 1 0 333.435 4.074 20 30 EIEDRO N#CC1(CC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CCCCC1 ZINC000598653200 1036739189 /nfs/dbraw/zinc/73/91/89/1036739189.db2.gz UKFCFLYKMLIVJD-UHFFFAOYSA-N 1 0 325.456 4.085 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(C(F)(F)F)c1 ZINC000589315645 1036745034 /nfs/dbraw/zinc/74/50/34/1036745034.db2.gz JQNHSKZRXFUFEU-ZHALLVOQSA-N 1 0 342.364 4.253 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1OC ZINC000668627922 1036749337 /nfs/dbraw/zinc/74/93/37/1036749337.db2.gz NRUOAKVVJJZHML-RBUKOAKNSA-N 1 0 345.483 4.041 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000598700734 1036750041 /nfs/dbraw/zinc/75/00/41/1036750041.db2.gz PRJAMBBKROSSCG-WIYYLYMNSA-N 1 0 348.446 4.413 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000598700733 1036750113 /nfs/dbraw/zinc/75/01/13/1036750113.db2.gz PRJAMBBKROSSCG-RXVVDRJESA-N 1 0 348.446 4.413 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000598699194 1036751530 /nfs/dbraw/zinc/75/15/30/1036751530.db2.gz CNNIDVUDCBODIK-KRWDZBQOSA-N 1 0 342.414 4.008 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000598725784 1036761912 /nfs/dbraw/zinc/76/19/12/1036761912.db2.gz PHOFOLWRFXHYEJ-KRWDZBQOSA-N 1 0 340.492 4.228 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000593619628 1036784977 /nfs/dbraw/zinc/78/49/77/1036784977.db2.gz ABICZKHWBDCGQU-HNAYVOBHSA-N 1 0 342.483 4.283 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@H]2CCCO2)c2ccc(F)cc2)s1 ZINC000421874377 1036829578 /nfs/dbraw/zinc/82/95/78/1036829578.db2.gz IGONOSIKKORQOF-QAPCUYQASA-N 1 0 330.428 4.159 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000421882318 1036830834 /nfs/dbraw/zinc/83/08/34/1036830834.db2.gz PNMCSCAICKROGZ-KRWDZBQOSA-N 1 0 327.409 4.085 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1OC1CC1 ZINC000598971504 1036834915 /nfs/dbraw/zinc/83/49/15/1036834915.db2.gz UZRLRRYGTPDUMA-IBGZPJMESA-N 1 0 336.435 4.371 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc(C(F)(F)F)c1 ZINC000598973655 1036836872 /nfs/dbraw/zinc/83/68/72/1036836872.db2.gz DZOPOZWKECDXNN-GOSISDBHSA-N 1 0 346.352 4.363 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1OC1CC1 ZINC000598981684 1036838559 /nfs/dbraw/zinc/83/85/59/1036838559.db2.gz ATGSZNVWLQSSOC-FQEVSTJZSA-N 1 0 348.446 4.275 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000599011038 1036846260 /nfs/dbraw/zinc/84/62/60/1036846260.db2.gz XEXUWMGQKPDFPI-SWKXRBFHSA-N 1 0 335.854 4.120 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc(C)ccc1C ZINC000599028662 1036849321 /nfs/dbraw/zinc/84/93/21/1036849321.db2.gz ZHSGEFVDKNEBEX-NRFANRHFSA-N 1 0 348.494 4.280 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cc(Br)cs1 ZINC000165459644 1036851023 /nfs/dbraw/zinc/85/10/23/1036851023.db2.gz BEKRKRQIKVUKPK-UHFFFAOYSA-N 1 0 335.270 4.323 20 30 EIEDRO C=CCSCC[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000599033807 1036851296 /nfs/dbraw/zinc/85/12/96/1036851296.db2.gz DLONPRVDWGNZAT-SNVBAGLBSA-N 1 0 338.826 4.194 20 30 EIEDRO C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000599047955 1036856020 /nfs/dbraw/zinc/85/60/20/1036856020.db2.gz HJPAWTDQMIJKEP-GVXVVHGQSA-N 1 0 345.796 4.357 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)c(OC)c1 ZINC000486792796 1036856108 /nfs/dbraw/zinc/85/61/08/1036856108.db2.gz HAJRNNNJTCPTAH-HXUWFJFHSA-N 1 0 336.435 4.221 20 30 EIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C12CCC2 ZINC000486802874 1036862725 /nfs/dbraw/zinc/86/27/25/1036862725.db2.gz XLIOSCWHFPYMIP-RBUKOAKNSA-N 1 0 326.484 4.267 20 30 EIEDRO C=CCOc1cccc(C[NH2+]CCc2c[nH]c3ccc(OC)cc23)c1 ZINC000603516456 1036872354 /nfs/dbraw/zinc/87/23/54/1036872354.db2.gz UCKZORBIAMRCHI-UHFFFAOYSA-N 1 0 336.435 4.074 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)ccc1C#N ZINC000593674185 1036872579 /nfs/dbraw/zinc/87/25/79/1036872579.db2.gz PEQSZRPWLOGYSC-QGZVFWFLSA-N 1 0 340.398 4.098 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000599093982 1036877449 /nfs/dbraw/zinc/87/74/49/1036877449.db2.gz XFQDXXDRJMWZOX-CGZBRXJRSA-N 1 0 341.282 4.479 20 30 EIEDRO CC[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593693054 1036894347 /nfs/dbraw/zinc/89/43/47/1036894347.db2.gz NBZZASGSAWSYAL-UWJYYQICSA-N 1 0 325.500 4.081 20 30 EIEDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc21 ZINC000593690026 1036895068 /nfs/dbraw/zinc/89/50/68/1036895068.db2.gz KUZNLYOFRYMMJP-VQTJNVASSA-N 1 0 348.446 4.218 20 30 EIEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695449 1036900661 /nfs/dbraw/zinc/90/06/61/1036900661.db2.gz PNYQRFHPSXULJN-SFTDATJTSA-N 1 0 325.500 4.081 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@@H]3CCCF)CC2)c1 ZINC000593725450 1036939501 /nfs/dbraw/zinc/93/95/01/1036939501.db2.gz LQYTZRHGHUXUDL-TZIWHRDSSA-N 1 0 343.490 4.031 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@@H]3CCCF)CC2)c1 ZINC000593725447 1036940465 /nfs/dbraw/zinc/94/04/65/1036940465.db2.gz LQYTZRHGHUXUDL-CTNGQTDRSA-N 1 0 343.490 4.031 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)cc1C#N ZINC000761335492 1036946221 /nfs/dbraw/zinc/94/62/21/1036946221.db2.gz SUXVSUAQSFYNBU-LJQANCHMSA-N 1 0 330.378 4.332 20 30 EIEDRO N#CCCn1cc(C[NH+]2CCC(C3CC3)CC2)c(-c2ccccc2)n1 ZINC000590052749 1036961674 /nfs/dbraw/zinc/96/16/74/1036961674.db2.gz KJPMSWCRTLBPSP-UHFFFAOYSA-N 1 0 334.467 4.086 20 30 EIEDRO CCC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000599348512 1036964312 /nfs/dbraw/zinc/96/43/12/1036964312.db2.gz FLFJXIMUFMTONN-BBRMVZONSA-N 1 0 341.282 4.479 20 30 EIEDRO COC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000599356609 1036965517 /nfs/dbraw/zinc/96/55/17/1036965517.db2.gz NKUODDLRVCLJHD-GOSISDBHSA-N 1 0 348.368 4.363 20 30 EIEDRO CCC(C#N)(CC)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000599489845 1037027524 /nfs/dbraw/zinc/02/75/24/1037027524.db2.gz FVUXDPXZYDNJEB-QGZVFWFLSA-N 1 0 341.499 4.096 20 30 EIEDRO N#CC1(CCC[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)CCOCC1 ZINC000599516130 1037044401 /nfs/dbraw/zinc/04/44/01/1037044401.db2.gz NYLHTSGQNCCVNN-KRWDZBQOSA-N 1 0 348.437 4.245 20 30 EIEDRO CC[NH+](CC)CCOc1ccc(CNc2cccc(F)c2C#N)cc1 ZINC000603859144 1037052573 /nfs/dbraw/zinc/05/25/73/1037052573.db2.gz DFNWJSFWMLNUJZ-UHFFFAOYSA-N 1 0 341.430 4.030 20 30 EIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1ccc(C#N)cc1F ZINC000603867263 1037063267 /nfs/dbraw/zinc/06/32/67/1037063267.db2.gz MWYSHALQXYRSFL-UHFFFAOYSA-N 1 0 332.806 4.252 20 30 EIEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1cc(F)c(Br)cc1F ZINC000599540889 1037066232 /nfs/dbraw/zinc/06/62/32/1037066232.db2.gz DBKJSWGJFHCNMY-VIFPVBQESA-N 1 0 331.204 4.318 20 30 EIEDRO COCC1CCC([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000590645920 1037130354 /nfs/dbraw/zinc/13/03/54/1037130354.db2.gz LWRMGFRVTLJZLH-UHFFFAOYSA-N 1 0 342.483 4.043 20 30 EIEDRO CC[C@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)ccc1OC ZINC000590662692 1037136514 /nfs/dbraw/zinc/13/65/14/1037136514.db2.gz WIGPGZNTIPRMRX-AWEZNQCLSA-N 1 0 342.414 4.173 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000590779892 1037163409 /nfs/dbraw/zinc/16/34/09/1037163409.db2.gz UWIVOETVAIVMOU-BAGYTPMASA-N 1 0 347.462 4.231 20 30 EIEDRO Cc1cc(Br)c(C[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000590781016 1037167714 /nfs/dbraw/zinc/16/77/14/1037167714.db2.gz LILOFMHVZRWLMR-HNNXBMFYSA-N 1 0 347.281 4.468 20 30 EIEDRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000590962112 1037215692 /nfs/dbraw/zinc/21/56/92/1037215692.db2.gz BTGBZTVZGFYJLA-KRWDZBQOSA-N 1 0 348.475 4.230 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(Nc3cccc(OCC#N)c3)CC2)C1 ZINC000272862962 1037314526 /nfs/dbraw/zinc/31/45/26/1037314526.db2.gz KXGRCPDVSSZCKH-QFBILLFUSA-N 1 0 327.472 4.044 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000604271886 1037324337 /nfs/dbraw/zinc/32/43/37/1037324337.db2.gz NPXZUNNDXKKVKF-MRXNPFEDSA-N 1 0 339.870 4.485 20 30 EIEDRO C[C@@H]1C[C@H](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC000273157749 1037368362 /nfs/dbraw/zinc/36/83/62/1037368362.db2.gz JRIXLURPEKGUSO-IGBVOLGGSA-N 1 0 326.484 4.185 20 30 EIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488138918 1037376286 /nfs/dbraw/zinc/37/62/86/1037376286.db2.gz YAHFBXRBKPRNQF-QGZVFWFLSA-N 1 0 325.481 4.395 20 30 EIEDRO CCN(Cc1ccccc1C#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000604490091 1037404129 /nfs/dbraw/zinc/40/41/29/1037404129.db2.gz ZJNSXWNZUYZQQN-AVRDEDQJSA-N 1 0 333.479 4.216 20 30 EIEDRO N#Cc1cccc(C[NH2+]CC2(c3c(F)cccc3F)CCCC2)c1 ZINC000604536810 1037428618 /nfs/dbraw/zinc/42/86/18/1037428618.db2.gz JPJMYKGRIMTDSH-UHFFFAOYSA-N 1 0 326.390 4.438 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cc(Br)ccc2Cl)cc1 ZINC000225257071 1037522287 /nfs/dbraw/zinc/52/22/87/1037522287.db2.gz FKKIRILGABMQQC-UHFFFAOYSA-N 1 0 335.632 4.264 20 30 EIEDRO CC(C)[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CS1 ZINC000488429434 1037590211 /nfs/dbraw/zinc/59/02/11/1037590211.db2.gz ISKWFVVPPZNZCH-CBJHCWRLSA-N 1 0 344.524 4.368 20 30 EIEDRO CC(C)Oc1ccccc1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000573615290 1037601716 /nfs/dbraw/zinc/60/17/16/1037601716.db2.gz NWINTQODSGJPMX-UHFFFAOYSA-N 1 0 349.478 4.104 20 30 EIEDRO C=CCc1cc(C[NH2+]CC(C)(C)Cc2ccccc2)cc(OC)c1O ZINC000605008879 1037617561 /nfs/dbraw/zinc/61/75/61/1037617561.db2.gz AXRJVPSCTAEGID-UHFFFAOYSA-N 1 0 339.479 4.488 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CSc3ccccc32)cc1OC ZINC000605166069 1037686168 /nfs/dbraw/zinc/68/61/68/1037686168.db2.gz PWZQIMSULWWRDF-MRXNPFEDSA-N 1 0 327.449 4.197 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503370026 1037714399 /nfs/dbraw/zinc/71/43/99/1037714399.db2.gz DKMBTQFPJVUCEO-ORAYPTAESA-N 1 0 326.827 4.245 20 30 EIEDRO C=CCC(C)(C)C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000488700153 1037721430 /nfs/dbraw/zinc/72/14/30/1037721430.db2.gz MXJTZHXBFUQHLR-UHFFFAOYSA-N 1 0 342.527 4.397 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503379318 1037727778 /nfs/dbraw/zinc/72/77/78/1037727778.db2.gz VJBFSFFMTPCYSL-KRWDZBQOSA-N 1 0 331.463 4.146 20 30 EIEDRO N#Cc1cnccc1C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000592122387 1037737673 /nfs/dbraw/zinc/73/76/73/1037737673.db2.gz LGSBXBCTVGVNCT-ROUUACIJSA-N 1 0 345.368 4.398 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1Cl)C(C)C ZINC000503440827 1037761805 /nfs/dbraw/zinc/76/18/05/1037761805.db2.gz VOMAMGZENDSXJW-QGZVFWFLSA-N 1 0 335.879 4.160 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2Br)C1 ZINC000592390743 1037792252 /nfs/dbraw/zinc/79/22/52/1037792252.db2.gz RICZWUYEZNTJQM-GWCFXTLKSA-N 1 0 327.653 4.274 20 30 EIEDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000592381058 1037792563 /nfs/dbraw/zinc/79/25/63/1037792563.db2.gz ZYVKFEVDONEMSM-FOIQADDNSA-N 1 0 338.476 4.121 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000503558726 1037818710 /nfs/dbraw/zinc/81/87/10/1037818710.db2.gz WYHDHXLXTTYPKK-ZDUSSCGKSA-N 1 0 334.341 4.350 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000488996961 1037830227 /nfs/dbraw/zinc/83/02/27/1037830227.db2.gz PBYSTLJTMIOPCQ-RBUKOAKNSA-N 1 0 326.827 4.140 20 30 EIEDRO Cc1cc(C[NH+]2CCC(c3ncccc3Cl)CC2)ccc1C#N ZINC000488979972 1037832603 /nfs/dbraw/zinc/83/26/03/1037832603.db2.gz MXRVPPKBXJDVGL-UHFFFAOYSA-N 1 0 325.843 4.295 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)cc1 ZINC000172117372 1037858034 /nfs/dbraw/zinc/85/80/34/1037858034.db2.gz LMFITJLKXUTJHB-UHFFFAOYSA-N 1 0 344.414 4.176 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)c([N+](=O)[O-])c1 ZINC000593035312 1037903632 /nfs/dbraw/zinc/90/36/32/1037903632.db2.gz OCRNYZOGBBJPLL-UHFFFAOYSA-N 1 0 341.798 4.289 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000503868362 1037948933 /nfs/dbraw/zinc/94/89/33/1037948933.db2.gz BCYHMNCHPZDFAM-KZNAEPCWSA-N 1 0 334.410 4.466 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000503925632 1038007862 /nfs/dbraw/zinc/00/78/62/1038007862.db2.gz DDPFRXJYWPJDPR-VZDIDWBNSA-N 1 0 334.410 4.140 20 30 EIEDRO C#CCCCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000150736093 1038025640 /nfs/dbraw/zinc/02/56/40/1038025640.db2.gz BNXWHQREUXOCNA-UHFFFAOYSA-N 1 0 334.872 4.269 20 30 EIEDRO Cc1cc(CNC(NCc2cccs2)=[NH+]C(C)(C)C)cc(C)c1O ZINC000912505614 1038031162 /nfs/dbraw/zinc/03/11/62/1038031162.db2.gz BBMOYMBBLMKMMC-UHFFFAOYSA-N 1 0 345.512 4.104 20 30 EIEDRO CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000423235048 1038054781 /nfs/dbraw/zinc/05/47/81/1038054781.db2.gz GDYFYTSPIWKXGJ-XOBRGWDASA-N 1 0 325.431 4.171 20 30 EIEDRO C=CC[N@H+](Cc1c(C)cccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000606433614 1038057546 /nfs/dbraw/zinc/05/75/46/1038057546.db2.gz QOMWUWRIQCZTIQ-GOSISDBHSA-N 1 0 347.466 4.028 20 30 EIEDRO C[C@H](CC1CCCC1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593704155 1038131651 /nfs/dbraw/zinc/13/16/51/1038131651.db2.gz YUJPGHVXQVCNJQ-QGZVFWFLSA-N 1 0 325.500 4.081 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)c2ccccc21 ZINC000593692014 1038152753 /nfs/dbraw/zinc/15/27/53/1038152753.db2.gz UUQDNKZYGNQGFG-QZTJIDSGSA-N 1 0 342.483 4.476 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc2cccnc21 ZINC000063300152 1038192356 /nfs/dbraw/zinc/19/23/56/1038192356.db2.gz WBLGJDQNBGGAAP-UHFFFAOYSA-N 1 0 331.394 4.434 20 30 EIEDRO C=CC[N@@H+](CCCOc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000063300553 1038197059 /nfs/dbraw/zinc/19/70/59/1038197059.db2.gz OTEYVOVSHAQKMB-UHFFFAOYSA-N 1 0 336.435 4.024 20 30 EIEDRO CCc1csc(CC2CC[NH+](Cc3ccc(C#N)s3)CC2)n1 ZINC000594020212 1038214442 /nfs/dbraw/zinc/21/44/42/1038214442.db2.gz WRPCRWWMBVYRMR-UHFFFAOYSA-N 1 0 331.510 4.093 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)c(F)c1 ZINC000423431926 1038233408 /nfs/dbraw/zinc/23/34/08/1038233408.db2.gz IXDAAZGERVKIST-XIKOKIGWSA-N 1 0 339.414 4.233 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000594035375 1038257049 /nfs/dbraw/zinc/25/70/49/1038257049.db2.gz RTIRTWAGCNRQEO-UHFFFAOYSA-N 1 0 332.325 4.236 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CCC(F)(F)CC1 ZINC000594043211 1038295639 /nfs/dbraw/zinc/29/56/39/1038295639.db2.gz HJNMFQKLKRBGQD-LLVKDONJSA-N 1 0 344.352 4.463 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NCc1ccccc1C[NH+]1CCCC1 ZINC000912780910 1038302905 /nfs/dbraw/zinc/30/29/05/1038302905.db2.gz MAAHLAQLTJPYAS-HAHDFKILSA-N 1 0 345.446 4.155 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(CSC2CCCC2)c1 ZINC000594432844 1038332914 /nfs/dbraw/zinc/33/29/14/1038332914.db2.gz GXDNRWUJOZAHEJ-SFHVURJKSA-N 1 0 345.512 4.212 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490076750 1038334310 /nfs/dbraw/zinc/33/43/10/1038334310.db2.gz CCXBESNROLXOSG-SFHVURJKSA-N 1 0 349.478 4.414 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000594502149 1038349001 /nfs/dbraw/zinc/34/90/01/1038349001.db2.gz XVWOFNMLKQQEID-DYESRHJHSA-N 1 0 335.495 4.269 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499956 1038349568 /nfs/dbraw/zinc/34/95/68/1038349568.db2.gz IFYBBXVULOJHPM-QRWLVFNGSA-N 1 0 340.442 4.493 20 30 EIEDRO CN(C)C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 ZINC000594506759 1038351420 /nfs/dbraw/zinc/35/14/20/1038351420.db2.gz XUCKYOSYJKXIRF-HXUWFJFHSA-N 1 0 339.458 4.019 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)CCC2 ZINC000594503605 1038352003 /nfs/dbraw/zinc/35/20/03/1038352003.db2.gz ZXHTWEQZXMCZEW-LEWJYISDSA-N 1 0 348.446 4.485 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000594504566 1038352150 /nfs/dbraw/zinc/35/21/50/1038352150.db2.gz PISAJPMWOXXSBT-XOBRGWDASA-N 1 0 334.419 4.073 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594520175 1038360676 /nfs/dbraw/zinc/36/06/76/1038360676.db2.gz IJUNVPCTRZMORW-BQJWPVKWSA-N 1 0 334.504 4.051 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594520178 1038360687 /nfs/dbraw/zinc/36/06/87/1038360687.db2.gz IJUNVPCTRZMORW-ZOFXXKQRSA-N 1 0 334.504 4.051 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594520177 1038361201 /nfs/dbraw/zinc/36/12/01/1038361201.db2.gz IJUNVPCTRZMORW-QUSNUVHPSA-N 1 0 334.504 4.051 20 30 EIEDRO CC1CC[NH+](Cc2ccc(-c3noc(CCCCC#N)n3)cc2)CC1 ZINC000594532877 1038365287 /nfs/dbraw/zinc/36/52/87/1038365287.db2.gz GBRGQRYCPYRPSP-UHFFFAOYSA-N 1 0 338.455 4.205 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000594616249 1038382667 /nfs/dbraw/zinc/38/26/67/1038382667.db2.gz UIZZMROGPIQMGO-SJORKVTESA-N 1 0 338.373 4.014 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1SC)Cc1ccccc1 ZINC000063494739 1038394733 /nfs/dbraw/zinc/39/47/33/1038394733.db2.gz BIFXSMGWJLMDSB-UHFFFAOYSA-N 1 0 340.492 4.425 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H]3CCCO[C@@H]3c3ccccc3)cc2)CC1 ZINC000594918677 1038424315 /nfs/dbraw/zinc/42/43/15/1038424315.db2.gz RJARSSKUPRUPPY-RBBKRZOGSA-N 1 0 346.474 4.499 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3sccc3Br)cc2)CC1 ZINC000594919305 1038424530 /nfs/dbraw/zinc/42/45/30/1038424530.db2.gz HVRVSMHPPYXFDI-UHFFFAOYSA-N 1 0 347.281 4.356 20 30 EIEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000063524692 1038424692 /nfs/dbraw/zinc/42/46/92/1038424692.db2.gz IZCNBLNUNDBSBP-HXUWFJFHSA-N 1 0 333.435 4.032 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(OC(F)F)cc3)cc2)CC1 ZINC000594926812 1038430555 /nfs/dbraw/zinc/43/05/55/1038430555.db2.gz ZSZOTJHAHHDIIS-UHFFFAOYSA-N 1 0 328.362 4.133 20 30 EIEDRO Cn1c(C[NH2+]C(C)(C)c2cccc(C#N)c2)nc2cc(Cl)ccc21 ZINC000594969492 1038484357 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N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000424117680 1038596174 /nfs/dbraw/zinc/59/61/74/1038596174.db2.gz CWLCAYQYXXFDFI-SFHVURJKSA-N 1 0 345.512 4.212 20 30 EIEDRO N#CCCn1cc(C(=O)C[N@@H+]2CCC3(CCCC3)C2)c2ccccc21 ZINC000173823983 1038697764 /nfs/dbraw/zinc/69/77/64/1038697764.db2.gz RQQIBUDBEZCROW-UHFFFAOYSA-N 1 0 335.451 4.004 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000424165753 1038707829 /nfs/dbraw/zinc/70/78/29/1038707829.db2.gz BBSNEWQBCCZYJY-WOPDTQHZSA-N 1 0 330.291 4.061 20 30 EIEDRO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000424188905 1038731086 /nfs/dbraw/zinc/73/10/86/1038731086.db2.gz CRRLZPRCMKZSHO-FUHWJXTLSA-N 1 0 346.434 4.223 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000424206059 1038740555 /nfs/dbraw/zinc/74/05/55/1038740555.db2.gz WPCBLEKHGBRCTA-QWHCGFSZSA-N 1 0 327.409 4.105 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(SCC(F)F)cc1 ZINC000424291961 1038769877 /nfs/dbraw/zinc/76/98/77/1038769877.db2.gz FRZACKPOUDZUDU-INWMFGNUSA-N 1 0 327.440 4.286 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000424296443 1038771665 /nfs/dbraw/zinc/77/16/65/1038771665.db2.gz ONPJYELIAPKRRR-FFSVYQOJSA-N 1 0 334.510 4.422 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000424292961 1038772806 /nfs/dbraw/zinc/77/28/06/1038772806.db2.gz HVCWMIVEEAKKAC-BPUTZDHNSA-N 1 0 345.430 4.290 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000424296889 1038773532 /nfs/dbraw/zinc/77/35/32/1038773532.db2.gz POGFKIMHXIWVEE-IHPCNDPISA-N 1 0 342.870 4.200 20 30 EIEDRO CC[C@@](C)([NH2+]CCCOc1ccc(C#N)cc1)c1nc(C)cs1 ZINC000173943662 1038796638 /nfs/dbraw/zinc/79/66/38/1038796638.db2.gz BOQBKOSNSOZYJT-GOSISDBHSA-N 1 0 329.469 4.007 20 30 EIEDRO CN1Cc2ccccc2[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000539056000 1038803614 /nfs/dbraw/zinc/80/36/14/1038803614.db2.gz ROWOSGKVXGZNQN-APKLWFBNSA-N 1 0 345.490 4.167 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000424324827 1038805643 /nfs/dbraw/zinc/80/56/43/1038805643.db2.gz KGAXDMXAIUQDAC-MJEQTWJJSA-N 1 0 333.273 4.052 20 30 EIEDRO C=CCC1(NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCCC1 ZINC000667196332 1038810810 /nfs/dbraw/zinc/81/08/10/1038810810.db2.gz UVGWLUZZVMQJLU-SFHVURJKSA-N 1 0 327.472 4.246 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)c(Cl)c1 ZINC000424308408 1038814530 /nfs/dbraw/zinc/81/45/30/1038814530.db2.gz ABTPBRQEMGNXEE-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](c2ccc(Br)s2)C2CC2)C1 ZINC000424337066 1038828205 /nfs/dbraw/zinc/82/82/05/1038828205.db2.gz YSBAZVVHQZNKGW-PXWWUCIGSA-N 1 0 325.275 4.244 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000539089576 1038831860 /nfs/dbraw/zinc/83/18/60/1038831860.db2.gz FUWZCTFAVCFZCB-HXUWFJFHSA-N 1 0 342.527 4.335 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cccc(F)c2)ccc1OC ZINC000174091531 1038841441 /nfs/dbraw/zinc/84/14/41/1038841441.db2.gz FCFLFALAPBYAAU-KSSFIOAISA-N 1 0 342.414 4.366 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000505025276 1038889228 /nfs/dbraw/zinc/88/92/28/1038889228.db2.gz ZWTQZJGKWGASKV-LJQANCHMSA-N 1 0 341.499 4.001 20 30 EIEDRO N#C[C@@H]1CCC[C@H]1[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000462068892 1038889492 /nfs/dbraw/zinc/88/94/92/1038889492.db2.gz XFXVBUMCGGPUFD-LAUBAEHRSA-N 1 0 340.417 4.400 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000505041163 1038894607 /nfs/dbraw/zinc/89/46/07/1038894607.db2.gz ZBJSXYQRUQEWGW-UHFFFAOYSA-N 1 0 329.488 4.047 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000539243432 1038899271 /nfs/dbraw/zinc/89/92/71/1038899271.db2.gz IDBIFICPJRVIGO-MRXNPFEDSA-N 1 0 343.430 4.391 20 30 EIEDRO C=CCCC1(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000555177239 1038934709 /nfs/dbraw/zinc/93/47/09/1038934709.db2.gz MMCPCHZXLOSZRY-HXUWFJFHSA-N 1 0 340.511 4.151 20 30 EIEDRO CCCOc1ccc(F)cc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001212195377 1038954646 /nfs/dbraw/zinc/95/46/46/1038954646.db2.gz NEIBPALXVILYCV-UHFFFAOYSA-N 1 0 345.443 4.279 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1F ZINC000174430275 1038955845 /nfs/dbraw/zinc/95/58/45/1038955845.db2.gz GMYPMNSFYIJFHC-OAHLLOKOSA-N 1 0 325.431 4.394 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N[C@@H](C)CC)c1ccc(C(F)(F)F)cc1 ZINC000539331350 1038978474 /nfs/dbraw/zinc/97/84/74/1038978474.db2.gz JBVUWTXEWPNPIW-XJKSGUPXSA-N 1 0 342.405 4.217 20 30 EIEDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000539360141 1038994884 /nfs/dbraw/zinc/99/48/84/1038994884.db2.gz OETIWNIXHFDOOE-LJQANCHMSA-N 1 0 341.499 4.015 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000174587779 1038998784 /nfs/dbraw/zinc/99/87/84/1038998784.db2.gz NCYHKFZMUQBTRN-CABCVRRESA-N 1 0 344.842 4.188 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c(Br)c1 ZINC000481058522 1039001254 /nfs/dbraw/zinc/00/12/54/1039001254.db2.gz OLNIEOGJBBIHMS-QGZVFWFLSA-N 1 0 341.252 4.138 20 30 EIEDRO C#CCCC[NH2+]Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000174612059 1039008980 /nfs/dbraw/zinc/00/89/80/1039008980.db2.gz SLUIBJUMILJMCM-UHFFFAOYSA-N 1 0 326.827 4.095 20 30 EIEDRO C#CCCC[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000174611355 1039009268 /nfs/dbraw/zinc/00/92/68/1039009268.db2.gz IQGVQUDLNNTWBY-UHFFFAOYSA-N 1 0 326.827 4.095 20 30 EIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000539379818 1039039550 /nfs/dbraw/zinc/03/95/50/1039039550.db2.gz GZOFGTYVSGYZIV-IBGZPJMESA-N 1 0 338.451 4.452 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000539388578 1039047261 /nfs/dbraw/zinc/04/72/61/1039047261.db2.gz OXTVKOPNMMHRJO-QGZVFWFLSA-N 1 0 331.504 4.025 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000552048592 1039070462 /nfs/dbraw/zinc/07/04/62/1039070462.db2.gz XNSKFFHUNSXCJP-SJORKVTESA-N 1 0 334.410 4.458 20 30 EIEDRO N#Cc1cncc(C[NH2+]C2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC001168335733 1039082207 /nfs/dbraw/zinc/08/22/07/1039082207.db2.gz OHGGXSVKXZLOPY-UHFFFAOYSA-N 1 0 325.843 4.423 20 30 EIEDRO [NH2+]=C(NC1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cn1 ZINC001168336963 1039129221 /nfs/dbraw/zinc/12/92/21/1039129221.db2.gz JATSIDULZWXSMK-UHFFFAOYSA-N 1 0 331.822 4.306 20 30 EIEDRO C[C@](O)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCCCC1 ZINC000477868591 1039140968 /nfs/dbraw/zinc/14/09/68/1039140968.db2.gz XNTPVQDXTSIXIB-ORFBVSJDSA-N 1 0 340.511 4.311 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477863521 1039143145 /nfs/dbraw/zinc/14/31/45/1039143145.db2.gz OVPVBYFTBTUELM-MRXNPFEDSA-N 1 0 344.480 4.431 20 30 EIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477863416 1039143588 /nfs/dbraw/zinc/14/35/88/1039143588.db2.gz SMLYAMSRLBMXFE-ZIAGYGMSSA-N 1 0 344.480 4.287 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1Cl ZINC000552129103 1039184528 /nfs/dbraw/zinc/18/45/28/1039184528.db2.gz BKPZXTIPOCIFDY-LJQANCHMSA-N 1 0 347.886 4.296 20 30 EIEDRO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000481270489 1039201354 /nfs/dbraw/zinc/20/13/54/1039201354.db2.gz RCDTYIANMSJUBP-VXGBXAGGSA-N 1 0 329.271 4.067 20 30 EIEDRO Cc1c(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)oc2ccc(F)cc12 ZINC000237498248 1039202878 /nfs/dbraw/zinc/20/28/78/1039202878.db2.gz CMTXXOGVINMXCO-ZDUSSCGKSA-N 1 0 338.382 4.461 20 30 EIEDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665564 1039274314 /nfs/dbraw/zinc/27/43/14/1039274314.db2.gz YTIYFCAVHLNUES-DNVCBOLYSA-N 1 0 339.414 4.177 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC000600111419 1039285706 /nfs/dbraw/zinc/28/57/06/1039285706.db2.gz CKYUGHQGHUFNIU-UHFFFAOYSA-N 1 0 331.419 4.083 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)ncc1Br ZINC000600167794 1039339382 /nfs/dbraw/zinc/33/93/82/1039339382.db2.gz YGOGTUNHMNNYND-CYBMUJFWSA-N 1 0 344.256 4.217 20 30 EIEDRO C=CCC[C@H](O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478026939 1039350526 /nfs/dbraw/zinc/35/05/26/1039350526.db2.gz KQGSDCSVABJYCI-HNNXBMFYSA-N 1 0 325.374 4.122 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000552280609 1039358142 /nfs/dbraw/zinc/35/81/42/1039358142.db2.gz MNJAVMRKWPNNIL-IJEWVQPXSA-N 1 0 331.378 4.360 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC000481394936 1039380021 /nfs/dbraw/zinc/38/00/21/1039380021.db2.gz YEONQBHFJIYARK-KPZWWZAWSA-N 1 0 332.806 4.217 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000555593377 1039400199 /nfs/dbraw/zinc/40/01/99/1039400199.db2.gz KDXSCCLNFCICLE-UHFFFAOYSA-N 1 0 325.378 4.284 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000555591199 1039400986 /nfs/dbraw/zinc/40/09/86/1039400986.db2.gz RZNNTJWSAGYHPG-UHFFFAOYSA-N 1 0 331.378 4.328 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000481497480 1039522208 /nfs/dbraw/zinc/52/22/08/1039522208.db2.gz QXOHUPAFAYNMJR-KPZWWZAWSA-N 1 0 332.806 4.217 20 30 EIEDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000534530558 1039541988 /nfs/dbraw/zinc/54/19/88/1039541988.db2.gz FQMSXBHOFVUNJD-QGZVFWFLSA-N 1 0 331.341 4.176 20 30 EIEDRO CCC[N@@H+](Cc1cccc(OCCCC#N)c1)C[C@H]1CCCCO1 ZINC000093132378 1039632026 /nfs/dbraw/zinc/63/20/26/1039632026.db2.gz YTSSMACKCMCBRT-HXUWFJFHSA-N 1 0 330.472 4.150 20 30 EIEDRO C=C(C)CN(CC)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060566480 1039677911 /nfs/dbraw/zinc/67/79/11/1039677911.db2.gz BRKQKINZGBOZME-UHFFFAOYSA-N 1 0 343.515 4.170 20 30 EIEDRO C=CCC1(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000478347552 1039684936 /nfs/dbraw/zinc/68/49/36/1039684936.db2.gz WSUFCRBSBCCTCW-AZUAARDMSA-N 1 0 340.511 4.150 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000093533641 1039712273 /nfs/dbraw/zinc/71/22/73/1039712273.db2.gz YBPDCBRIJOKBQV-UHFFFAOYSA-N 1 0 326.440 4.067 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000093533556 1039712912 /nfs/dbraw/zinc/71/29/12/1039712912.db2.gz VYJFYCCBRHDNFW-UHFFFAOYSA-N 1 0 326.440 4.067 20 30 EIEDRO C=C[C@H](Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1)c1ccccc1 ZINC000534692668 1039719800 /nfs/dbraw/zinc/71/98/00/1039719800.db2.gz RGUCWHDWXUQVBN-QGZVFWFLSA-N 1 0 333.435 4.311 20 30 EIEDRO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CCCCc3cc(C#N)ccc31)CC2 ZINC000481675785 1039728201 /nfs/dbraw/zinc/72/82/01/1039728201.db2.gz IKCZVPJMKDESLG-TZIWHRDSSA-N 1 0 348.494 4.250 20 30 EIEDRO COC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000481676325 1039731389 /nfs/dbraw/zinc/73/13/89/1039731389.db2.gz ZVJXYQMSCOHILU-RTWAWAEBSA-N 1 0 338.426 4.442 20 30 EIEDRO C[C@H](O)C[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000481678823 1039736714 /nfs/dbraw/zinc/73/67/14/1039736714.db2.gz QMHMNJGQAPJMRH-AMHTUMDSSA-N 1 0 348.490 4.470 20 30 EIEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000434770278 1039865417 /nfs/dbraw/zinc/86/54/17/1039865417.db2.gz ZMZNIBNTTVNTIA-KUQKPQIMSA-N 1 0 327.472 4.058 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccc(F)cc1 ZINC000434783493 1039868491 /nfs/dbraw/zinc/86/84/91/1039868491.db2.gz AWWDUDSXBKAZNJ-OAHLLOKOSA-N 1 0 339.414 4.109 20 30 EIEDRO N#Cc1ccc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534979914 1039873593 /nfs/dbraw/zinc/87/35/93/1039873593.db2.gz FNNNQPXTQSONAQ-UHFFFAOYSA-N 1 0 331.463 4.051 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)ccc1OC ZINC000556045226 1039885632 /nfs/dbraw/zinc/88/56/32/1039885632.db2.gz JENXYJPIMGCNFF-HNNXBMFYSA-N 1 0 343.389 4.424 20 30 EIEDRO C[C@@](CO)(C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000481999005 1039940809 /nfs/dbraw/zinc/94/08/09/1039940809.db2.gz FKFVFOSCSKRWMH-PKTZIBPZSA-N 1 0 348.490 4.157 20 30 EIEDRO C=C(C)[C@H](CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)OCC ZINC000535138778 1039994906 /nfs/dbraw/zinc/99/49/06/1039994906.db2.gz SBNXWNROFVDIEY-PXNSSMCTSA-N 1 0 344.499 4.228 20 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/nfs/dbraw/zinc/34/44/07/1040344407.db2.gz SAONQGSZTASPQI-UHFFFAOYSA-N 1 0 339.483 4.195 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000479521256 1040439594 /nfs/dbraw/zinc/43/95/94/1040439594.db2.gz BSKAJCVEURTAJV-AWEZNQCLSA-N 1 0 348.368 4.393 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508851402 1040449898 /nfs/dbraw/zinc/44/98/98/1040449898.db2.gz GZVXFDKGZOEZDJ-MJGOQNOKSA-N 1 0 331.504 4.066 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Br)s1 ZINC000443004652 1040467003 /nfs/dbraw/zinc/46/70/03/1040467003.db2.gz YDFUKVHKYFXDNP-MRVPVSSYSA-N 1 0 327.272 4.295 20 30 EIEDRO CC#CCC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000462319407 1040479467 /nfs/dbraw/zinc/47/94/67/1040479467.db2.gz YJYWNSVGOJWIGW-UHFFFAOYSA-N 1 0 326.267 4.388 20 30 EIEDRO C#CCN(Cc1cc(F)cc(F)c1OC)[C@@H]1CCc2ccccc21 ZINC001143560728 1040490908 /nfs/dbraw/zinc/49/09/08/1040490908.db2.gz CWFCLDTTWMTTQY-LJQANCHMSA-N 1 0 327.374 4.096 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(F)(F)F ZINC000479588388 1040496556 /nfs/dbraw/zinc/49/65/56/1040496556.db2.gz FQIHTXSRIUNQRE-AWEZNQCLSA-N 1 0 348.368 4.425 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000435750188 1040584105 /nfs/dbraw/zinc/58/41/05/1040584105.db2.gz XBSQKTNCZNPRBU-KNQAVFIVSA-N 1 0 337.463 4.433 20 30 EIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000539589284 1040594204 /nfs/dbraw/zinc/59/42/04/1040594204.db2.gz WKWVKIDKDOGIHG-ZDUSSCGKSA-N 1 0 327.255 4.386 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1ccc(C#N)c(F)c1 ZINC000539608686 1040604808 /nfs/dbraw/zinc/60/48/08/1040604808.db2.gz ZDRGXNZDHHYHDF-KBXCAEBGSA-N 1 0 341.405 4.156 20 30 EIEDRO COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(F)c(C#N)c2)c1 ZINC000160577267 1040612563 /nfs/dbraw/zinc/61/25/63/1040612563.db2.gz HLTZUUWBJHYMLS-LJQANCHMSA-N 1 0 340.398 4.052 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)cc1OC ZINC000551824546 1040617848 /nfs/dbraw/zinc/61/78/48/1040617848.db2.gz JJDYPUSVSSGMER-UHFFFAOYSA-N 1 0 343.389 4.424 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1OC ZINC000152853581 1040631171 /nfs/dbraw/zinc/63/11/71/1040631171.db2.gz ZBXYTHZAFLKHOF-UHFFFAOYSA-N 1 0 327.399 4.178 20 30 EIEDRO CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000553993294 1040687657 /nfs/dbraw/zinc/68/76/57/1040687657.db2.gz UBJWKFIIKDIYGC-SFHVURJKSA-N 1 0 339.464 4.031 20 30 EIEDRO CN(Cc1ccc(F)c(C#N)c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000477658815 1040693960 /nfs/dbraw/zinc/69/39/60/1040693960.db2.gz CCDJVHKVBJSKMR-OAQYLSRUSA-N 1 0 336.410 4.168 20 30 EIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)s2)C(C)(C)C)c(OC)c1 ZINC000551941138 1040711248 /nfs/dbraw/zinc/71/12/48/1040711248.db2.gz VTNPNTANDAYSMM-UHFFFAOYSA-N 1 0 344.480 4.438 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667566490 1040722354 /nfs/dbraw/zinc/72/23/54/1040722354.db2.gz HUAXOTBDNPJLHM-MOPGFXCFSA-N 1 0 341.499 4.049 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000667029012 1040731289 /nfs/dbraw/zinc/73/12/89/1040731289.db2.gz NDPVMFVVEFAYAU-INIZCTEOSA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667029641 1040734317 /nfs/dbraw/zinc/73/43/17/1040734317.db2.gz GKZLUPHLLMHCNW-UHFFFAOYSA-N 1 0 341.499 4.049 20 30 EIEDRO C[C@@H](NCc1cc(F)ccc1Br)c1ccc(C#N)cc1 ZINC000037996321 1040750552 /nfs/dbraw/zinc/75/05/52/1040750552.db2.gz IRIPZWBICCTAGV-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C=CCc1cc(C[NH2+]CC2(CCOC)CCCCC2)cc(OC)c1O ZINC000479866485 1040753413 /nfs/dbraw/zinc/75/34/13/1040753413.db2.gz SATOKFBXNYUVRO-UHFFFAOYSA-N 1 0 347.499 4.206 20 30 EIEDRO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1Cl ZINC000539817156 1040812109 /nfs/dbraw/zinc/81/21/09/1040812109.db2.gz BERGQBFFBRBOIN-RDJZCZTQSA-N 1 0 336.907 4.209 20 30 EIEDRO N#Cc1ccc(Cl)cc1NCc1ccccc1C[NH+]1CCCC1 ZINC000554186937 1040863454 /nfs/dbraw/zinc/86/34/54/1040863454.db2.gz WRYIVAWBQICDOK-UHFFFAOYSA-N 1 0 325.843 4.420 20 30 EIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000539882877 1040863786 /nfs/dbraw/zinc/86/37/86/1040863786.db2.gz FNTJRHWNJJLLGU-GOSISDBHSA-N 1 0 347.821 4.083 20 30 EIEDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000926961134 1040881985 /nfs/dbraw/zinc/88/19/85/1040881985.db2.gz HZTBXSVYRFCOCU-CYBMUJFWSA-N 1 0 341.436 4.348 20 30 EIEDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000926961146 1040882360 /nfs/dbraw/zinc/88/23/60/1040882360.db2.gz HZTBXSVYRFCOCU-ZDUSSCGKSA-N 1 0 341.436 4.348 20 30 EIEDRO C=CCN(C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000537912097 1040890915 /nfs/dbraw/zinc/89/09/15/1040890915.db2.gz SVODKARMMQUMLB-KRWDZBQOSA-N 1 0 341.499 4.010 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2C[C@@H](OCC)C23CCC3)ccc1OC ZINC000462765599 1040902367 /nfs/dbraw/zinc/90/23/67/1040902367.db2.gz JDMXRKFCKIHXBG-VQTJNVASSA-N 1 0 345.483 4.087 20 30 EIEDRO Cc1cc(C[NH+]2CCC(CCC#N)CC2)sc1Br ZINC000515651742 1040952361 /nfs/dbraw/zinc/95/23/61/1040952361.db2.gz OEMMELNJNPPTDN-UHFFFAOYSA-N 1 0 327.291 4.335 20 30 EIEDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000537988331 1040965225 /nfs/dbraw/zinc/96/52/25/1040965225.db2.gz UBKYPVBYKIGWBB-ZDUSSCGKSA-N 1 0 343.496 4.350 20 30 EIEDRO C=Cc1ccc(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000462804666 1040970922 /nfs/dbraw/zinc/97/09/22/1040970922.db2.gz FBQNMXRJGKGZAW-UHFFFAOYSA-N 1 0 331.463 4.002 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)ccc1OC ZINC000480123523 1040978384 /nfs/dbraw/zinc/97/83/84/1040978384.db2.gz KVSLJZKWIBTMBE-XLIONFOSSA-N 1 0 347.499 4.333 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)c1 ZINC000462871243 1041034936 /nfs/dbraw/zinc/03/49/36/1041034936.db2.gz HAUNXZJVVHRFEM-CTYIDZIISA-N 1 0 347.281 4.418 20 30 EIEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1cccc(OC(F)F)c1 ZINC000538121510 1041055674 /nfs/dbraw/zinc/05/56/74/1041055674.db2.gz XFVVUQSZRWNNRI-AWEZNQCLSA-N 1 0 346.377 4.279 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000436292611 1041057487 /nfs/dbraw/zinc/05/74/87/1041057487.db2.gz SZGUFPSQTPJWAI-HSMVNMDESA-N 1 0 342.252 4.220 20 30 EIEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000425511219 1041066940 /nfs/dbraw/zinc/06/69/40/1041066940.db2.gz LBRWUAGHNVNPOR-UHFFFAOYSA-N 1 0 328.843 4.440 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000483930225 1041070813 /nfs/dbraw/zinc/07/08/13/1041070813.db2.gz OWLQAAJUJMTXBP-HNNXBMFYSA-N 1 0 326.415 4.159 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000436301951 1041072566 /nfs/dbraw/zinc/07/25/66/1041072566.db2.gz PUCZWOJQESHVJO-KNBMTAEXSA-N 1 0 333.472 4.116 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000436307444 1041078149 /nfs/dbraw/zinc/07/81/49/1041078149.db2.gz NOWULGQGIPHVCQ-QOKNQOGYSA-N 1 0 329.440 4.463 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000462906453 1041088725 /nfs/dbraw/zinc/08/87/25/1041088725.db2.gz BBYIJGAWIDPSGU-GOSISDBHSA-N 1 0 340.442 4.007 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000436319180 1041090423 /nfs/dbraw/zinc/09/04/23/1041090423.db2.gz ZMFWGTXEDDEXRU-KAHPBISDSA-N 1 0 325.905 4.464 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000436308184 1041094816 /nfs/dbraw/zinc/09/48/16/1041094816.db2.gz LZSXSAGTEBZNSY-BEVDRBHNSA-N 1 0 344.405 4.020 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000480273135 1041153266 /nfs/dbraw/zinc/15/32/66/1041153266.db2.gz GHTQEZKHWRCUJM-MSOLQXFVSA-N 1 0 347.384 4.341 20 30 EIEDRO CC[C@@H](CSc1ccc(C)c(C)c1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000480288420 1041165909 /nfs/dbraw/zinc/16/59/09/1041165909.db2.gz YOBNXIJDMGTHLL-KRWDZBQOSA-N 1 0 327.497 4.174 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+]CC=C(C)C)cc1OC ZINC000480280117 1041173525 /nfs/dbraw/zinc/17/35/25/1041173525.db2.gz BZXBAJPSHQPWKP-UHFFFAOYSA-N 1 0 340.261 4.078 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000540159969 1041191392 /nfs/dbraw/zinc/19/13/92/1041191392.db2.gz FCVIQOOELHAPRF-NYLDSWQDSA-N 1 0 338.495 4.472 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000538239548 1041193047 /nfs/dbraw/zinc/19/30/47/1041193047.db2.gz YVHQRLLQUPAPCO-MRXNPFEDSA-N 1 0 335.838 4.228 20 30 EIEDRO Clc1ccccc1C#CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000538233602 1041204577 /nfs/dbraw/zinc/20/45/77/1041204577.db2.gz UVVPODYILXAUPK-UTKZUKDTSA-N 1 0 339.866 4.449 20 30 EIEDRO COC1(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCCCC1 ZINC000480335655 1041219564 /nfs/dbraw/zinc/21/95/64/1041219564.db2.gz KSBPHKSTQXVJHV-UHFFFAOYSA-N 1 0 342.483 4.187 20 30 EIEDRO CC1(C)C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000484353541 1041222989 /nfs/dbraw/zinc/22/29/89/1041222989.db2.gz SXJFMCQUQNKDEY-MRXNPFEDSA-N 1 0 340.389 4.238 20 30 EIEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000540179021 1041239901 /nfs/dbraw/zinc/23/99/01/1041239901.db2.gz RYKFZNFEOZTKKI-ZDUSSCGKSA-N 1 0 342.277 4.301 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC[C@@H]2CCCC[C@@H]2O)CC1 ZINC000540163624 1041226614 /nfs/dbraw/zinc/22/66/14/1041226614.db2.gz OJFDCVOMQHSOJD-YOLZPYMBSA-N 1 0 340.511 4.311 20 30 EIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccsc3Cl)C2)c(F)c1 ZINC000480343068 1041233711 /nfs/dbraw/zinc/23/37/11/1041233711.db2.gz KMOTUJHELNBJMQ-CQSZACIVSA-N 1 0 349.862 4.171 20 30 EIEDRO Cn1cc(C[NH2+]C[C@@H](Cc2ccccc2)c2ccccc2)cc1C#N ZINC000480363633 1041247205 /nfs/dbraw/zinc/24/72/05/1041247205.db2.gz MBUOWCYCZKKCCU-OAQYLSRUSA-N 1 0 329.447 4.013 20 30 EIEDRO COc1ccccc1[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000540184428 1041249917 /nfs/dbraw/zinc/24/99/17/1041249917.db2.gz PBKINUTXRBKWPI-AWEZNQCLSA-N 1 0 333.353 4.416 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](CCC(C)C)C(C)(C)C)c(C#N)c1C ZINC000538391784 1041308061 /nfs/dbraw/zinc/30/80/61/1041308061.db2.gz UIOMEHMDQKCJQL-INIZCTEOSA-N 1 0 333.476 4.147 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000480484886 1041322896 /nfs/dbraw/zinc/32/28/96/1041322896.db2.gz YARZJXFPWNIWEG-HXUWFJFHSA-N 1 0 342.483 4.341 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1OC ZINC000540367077 1041418322 /nfs/dbraw/zinc/41/83/22/1041418322.db2.gz RFFDZMMOYOQTIN-OAHLLOKOSA-N 1 0 343.854 4.450 20 30 EIEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2Cl)C1 ZINC000463206670 1041420087 /nfs/dbraw/zinc/42/00/87/1041420087.db2.gz YVEOEJVGIYGSMS-JBCDFXQESA-N 1 0 346.902 4.363 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1 ZINC000540406362 1041435618 /nfs/dbraw/zinc/43/56/18/1041435618.db2.gz SBINVNAWANLMLT-MRXNPFEDSA-N 1 0 343.467 4.267 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000463242370 1041448786 /nfs/dbraw/zinc/44/87/86/1041448786.db2.gz HUCGWCAKTMAPBO-LEWJYISDSA-N 1 0 334.463 4.480 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000463243227 1041450206 /nfs/dbraw/zinc/45/02/06/1041450206.db2.gz BBENRCKLALYUBM-AHRSYUTCSA-N 1 0 333.435 4.038 20 30 EIEDRO C[C@H](NC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCC1)c1ccccc1 ZINC000463243827 1041451123 /nfs/dbraw/zinc/45/11/23/1041451123.db2.gz UMSBRPGUYCNXNZ-NSHGMRRFSA-N 1 0 325.500 4.322 20 30 EIEDRO Cn1cc(C[NH2+]CC2(c3ccc(F)cc3)CCCCC2)cc1C#N ZINC000480668510 1041462249 /nfs/dbraw/zinc/46/22/49/1041462249.db2.gz SVEHRKGFVYIHAF-UHFFFAOYSA-N 1 0 325.431 4.028 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000540433192 1041463588 /nfs/dbraw/zinc/46/35/88/1041463588.db2.gz OAASFELVRVZWHU-IBGZPJMESA-N 1 0 339.414 4.013 20 30 EIEDRO CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463281482 1041471203 /nfs/dbraw/zinc/47/12/03/1041471203.db2.gz KSMVQQSLSAOLFB-WMQCIHAUSA-N 1 0 339.527 4.131 20 30 EIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463281521 1041471343 /nfs/dbraw/zinc/47/13/43/1041471343.db2.gz KZSLWKGLBNLQCS-UKPHBRMFSA-N 1 0 335.289 4.442 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000463284799 1041474335 /nfs/dbraw/zinc/47/43/35/1041474335.db2.gz QQRTTZLRBUXFJW-JSGCOSHPSA-N 1 0 327.255 4.434 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(OC(F)(F)F)cc1 ZINC000484892504 1041492013 /nfs/dbraw/zinc/49/20/13/1041492013.db2.gz DYWWAIFFGNIJMC-NSHDSACASA-N 1 0 338.304 4.447 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000480712582 1041492552 /nfs/dbraw/zinc/49/25/52/1041492552.db2.gz UAXUOOLHGOIGCR-UHFFFAOYSA-N 1 0 343.833 4.427 20 30 EIEDRO CCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001270134875 1041510928 /nfs/dbraw/zinc/51/09/28/1041510928.db2.gz WSGSAUZNKXZXKY-KDURUIRLSA-N 1 0 345.531 4.046 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 ZINC000540591713 1041549368 /nfs/dbraw/zinc/54/93/68/1041549368.db2.gz KRHVSLHVUROLNX-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO CC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@@H](C)OC ZINC000463419673 1041556049 /nfs/dbraw/zinc/55/60/49/1041556049.db2.gz WRLKOARNEZHVBJ-LJQANCHMSA-N 1 0 336.479 4.243 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505901545 1041556110 /nfs/dbraw/zinc/55/61/10/1041556110.db2.gz SRHWNIDABMPOQX-SFHVURJKSA-N 1 0 334.463 4.389 20 30 EIEDRO C=C(C)CN1CCC([NH2+]C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000540603669 1041556710 /nfs/dbraw/zinc/55/67/10/1041556710.db2.gz GNJWIUFQXAMNMU-UHFFFAOYSA-N 1 0 328.500 4.049 20 30 EIEDRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000128067833 1041585568 /nfs/dbraw/zinc/58/55/68/1041585568.db2.gz ZJCJEUIHXVDKEF-KBPBESRZSA-N 1 0 341.842 4.280 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1Cl ZINC000540644735 1041585985 /nfs/dbraw/zinc/58/59/85/1041585985.db2.gz RDJJIISKNUCSEO-OAHLLOKOSA-N 1 0 337.891 4.183 20 30 EIEDRO C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(C#N)c(F)c1 ZINC000540707138 1041606458 /nfs/dbraw/zinc/60/64/58/1041606458.db2.gz PMGNBJSWZSDPHW-GFCCVEGCSA-N 1 0 325.362 4.211 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)c(F)c1 ZINC000540707834 1041608115 /nfs/dbraw/zinc/60/81/15/1041608115.db2.gz AQYMNIGWBQOXIC-CXAGYDPISA-N 1 0 343.833 4.280 20 30 EIEDRO C[C@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708110 1041608162 /nfs/dbraw/zinc/60/81/62/1041608162.db2.gz SYENMJCCLNFJRQ-IRXDYDNUSA-N 1 0 339.458 4.259 20 30 EIEDRO C[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc(C#N)c(F)c1 ZINC000540708103 1041608177 /nfs/dbraw/zinc/60/81/77/1041608177.db2.gz SDAJKMWISKLRBJ-QTJFZDIUSA-N 1 0 342.389 4.407 20 30 EIEDRO Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(C#N)c(F)c3)cn(C)c2c1 ZINC000437082275 1041628411 /nfs/dbraw/zinc/62/84/11/1041628411.db2.gz ZLOBOFSNQKOIIC-OAHLLOKOSA-N 1 0 335.426 4.391 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H]1C ZINC000437088410 1041648508 /nfs/dbraw/zinc/64/85/08/1041648508.db2.gz YBXJRLMVHJQOAL-CQVJONBTSA-N 1 0 327.472 4.058 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H]1C ZINC000437088413 1041649013 /nfs/dbraw/zinc/64/90/13/1041649013.db2.gz YBXJRLMVHJQOAL-ZBPHDNMCSA-N 1 0 327.472 4.058 20 30 EIEDRO N#Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)ccc1C(F)(F)F ZINC000463644046 1041685952 /nfs/dbraw/zinc/68/59/52/1041685952.db2.gz BMIYOYCKUXTAMH-UHFFFAOYSA-N 1 0 337.389 4.032 20 30 EIEDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000516670055 1041697256 /nfs/dbraw/zinc/69/72/56/1041697256.db2.gz LYMGIUTWCONUAL-MRXNPFEDSA-N 1 0 332.451 4.052 20 30 EIEDRO CC1(C#N)CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000506035453 1041768742 /nfs/dbraw/zinc/76/87/42/1041768742.db2.gz GUSLHWHRUNEOPA-UHFFFAOYSA-N 1 0 347.462 4.308 20 30 EIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000460350287 1041785696 /nfs/dbraw/zinc/78/56/96/1041785696.db2.gz JVAMRTRFXLAWAJ-ZBFHGGJFSA-N 1 0 333.501 4.124 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2)ccc1SC ZINC000090107555 1041833011 /nfs/dbraw/zinc/83/30/11/1041833011.db2.gz JNNJNPKUAYYLKG-AWEZNQCLSA-N 1 0 342.464 4.018 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cccc(-c2ccncc2)c1 ZINC000090107270 1041834019 /nfs/dbraw/zinc/83/40/19/1041834019.db2.gz WEMCKWZJNJJBHS-QGZVFWFLSA-N 1 0 343.430 4.350 20 30 EIEDRO Cn1cccc1[C@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000437639654 1041869673 /nfs/dbraw/zinc/86/96/73/1041869673.db2.gz JOLBEYBWACJKAM-GOSISDBHSA-N 1 0 348.368 4.112 20 30 EIEDRO Cc1c(Cl)cnc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C#N ZINC000541280115 1041871598 /nfs/dbraw/zinc/87/15/98/1041871598.db2.gz QUTKVZJZBLVKNH-MRXNPFEDSA-N 1 0 344.846 4.147 20 30 EIEDRO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)[C@@H](C)CO2)c1 ZINC000541348249 1041898574 /nfs/dbraw/zinc/89/85/74/1041898574.db2.gz BHJYFXUOKXZVJA-AVRDEDQJSA-N 1 0 334.463 4.332 20 30 EIEDRO Cc1cc(C2CC[NH+](CC3(C#N)CC3)CC2)ccc1Br ZINC000425917865 1041931880 /nfs/dbraw/zinc/93/18/80/1041931880.db2.gz MKMCJKPOFYYLBV-UHFFFAOYSA-N 1 0 333.273 4.241 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3cc(N)ccc32)cc1OC ZINC000414916555 1041947756 /nfs/dbraw/zinc/94/77/56/1041947756.db2.gz OTVWIUAPIMHDAP-IBGZPJMESA-N 1 0 338.451 4.009 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)C(CC)(CC)c2ccc(Cl)cc2)CC1 ZINC000517310781 1041951930 /nfs/dbraw/zinc/95/19/30/1041951930.db2.gz XUYQFMLYRROFDL-UHFFFAOYSA-N 1 0 348.918 4.164 20 30 EIEDRO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(C#N)s1 ZINC000151189864 1042085336 /nfs/dbraw/zinc/08/53/36/1042085336.db2.gz LKVZFSXENVBKKN-NSHDSACASA-N 1 0 335.270 4.103 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(C#N)cc1 ZINC000541847600 1042137058 /nfs/dbraw/zinc/13/70/58/1042137058.db2.gz FAMDRCIQHGOJGX-BBRMVZONSA-N 1 0 343.833 4.280 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)CC)cc1OCC ZINC000302838055 1042161733 /nfs/dbraw/zinc/16/17/33/1042161733.db2.gz QFFTVYJLPJHMDP-LBPRGKRZSA-N 1 0 342.277 4.301 20 30 EIEDRO N#CCC1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000541920711 1042173584 /nfs/dbraw/zinc/17/35/84/1042173584.db2.gz LYISTTXHVXPURD-UHFFFAOYSA-N 1 0 348.494 4.351 20 30 EIEDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000609144271 1042241117 /nfs/dbraw/zinc/24/11/17/1042241117.db2.gz GUGPCKYPNOQQGE-FQEVSTJZSA-N 1 0 348.446 4.143 20 30 EIEDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000609144273 1042261379 /nfs/dbraw/zinc/26/13/79/1042261379.db2.gz GUGPCKYPNOQQGE-HXUWFJFHSA-N 1 0 348.446 4.143 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1cccc(OC)c1)N1CCCC1)C1CC1 ZINC000439073611 1042485737 /nfs/dbraw/zinc/48/57/37/1042485737.db2.gz AFTQWOQDRPJZJG-RTWAWAEBSA-N 1 0 328.500 4.167 20 30 EIEDRO C[C@H](NCc1nc(C#N)cs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000518445220 1042521952 /nfs/dbraw/zinc/52/19/52/1042521952.db2.gz CRXPNLXNRIFYFP-AWEZNQCLSA-N 1 0 344.443 4.404 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000492107295 1042557229 /nfs/dbraw/zinc/55/72/29/1042557229.db2.gz OYPKWMPCFDPFSW-KUHUBIRLSA-N 1 0 329.465 4.105 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3ccccc3Br)CCC2)C1 ZINC000426326999 1042559648 /nfs/dbraw/zinc/55/96/48/1042559648.db2.gz OMDPJMMVFKNDQP-KGLIPLIRSA-N 1 0 333.273 4.153 20 30 EIEDRO N#Cc1ccc(C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000506552266 1042591574 /nfs/dbraw/zinc/59/15/74/1042591574.db2.gz DWBZOFREFGFETH-HYXAFXHYSA-N 1 0 333.391 4.144 20 30 EIEDRO Cc1ccccc1CN(C)Cc1cc(C#N)ccc1Br ZINC000492354755 1042615546 /nfs/dbraw/zinc/61/55/46/1042615546.db2.gz GIZGYRPMNWLQBI-UHFFFAOYSA-N 1 0 329.241 4.261 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000439435170 1042624742 /nfs/dbraw/zinc/62/47/42/1042624742.db2.gz UUULXPAPRIXQGP-CQSZACIVSA-N 1 0 336.826 4.248 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)cc1 ZINC000518769231 1042684122 /nfs/dbraw/zinc/68/41/22/1042684122.db2.gz HWTBLPJOXDAWCY-WIYYLYMNSA-N 1 0 338.426 4.149 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000506647819 1042732805 /nfs/dbraw/zinc/73/28/05/1042732805.db2.gz IOILIBGSMQYINY-UHFFFAOYSA-N 1 0 335.447 4.346 20 30 EIEDRO Cc1cc(CNc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000443995722 1042738857 /nfs/dbraw/zinc/73/88/57/1042738857.db2.gz HUAHZDLJGNPKTC-HDICACEKSA-N 1 0 349.478 4.088 20 30 EIEDRO COc1ccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)c2ccccc2OC)cc1 ZINC000518890392 1042740473 /nfs/dbraw/zinc/74/04/73/1042740473.db2.gz WYFBFTXDXWHCMH-WJPUGNRLSA-N 1 0 336.435 4.075 20 30 EIEDRO CCN(C[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1)CC(F)(F)F ZINC000929783549 1042750485 /nfs/dbraw/zinc/75/04/85/1042750485.db2.gz ZZBVLWXJCDCHMW-MRXNPFEDSA-N 1 0 345.453 4.057 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000177911450 1042854237 /nfs/dbraw/zinc/85/42/37/1042854237.db2.gz SAEVOOCILMCXKY-LBPRGKRZSA-N 1 0 344.833 4.242 20 30 EIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000133270919 1042861276 /nfs/dbraw/zinc/86/12/76/1042861276.db2.gz OCYWDLLRGHOMBU-IAGOWNOFSA-N 1 0 337.467 4.049 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000180935804 1042866524 /nfs/dbraw/zinc/86/65/24/1042866524.db2.gz CSBXBWFVDKIKIJ-UHFFFAOYSA-N 1 0 326.456 4.131 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)CC2CCC(c3ccccc3)CC2)CC1 ZINC000170982720 1042904359 /nfs/dbraw/zinc/90/43/59/1042904359.db2.gz RHIARXVPWXEMIF-UHFFFAOYSA-N 1 0 340.511 4.117 20 30 EIEDRO Cc1ccccc1C1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000237203286 1042929695 /nfs/dbraw/zinc/92/96/95/1042929695.db2.gz MRDVPYIGRVMFNW-UHFFFAOYSA-N 1 0 333.479 4.166 20 30 EIEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000493571984 1042931916 /nfs/dbraw/zinc/93/19/16/1042931916.db2.gz IZUGQMCNMJWUCX-AEFFLSMTSA-N 1 0 338.455 4.303 20 30 EIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895100955 1042988636 /nfs/dbraw/zinc/98/86/36/1042988636.db2.gz GEVSUVUFTCEKBE-CQSZACIVSA-N 1 0 334.485 4.330 20 30 EIEDRO C[C@@H]1CC(N[C@@H](C#N)c2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006624 1043004594 /nfs/dbraw/zinc/00/45/94/1043004594.db2.gz NVCPRQJQHVSDIO-HMFYCAOWSA-N 1 0 333.479 4.282 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1 ZINC000507801267 1043013665 /nfs/dbraw/zinc/01/36/65/1043013665.db2.gz JGFAHPHPZFMDRI-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[NH+](C1CCC1)C1CCC1 ZINC000429135251 1043062194 /nfs/dbraw/zinc/06/21/94/1043062194.db2.gz MTTUJKMIBFGJAC-UHFFFAOYSA-N 1 0 330.497 4.310 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1Oc1cccnc1 ZINC000112374132 1043093968 /nfs/dbraw/zinc/09/39/68/1043093968.db2.gz SHAHVJFLSKJDFH-UHFFFAOYSA-N 1 0 347.393 4.483 20 30 EIEDRO N#Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000310369820 1043129513 /nfs/dbraw/zinc/12/95/13/1043129513.db2.gz SNLBJBMMYAVXMP-MRXNPFEDSA-N 1 0 345.368 4.263 20 30 EIEDRO CSCCCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000076764828 1043145662 /nfs/dbraw/zinc/14/56/62/1043145662.db2.gz IRLCLDZUKHJFJP-UHFFFAOYSA-N 1 0 340.492 4.370 20 30 EIEDRO COc1ccc(Oc2cc(C[NH2+][C@H]3CCC[C@H](C#N)C3)ccn2)cc1 ZINC000185784950 1043219533 /nfs/dbraw/zinc/21/95/33/1043219533.db2.gz ZBMFMXZCYZRAMK-RDJZCZTQSA-N 1 0 337.423 4.054 20 30 EIEDRO COc1ccc([C@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)cc1 ZINC000487406454 1043241231 /nfs/dbraw/zinc/24/12/31/1043241231.db2.gz KHVPAHMWSPLDHH-SFHVURJKSA-N 1 0 334.463 4.486 20 30 EIEDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)CCCC2(C#N)CCOCC2)C1(C)C ZINC000499554317 1043264438 /nfs/dbraw/zinc/26/44/38/1043264438.db2.gz UEQIVLCAENJJFN-QZTJIDSGSA-N 1 0 336.520 4.003 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CCc2cccc(C#N)c2)ccc1SC ZINC000467432838 1043272876 /nfs/dbraw/zinc/27/28/76/1043272876.db2.gz FPSXYNMZNHLBKH-AWEZNQCLSA-N 1 0 326.465 4.182 20 30 EIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1c(C)cc(C#N)cc1C)CCO2 ZINC000922013034 1043303075 /nfs/dbraw/zinc/30/30/75/1043303075.db2.gz OPKWVKJOZGMMKA-FQEVSTJZSA-N 1 0 336.435 4.187 20 30 EIEDRO C=CCN1CC[C@H]([NH2+][C@H](CCC)c2ccc(Cl)c(Cl)c2)C1=O ZINC000499602074 1043397529 /nfs/dbraw/zinc/39/75/29/1043397529.db2.gz JCKVZTCVJXEWJO-CVEARBPZSA-N 1 0 341.282 4.211 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000730125645 1043447329 /nfs/dbraw/zinc/44/73/29/1043447329.db2.gz YVAYJFGKEBNZFJ-UHFFFAOYSA-N 1 0 349.434 4.358 20 30 EIEDRO C[C@H](CCc1ccccc1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000609195566 1043447355 /nfs/dbraw/zinc/44/73/55/1043447355.db2.gz XFZLAHHASNFSTD-GOSISDBHSA-N 1 0 334.463 4.423 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCC1(C#N)CCOCC1 ZINC000499626608 1043497768 /nfs/dbraw/zinc/49/77/68/1043497768.db2.gz PUXDPUIJJFSAON-MRXNPFEDSA-N 1 0 326.440 4.492 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000494505726 1043505842 /nfs/dbraw/zinc/50/58/42/1043505842.db2.gz PFCNXSCGAHDNQI-QZTJIDSGSA-N 1 0 347.245 4.485 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494483037 1043513069 /nfs/dbraw/zinc/51/30/69/1043513069.db2.gz HIUYTBRUINATDR-QZTJIDSGSA-N 1 0 347.245 4.485 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CCc2cccc(C#N)c2)ccc1OC(F)F ZINC000467443457 1043719949 /nfs/dbraw/zinc/71/99/49/1043719949.db2.gz KLQLWCATLDHNCB-ZDUSSCGKSA-N 1 0 346.377 4.062 20 30 EIEDRO CCOc1cccc(/C=N/C[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1O ZINC000731488645 1043765495 /nfs/dbraw/zinc/76/54/95/1043765495.db2.gz OALGGXMQFUVFHM-KWJZBXMYSA-N 1 0 344.499 4.255 20 30 EIEDRO CCOc1ccc([C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C(C)C)cc1OCC ZINC000442646465 1043795877 /nfs/dbraw/zinc/79/58/77/1043795877.db2.gz KCRYCGVEFZXLBI-RIFZZMRRSA-N 1 0 330.472 4.463 20 30 EIEDRO CC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)Cc1cccc(Br)c1 ZINC000442783931 1043834749 /nfs/dbraw/zinc/83/47/49/1043834749.db2.gz UVXXZVQNFLUYPG-JLJPHGGASA-N 1 0 335.289 4.300 20 30 EIEDRO N#Cc1c(C[N@@H+](Cc2ccccc2O)C2CCCC2)cn2ccccc12 ZINC000731846112 1043834868 /nfs/dbraw/zinc/83/48/68/1043834868.db2.gz SGFWDZKMIDRZKU-UHFFFAOYSA-N 1 0 345.446 4.461 20 30 EIEDRO C=CCc1cc(C[NH2+]CC2(c3ccccc3C)CC2)cc(OC)c1O ZINC000521584403 1043838550 /nfs/dbraw/zinc/83/85/50/1043838550.db2.gz HIWARXRXQOHUBD-UHFFFAOYSA-N 1 0 337.463 4.259 20 30 EIEDRO C[C@@H](C/N=C\c1c(O)ccc2ccccc21)[N@H+](C)Cc1ccccc1 ZINC000731937321 1043850638 /nfs/dbraw/zinc/85/06/38/1043850638.db2.gz JBAPUQQYOPHVIU-XYLCRUHJSA-N 1 0 332.447 4.485 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000521595663 1043853947 /nfs/dbraw/zinc/85/39/47/1043853947.db2.gz BYSGIOSKGYGEOF-JSGCOSHPSA-N 1 0 334.460 4.093 20 30 EIEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)Sc1ccc(Br)cc1 ZINC000442872963 1043871266 /nfs/dbraw/zinc/87/12/66/1043871266.db2.gz OGWWBRIWNFFTGX-MBNYWOFBSA-N 1 0 339.302 4.212 20 30 EIEDRO COc1cc(C[N@H+](CC(C)C)[C@H]2CCCc3cccnc32)ccc1C#N ZINC000442858975 1043878223 /nfs/dbraw/zinc/87/82/23/1043878223.db2.gz WDJMGIYTSYFJKF-FQEVSTJZSA-N 1 0 349.478 4.497 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000732213026 1043885601 /nfs/dbraw/zinc/88/56/01/1043885601.db2.gz YBNIXYDCPXRORR-QGZVFWFLSA-N 1 0 326.827 4.232 20 30 EIEDRO C[C@@H](O)C[N@H+](Cc1cc(C#N)cs1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000442967267 1043927462 /nfs/dbraw/zinc/92/74/62/1043927462.db2.gz ORKGXAJLOASTOO-UONOGXRCSA-N 1 0 348.899 4.087 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000011047464 1043943828 /nfs/dbraw/zinc/94/38/28/1043943828.db2.gz WGHHVHPFHUUAOK-CXAGYDPISA-N 1 0 341.842 4.280 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CC)Cc2ccccc2)cc1OC ZINC000521832754 1044002609 /nfs/dbraw/zinc/00/26/09/1044002609.db2.gz QAEFWBZRWVXQID-LJQANCHMSA-N 1 0 325.452 4.371 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000732986218 1044058802 /nfs/dbraw/zinc/05/88/02/1044058802.db2.gz IGLWNYMCNFVGHI-IBGZPJMESA-N 1 0 328.362 4.204 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000425364623 1044058838 /nfs/dbraw/zinc/05/88/38/1044058838.db2.gz GTHGIXMKWUTUNM-LBPRGKRZSA-N 1 0 334.341 4.492 20 30 EIEDRO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000732986572 1044061176 /nfs/dbraw/zinc/06/11/76/1044061176.db2.gz MLHSHLCVFPJASS-LJQANCHMSA-N 1 0 328.362 4.052 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc(CC#N)cc4)C3)nc2c1 ZINC000543196928 1044086450 /nfs/dbraw/zinc/08/64/50/1044086450.db2.gz JNROSPRHPRJHLW-LJQANCHMSA-N 1 0 344.462 4.317 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ccc(CC#N)cc4)C3)nc2c1 ZINC000543196925 1044086590 /nfs/dbraw/zinc/08/65/90/1044086590.db2.gz JNROSPRHPRJHLW-IBGZPJMESA-N 1 0 344.462 4.317 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443309206 1044174801 /nfs/dbraw/zinc/17/48/01/1044174801.db2.gz GJJSCPTWUVOWCT-UHFFFAOYSA-N 1 0 326.484 4.411 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000733327388 1044192807 /nfs/dbraw/zinc/19/28/07/1044192807.db2.gz UZUNKOYIXSJURF-UHFFFAOYSA-N 1 0 345.364 4.496 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000245831421 1044195831 /nfs/dbraw/zinc/19/58/31/1044195831.db2.gz BSRTZQCPEIETDD-RQUSPXKASA-N 1 0 328.362 4.017 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1ccc(C#N)s1 ZINC000245895236 1044205206 /nfs/dbraw/zinc/20/52/06/1044205206.db2.gz MXHSOBDEAZKEAB-SUNYJGFJSA-N 1 0 345.537 4.415 20 30 EIEDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000174076229 1044217164 /nfs/dbraw/zinc/21/71/64/1044217164.db2.gz ZHNGJIZRQIZRED-JYBLXFRWSA-N 1 0 345.490 4.404 20 30 EIEDRO COc1ccc(Oc2cc(C[NH2+]CC(C)(C)CCC#N)ccn2)cc1 ZINC000174278638 1044247771 /nfs/dbraw/zinc/24/77/71/1044247771.db2.gz OTCXNMVJQFNGMX-UHFFFAOYSA-N 1 0 339.439 4.302 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(C#N)cc1 ZINC000174311721 1044257554 /nfs/dbraw/zinc/25/75/54/1044257554.db2.gz VDIAPPIWLDGSAB-OAHLLOKOSA-N 1 0 336.435 4.364 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246277299 1044288990 /nfs/dbraw/zinc/28/89/90/1044288990.db2.gz BXFICCDEXYYJSG-QUCCMNQESA-N 1 0 325.500 4.063 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Br)cc1 ZINC000042335663 1044313300 /nfs/dbraw/zinc/31/33/00/1044313300.db2.gz CWWNZJLKIPCHMV-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000466380973 1044355243 /nfs/dbraw/zinc/35/52/43/1044355243.db2.gz QTJPRPBPBKHZMI-CQSZACIVSA-N 1 0 334.261 4.284 20 30 EIEDRO C=CCOCCC[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000348024907 1044358231 /nfs/dbraw/zinc/35/82/31/1044358231.db2.gz BBQKMLGSELABMC-UHFFFAOYSA-N 1 0 334.510 4.131 20 30 EIEDRO CC[C@H](Cc1ccccc1Br)[NH2+]Cc1cc(C#N)cs1 ZINC000531848282 1044391622 /nfs/dbraw/zinc/39/16/22/1044391622.db2.gz HKLHIAVQSBHBNH-CQSZACIVSA-N 1 0 349.297 4.493 20 30 EIEDRO C[C@@H]1C[C@@H](NC2=CC(=O)CC(C)(C)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168020898 1044401743 /nfs/dbraw/zinc/40/17/43/1044401743.db2.gz OKUUFSLEWGGOFA-IZZQQSIFSA-N 1 0 340.511 4.291 20 30 EIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2cnc3ccccc3n2)CC1 ZINC000733901047 1044410812 /nfs/dbraw/zinc/41/08/12/1044410812.db2.gz AGVMKRMJXJUNCG-DNVCBOLYSA-N 1 0 337.471 4.072 20 30 EIEDRO CCCOc1ccc(C[NH2+]CCc2cccc(C#N)c2)cc1OCC ZINC000466412954 1044413826 /nfs/dbraw/zinc/41/38/26/1044413826.db2.gz ZELNSPVSTKHOHD-UHFFFAOYSA-N 1 0 338.451 4.078 20 30 EIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2ncnc3sccc32)CC1 ZINC000733907437 1044416398 /nfs/dbraw/zinc/41/63/98/1044416398.db2.gz PRUBYXBCWSRASL-CZUORRHYSA-N 1 0 343.500 4.134 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CCC(C[NH+](CC)CC)CC1)c1ccccc1 ZINC000494837270 1044424835 /nfs/dbraw/zinc/42/48/35/1044424835.db2.gz WVLTVZBFLSPTPP-OAQYLSRUSA-N 1 0 342.527 4.317 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000466417990 1044437310 /nfs/dbraw/zinc/43/73/10/1044437310.db2.gz UOSBAKBIEZZLIZ-GOSISDBHSA-N 1 0 328.500 4.281 20 30 EIEDRO C[C@H](C/N=C\c1c(O)ccc2ccccc21)[N@@H+]1CCc2ccccc2C1 ZINC000914558317 1044480526 /nfs/dbraw/zinc/48/05/26/1044480526.db2.gz SSLYWGFGDWWMQD-WMWHPZEKSA-N 1 0 344.458 4.411 20 30 EIEDRO CCCC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C1CCC1 ZINC000542525587 1044537492 /nfs/dbraw/zinc/53/74/92/1044537492.db2.gz NZQCETJMUDSQQQ-INIZCTEOSA-N 1 0 333.863 4.099 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1ncccc1Cl ZINC000734365760 1044545836 /nfs/dbraw/zinc/54/58/36/1044545836.db2.gz SBASQYFSXBPCBY-CQSZACIVSA-N 1 0 328.847 4.045 20 30 EIEDRO C=CC[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000494999216 1044588310 /nfs/dbraw/zinc/58/83/10/1044588310.db2.gz NYORBSFSGOPFTL-ZVDOUQERSA-N 1 0 342.527 4.221 20 30 EIEDRO C=CCC[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000495014626 1044595670 /nfs/dbraw/zinc/59/56/70/1044595670.db2.gz DINHUKFWBYSWEF-OAQYLSRUSA-N 1 0 342.527 4.365 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000495043131 1044612407 /nfs/dbraw/zinc/61/24/07/1044612407.db2.gz DFXGDEXOHBUBET-LIRRHRJNSA-N 1 0 333.834 4.343 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001168025774 1044657173 /nfs/dbraw/zinc/65/71/73/1044657173.db2.gz MNODBLAWSYDGJI-UHFFFAOYSA-N 1 0 342.446 4.341 20 30 EIEDRO COc1ccc(O)c(/C=N\C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000734750112 1044661062 /nfs/dbraw/zinc/66/10/62/1044661062.db2.gz WFEPXXCQYNHWOF-AABCQZNVSA-N 1 0 338.451 4.045 20 30 EIEDRO COc1ccc(O)c(/C=N/C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1 ZINC000734750114 1044662147 /nfs/dbraw/zinc/66/21/47/1044662147.db2.gz WFEPXXCQYNHWOF-PZBNQXIHSA-N 1 0 338.451 4.045 20 30 EIEDRO CCOc1ccc(O)c(/C=N\Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000914701320 1044675816 /nfs/dbraw/zinc/67/58/16/1044675816.db2.gz GDPMFILFXCHTHQ-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000118532753 1044677718 /nfs/dbraw/zinc/67/77/18/1044677718.db2.gz BXFICCDEXYYJSG-ICSRJNTNSA-N 1 0 325.500 4.063 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N/Cc1cccc(C[NH+]2CCCC2)c1 ZINC000914702184 1044679851 /nfs/dbraw/zinc/67/98/51/1044679851.db2.gz YUQZYRHJZJDVMH-FYJGNVAPSA-N 1 0 328.843 4.261 20 30 EIEDRO C=C(C)COc1cccc(NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000676322791 1044710884 /nfs/dbraw/zinc/71/08/84/1044710884.db2.gz RTONSWAXLCGAGP-UHFFFAOYSA-N 1 0 340.467 4.194 20 30 EIEDRO C=CC[C@H](C(=O)NC[C@H](c1ccco1)[NH+](CC)CC)c1ccccc1 ZINC000495145517 1044720378 /nfs/dbraw/zinc/72/03/78/1044720378.db2.gz GPFRRXZPUHJMIY-RBUKOAKNSA-N 1 0 340.467 4.139 20 30 EIEDRO C=CCC[C@H](NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000676446246 1044746512 /nfs/dbraw/zinc/74/65/12/1044746512.db2.gz UKHVOOCXRHBVBT-IBGZPJMESA-N 1 0 347.422 4.096 20 30 EIEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCc2ccccc2C1 ZINC000735311185 1044800350 /nfs/dbraw/zinc/80/03/50/1044800350.db2.gz LWCRESYEAPFRLJ-LJQANCHMSA-N 1 0 340.854 4.232 20 30 EIEDRO CCC[N@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1OCC#N ZINC000735310274 1044801205 /nfs/dbraw/zinc/80/12/05/1044801205.db2.gz WUIPFSHUKOMFNQ-UHFFFAOYSA-N 1 0 344.842 4.360 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)NC(C2CCCC2)C2CCCC2)CC1 ZINC000735513979 1044830778 /nfs/dbraw/zinc/83/07/78/1044830778.db2.gz UHPXBYWKPOETJP-UHFFFAOYSA-N 1 0 347.547 4.075 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/CCOC2CCCCCC2)c(O)c1 ZINC000735618919 1044843199 /nfs/dbraw/zinc/84/31/99/1044843199.db2.gz HHDSXCVBIBMIPB-LTGZKZEYSA-N 1 0 332.488 4.397 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1C ZINC000922673706 1044882651 /nfs/dbraw/zinc/88/26/51/1044882651.db2.gz QHQRSMXPNBWKKY-KRWDZBQOSA-N 1 0 337.467 4.204 20 30 EIEDRO C=CCC[C@H](C)[NH2+][C@@H](CCC)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000543603337 1044895284 /nfs/dbraw/zinc/89/52/84/1044895284.db2.gz VZABHWDESXOPBE-PXNSSMCTSA-N 1 0 343.515 4.338 20 30 EIEDRO CC(C)C[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccs1 ZINC000542555430 1044965158 /nfs/dbraw/zinc/96/51/58/1044965158.db2.gz RWWOUTDGYIPZEH-YOEHRIQHSA-N 1 0 341.480 4.324 20 30 EIEDRO C[NH+](C)CC[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)c1cccnc1 ZINC000895893638 1044967348 /nfs/dbraw/zinc/96/73/48/1044967348.db2.gz YCYMLZNYGSKKNI-QGZVFWFLSA-N 1 0 348.372 4.077 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2CC2CCCCC2)CC1 ZINC000303381403 1044994105 /nfs/dbraw/zinc/99/41/05/1044994105.db2.gz XNOCWWOPIFIRIY-FQEVSTJZSA-N 1 0 347.547 4.171 20 30 EIEDRO C#CCCC[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000766223802 1044997854 /nfs/dbraw/zinc/99/78/54/1044997854.db2.gz SZNUHOPICGIBNQ-GOSISDBHSA-N 1 0 343.268 4.131 20 30 EIEDRO CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H](CC)c1ccccc1 ZINC000303671058 1045051851 /nfs/dbraw/zinc/05/18/51/1045051851.db2.gz YRHSZCDYVXACJH-FPOVZHCZSA-N 1 0 341.499 4.048 20 30 EIEDRO N#CCSCCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000466710205 1045069598 /nfs/dbraw/zinc/06/95/98/1045069598.db2.gz KQUJDPSDGANMCS-UHFFFAOYSA-N 1 0 346.496 4.197 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\C1CC[NH+](CCc2ccccc2)CC1 ZINC000915113185 1045111739 /nfs/dbraw/zinc/11/17/39/1045111739.db2.gz QFNIYAPECKZYFA-JCMHNJIXSA-N 1 0 342.870 4.172 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)c1 ZINC000509428428 1045157210 /nfs/dbraw/zinc/15/72/10/1045157210.db2.gz DCQHIHDONOUFTN-LJQANCHMSA-N 1 0 327.399 4.176 20 30 EIEDRO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000131139959 1045163463 /nfs/dbraw/zinc/16/34/63/1045163463.db2.gz KTEUAELONJRFCS-HUUCEWRRSA-N 1 0 332.407 4.063 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc2ccccc2o1 ZINC000161782259 1045168569 /nfs/dbraw/zinc/16/85/69/1045168569.db2.gz LUVBRFCRPLHITP-OAHLLOKOSA-N 1 0 346.434 4.019 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000739884925 1045169335 /nfs/dbraw/zinc/16/93/35/1045169335.db2.gz LKRLGCHNHTZZIT-UHFFFAOYSA-N 1 0 328.416 4.094 20 30 EIEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000161911813 1045183518 /nfs/dbraw/zinc/18/35/18/1045183518.db2.gz CMHOMQFLDIZGMS-KRWDZBQOSA-N 1 0 342.483 4.043 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+](CCCC(C)(C)C#N)C2)C1 ZINC000495588360 1045221274 /nfs/dbraw/zinc/22/12/74/1045221274.db2.gz LZXHISNPUZCODR-HXUWFJFHSA-N 1 0 349.519 4.039 20 30 EIEDRO CCCC[C@H](CC)C[N@@H+]1CCCC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001272610757 1045222793 /nfs/dbraw/zinc/22/27/93/1045222793.db2.gz LNOCILCJKLDPIN-MOPGFXCFSA-N 1 0 347.547 4.067 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[N@@H+](C)CCCOC(C)C ZINC000740858151 1045229919 /nfs/dbraw/zinc/22/99/19/1045229919.db2.gz VZAMWGCXAWEBMH-UHFFFAOYSA-N 1 0 333.501 4.019 20 30 EIEDRO C[N@@H+]1CC[C@H](C/N=C/c2ccccc2O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762435935 1045232297 /nfs/dbraw/zinc/23/22/97/1045232297.db2.gz IHCUZYJCJKFZNG-SQMKJKLBSA-N 1 0 346.833 4.297 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1F)c1ccncc1 ZINC000766020912 1045233214 /nfs/dbraw/zinc/23/32/14/1045233214.db2.gz QYTVKBZMKGBBBI-CXAGYDPISA-N 1 0 330.403 4.206 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@@H]1OCCc2sccc21 ZINC000429125540 1045258362 /nfs/dbraw/zinc/25/83/62/1045258362.db2.gz ZFKFOKNPMPREIV-GTNSWQLSSA-N 1 0 332.856 4.065 20 30 EIEDRO CCC[N@H+](CCC(C)(C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495637404 1045262540 /nfs/dbraw/zinc/26/25/40/1045262540.db2.gz JZUZSPJVIBHUHS-UHFFFAOYSA-N 1 0 337.508 4.038 20 30 EIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccccc3C3CC3)CC2)cc1 ZINC000611253357 1045265292 /nfs/dbraw/zinc/26/52/92/1045265292.db2.gz SXCWEQQUBBAPRT-UHFFFAOYSA-N 1 0 345.490 4.144 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)c1cccc(Br)c1 ZINC000611243478 1045266737 /nfs/dbraw/zinc/26/67/37/1045266737.db2.gz HNZKITKXRZJISR-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000611248625 1045266863 /nfs/dbraw/zinc/26/68/63/1045266863.db2.gz NKZYJBLPKCYZGM-ZIAGYGMSSA-N 1 0 339.395 4.277 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000611366219 1045292622 /nfs/dbraw/zinc/29/26/22/1045292622.db2.gz SFAJLVINDVWCPI-SFHVURJKSA-N 1 0 339.370 4.031 20 30 EIEDRO Cc1ccc([C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)N2CCCC2)o1 ZINC000611392195 1045296408 /nfs/dbraw/zinc/29/64/08/1045296408.db2.gz JVJFXASUZZLUHK-LEWJYISDSA-N 1 0 349.478 4.264 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000611390635 1045296773 /nfs/dbraw/zinc/29/67/73/1045296773.db2.gz MIBOPGYRSZIBCF-XZOQPEGZSA-N 1 0 345.490 4.362 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000611391990 1045297539 /nfs/dbraw/zinc/29/75/39/1045297539.db2.gz DNXWWMAHXDVDKI-BDTNDASRSA-N 1 0 332.447 4.446 20 30 EIEDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394131 1045298624 /nfs/dbraw/zinc/29/86/24/1045298624.db2.gz KUOUPFLGESKZTM-RTBURBONSA-N 1 0 334.419 4.058 20 30 EIEDRO CC(C)(CO)[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611394273 1045298817 /nfs/dbraw/zinc/29/88/17/1045298817.db2.gz ANAPJBDZDQTGCV-VXKWHMMOSA-N 1 0 348.490 4.328 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2cccn2)c1 ZINC000611393450 1045298960 /nfs/dbraw/zinc/29/89/60/1045298960.db2.gz GUPGUWFIIMMCMK-OPAMFIHVSA-N 1 0 342.446 4.472 20 30 EIEDRO COc1cc(Cl)ccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392751 1045299089 /nfs/dbraw/zinc/29/90/89/1045299089.db2.gz IVMAEMSWMIIMKW-GOSISDBHSA-N 1 0 326.827 4.387 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000611395910 1045301160 /nfs/dbraw/zinc/30/11/60/1045301160.db2.gz YFVIEKQWXJUMAO-LJQANCHMSA-N 1 0 336.435 4.077 20 30 EIEDRO COC[C@H]([NH2+]CCCC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000611397083 1045301184 /nfs/dbraw/zinc/30/11/84/1045301184.db2.gz YBNXZIWAOHXXRW-HNNXBMFYSA-N 1 0 328.378 4.312 20 30 EIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000611465922 1045312368 /nfs/dbraw/zinc/31/23/68/1045312368.db2.gz MRWCGGCTVMQXBL-KPZWWZAWSA-N 1 0 332.806 4.389 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1 ZINC000762624299 1045315105 /nfs/dbraw/zinc/31/51/05/1045315105.db2.gz CHKWMLPIIPTPPK-UHFFFAOYSA-N 1 0 327.374 4.146 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CCN1Cc1ccccc1 ZINC000611476155 1045315293 /nfs/dbraw/zinc/31/52/93/1045315293.db2.gz ORKBQMDUJOHASW-XMSQKQJNSA-N 1 0 345.490 4.190 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2cc(Cl)ccc2OC(F)F)CC1 ZINC000236689852 1045363183 /nfs/dbraw/zinc/36/31/83/1045363183.db2.gz OKSZLBMXUYWOMU-UHFFFAOYSA-N 1 0 344.833 4.072 20 30 EIEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(OC)c(OC)c1 ZINC000272342575 1045423222 /nfs/dbraw/zinc/42/32/22/1045423222.db2.gz ZTGVOQYQQCZEJI-GOSISDBHSA-N 1 0 336.435 4.305 20 30 EIEDRO CCC[NH+](CCC)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000027270248 1045441170 /nfs/dbraw/zinc/44/11/70/1045441170.db2.gz KIGKLVACTQIVDN-UHFFFAOYSA-N 1 0 347.528 4.339 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1oc2ccccc2c1C)C(C)C ZINC000496000438 1045456388 /nfs/dbraw/zinc/45/63/88/1045456388.db2.gz VOADADDWYVAOAT-GOSISDBHSA-N 1 0 340.467 4.170 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sccc1C(C)C)C(C)C ZINC000496026273 1045460520 /nfs/dbraw/zinc/46/05/20/1045460520.db2.gz CCEGWBUIDYQFEN-QGZVFWFLSA-N 1 0 334.529 4.300 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCOCC2CC2)Cc2cccc(F)c2)cc1 ZINC000533488391 1045520136 /nfs/dbraw/zinc/52/01/36/1045520136.db2.gz ZPTGQXKNOJVLIS-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2c[nH]c3ncccc23)cc1Cl ZINC000533563086 1045580945 /nfs/dbraw/zinc/58/09/45/1045580945.db2.gz VNRPWVJOOQWBHD-UHFFFAOYSA-N 1 0 341.842 4.113 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(Br)cc2F)ccc1C#N ZINC000767691608 1045614696 /nfs/dbraw/zinc/61/46/96/1045614696.db2.gz RYLVACLCGKYJIH-UHFFFAOYSA-N 1 0 333.204 4.058 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H]2CCCc2ccccc2)cc1 ZINC000767905710 1045678898 /nfs/dbraw/zinc/67/88/98/1045678898.db2.gz HDAONWKLJGJGHL-FGZHOGPDSA-N 1 0 334.463 4.079 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000768214402 1045753252 /nfs/dbraw/zinc/75/32/52/1045753252.db2.gz JFZMXTGWSIYEFH-UHFFFAOYSA-N 1 0 349.474 4.270 20 30 EIEDRO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000768244345 1045775434 /nfs/dbraw/zinc/77/54/34/1045775434.db2.gz IDAVGBXFMIRGQX-GOSISDBHSA-N 1 0 346.430 4.219 20 30 EIEDRO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000768245353 1045775997 /nfs/dbraw/zinc/77/59/97/1045775997.db2.gz QCEXRBXBMJBAPM-GOSISDBHSA-N 1 0 346.430 4.219 20 30 EIEDRO CC(C)CC[N@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1F ZINC000072691408 1045794352 /nfs/dbraw/zinc/79/43/52/1045794352.db2.gz JOBJTYRXSQCRAW-UHFFFAOYSA-N 1 0 339.842 4.069 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCSC(F)(F)F)CC1 ZINC000768400675 1045802672 /nfs/dbraw/zinc/80/26/72/1045802672.db2.gz FPNSFZAEMVRQFW-UHFFFAOYSA-N 1 0 328.403 4.233 20 30 EIEDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000768512892 1045812777 /nfs/dbraw/zinc/81/27/77/1045812777.db2.gz KQVLDXYEHZFHIN-OAHLLOKOSA-N 1 0 325.431 4.346 20 30 EIEDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000768518198 1045819490 /nfs/dbraw/zinc/81/94/90/1045819490.db2.gz STPBDESXHGOBNT-HMFYCAOWSA-N 1 0 333.479 4.119 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000768758722 1045837117 /nfs/dbraw/zinc/83/71/17/1045837117.db2.gz QJWYJISTWZEPSE-UHFFFAOYSA-N 1 0 341.842 4.017 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C/N=C/c1cccc(O)c1O ZINC000915979420 1045850923 /nfs/dbraw/zinc/85/09/23/1045850923.db2.gz PDJQACSRQZNCEQ-CAUNFOBBSA-N 1 0 338.451 4.091 20 30 EIEDRO N#Cc1cncc(C[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)c1 ZINC001170204704 1045925847 /nfs/dbraw/zinc/92/58/47/1045925847.db2.gz FQNJCPHQKSSUOC-UHFFFAOYSA-N 1 0 345.368 4.384 20 30 EIEDRO C=C(C)C[N@@H+](CCO[C@@H]1CCCC[C@H]1C)Cc1cnn(C(C)C)c1 ZINC001170204676 1045927250 /nfs/dbraw/zinc/92/72/50/1045927250.db2.gz FBWBVPDVSDIJNG-UYAOXDASSA-N 1 0 333.520 4.437 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000769339573 1045928192 /nfs/dbraw/zinc/92/81/92/1045928192.db2.gz SJCGKJMCNQSOSQ-IBGZPJMESA-N 1 0 337.442 4.165 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000769339441 1045928283 /nfs/dbraw/zinc/92/82/83/1045928283.db2.gz YYQDQSYGWINFMU-GHTZIAJQSA-N 1 0 334.463 4.432 20 30 EIEDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237373103 1045936802 /nfs/dbraw/zinc/93/68/02/1045936802.db2.gz SZCDNNRCACEREB-INIZCTEOSA-N 1 0 326.415 4.229 20 30 EIEDRO COc1ccc(C(C)=NNc2ccc(F)cc2)cc1C[NH+]1CCCC1 ZINC000916268062 1045973760 /nfs/dbraw/zinc/97/37/60/1045973760.db2.gz HKRDUDNEUMYCCO-UHFFFAOYSA-N 1 0 341.430 4.266 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)ccn1 ZINC000614997197 1045997501 /nfs/dbraw/zinc/99/75/01/1045997501.db2.gz BOHAFKACWMVGOU-AEFFLSMTSA-N 1 0 345.368 4.398 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)cc1 ZINC000769503333 1046000299 /nfs/dbraw/zinc/00/02/99/1046000299.db2.gz HAFCCABFQUPSFJ-JOCHJYFZSA-N 1 0 333.479 4.200 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)cc1 ZINC000067712363 1046005745 /nfs/dbraw/zinc/00/57/45/1046005745.db2.gz BHSONZWMXIPARA-UHFFFAOYSA-N 1 0 341.252 4.490 20 30 EIEDRO C=CC[C@@H]([NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1)c1ccncc1 ZINC000769518652 1046006098 /nfs/dbraw/zinc/00/60/98/1046006098.db2.gz IJFMFSIXKFWQSC-HNAYVOBHSA-N 1 0 328.431 4.315 20 30 EIEDRO N#CC1(c2ccccc2)CCC(N2C[C@H](CC[NH3+])c3ccccc32)CC1 ZINC001170362222 1046015631 /nfs/dbraw/zinc/01/56/31/1046015631.db2.gz QHPXDHLDOQUGOR-QRGRWYIGSA-N 1 0 345.490 4.343 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(c3ccccn3)CC2)CC1 ZINC001170366991 1046017735 /nfs/dbraw/zinc/01/77/35/1046017735.db2.gz DBEBZTINCDLLCE-UHFFFAOYSA-N 1 0 331.463 4.107 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C(C)(C)N1O ZINC001170366951 1046018074 /nfs/dbraw/zinc/01/80/74/1046018074.db2.gz BNMSEDXOYUHWLQ-IDYZSHNDSA-N 1 0 341.499 4.001 20 30 EIEDRO N#CC1(c2ccccc2)CCC(N2CC[C@H]([NH3+])c3ccccc32)CC1 ZINC001170369212 1046018160 /nfs/dbraw/zinc/01/81/60/1046018160.db2.gz UDHOGSHWFYSICS-JGBTYHIZSA-N 1 0 331.463 4.301 20 30 EIEDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000496669646 1046022213 /nfs/dbraw/zinc/02/22/13/1046022213.db2.gz YVYRLXSYIVFNEU-JKSUJKDBSA-N 1 0 337.508 4.084 20 30 EIEDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000496669644 1046023036 /nfs/dbraw/zinc/02/30/36/1046023036.db2.gz YVYRLXSYIVFNEU-HOTGVXAUSA-N 1 0 337.508 4.084 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001170384463 1046023442 /nfs/dbraw/zinc/02/34/42/1046023442.db2.gz YGRCHSQDFBJARS-IZIZEDOESA-N 1 0 330.422 4.368 20 30 EIEDRO Cc1cc2c(cn1)[C@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170372163 1046031329 /nfs/dbraw/zinc/03/13/29/1046031329.db2.gz ZLVVSOMRQKALIP-NJEKYYFSSA-N 1 0 331.463 4.371 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(Cc3cccnc3)CC2)CC1 ZINC001170374167 1046031510 /nfs/dbraw/zinc/03/15/10/1046031510.db2.gz UYBMTLWJNVPXJI-UHFFFAOYSA-N 1 0 345.490 4.398 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCOC[C@@H]2c2ccccc2)CC1 ZINC001170379122 1046034252 /nfs/dbraw/zinc/03/42/52/1046034252.db2.gz QQRWDSZVOAJKAY-OOMBGRCJSA-N 1 0 346.474 4.464 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC001170379225 1046034554 /nfs/dbraw/zinc/03/45/54/1046034554.db2.gz UOYLZAHUYNHMJX-KBNVZVJVSA-N 1 0 336.479 4.224 20 30 EIEDRO Cc1ccc(C(=[NH2+])NC2CCC(C#N)(c3ccccc3)CC2)cc1C ZINC001170377118 1046034818 /nfs/dbraw/zinc/03/48/18/1046034818.db2.gz VHJRYPUYDQJZRI-UHFFFAOYSA-N 1 0 331.463 4.413 20 30 EIEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000496813721 1046069926 /nfs/dbraw/zinc/06/99/26/1046069926.db2.gz XZFZLNOCSWAETI-CQSZACIVSA-N 1 0 333.476 4.032 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)=NNc2ccc(F)cc2)ccc1O ZINC000916541223 1046073888 /nfs/dbraw/zinc/07/38/88/1046073888.db2.gz LAMBMCTWGRWBOW-UHFFFAOYSA-N 1 0 329.419 4.209 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)CCCC1(C)C ZINC000769954064 1046110513 /nfs/dbraw/zinc/11/05/13/1046110513.db2.gz RAWKUJOZESTDJA-FQEVSTJZSA-N 1 0 340.511 4.489 20 30 EIEDRO CCc1cccc(F)c1C[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC000792987012 1046119452 /nfs/dbraw/zinc/11/94/52/1046119452.db2.gz PQCPOGCFUJLRGR-QGZVFWFLSA-N 1 0 326.415 4.359 20 30 EIEDRO N#Cc1cccc(C[NH2+]CCOc2ccccc2-c2ccccc2)c1 ZINC000237846037 1046123336 /nfs/dbraw/zinc/12/33/36/1046123336.db2.gz HMBWCMGDCUUHFP-UHFFFAOYSA-N 1 0 328.415 4.394 20 30 EIEDRO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763399038 1046127272 /nfs/dbraw/zinc/12/72/72/1046127272.db2.gz ZTVDQWAEVGOGMB-FZKQIMNGSA-N 1 0 348.368 4.303 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000611387662 1046136186 /nfs/dbraw/zinc/13/61/86/1046136186.db2.gz RQBANOXYOCYACL-HNNXBMFYSA-N 1 0 335.451 4.145 20 30 EIEDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000763410743 1046138491 /nfs/dbraw/zinc/13/84/91/1046138491.db2.gz OEJOEFBKNHWDSM-VQTJNVASSA-N 1 0 338.451 4.364 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763413475 1046146937 /nfs/dbraw/zinc/14/69/37/1046146937.db2.gz MPRJAJYSNMMANS-AVYPCKFXSA-N 1 0 342.870 4.369 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)cc1 ZINC000770236517 1046162620 /nfs/dbraw/zinc/16/26/20/1046162620.db2.gz KUVVKZZETOMIRT-PMACEKPBSA-N 1 0 342.389 4.097 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cncc4ccccc43)CC2)cc1 ZINC000770378277 1046186572 /nfs/dbraw/zinc/18/65/72/1046186572.db2.gz AYWZMESRAVXENT-UHFFFAOYSA-N 1 0 325.415 4.396 20 30 EIEDRO C[C@H](C#N)Oc1ccc(CNc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000793342544 1046201740 /nfs/dbraw/zinc/20/17/40/1046201740.db2.gz FSEZFEBKCVLTSP-CQSZACIVSA-N 1 0 343.858 4.305 20 30 EIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000192161192 1046205551 /nfs/dbraw/zinc/20/55/51/1046205551.db2.gz UZOIYLHJENNZJZ-AWEZNQCLSA-N 1 0 334.398 4.042 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc1C#N ZINC000793385577 1046230756 /nfs/dbraw/zinc/23/07/56/1046230756.db2.gz CGTZYHMOMZILJH-RZDIXWSQSA-N 1 0 326.827 4.256 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000793529279 1046269008 /nfs/dbraw/zinc/26/90/08/1046269008.db2.gz WNJZOGVJOGEEBK-QGZVFWFLSA-N 1 0 326.488 4.037 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000793528284 1046269220 /nfs/dbraw/zinc/26/92/20/1046269220.db2.gz RDHVWCWZXNELFY-HZPDHXFCSA-N 1 0 338.517 4.234 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1ccccc1 ZINC000271710416 1046383243 /nfs/dbraw/zinc/38/32/43/1046383243.db2.gz OICRTZKLXAPIAT-IBGZPJMESA-N 1 0 338.476 4.315 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000497232404 1046448120 /nfs/dbraw/zinc/44/81/20/1046448120.db2.gz LTODKWCFEDTQBB-FGTMMUONSA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCC2)cc1 ZINC000237485540 1046469079 /nfs/dbraw/zinc/46/90/79/1046469079.db2.gz OFGOEZDJAHASLA-INIZCTEOSA-N 1 0 338.426 4.328 20 30 EIEDRO C[NH+]1C(C)(C)CC(Nc2nc(C(C)(C)C)ccc2C#N)CC1(C)C ZINC001170451267 1046498965 /nfs/dbraw/zinc/49/89/65/1046498965.db2.gz QJEVBVOUCHIDLP-UHFFFAOYSA-N 1 0 328.504 4.314 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000916988148 1046524565 /nfs/dbraw/zinc/52/45/65/1046524565.db2.gz AZMCKSKYYPLFJN-MRXNPFEDSA-N 1 0 341.398 4.489 20 30 EIEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000772162224 1046583204 /nfs/dbraw/zinc/58/32/04/1046583204.db2.gz QDOAKDPKSCQJOM-UZLBHIALSA-N 1 0 349.478 4.447 20 30 EIEDRO C=CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)C(C)C ZINC000917070594 1046647835 /nfs/dbraw/zinc/64/78/35/1046647835.db2.gz FLFMEZYMLUXHKS-FQEVSTJZSA-N 1 0 342.508 4.159 20 30 EIEDRO CC[C@H]1C[C@]1(NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000459440856 1046667262 /nfs/dbraw/zinc/66/72/62/1046667262.db2.gz ANMZGVGBEZFMLN-OXJNMPFZSA-N 1 0 335.407 4.190 20 30 EIEDRO C[C@H]1CCC[C@H](C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 ZINC000536740448 1046748176 /nfs/dbraw/zinc/74/81/76/1046748176.db2.gz UDHMVTHOAZLKON-WMZOPIPTSA-N 1 0 339.483 4.035 20 30 EIEDRO CCCCCCCCCC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000786193673 1046815710 /nfs/dbraw/zinc/81/57/10/1046815710.db2.gz OKZXNSKTAYKFLG-UHFFFAOYSA-N 1 0 334.508 4.229 20 30 EIEDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000536843771 1046816785 /nfs/dbraw/zinc/81/67/85/1046816785.db2.gz FHMSJBDEFXRBOQ-DWOCFRCJSA-N 1 0 340.511 4.431 20 30 EIEDRO Cc1ccccc1[C@@H]([C@H](C)Nc1snc(Cl)c1C#N)[NH+](C)C ZINC000804850374 1046825221 /nfs/dbraw/zinc/82/52/21/1046825221.db2.gz WIMCVMZAFNULDL-SMDDNHRTSA-N 1 0 334.876 4.080 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652461 1046838385 /nfs/dbraw/zinc/83/83/85/1046838385.db2.gz BUKHWHDENTVMQZ-HNNXBMFYSA-N 1 0 346.437 4.387 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000459688919 1046857742 /nfs/dbraw/zinc/85/77/42/1046857742.db2.gz IDGYIVDQVIXUNV-UHFFFAOYSA-N 1 0 329.425 4.353 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000459756686 1046874125 /nfs/dbraw/zinc/87/41/25/1046874125.db2.gz GRVGHDMSQSZCDU-OAGGEKHMSA-N 1 0 339.277 4.009 20 30 EIEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000459738261 1046875644 /nfs/dbraw/zinc/87/56/44/1046875644.db2.gz XXBIOPVTQFBFOT-CYBMUJFWSA-N 1 0 325.225 4.105 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2C)c1 ZINC000786916531 1046881224 /nfs/dbraw/zinc/88/12/24/1046881224.db2.gz MBPDSIHSOLZDSN-YJBOKZPZSA-N 1 0 340.471 4.304 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc2c(cc1O)CCCC2 ZINC000787028155 1046894894 /nfs/dbraw/zinc/89/48/94/1046894894.db2.gz UMIJNGYORPUQES-QKKBWIMNSA-N 1 0 332.447 4.481 20 30 EIEDRO CC[C@@H](CSC)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537026555 1046900779 /nfs/dbraw/zinc/90/07/79/1046900779.db2.gz KZNGKYNEVUYSGS-IBGZPJMESA-N 1 0 340.492 4.368 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000537027871 1046904031 /nfs/dbraw/zinc/90/40/31/1046904031.db2.gz SMGAOPPLFSUGPR-IBGZPJMESA-N 1 0 349.478 4.209 20 30 EIEDRO CC(C)CCC[C@@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001170070925 1046935627 /nfs/dbraw/zinc/93/56/27/1046935627.db2.gz FYLFZMQWMFNLEM-GOSISDBHSA-N 1 0 327.516 4.327 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000537092993 1046939910 /nfs/dbraw/zinc/93/99/10/1046939910.db2.gz QUJKHVXUXKONIB-QWHCGFSZSA-N 1 0 333.419 4.176 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000537093304 1046942437 /nfs/dbraw/zinc/94/24/37/1046942437.db2.gz HCZAHPXBCMKJIW-OCCSQVGLSA-N 1 0 334.460 4.093 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(Cl)nc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000787279976 1046967350 /nfs/dbraw/zinc/96/73/50/1046967350.db2.gz ORIMPQBDKYWCAZ-JTQLQIEISA-N 1 0 339.748 4.476 20 30 EIEDRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001170075574 1047030562 /nfs/dbraw/zinc/03/05/62/1047030562.db2.gz SSYMZRICMZMQPK-RDJZCZTQSA-N 1 0 330.447 4.367 20 30 EIEDRO COc1ccc([C@H]([NH2+]CCCOc2cccc(C#N)c2)C2CC2)cc1 ZINC000537290716 1047073567 /nfs/dbraw/zinc/07/35/67/1047073567.db2.gz JDVOEBZWLYWMQC-OAQYLSRUSA-N 1 0 336.435 4.077 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000537303952 1047084203 /nfs/dbraw/zinc/08/42/03/1047084203.db2.gz KWHIDAVWOFJPAZ-VXGBXAGGSA-N 1 0 338.245 4.031 20 30 EIEDRO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccccc1SC(C)(C)C ZINC000788436607 1047183753 /nfs/dbraw/zinc/18/37/53/1047183753.db2.gz BIUVNXQIPZIKJK-HOTGVXAUSA-N 1 0 344.528 4.161 20 30 EIEDRO C[NH+](C)[C@@H]1CCCC(N=Nc2nc(Cl)c(Cl)cc2Cl)C1 ZINC000788413777 1047189719 /nfs/dbraw/zinc/18/97/19/1047189719.db2.gz BPLHGKZUXSSQNQ-SECBINFHSA-N 1 0 335.666 4.314 20 30 EIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CCc2ccc(Cl)nc21)C(C)C ZINC000788520426 1047214240 /nfs/dbraw/zinc/21/42/40/1047214240.db2.gz QWEDNFBJLNQPBC-SJORKVTESA-N 1 0 333.907 4.011 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)c1 ZINC000788537357 1047215965 /nfs/dbraw/zinc/21/59/65/1047215965.db2.gz JRHWGTNWGFQKGD-SFTDATJTSA-N 1 0 325.452 4.099 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)c1ccccc1 ZINC000788619677 1047252281 /nfs/dbraw/zinc/25/22/81/1047252281.db2.gz FHDBKCDBVRYZDV-KPOBHBOGSA-N 1 0 326.415 4.106 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H](O)c1ccccc1 ZINC000788627641 1047255547 /nfs/dbraw/zinc/25/55/47/1047255547.db2.gz OPRCLKIGCQDMDQ-BHIFYINESA-N 1 0 334.463 4.283 20 30 EIEDRO CC(C)[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H](O)c1ccccc1 ZINC000788627645 1047256255 /nfs/dbraw/zinc/25/62/55/1047256255.db2.gz OPRCLKIGCQDMDQ-FDFHNCONSA-N 1 0 334.463 4.283 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000788692766 1047264862 /nfs/dbraw/zinc/26/48/62/1047264862.db2.gz PWKLNKAWQYKUOS-MSOLQXFVSA-N 1 0 330.472 4.374 20 30 EIEDRO C=CCC(F)(F)C(=O)N(CC[NH+](CC)CC)c1ccc(Cl)cc1 ZINC001130674286 1047311498 /nfs/dbraw/zinc/31/14/98/1047311498.db2.gz AQVLOVOAKCXKPG-UHFFFAOYSA-N 1 0 344.833 4.226 20 30 EIEDRO COCc1csc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)c1 ZINC000897588470 1047317007 /nfs/dbraw/zinc/31/70/07/1047317007.db2.gz CUYZTNQLAJSNCQ-UHFFFAOYSA-N 1 0 326.465 4.146 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c1 ZINC000788983175 1047339510 /nfs/dbraw/zinc/33/95/10/1047339510.db2.gz BPBZOOKWULNZNF-UYWIDEMCSA-N 1 0 342.483 4.052 20 30 EIEDRO CC1(C)C[C@H]([N@H+](Cc2ccc(C#N)o2)Cc2ccccc2)C(C)(C)O1 ZINC000537467935 1047400520 /nfs/dbraw/zinc/40/05/20/1047400520.db2.gz SWZDHELFFYESPI-IBGZPJMESA-N 1 0 338.451 4.500 20 30 EIEDRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]Cc1nc(C#N)cs1 ZINC000897628772 1047404282 /nfs/dbraw/zinc/40/42/82/1047404282.db2.gz CBZRTPGJIAGABR-NSHDSACASA-N 1 0 339.386 4.144 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000556103365 1047453671 /nfs/dbraw/zinc/45/36/71/1047453671.db2.gz OENXOLUCEMOCSJ-UHFFFAOYSA-N 1 0 328.500 4.281 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)ccc1OC ZINC000897748755 1047476387 /nfs/dbraw/zinc/47/63/87/1047476387.db2.gz DBFBZOZGLRJEAR-ALOPSCKCSA-N 1 0 333.497 4.166 20 30 EIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)c1 ZINC000154753413 1047505880 /nfs/dbraw/zinc/50/58/80/1047505880.db2.gz ZYNRHPUXLZOWRW-NRFANRHFSA-N 1 0 348.471 4.356 20 30 EIEDRO N#CCCC[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccccc1 ZINC000556198752 1047558515 /nfs/dbraw/zinc/55/85/15/1047558515.db2.gz WOMFDBHXPWRUAW-CGZBRXJRSA-N 1 0 340.389 4.247 20 30 EIEDRO CC[C@H]1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000556202616 1047564481 /nfs/dbraw/zinc/56/44/81/1047564481.db2.gz ACDXPRBALCFFPP-IRJFHVNHSA-N 1 0 325.500 4.081 20 30 EIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000130830438 1047803767 /nfs/dbraw/zinc/80/37/67/1047803767.db2.gz DYKJFNKEAYYNPP-SECBINFHSA-N 1 0 333.067 4.266 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CCOc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000556512196 1047804032 /nfs/dbraw/zinc/80/40/32/1047804032.db2.gz LKXQCQZNLAATHB-UHFFFAOYSA-N 1 0 346.352 4.235 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC(F)(c3cccnc3)CC2)c1 ZINC000556615052 1047839235 /nfs/dbraw/zinc/83/92/35/1047839235.db2.gz UTBVAMXMSKEMIH-UHFFFAOYSA-N 1 0 326.415 4.107 20 30 EIEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000824242051 1047848451 /nfs/dbraw/zinc/84/84/51/1047848451.db2.gz HHLBQPRSWXFERP-ROUUACIJSA-N 1 0 330.472 4.293 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1 ZINC000814170484 1047873074 /nfs/dbraw/zinc/87/30/74/1047873074.db2.gz WXBQNHMMKLLVFY-PKTZIBPZSA-N 1 0 327.427 4.232 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000814249749 1047917167 /nfs/dbraw/zinc/91/71/67/1047917167.db2.gz NCTHMCDOAWOTNB-CVEARBPZSA-N 1 0 349.434 4.317 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H]2CCc3c2cccc3C#N)nc1 ZINC001171064277 1047919389 /nfs/dbraw/zinc/91/93/89/1047919389.db2.gz CNBBVWIWLZICNI-IIBYNOLFSA-N 1 0 346.478 4.427 20 30 EIEDRO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CC(C)(C)CCC#N ZINC000808429506 1047942620 /nfs/dbraw/zinc/94/26/20/1047942620.db2.gz LCFIPOTWGPRTHM-UHFFFAOYSA-N 1 0 344.890 4.313 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000825045500 1048024216 /nfs/dbraw/zinc/02/42/16/1048024216.db2.gz FRMJFDKGASVUFQ-BDJLRTHQSA-N 1 0 346.352 4.172 20 30 EIEDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000825090464 1048036557 /nfs/dbraw/zinc/03/65/57/1048036557.db2.gz AHGZAVMWJLZICH-SNRMKQJTSA-N 1 0 336.435 4.022 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)c1ccc(C)s1)C(C)C ZINC000919787287 1048066190 /nfs/dbraw/zinc/06/61/90/1048066190.db2.gz SGBCPGCUAAMHCQ-SJORKVTESA-N 1 0 349.544 4.115 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1ccccc1OC)N(C)C)c1ccco1 ZINC000556864523 1048071151 /nfs/dbraw/zinc/07/11/51/1048071151.db2.gz QPBSHQFSWMJMJU-QZTJIDSGSA-N 1 0 328.456 4.188 20 30 EIEDRO C#CCCC[NH2+][C@@H](Cc1ccc(Cl)cc1)Cc1ccc(CC)cn1 ZINC000808699418 1048079391 /nfs/dbraw/zinc/07/93/91/1048079391.db2.gz GJSHOXRWGRAONB-NRFANRHFSA-N 1 0 340.898 4.454 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000814667912 1048121970 /nfs/dbraw/zinc/12/19/70/1048121970.db2.gz YZMADBMZANVFPX-QGZVFWFLSA-N 1 0 326.827 4.232 20 30 EIEDRO C[C@@H]1C(N=Nc2nncc3ccccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000814705787 1048131643 /nfs/dbraw/zinc/13/16/43/1048131643.db2.gz NEICVPKOXMUFGD-MRXNPFEDSA-N 1 0 345.450 4.082 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)c(C)c1OC ZINC000556892228 1048136432 /nfs/dbraw/zinc/13/64/32/1048136432.db2.gz JAXFRETUSBZYMM-ZIAGYGMSSA-N 1 0 342.414 4.435 20 30 EIEDRO CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C[NH+](C)C)c1 ZINC000814832334 1048195036 /nfs/dbraw/zinc/19/50/36/1048195036.db2.gz CARKHYRFNTWGII-UHFFFAOYSA-N 1 0 346.818 4.146 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1ccnc(Br)c1 ZINC000815028098 1048308658 /nfs/dbraw/zinc/30/86/58/1048308658.db2.gz QJFKPFODGKBUSW-UHFFFAOYSA-N 1 0 331.257 4.075 20 30 EIEDRO N#CCCOCC[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000815083860 1048323538 /nfs/dbraw/zinc/32/35/38/1048323538.db2.gz GKYWLKVWKBDQTG-OAHLLOKOSA-N 1 0 346.780 4.330 20 30 EIEDRO CC(C)C[N@H+](CCC#N)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000919944857 1048328997 /nfs/dbraw/zinc/32/89/97/1048328997.db2.gz RCBGHTPAEKKJAL-UHFFFAOYSA-N 1 0 326.440 4.389 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)cc1C#N ZINC000815166262 1048359254 /nfs/dbraw/zinc/35/92/54/1048359254.db2.gz FTQNUHDUFMEMFQ-KOMQPUFPSA-N 1 0 326.827 4.256 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C(C)(F)F)cc2)cc1 ZINC000815142162 1048364242 /nfs/dbraw/zinc/36/42/42/1048364242.db2.gz OJJHLJFJSAKYBC-AWEZNQCLSA-N 1 0 330.378 4.379 20 30 EIEDRO C#Cc1ccc(CNc2cc(C[NH+]3CCSCC3)ccc2C)cc1 ZINC000809600638 1048437235 /nfs/dbraw/zinc/43/72/35/1048437235.db2.gz WKIRXHXGWYPAJL-UHFFFAOYSA-N 1 0 336.504 4.137 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)cc1 ZINC000809656482 1048454985 /nfs/dbraw/zinc/45/49/85/1048454985.db2.gz WXNZRTNHZFDNKW-UHFFFAOYSA-N 1 0 332.378 4.284 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(OCC)c1O ZINC000809705542 1048486793 /nfs/dbraw/zinc/48/67/93/1048486793.db2.gz VDKJILQEGQVZNP-UHFFFAOYSA-N 1 0 343.471 4.147 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2F)cc1 ZINC000809719611 1048496767 /nfs/dbraw/zinc/49/67/67/1048496767.db2.gz KBPCVTDHIOAIMY-LBPRGKRZSA-N 1 0 332.216 4.420 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(N2CCCOC2=O)cc1 ZINC000815627124 1048551766 /nfs/dbraw/zinc/55/17/66/1048551766.db2.gz ULIHVRFASYHWBS-HNNXBMFYSA-N 1 0 329.444 4.014 20 30 EIEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000815637252 1048565433 /nfs/dbraw/zinc/56/54/33/1048565433.db2.gz QWVDWRCYBRUPRW-KRWDZBQOSA-N 1 0 330.472 4.232 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001170593679 1048593900 /nfs/dbraw/zinc/59/39/00/1048593900.db2.gz NJHFHPLNJIYXIA-KUHUBIRLSA-N 1 0 326.827 4.426 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001170593677 1048595008 /nfs/dbraw/zinc/59/50/08/1048595008.db2.gz NJHFHPLNJIYXIA-AUUYWEPGSA-N 1 0 326.827 4.426 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc4ccccc4cc3C#N)c2c1 ZINC001171166842 1048601012 /nfs/dbraw/zinc/60/10/12/1048601012.db2.gz VTUCTLIQMRQKNS-OAHLLOKOSA-N 1 0 340.430 4.249 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc4nc(C#N)ccc4c3)c2c1 ZINC001171167790 1048614983 /nfs/dbraw/zinc/61/49/83/1048614983.db2.gz MRAKWKNSHGHSOQ-HNNXBMFYSA-N 1 0 340.430 4.249 20 30 EIEDRO C[C@H](C#N)OCC[NH2+][C@@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000810082582 1048622647 /nfs/dbraw/zinc/62/26/47/1048622647.db2.gz TWCQFMDTXDCCME-CJNGLKHVSA-N 1 0 342.405 4.181 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc(OCCC#N)cc3)c2c1 ZINC001171170186 1048624673 /nfs/dbraw/zinc/62/46/73/1048624673.db2.gz VARKGZWFXHTUAJ-MRXNPFEDSA-N 1 0 333.435 4.121 20 30 EIEDRO COc1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)ccc1C#N ZINC000810169323 1048654007 /nfs/dbraw/zinc/65/40/07/1048654007.db2.gz VZIOBKZAKOADAV-UHFFFAOYSA-N 1 0 344.414 4.229 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001171179956 1048655019 /nfs/dbraw/zinc/65/50/19/1048655019.db2.gz ZSZTTXUGCGHWPL-ZDUSSCGKSA-N 1 0 334.341 4.178 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1cccc(Br)c1 ZINC001171178986 1048660336 /nfs/dbraw/zinc/66/03/36/1048660336.db2.gz NHIZCZFMOBJCMB-CQSZACIVSA-N 1 0 343.268 4.084 20 30 EIEDRO Cc1nc(OCC(C)C)ccc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171185100 1048672472 /nfs/dbraw/zinc/67/24/72/1048672472.db2.gz FSPDISUCCHIJEN-UHFFFAOYSA-N 1 0 349.434 4.321 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)cc1C(F)(F)F ZINC001171184607 1048676055 /nfs/dbraw/zinc/67/60/55/1048676055.db2.gz NLRQEOPDRFKFCT-CYBMUJFWSA-N 1 0 348.368 4.306 20 30 EIEDRO N#Cc1nccc2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc12 ZINC001171185419 1048681462 /nfs/dbraw/zinc/68/14/62/1048681462.db2.gz JNSJLJVXESVPQU-UHFFFAOYSA-N 1 0 338.370 4.002 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)nc1)c1ccncc1 ZINC000810219415 1048687810 /nfs/dbraw/zinc/68/78/10/1048687810.db2.gz RGZVVTHHEWZOMC-SWLSCSKDSA-N 1 0 332.245 4.207 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccccc1C(F)(F)F ZINC001171191959 1048692822 /nfs/dbraw/zinc/69/28/22/1048692822.db2.gz IYYIXXPGERFHBG-AWEZNQCLSA-N 1 0 332.369 4.340 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc(OC)c1OC ZINC000810224596 1048692992 /nfs/dbraw/zinc/69/29/92/1048692992.db2.gz KKUDFWVXLOBZTI-FQEVSTJZSA-N 1 0 348.446 4.081 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(OCC2CCC2)c1 ZINC001171191848 1048693881 /nfs/dbraw/zinc/69/38/81/1048693881.db2.gz GRQFDFAAKRBMKK-KRWDZBQOSA-N 1 0 334.463 4.458 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000810225705 1048694417 /nfs/dbraw/zinc/69/44/17/1048694417.db2.gz KKOWDROQCCUNQI-WIYYLYMNSA-N 1 0 331.419 4.016 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1N1CCCCC1 ZINC001171192798 1048695144 /nfs/dbraw/zinc/69/51/44/1048695144.db2.gz PWMWWAKMIQOOIV-SFHVURJKSA-N 1 0 333.479 4.269 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(Br)nc1)c1ccccc1 ZINC000810229567 1048697833 /nfs/dbraw/zinc/69/78/33/1048697833.db2.gz YWJBXTRKYDEQTC-BBRMVZONSA-N 1 0 329.241 4.259 20 30 EIEDRO N#Cc1cccc(C2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)c1 ZINC001144531760 1048716545 /nfs/dbraw/zinc/71/65/45/1048716545.db2.gz XQGXUXOHQZHMRB-UHFFFAOYSA-N 1 0 345.368 4.352 20 30 EIEDRO COc1ccc(CC(C)(C)C[NH2+][C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171198026 1048731059 /nfs/dbraw/zinc/73/10/59/1048731059.db2.gz GVPXAUZEOSQQJM-QGZVFWFLSA-N 1 0 336.479 4.356 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001135483776 1048747551 /nfs/dbraw/zinc/74/75/51/1048747551.db2.gz LVGYTEBJEVBDOV-MJBXVCDLSA-N 1 0 340.920 4.177 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccsc1Br ZINC001171201914 1048755898 /nfs/dbraw/zinc/75/58/98/1048755898.db2.gz SWRGRNQCGJXNFA-LBPRGKRZSA-N 1 0 349.297 4.146 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(-c2ccccc2F)no1 ZINC001171201807 1048756053 /nfs/dbraw/zinc/75/60/53/1048756053.db2.gz RDMKFPHTWUHNHW-CQSZACIVSA-N 1 0 335.382 4.073 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1cc(CC[NH3+])c2c1cccc2Cl ZINC001171202067 1048759553 /nfs/dbraw/zinc/75/95/53/1048759553.db2.gz VFNPHMVCFHAVSP-CQSZACIVSA-N 1 0 337.854 4.471 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1Br ZINC001171202356 1048761664 /nfs/dbraw/zinc/76/16/64/1048761664.db2.gz BUVPEXGBCWCZHP-CQSZACIVSA-N 1 0 343.268 4.384 20 30 EIEDRO C#CC[C@H]([NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000845946234 1048769619 /nfs/dbraw/zinc/76/96/19/1048769619.db2.gz RFKVHFNTCLCXCO-KVZIAJEVSA-N 1 0 342.483 4.034 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCOc2ccc(Cl)cc21 ZINC001171203912 1048772105 /nfs/dbraw/zinc/77/21/05/1048772105.db2.gz QHKQZOIGLCSJAA-SCLBCKFNSA-N 1 0 326.827 4.256 20 30 EIEDRO N#Cc1ccccc1OC1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717489 1048818504 /nfs/dbraw/zinc/81/85/04/1048818504.db2.gz TYPILQCHAHRMPP-UHFFFAOYSA-N 1 0 331.419 4.083 20 30 EIEDRO Oc1cccc(/C=N\C[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1O ZINC000920944436 1048819487 /nfs/dbraw/zinc/81/94/87/1048819487.db2.gz GBYOXUVXDJQIQB-WCEBZYJUSA-N 1 0 344.842 4.007 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000846102932 1048821278 /nfs/dbraw/zinc/82/12/78/1048821278.db2.gz QZNMHLZVXWVJML-TZMCWYRMSA-N 1 0 327.255 4.041 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]C3CCCCCCC3)CC2)c1 ZINC000846106443 1048822780 /nfs/dbraw/zinc/82/27/80/1048822780.db2.gz HZZUVOHXFQKJSS-UHFFFAOYSA-N 1 0 325.500 4.225 20 30 EIEDRO CCC1CC(=O)C(=CNc2ccc(N(CC)C(C)C)cc2)C(=O)C1 ZINC000920976695 1048830207 /nfs/dbraw/zinc/83/02/07/1048830207.db2.gz PGBAIKRRQZSRPN-UHFFFAOYSA-N 1 0 328.456 4.175 20 30 EIEDRO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc4scnc4c3)C2)cc1 ZINC001144744109 1048848580 /nfs/dbraw/zinc/84/85/80/1048848580.db2.gz KKXUQNFXNXJVKG-GOSISDBHSA-N 1 0 349.459 4.211 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC001171221808 1048857759 /nfs/dbraw/zinc/85/77/59/1048857759.db2.gz VHOOPTONUZJXRD-SFHVURJKSA-N 1 0 334.463 4.170 20 30 EIEDRO CC(=O)C1(c2ccccc2)CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171224571 1048863352 /nfs/dbraw/zinc/86/33/52/1048863352.db2.gz SZUIZYUIGVFSJR-GOSISDBHSA-N 1 0 346.474 4.112 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)Cc2ccsc2)cc(OC)c1OC ZINC000772946583 1048885202 /nfs/dbraw/zinc/88/52/02/1048885202.db2.gz NSQVAOOOKWGPQN-AWEZNQCLSA-N 1 0 331.481 4.215 20 30 EIEDRO Cc1cccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1Br ZINC001159615988 1048905588 /nfs/dbraw/zinc/90/55/88/1048905588.db2.gz XDSXMPXYFWTJFP-UHFFFAOYSA-N 1 0 342.240 4.060 20 30 EIEDRO C=C[C@@H](CC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000134232134 1048906563 /nfs/dbraw/zinc/90/65/63/1048906563.db2.gz YJIHBEIXYQFTSV-IBGZPJMESA-N 1 0 328.500 4.119 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC001170622888 1048920305 /nfs/dbraw/zinc/92/03/05/1048920305.db2.gz DOVFBWNXAOLGGY-HNNXBMFYSA-N 1 0 336.435 4.174 20 30 EIEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CC(OC(C)(C)C)C1 ZINC000817287242 1048928216 /nfs/dbraw/zinc/92/82/16/1048928216.db2.gz LUCNHEZXYFIZPK-UHFFFAOYSA-N 1 0 336.863 4.020 20 30 EIEDRO C=CCC1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCCC1 ZINC001132594692 1048943042 /nfs/dbraw/zinc/94/30/42/1048943042.db2.gz XUDVROGKYIVZHY-HXUWFJFHSA-N 1 0 340.511 4.294 20 30 EIEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847027842 1048983643 /nfs/dbraw/zinc/98/36/43/1048983643.db2.gz DFVILRHDTQRTKI-MSOLQXFVSA-N 1 0 332.447 4.026 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C[C@@H](O)c3cc4ccccc4o3)CCC2)cc1 ZINC000847059875 1048989224 /nfs/dbraw/zinc/98/92/24/1048989224.db2.gz PXUAOZCTNLNUOE-GOSISDBHSA-N 1 0 332.403 4.007 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)C2(OC)CCCCC2)c1 ZINC000817580941 1049011099 /nfs/dbraw/zinc/01/10/99/1049011099.db2.gz LUCRQHSDKFWNOR-SJLPKXTDSA-N 1 0 330.472 4.195 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)C2(OC)CCCCC2)c1 ZINC000817580939 1049011780 /nfs/dbraw/zinc/01/17/80/1049011780.db2.gz LUCRQHSDKFWNOR-AEFFLSMTSA-N 1 0 330.472 4.195 20 30 EIEDRO N#CC1(Nc2ccccc2CS)CC[NH+](Cc2ccccc2)CC1 ZINC001171276562 1049018916 /nfs/dbraw/zinc/01/89/16/1049018916.db2.gz BBWMUQSVMWVZGR-UHFFFAOYSA-N 1 0 337.492 4.087 20 30 EIEDRO N#CC1(Nc2ccc3c(c2)C=CC3)CC[NH+](Cc2ccccc2)CC1 ZINC001171277749 1049029378 /nfs/dbraw/zinc/02/93/78/1049029378.db2.gz PRHPAZJKZXUFIS-UHFFFAOYSA-N 1 0 329.447 4.226 20 30 EIEDRO CC(C)c1ccc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000609358312 1049032971 /nfs/dbraw/zinc/03/29/71/1049032971.db2.gz YZLMIEDPHYGEOK-UHFFFAOYSA-N 1 0 335.451 4.145 20 30 EIEDRO C=CCN(CC=C)C(=O)C[N@@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000064349127 1049052807 /nfs/dbraw/zinc/05/28/07/1049052807.db2.gz SZAQJVRSOPRKEP-MRXNPFEDSA-N 1 0 326.440 4.016 20 30 EIEDRO CC(C)(C)OCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000609433194 1049053410 /nfs/dbraw/zinc/05/34/10/1049053410.db2.gz GFROMOSTGBLFLR-UHFFFAOYSA-N 1 0 338.451 4.042 20 30 EIEDRO CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](C)Cc1ccc(OC)cc1 ZINC000609432243 1049061530 /nfs/dbraw/zinc/06/15/30/1049061530.db2.gz WYKBVWPQVCPKTF-HNNXBMFYSA-N 1 0 326.415 4.159 20 30 EIEDRO N#Cc1ccc(NCC[NH+]2Cc3ccccc3C2)cc1C(F)(F)F ZINC000609449130 1049068069 /nfs/dbraw/zinc/06/80/69/1049068069.db2.gz DMSNORXKMKCXHM-UHFFFAOYSA-N 1 0 331.341 4.005 20 30 EIEDRO N#Cc1ccc(NCc2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000609495687 1049086642 /nfs/dbraw/zinc/08/66/42/1049086642.db2.gz RQAVCBZQAQVNMQ-UHFFFAOYSA-N 1 0 325.843 4.420 20 30 EIEDRO Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000818109977 1049088064 /nfs/dbraw/zinc/08/80/64/1049088064.db2.gz RHCUGCHGHVTQRR-KRWDZBQOSA-N 1 0 341.842 4.275 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+](CCCC)C2CCCCC2)cc1 ZINC001170638087 1049151055 /nfs/dbraw/zinc/15/10/55/1049151055.db2.gz FYPIQPPYWYAUQZ-UHFFFAOYSA-N 1 0 326.484 4.431 20 30 EIEDRO C=CCC1(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCCC1 ZINC001147443479 1049158602 /nfs/dbraw/zinc/15/86/02/1049158602.db2.gz QDZWKXMYSOMXPI-SFHVURJKSA-N 1 0 344.474 4.043 20 30 EIEDRO N#Cc1ccccc1/C=C/C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001132951901 1049214174 /nfs/dbraw/zinc/21/41/74/1049214174.db2.gz CQMQWQZRZIPVBF-JLHYYAGUSA-N 1 0 345.446 4.196 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)Cc2cccc(F)c2)c1 ZINC000772985745 1049216204 /nfs/dbraw/zinc/21/62/04/1049216204.db2.gz XZGPBKNWTVXEJF-HNAYVOBHSA-N 1 0 326.415 4.227 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(SC)c(OC)c1 ZINC000772986738 1049265497 /nfs/dbraw/zinc/26/54/97/1049265497.db2.gz CZPXGKSHLALMPB-OAHLLOKOSA-N 1 0 341.476 4.280 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)COC3)c1 ZINC000772984818 1049266240 /nfs/dbraw/zinc/26/62/40/1049266240.db2.gz QHCHOXGWVHPKQP-QRWLVFNGSA-N 1 0 336.435 4.249 20 30 EIEDRO COc1ccc(Cl)c2c1C[C@H]([N@H+](CCC#N)C1CCCC1)CC2 ZINC001171322033 1049272872 /nfs/dbraw/zinc/27/28/72/1049272872.db2.gz RBPNUZXFNFEGCW-OAHLLOKOSA-N 1 0 332.875 4.364 20 30 EIEDRO N#CCC[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819184210 1049276355 /nfs/dbraw/zinc/27/63/55/1049276355.db2.gz WVHQRPYMZHFRPL-ROUUACIJSA-N 1 0 348.368 4.373 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)cc1 ZINC000078879865 1049298218 /nfs/dbraw/zinc/29/82/18/1049298218.db2.gz CUXIGFJMQBFSHK-UHFFFAOYSA-N 1 0 349.377 4.151 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C[C@@H](c2ccccc2)C1 ZINC000819370860 1049309880 /nfs/dbraw/zinc/30/98/80/1049309880.db2.gz WQQIFQDSPAUPKG-IRNNPGBSSA-N 1 0 334.463 4.154 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000819368193 1049310710 /nfs/dbraw/zinc/31/07/10/1049310710.db2.gz OCGRFZFGOGTZGF-MISYRCLQSA-N 1 0 340.854 4.171 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000609892840 1049385643 /nfs/dbraw/zinc/38/56/43/1049385643.db2.gz CKQJITLRXFZJID-KRWDZBQOSA-N 1 0 339.870 4.188 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(F)cc(F)c2C1)c1cccc(C#N)c1 ZINC001170669765 1049390120 /nfs/dbraw/zinc/39/01/20/1049390120.db2.gz NGRCSAMHTWBFJS-YLJYHZDGSA-N 1 0 326.390 4.435 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCC23CCOCC3)ccc1OC ZINC000282773196 1049456642 /nfs/dbraw/zinc/45/66/42/1049456642.db2.gz UZBWVPCVRMAVKA-HXUWFJFHSA-N 1 0 345.483 4.089 20 30 EIEDRO C=CCOCC[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001171354086 1049508875 /nfs/dbraw/zinc/50/88/75/1049508875.db2.gz PKDGATUPDVVPQH-QGZVFWFLSA-N 1 0 338.289 4.049 20 30 EIEDRO C#CCSCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000773009658 1049521319 /nfs/dbraw/zinc/52/13/19/1049521319.db2.gz DMFXRODBULLGQU-HNNXBMFYSA-N 1 0 346.496 4.283 20 30 EIEDRO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]Cc1ccc(C#N)cn1 ZINC000812732287 1049552493 /nfs/dbraw/zinc/55/24/93/1049552493.db2.gz ZJAYIBICLIHFJW-OAHLLOKOSA-N 1 0 332.451 4.281 20 30 EIEDRO CCc1ccc([C@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)cc1 ZINC001170684897 1049562004 /nfs/dbraw/zinc/56/20/04/1049562004.db2.gz YSWHDVKVKUGFGK-NRFANRHFSA-N 1 0 334.463 4.379 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000773107488 1049586516 /nfs/dbraw/zinc/58/65/16/1049586516.db2.gz PQYAVZKDXAUVSX-XMSQKQJNSA-N 1 0 329.447 4.347 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000773116969 1049587570 /nfs/dbraw/zinc/58/75/70/1049587570.db2.gz SNDAIBUCEWEHNY-HNAYVOBHSA-N 1 0 340.854 4.411 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccccc2Br)c1 ZINC000821022038 1049589047 /nfs/dbraw/zinc/58/90/47/1049589047.db2.gz MKYUYXMCZFVAFV-KHPPLWFESA-N 1 0 344.252 4.407 20 30 EIEDRO CC[NH+](CC)CCCN(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC001171390176 1049601822 /nfs/dbraw/zinc/60/18/22/1049601822.db2.gz IJXROPZNENVVBG-OAHLLOKOSA-N 1 0 341.421 4.151 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000237578185 1049632499 /nfs/dbraw/zinc/63/24/99/1049632499.db2.gz GPIRCLZRPXTAKL-CYBMUJFWSA-N 1 0 334.341 4.286 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c(F)cccc3C2)c(C(F)(F)F)c1 ZINC001171419891 1049656953 /nfs/dbraw/zinc/65/69/53/1049656953.db2.gz WMEVGUFZSFHRKB-HNNXBMFYSA-N 1 0 348.343 4.363 20 30 EIEDRO C=CCC1(C(=O)N2CCC3(CCC([NH+](C)C)CC3)CC2)CCCC1 ZINC000615437718 1049680903 /nfs/dbraw/zinc/68/09/03/1049680903.db2.gz JUSNKNQVVLNRON-UHFFFAOYSA-N 1 0 332.532 4.236 20 30 EIEDRO C#CCCCCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000773324187 1049705089 /nfs/dbraw/zinc/70/50/89/1049705089.db2.gz HASOOOFVJSFLHS-UHFFFAOYSA-N 1 0 326.484 4.093 20 30 EIEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC001171489250 1049719383 /nfs/dbraw/zinc/71/93/83/1049719383.db2.gz DZFKQECQHNIBED-GFCCVEGCSA-N 1 0 326.665 4.338 20 30 EIEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171518251 1049745718 /nfs/dbraw/zinc/74/57/18/1049745718.db2.gz USDXPIJNRQUFRU-FZKQIMNGSA-N 1 0 342.364 4.110 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC2(C#N)CCC2)C[C@H]1C(C)(C)C ZINC001171584586 1049750772 /nfs/dbraw/zinc/75/07/72/1049750772.db2.gz IRJZXBLJYQLVHT-HOTGVXAUSA-N 1 0 349.519 4.084 20 30 EIEDRO Cc1cccc2c1CC[C@@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)C2 ZINC001171573080 1049757496 /nfs/dbraw/zinc/75/74/96/1049757496.db2.gz GHFNNKRRQXVUNS-HXUWFJFHSA-N 1 0 346.474 4.267 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000822525523 1049767724 /nfs/dbraw/zinc/76/77/24/1049767724.db2.gz HUXPBZKKVVESET-KRWDZBQOSA-N 1 0 332.451 4.101 20 30 EIEDRO N#CCCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000237817823 1049775667 /nfs/dbraw/zinc/77/56/67/1049775667.db2.gz GWYCPFWGMSAUHA-UHFFFAOYSA-N 1 0 344.462 4.382 20 30 EIEDRO N#Cc1cccc2c1CCCN2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001171746125 1049789147 /nfs/dbraw/zinc/78/91/47/1049789147.db2.gz NVAREOAPAWJJPN-UHFFFAOYSA-N 1 0 345.490 4.497 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000237848584 1049790762 /nfs/dbraw/zinc/79/07/62/1049790762.db2.gz JPODQRVAIHHHPP-UHFFFAOYSA-N 1 0 333.353 4.397 20 30 EIEDRO CC[C@@H]1C[C@H]([NH2+]CC(C)(C)S)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171816520 1049810822 /nfs/dbraw/zinc/81/08/22/1049810822.db2.gz MQYIXLKPBSOPMA-QDMKHBRRSA-N 1 0 344.565 4.241 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CCCC3)CC2)c(C#N)c1C ZINC001171917250 1049819109 /nfs/dbraw/zinc/81/91/09/1049819109.db2.gz VJTGTNUVZALAHA-HNNXBMFYSA-N 1 0 343.471 4.141 20 30 EIEDRO CCC#C[C@H](C)[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001171916377 1049819549 /nfs/dbraw/zinc/81/95/49/1049819549.db2.gz MEXZSCUPXOLBGS-HKUYNNGSSA-N 1 0 348.531 4.147 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC001171920641 1049820534 /nfs/dbraw/zinc/82/05/34/1049820534.db2.gz KKHFVTLCMYICHE-DOTOQJQBSA-N 1 0 341.455 4.278 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001171960568 1049823738 /nfs/dbraw/zinc/82/37/38/1049823738.db2.gz BXQMTGIZOSJKCG-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCCC#N)CC12CCCCC2 ZINC001172050833 1049843355 /nfs/dbraw/zinc/84/33/55/1049843355.db2.gz ZPZDXIZNSWOEFH-KRWDZBQOSA-N 1 0 349.519 4.372 20 30 EIEDRO C#CC(CC)(CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172077805 1049846403 /nfs/dbraw/zinc/84/64/03/1049846403.db2.gz JDMGAFZMTGFUQH-BJWYYQGGSA-N 1 0 334.504 4.089 20 30 EIEDRO N#Cc1ccccc1OCCC[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171022185 1049863510 /nfs/dbraw/zinc/86/35/10/1049863510.db2.gz JLOLOGVEUDMXTH-KRWDZBQOSA-N 1 0 340.854 4.128 20 30 EIEDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)c1C(F)(F)F ZINC001172302096 1049873170 /nfs/dbraw/zinc/87/31/70/1049873170.db2.gz DFDOAEMAIKSVPF-CYBMUJFWSA-N 1 0 348.368 4.306 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCO)c1cccc2ccccc21 ZINC001172301678 1049873399 /nfs/dbraw/zinc/87/33/99/1049873399.db2.gz UGTHGQRUYVPTJG-SBUREZEXSA-N 1 0 344.458 4.356 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC001172301462 1049873418 /nfs/dbraw/zinc/87/34/18/1049873418.db2.gz PDOYGXPWPFLGJI-HSQYWUDLSA-N 1 0 334.463 4.217 20 30 EIEDRO Cc1ccccc1OC1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172306909 1049873768 /nfs/dbraw/zinc/87/37/68/1049873768.db2.gz BISUFEHYTDRZNR-SFHVURJKSA-N 1 0 334.463 4.341 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC001172306719 1049873917 /nfs/dbraw/zinc/87/39/17/1049873917.db2.gz ANXMIQSPNMFSLC-KRWDZBQOSA-N 1 0 332.447 4.084 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1c(F)cccc1Br ZINC001172305697 1049874202 /nfs/dbraw/zinc/87/42/02/1049874202.db2.gz UGQUINILJGTVRR-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001172313233 1049875778 /nfs/dbraw/zinc/87/57/78/1049875778.db2.gz SFHVKTQXHAXCNS-LJQANCHMSA-N 1 0 328.459 4.253 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001172313101 1049875991 /nfs/dbraw/zinc/87/59/91/1049875991.db2.gz PAIDQCRGGZZOSQ-XXBNENTESA-N 1 0 347.506 4.086 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cccc(C)c2F)ccc1OC ZINC000823848486 1049881242 /nfs/dbraw/zinc/88/12/42/1049881242.db2.gz VFMSBIFCLWSKJJ-QGZVFWFLSA-N 1 0 342.414 4.114 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1c2ccc(F)cc2c2c1C[C@H]([NH3+])CC2 ZINC001172297174 1049882886 /nfs/dbraw/zinc/88/28/86/1049882886.db2.gz BTBRYAWNSOEQDS-KBXCAEBGSA-N 1 0 347.437 4.272 20 30 EIEDRO COc1ccc2cccc(CC[NH2+][C@H](C)Cc3ccc(C#N)cc3)c2c1 ZINC001172298617 1049882952 /nfs/dbraw/zinc/88/29/52/1049882952.db2.gz ZEDIQASKSZTOGM-QGZVFWFLSA-N 1 0 344.458 4.483 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)Nc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC001172296945 1049882990 /nfs/dbraw/zinc/88/29/90/1049882990.db2.gz LIUYRPXHKMIQIW-GFCCVEGCSA-N 1 0 333.357 4.079 20 30 EIEDRO CCC[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C1CCC1 ZINC001171036104 1049884038 /nfs/dbraw/zinc/88/40/38/1049884038.db2.gz LEVXSMKGSOXRFQ-HXUWFJFHSA-N 1 0 341.499 4.109 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000823915097 1049884068 /nfs/dbraw/zinc/88/40/68/1049884068.db2.gz KKIPNWHOXABDLH-OFWKBQFLSA-N 1 0 327.255 4.089 20 30 EIEDRO CC[C@H](C)OCC[C@H](C)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001172338157 1049887857 /nfs/dbraw/zinc/88/78/57/1049887857.db2.gz AKBHNTNRLQDWOT-ROUUACIJSA-N 1 0 328.500 4.406 20 30 EIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000180372740 1049888930 /nfs/dbraw/zinc/88/89/30/1049888930.db2.gz FDUUKHYIGCIIRB-CVAIRZPRSA-N 1 0 330.472 4.051 20 30 EIEDRO CCCCCCC[C@H](CC)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001172347478 1049890473 /nfs/dbraw/zinc/89/04/73/1049890473.db2.gz VTLXFJOEXJNVGC-KRWDZBQOSA-N 1 0 340.533 4.050 20 30 EIEDRO CCCCCCC[C@@H](CC)NC1(C(=O)OCC)CC[NH+](CC)CC1 ZINC001172350522 1049892463 /nfs/dbraw/zinc/89/24/63/1049892463.db2.gz OCDSODROYOBCNV-GOSISDBHSA-N 1 0 340.552 4.133 20 30 EIEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001172354279 1049893530 /nfs/dbraw/zinc/89/35/30/1049893530.db2.gz FZYPHKWRCHTLNK-INDMIFKZSA-N 1 0 349.519 4.149 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001172357641 1049894418 /nfs/dbraw/zinc/89/44/18/1049894418.db2.gz LFCOTNMBJQOOCP-RTBURBONSA-N 1 0 335.536 4.495 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1COc2c1ccc(Br)c2Cl ZINC001172482108 1049910700 /nfs/dbraw/zinc/91/07/00/1049910700.db2.gz BTNXQGHBJJFQMH-BXKDBHETSA-N 1 0 343.652 4.208 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000616750714 1049916783 /nfs/dbraw/zinc/91/67/83/1049916783.db2.gz KAHKIJHFUCDCKB-FPOVZHCZSA-N 1 0 338.426 4.297 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172496713 1049921691 /nfs/dbraw/zinc/92/16/91/1049921691.db2.gz PFPNKPHNDHBWJT-KRWDZBQOSA-N 1 0 349.519 4.182 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001172495509 1049921765 /nfs/dbraw/zinc/92/17/65/1049921765.db2.gz FILPZMAGUIVZSM-YLJYHZDGSA-N 1 0 349.519 4.182 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001172493795 1049921992 /nfs/dbraw/zinc/92/19/92/1049921992.db2.gz CYGQRPFKGIIINZ-PKOBYXMFSA-N 1 0 347.453 4.306 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCC2(CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001172496540 1049922334 /nfs/dbraw/zinc/92/23/34/1049922334.db2.gz NTLMWSZCKVJOGI-QGZVFWFLSA-N 1 0 349.519 4.324 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH+]1CCN(CCC(C)(C)O)CC1 ZINC001172503060 1049923146 /nfs/dbraw/zinc/92/31/46/1049923146.db2.gz VWCFUYCDSOVYPI-IBGZPJMESA-N 1 0 326.569 4.294 20 30 EIEDRO C[C@@H](CCCC#N)[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172506911 1049925449 /nfs/dbraw/zinc/92/54/49/1049925449.db2.gz LWGHLQRWIZZMPO-INIZCTEOSA-N 1 0 337.508 4.038 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001172508703 1049925717 /nfs/dbraw/zinc/92/57/17/1049925717.db2.gz MXMSFMAYTFZMDC-RTBURBONSA-N 1 0 345.531 4.415 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCc2ccc(NC(=O)OC(C)(C)C)cc2C1 ZINC001172509105 1049925821 /nfs/dbraw/zinc/92/58/21/1049925821.db2.gz JUDUHFGKAVFUPI-HNNXBMFYSA-N 1 0 343.471 4.474 20 30 EIEDRO CCOc1ccc(C(=O)C2CC[NH+]([C@@H](C)CCCC#N)CC2)cc1 ZINC001172507720 1049926090 /nfs/dbraw/zinc/92/60/90/1049926090.db2.gz YLZMGKPEAZVGAY-INIZCTEOSA-N 1 0 328.456 4.062 20 30 EIEDRO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)c1 ZINC001204091771 1049948481 /nfs/dbraw/zinc/94/84/81/1049948481.db2.gz SDXCLSPXDXDBGQ-HXUWFJFHSA-N 1 0 343.430 4.150 20 30 EIEDRO C#CCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172638185 1049954312 /nfs/dbraw/zinc/95/43/12/1049954312.db2.gz UYFWKOXYSDVTOR-ZWKOTPCHSA-N 1 0 336.520 4.338 20 30 EIEDRO CCCC[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172645878 1049954926 /nfs/dbraw/zinc/95/49/26/1049954926.db2.gz PBHHUNIKNZMYGK-MBOZVWFJSA-N 1 0 349.519 4.180 20 30 EIEDRO CC1(C)CC([N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC(C)(C)O1 ZINC001172658934 1049957781 /nfs/dbraw/zinc/95/77/81/1049957781.db2.gz INRMZKZOEBZBGL-IBGZPJMESA-N 1 0 342.483 4.138 20 30 EIEDRO [NH2+]=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc(C(F)(F)F)cc1 ZINC001172708145 1049971428 /nfs/dbraw/zinc/97/14/28/1049971428.db2.gz BYSSLOIWGPPGJL-HNNXBMFYSA-N 1 0 338.760 4.232 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2CC)cc1 ZINC000180993505 1049975165 /nfs/dbraw/zinc/97/51/65/1049975165.db2.gz WPQIVXKMIPEPAH-SJORKVTESA-N 1 0 347.462 4.480 20 30 EIEDRO C=CC[C@H]1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000617781068 1050104021 /nfs/dbraw/zinc/10/40/21/1050104021.db2.gz DGYRMOXYQFBAJY-IBGZPJMESA-N 1 0 340.511 4.103 20 30 EIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763493924 1050115177 /nfs/dbraw/zinc/11/51/77/1050115177.db2.gz UNXSTSJRZQIRLY-XOBRGWDASA-N 1 0 340.854 4.471 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763493921 1050115300 /nfs/dbraw/zinc/11/53/00/1050115300.db2.gz UNXSTSJRZQIRLY-JLTOFOAXSA-N 1 0 340.854 4.471 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1cccc(C#N)c1 ZINC000181401784 1050116051 /nfs/dbraw/zinc/11/60/51/1050116051.db2.gz GADFZLXBISCSOM-LIRRHRJNSA-N 1 0 327.859 4.165 20 30 EIEDRO C=CC(C)(C)C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000617865669 1050116203 /nfs/dbraw/zinc/11/62/03/1050116203.db2.gz LKOFATVIQWAQSZ-UHFFFAOYSA-N 1 0 329.469 4.041 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000181417140 1050120267 /nfs/dbraw/zinc/12/02/67/1050120267.db2.gz CLOTYXMBPGLZJO-YCRPNKLZSA-N 1 0 336.435 4.377 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000181417205 1050120405 /nfs/dbraw/zinc/12/04/05/1050120405.db2.gz NWLBXGQMMJIVAJ-BTYIYWSLSA-N 1 0 336.435 4.377 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1)C1CC1 ZINC000089510445 1050120823 /nfs/dbraw/zinc/12/08/23/1050120823.db2.gz WBJYJSBCQRNEQZ-HXUWFJFHSA-N 1 0 326.484 4.147 20 30 EIEDRO C=C[C@@H]([NH2+]C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 ZINC001172810814 1050161440 /nfs/dbraw/zinc/16/14/40/1050161440.db2.gz IDBXCWDOKKIKNR-XVLXNVKGSA-N 1 0 340.467 4.210 20 30 EIEDRO CC(C)([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(C#N)cc1 ZINC001172899764 1050203372 /nfs/dbraw/zinc/20/33/72/1050203372.db2.gz PGKGYMZPURWGJN-LJQANCHMSA-N 1 0 349.434 4.239 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3nc4ncccc4cc3C#N)cc2)CC1 ZINC001212687802 1050207856 /nfs/dbraw/zinc/20/78/56/1050207856.db2.gz NELUHJKQVOVBGH-UHFFFAOYSA-N 1 0 343.434 4.054 20 30 EIEDRO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001172875733 1050217271 /nfs/dbraw/zinc/21/72/71/1050217271.db2.gz AYOQQYOQDGPWQO-ABAIWWIYSA-N 1 0 339.913 4.095 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC(C)(C)C1 ZINC001172973715 1050250202 /nfs/dbraw/zinc/25/02/02/1050250202.db2.gz GZAZKWBSPFRENW-NCOADZHNSA-N 1 0 349.519 4.082 20 30 EIEDRO CCCC[C@H](CC)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976082 1050251526 /nfs/dbraw/zinc/25/15/26/1050251526.db2.gz LYANOJSNCXYTOA-BBWFWOEESA-N 1 0 337.508 4.084 20 30 EIEDRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981232 1050253458 /nfs/dbraw/zinc/25/34/58/1050253458.db2.gz KTFIQLXYTOJXMV-NXHRZFHOSA-N 1 0 349.519 4.227 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC001173085799 1050299351 /nfs/dbraw/zinc/29/93/51/1050299351.db2.gz GHMGBPIHZAUIPJ-ZDUSSCGKSA-N 1 0 326.362 4.142 20 30 EIEDRO CCCOC1CCC([N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001173102268 1050302472 /nfs/dbraw/zinc/30/24/72/1050302472.db2.gz ISCRQKWYPCQXSJ-GZNCHQMQSA-N 1 0 342.483 4.139 20 30 EIEDRO COC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1cccc(C(F)(F)F)c1 ZINC000618193462 1050305846 /nfs/dbraw/zinc/30/58/46/1050305846.db2.gz FRGXKYRTCCJEIT-SFHVURJKSA-N 1 0 348.368 4.363 20 30 EIEDRO C=CC[C@H]([NH2+]Cc1cc(C)c(C2OCCO2)cc1C)c1ccncc1 ZINC001177884692 1050319292 /nfs/dbraw/zinc/31/92/92/1050319292.db2.gz HLDKZFJMXNSNJZ-FQEVSTJZSA-N 1 0 338.451 4.151 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000181807652 1050340749 /nfs/dbraw/zinc/34/07/49/1050340749.db2.gz UENOXICCMUBRLD-KRWDZBQOSA-N 1 0 325.500 4.081 20 30 EIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Oc1ccccc1F ZINC000181857974 1050354193 /nfs/dbraw/zinc/35/41/93/1050354193.db2.gz PDKMSNYCANQILS-RDJZCZTQSA-N 1 0 342.414 4.236 20 30 EIEDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001173228454 1050357412 /nfs/dbraw/zinc/35/74/12/1050357412.db2.gz XBNQLSYLOOHNFH-MRXNPFEDSA-N 1 0 349.434 4.277 20 30 EIEDRO CC[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2cc3ccn(C(C)=O)c3c(C#N)c2)C1 ZINC001173265823 1050389835 /nfs/dbraw/zinc/38/98/35/1050389835.db2.gz AVOSOJVLELHZNR-KKVAFCGZSA-N 1 0 337.467 4.272 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000181956349 1050397227 /nfs/dbraw/zinc/39/72/27/1050397227.db2.gz QAXNVTUPWVHIKO-DNVCBOLYSA-N 1 0 349.434 4.099 20 30 EIEDRO C=CCOC1CCC([N@H+](CC(=O)OCC)[C@H](C)c2ccccc2)CC1 ZINC001173323301 1050415186 /nfs/dbraw/zinc/41/51/86/1050415186.db2.gz UUGKJPAVKRWWBQ-QHGAOEGBSA-N 1 0 345.483 4.127 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](c3cccc(OC)c3)C2)CC1 ZINC001173323148 1050415426 /nfs/dbraw/zinc/41/54/26/1050415426.db2.gz QOWBBGBXUQXOMA-XEVCZEQESA-N 1 0 329.484 4.388 20 30 EIEDRO C=CCOC1CCC(n2nc(C3CC[NH2+]CC3)c3ccccc32)CC1 ZINC001173322907 1050416051 /nfs/dbraw/zinc/41/60/51/1050416051.db2.gz PMLPETSTMQPJKD-UHFFFAOYSA-N 1 0 339.483 4.190 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)C1 ZINC000618561723 1050416536 /nfs/dbraw/zinc/41/65/36/1050416536.db2.gz WNXPJSSAILXBMU-JTDSTZFVSA-N 1 0 331.891 4.149 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC001173324887 1050417452 /nfs/dbraw/zinc/41/74/52/1050417452.db2.gz XAQNDZVOESLWAN-MWHAMWOXSA-N 1 0 333.273 4.498 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@](C)([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173323844 1050417956 /nfs/dbraw/zinc/41/79/56/1050417956.db2.gz BISNYJRMFDAYRF-UHYCVJNDSA-N 1 0 349.519 4.228 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)C1 ZINC000618570456 1050419265 /nfs/dbraw/zinc/41/92/65/1050419265.db2.gz CNVXAXDAQADTHF-LAUBAEHRSA-N 1 0 332.447 4.460 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001173327553 1050420149 /nfs/dbraw/zinc/42/01/49/1050420149.db2.gz OHABULPHGDFLDK-TVPLGVNVSA-N 1 0 332.513 4.152 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC001173330268 1050420563 /nfs/dbraw/zinc/42/05/63/1050420563.db2.gz MUKGPIBZJWORKO-UHFFFAOYSA-N 1 0 342.668 4.060 20 30 EIEDRO N#CCC1CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC001173333444 1050422646 /nfs/dbraw/zinc/42/26/46/1050422646.db2.gz LQDSHSVOWFGQIC-UHFFFAOYSA-N 1 0 346.902 4.450 20 30 EIEDRO Cn1c2ccccc2nc1C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337303 1050428677 /nfs/dbraw/zinc/42/86/77/1050428677.db2.gz GBTMPLFQHRZZJL-UHFFFAOYSA-N 1 0 336.483 4.225 20 30 EIEDRO N#CCC1CCC([NH+]2CCC(C(=O)c3ccccc3F)CC2)CC1 ZINC001173340842 1050429713 /nfs/dbraw/zinc/42/97/13/1050429713.db2.gz MGVAXBLUEGBHLR-UHFFFAOYSA-N 1 0 328.431 4.193 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H](c2cccc(F)c2)C2CCOCC2)CC1 ZINC001173314196 1050438947 /nfs/dbraw/zinc/43/89/47/1050438947.db2.gz LWJJJAFAIYUXLP-CBNMVNINSA-N 1 0 347.474 4.397 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC001173315973 1050439506 /nfs/dbraw/zinc/43/95/06/1050439506.db2.gz UNAIBESMSMNVBJ-UHFFFAOYSA-N 1 0 330.291 4.114 20 30 EIEDRO C=CCOC1CCC(NC(=[NH2+])Cc2cccc(C(F)(F)F)c2)CC1 ZINC001173317255 1050439785 /nfs/dbraw/zinc/43/97/85/1050439785.db2.gz TYMCVTBNBZAJEC-UHFFFAOYSA-N 1 0 340.389 4.329 20 30 EIEDRO C=CCOC1CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC001173314990 1050439806 /nfs/dbraw/zinc/43/98/06/1050439806.db2.gz YSFQXHFHMDZIJO-ZUEPYMLJSA-N 1 0 344.282 4.130 20 30 EIEDRO C=CCOC1CCC([N@H+](C)Cc2ccccc2Br)CC1 ZINC001173320291 1050441766 /nfs/dbraw/zinc/44/17/66/1050441766.db2.gz FCFNZQBXUMFRSV-UHFFFAOYSA-N 1 0 338.289 4.395 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccccc3F)C2)c1 ZINC001178383189 1050449836 /nfs/dbraw/zinc/44/98/36/1050449836.db2.gz XJFDAVGTTQBEGZ-GOSISDBHSA-N 1 0 340.442 4.149 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)[C@@H](O)C(C)C)cc1Cl ZINC001178404314 1050462575 /nfs/dbraw/zinc/46/25/75/1050462575.db2.gz KUISRMAXGTXAKO-KRWDZBQOSA-N 1 0 325.880 4.038 20 30 EIEDRO C[C@@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]Cc1cncc(C#N)c1 ZINC001173553563 1050482051 /nfs/dbraw/zinc/48/20/51/1050482051.db2.gz ZNTYJGANULIDLX-LBPRGKRZSA-N 1 0 334.250 4.371 20 30 EIEDRO C#C[C@H]([NH2+]Cc1ccc(-c2ccccc2Cl)s1)[C@H]1CCCO1 ZINC001178527647 1050491827 /nfs/dbraw/zinc/49/18/27/1050491827.db2.gz DOGGQQWEJCAODP-DLBZAZTESA-N 1 0 331.868 4.339 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC001173586810 1050491936 /nfs/dbraw/zinc/49/19/36/1050491936.db2.gz HMOFNDOLHGDAFB-ARWYELJZSA-N 1 0 333.273 4.498 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173586119 1050492047 /nfs/dbraw/zinc/49/20/47/1050492047.db2.gz IHVYOGRCUKUKRV-VXESANQCSA-N 1 0 349.519 4.086 20 30 EIEDRO COc1ccc(OC(F)(F)F)cc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586165 1050493131 /nfs/dbraw/zinc/49/31/31/1050493131.db2.gz KLHYJVGLCXGEHY-UHFFFAOYSA-N 1 0 342.361 4.156 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@](C)([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173586801 1050493374 /nfs/dbraw/zinc/49/33/74/1050493374.db2.gz HCTHAXOZFVFTJR-RRWXTXHCSA-N 1 0 349.519 4.228 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173590380 1050494893 /nfs/dbraw/zinc/49/48/93/1050494893.db2.gz HPLIVJWVEUATGW-NGEICVOHSA-N 1 0 349.519 4.084 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC2(Cc3ccccc3)CCOCC2)CC1 ZINC001173591129 1050495533 /nfs/dbraw/zinc/49/55/33/1050495533.db2.gz JWKDDPYEGCQTLO-UHFFFAOYSA-N 1 0 326.484 4.088 20 30 EIEDRO Cc1ccc(CN2CCC([NH2+]C3CCC(C)(C#N)CC3)CC2)c(F)c1 ZINC001173590667 1050495580 /nfs/dbraw/zinc/49/55/80/1050495580.db2.gz DRPAJJQOQBVJGP-UHFFFAOYSA-N 1 0 343.490 4.161 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001173592166 1050496155 /nfs/dbraw/zinc/49/61/55/1050496155.db2.gz ISLMIRDWDBQYNA-SCCNAQOGSA-N 1 0 340.467 4.057 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cncn2Cc2ccc(Cl)cc2)CC1 ZINC001173591889 1050497496 /nfs/dbraw/zinc/49/74/96/1050497496.db2.gz WMRSXFHADOXNIR-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO COc1cccc([C@@H]2CSCC[N@@H+]2C2CCC(C)(C#N)CC2)c1 ZINC001173597264 1050499513 /nfs/dbraw/zinc/49/95/13/1050499513.db2.gz NTGWHOKVNXWUQX-AVAKVYKDSA-N 1 0 330.497 4.258 20 30 EIEDRO C[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173599124 1050499859 /nfs/dbraw/zinc/49/98/59/1050499859.db2.gz ZXNQAVXWUKRJEH-ZRZPHAQCSA-N 1 0 349.519 4.038 20 30 EIEDRO CCN(C(=O)OC(C)(C)C)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173599224 1050500392 /nfs/dbraw/zinc/50/03/92/1050500392.db2.gz IHSXCIMJRNAYGJ-UHFFFAOYSA-N 1 0 349.519 4.180 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(Br)cc1 ZINC000618741699 1050501001 /nfs/dbraw/zinc/50/10/01/1050501001.db2.gz LHMBRMVYHFCWDA-QGZVFWFLSA-N 1 0 327.225 4.098 20 30 EIEDRO COC(=O)[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC001173600686 1050501299 /nfs/dbraw/zinc/50/12/99/1050501299.db2.gz JHNJOBKBELSTBP-HOIRFXKYSA-N 1 0 340.467 4.085 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000618743065 1050502954 /nfs/dbraw/zinc/50/29/54/1050502954.db2.gz VNZCVXWQYDNHJP-SFHVURJKSA-N 1 0 346.352 4.276 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc(Cl)c1OC ZINC000618743115 1050502985 /nfs/dbraw/zinc/50/29/85/1050502985.db2.gz XDPUGMKPRSRTFJ-QGZVFWFLSA-N 1 0 342.826 4.006 20 30 EIEDRO COc1ccccc1C[C@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC001178601197 1050515949 /nfs/dbraw/zinc/51/59/49/1050515949.db2.gz KOMCBNLYHLMTCV-KRWDZBQOSA-N 1 0 338.451 4.099 20 30 EIEDRO CCOC(=O)C[C@H]1CC[C@@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001173658917 1050520020 /nfs/dbraw/zinc/52/00/20/1050520020.db2.gz SLCMITGOWQSIPY-FUHWJXTLSA-N 1 0 348.874 4.178 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173650358 1050532378 /nfs/dbraw/zinc/53/23/78/1050532378.db2.gz JDUOHPAABARUIV-ULQDDVLXSA-N 1 0 331.456 4.024 20 30 EIEDRO C=CCC1(C[NH2+]Cc2ncc(Br)cc2F)CCCC1 ZINC001178710406 1050537317 /nfs/dbraw/zinc/53/73/17/1050537317.db2.gz YAYMDLKPHDOQTR-UHFFFAOYSA-N 1 0 327.241 4.209 20 30 EIEDRO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618831482 1050545500 /nfs/dbraw/zinc/54/55/00/1050545500.db2.gz UBQGJAFUEQFYGQ-VBKZILBWSA-N 1 0 338.426 4.162 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1F ZINC000618831483 1050546393 /nfs/dbraw/zinc/54/63/93/1050546393.db2.gz UBQGJAFUEQFYGQ-VLIAUNLRSA-N 1 0 338.426 4.162 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702140 1050547435 /nfs/dbraw/zinc/54/74/35/1050547435.db2.gz IOXQEHZIZBXIQZ-RTWAWAEBSA-N 1 0 334.463 4.405 20 30 EIEDRO SCCC[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173707513 1050551085 /nfs/dbraw/zinc/55/10/85/1050551085.db2.gz LPOATVYPBMVRHA-IBGZPJMESA-N 1 0 327.493 4.032 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH2+]CC3(C#N)CCCC3)CC2)cc1 ZINC001173781223 1050569798 /nfs/dbraw/zinc/56/97/98/1050569798.db2.gz CLZORVGSTBZGNP-UHFFFAOYSA-N 1 0 340.467 4.312 20 30 EIEDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)c2cc([N+](=O)[O-])ccc21 ZINC000618988317 1050621815 /nfs/dbraw/zinc/62/18/15/1050621815.db2.gz PILCPRGIAALSPN-VQTJNVASSA-N 1 0 347.418 4.466 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](COC)CC(C)(C)C)ccc1OC ZINC001179034550 1050622075 /nfs/dbraw/zinc/62/20/75/1050622075.db2.gz JYXIUZRZYZNYRX-QGZVFWFLSA-N 1 0 335.488 4.191 20 30 EIEDRO CN(c1ccccc1)c1ccc(C[NH2+]CCc2ccc(C#N)cc2)cn1 ZINC001179142745 1050633029 /nfs/dbraw/zinc/63/30/29/1050633029.db2.gz MABANWJWXBQFOL-UHFFFAOYSA-N 1 0 342.446 4.053 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC001179253361 1050659266 /nfs/dbraw/zinc/65/92/66/1050659266.db2.gz POPMDTDIEZJAFX-PMACEKPBSA-N 1 0 327.855 4.169 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CCCc2ccc(Cl)cc21 ZINC001179344004 1050680236 /nfs/dbraw/zinc/68/02/36/1050680236.db2.gz WYPYDQAMHJZFFD-IBGZPJMESA-N 1 0 339.870 4.445 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC001179583469 1050732547 /nfs/dbraw/zinc/73/25/47/1050732547.db2.gz GRXVJFHGUNMDMN-GOOCMWNKSA-N 1 0 335.900 4.116 20 30 EIEDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC001179645249 1050736539 /nfs/dbraw/zinc/73/65/39/1050736539.db2.gz KOHSZPKLKHSWOD-MRXNPFEDSA-N 1 0 338.451 4.040 20 30 EIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(Br)c1 ZINC001179636977 1050746039 /nfs/dbraw/zinc/74/60/39/1050746039.db2.gz PELDAWAMIFVQSW-UHFFFAOYSA-N 1 0 343.268 4.432 20 30 EIEDRO Cc1cccn2cc(CC[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)nc12 ZINC000619508346 1050794431 /nfs/dbraw/zinc/79/44/31/1050794431.db2.gz CZZOTQMAUWHMTR-OAQYLSRUSA-N 1 0 344.462 4.114 20 30 EIEDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508366 1050797024 /nfs/dbraw/zinc/79/70/24/1050797024.db2.gz JKQKXLUMLUOUDL-WOJBJXKFSA-N 1 0 348.446 4.448 20 30 EIEDRO Cn1nc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c2ccccc21 ZINC000619508720 1050797952 /nfs/dbraw/zinc/79/79/52/1050797952.db2.gz LBTQDBPWQPALIG-LJQANCHMSA-N 1 0 330.435 4.002 20 30 EIEDRO N#Cc1csc(C[NH2+]C[C@@H](Cc2ccccc2)c2ccccn2)c1 ZINC001179821834 1050800589 /nfs/dbraw/zinc/80/05/89/1050800589.db2.gz HOGQWGAMRNYBLL-GOSISDBHSA-N 1 0 333.460 4.131 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)ccc1OCCC(C)C ZINC000619535114 1050814020 /nfs/dbraw/zinc/81/40/20/1050814020.db2.gz QSWGQHZWCAVGEM-MRXNPFEDSA-N 1 0 330.472 4.465 20 30 EIEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001179881670 1050817776 /nfs/dbraw/zinc/81/77/76/1050817776.db2.gz ISDDEHDRUDMAHQ-XLIONFOSSA-N 1 0 333.479 4.077 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000619652459 1050845183 /nfs/dbraw/zinc/84/51/83/1050845183.db2.gz IBCWHRXJCOEWCT-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000619652458 1050845695 /nfs/dbraw/zinc/84/56/95/1050845695.db2.gz IBCWHRXJCOEWCT-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO COc1cc(C[N@@H+]2CC[C@@](C)(CCc3ccccc3)C2)ccc1C#N ZINC001180080846 1050877532 /nfs/dbraw/zinc/87/75/32/1050877532.db2.gz GXZFZIRKIXTALL-JOCHJYFZSA-N 1 0 334.463 4.412 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000619755717 1050882722 /nfs/dbraw/zinc/88/27/22/1050882722.db2.gz QDPIAKGMMKKYCX-HNAYVOBHSA-N 1 0 345.918 4.344 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCCO2 ZINC000619755515 1050883365 /nfs/dbraw/zinc/88/33/65/1050883365.db2.gz ZJAQSUZBSQBEJW-ZDUSSCGKSA-N 1 0 342.826 4.224 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(F)c3cccnc23)cc1Cl ZINC000619748683 1050893879 /nfs/dbraw/zinc/89/38/79/1050893879.db2.gz QNMTULFPVCJSCZ-UHFFFAOYSA-N 1 0 325.774 4.189 20 30 EIEDRO CCOc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1OCC ZINC000619748920 1050895772 /nfs/dbraw/zinc/89/57/72/1050895772.db2.gz SMOUPYKXGTZEKD-UHFFFAOYSA-N 1 0 344.842 4.299 20 30 EIEDRO CC1(C)CCC[C@@H](C[N@@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001180184032 1050896925 /nfs/dbraw/zinc/89/69/25/1050896925.db2.gz KCUYADJMIGKYAM-GOSISDBHSA-N 1 0 325.500 4.287 20 30 EIEDRO Cc1cc(Cl)c2ncc(C#N)c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000619791997 1050918983 /nfs/dbraw/zinc/91/89/83/1050918983.db2.gz NOOIKZHSGHROBS-HUUCEWRRSA-N 1 0 340.858 4.107 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](CCC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153000888 1050926940 /nfs/dbraw/zinc/92/69/40/1050926940.db2.gz BBYSBTHLHKTFRY-IBGZPJMESA-N 1 0 331.460 4.066 20 30 EIEDRO COc1cc(C[N@H+](CCc2ccc(F)cc2)CC(C)C)ccc1C#N ZINC001180258213 1050939003 /nfs/dbraw/zinc/93/90/03/1050939003.db2.gz VGMOOBJWTJGISY-UHFFFAOYSA-N 1 0 340.442 4.407 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC001189278085 1050943916 /nfs/dbraw/zinc/94/39/16/1050943916.db2.gz IJYBSXKZOOSXFD-UHFFFAOYSA-N 1 0 343.515 4.127 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001180280922 1050953800 /nfs/dbraw/zinc/95/38/00/1050953800.db2.gz QIKLAONZGCPNOH-KDURUIRLSA-N 1 0 344.499 4.020 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)c(Br)c1 ZINC001180349308 1050964201 /nfs/dbraw/zinc/96/42/01/1050964201.db2.gz KUVQJGSFLLDIBL-YNEHKIRRSA-N 1 0 337.261 4.191 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001180326764 1050971049 /nfs/dbraw/zinc/97/10/49/1050971049.db2.gz QTBINWMTXXYFCS-BLLLJJGKSA-N 1 0 341.282 4.433 20 30 EIEDRO CO[C@@H](C)c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000183105790 1050981098 /nfs/dbraw/zinc/98/10/98/1050981098.db2.gz HZCHDGKZNJJGSC-KRWDZBQOSA-N 1 0 349.478 4.342 20 30 EIEDRO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620196056 1051056967 /nfs/dbraw/zinc/05/69/67/1051056967.db2.gz LILPYUAGXJTJGE-LJQANCHMSA-N 1 0 340.511 4.007 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 ZINC000183337270 1051084247 /nfs/dbraw/zinc/08/42/47/1051084247.db2.gz YRWVWBASEAXJGL-RDTXWAMCSA-N 1 0 325.843 4.141 20 30 EIEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001180801750 1051086911 /nfs/dbraw/zinc/08/69/11/1051086911.db2.gz IXPKTSIRWIMCFY-DNVCBOLYSA-N 1 0 336.483 4.263 20 30 EIEDRO C=C(C)Cc1ccc(C(=O)N2CC3(CC[NH2+]CC3)c3ccccc32)cc1 ZINC001190224499 1051133108 /nfs/dbraw/zinc/13/31/08/1051133108.db2.gz PHBRVYTXFHOJMG-UHFFFAOYSA-N 1 0 346.474 4.087 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000775366054 1051134557 /nfs/dbraw/zinc/13/45/57/1051134557.db2.gz ZFTUFRIQFKHNTD-INIZCTEOSA-N 1 0 340.467 4.177 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2c(C)cccc2C)cc(OC)c1OC ZINC000773401765 1051160796 /nfs/dbraw/zinc/16/07/96/1051160796.db2.gz SWSXSEITKFWTKG-UHFFFAOYSA-N 1 0 325.452 4.339 20 30 EIEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc3ccccc32)c1 ZINC001190399811 1051168779 /nfs/dbraw/zinc/16/87/79/1051168779.db2.gz QPSMBONUMIUFJH-KRWDZBQOSA-N 1 0 342.442 4.453 20 30 EIEDRO CCCCC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001174781705 1051172722 /nfs/dbraw/zinc/17/27/22/1051172722.db2.gz ZPEFCOMGRXQNEW-IBGZPJMESA-N 1 0 327.472 4.322 20 30 EIEDRO CCCCC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC001174781793 1051173141 /nfs/dbraw/zinc/17/31/41/1051173141.db2.gz ZYGWEYQHYWGNSR-SFHVURJKSA-N 1 0 327.472 4.322 20 30 EIEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758110 1051180639 /nfs/dbraw/zinc/18/06/39/1051180639.db2.gz ACFFQVHIWPSNMU-WMLDXEAASA-N 1 0 340.389 4.031 20 30 EIEDRO Clc1cccc(C#CC[NH+]2CCC(COc3ccccc3)CC2)c1 ZINC001190521152 1051202814 /nfs/dbraw/zinc/20/28/14/1051202814.db2.gz YYRVYLHIBJXFDA-UHFFFAOYSA-N 1 0 339.866 4.483 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC001181417494 1051219824 /nfs/dbraw/zinc/21/98/24/1051219824.db2.gz ANUKFYWZAYQZMT-HIFRSBDPSA-N 1 0 331.378 4.343 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1ccccc1 ZINC000775398748 1051229279 /nfs/dbraw/zinc/22/92/79/1051229279.db2.gz LLPFOPCOXMBSLO-OAQYLSRUSA-N 1 0 328.415 4.133 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1c1ccccc1OC ZINC001190855389 1051286444 /nfs/dbraw/zinc/28/64/44/1051286444.db2.gz QUCSXHMVFOMGNA-LJQANCHMSA-N 1 0 336.435 4.303 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775414248 1051290978 /nfs/dbraw/zinc/29/09/78/1051290978.db2.gz GKLRSCZVXYZVGU-SFHVURJKSA-N 1 0 341.798 4.287 20 30 EIEDRO N#Cc1ccc(C[N@H+](CCc2ccccc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001190865067 1051295839 /nfs/dbraw/zinc/29/58/39/1051295839.db2.gz NOAATFBARVEMIW-UHFFFAOYSA-N 1 0 349.434 4.454 20 30 EIEDRO C=CC[N@H+](C[C@@H]1CN(C2CCCCC2)C(=O)O1)CC1CCCCC1 ZINC001190984126 1051317294 /nfs/dbraw/zinc/31/72/94/1051317294.db2.gz IEUKOXAPMIIGTG-LJQANCHMSA-N 1 0 334.504 4.208 20 30 EIEDRO COC(=O)c1cccc(C[N@H+](C)[C@@H](c2ccccc2)C(C)C)c1C#N ZINC001190954031 1051321637 /nfs/dbraw/zinc/32/16/37/1051321637.db2.gz GMUHEKZZLQTVNR-HXUWFJFHSA-N 1 0 336.435 4.174 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C)c2C)c(C#N)c1C ZINC000183734511 1051323597 /nfs/dbraw/zinc/32/35/97/1051323597.db2.gz OAOVLLWCAJCUHJ-CABCVRRESA-N 1 0 339.439 4.063 20 30 EIEDRO C=CC1CC[NH+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC001191013489 1051325850 /nfs/dbraw/zinc/32/58/50/1051325850.db2.gz LBRRRDXJEFEAHB-DOTOQJQBSA-N 1 0 325.374 4.067 20 30 EIEDRO CCCCCCCNC(=O)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001191098628 1051349822 /nfs/dbraw/zinc/34/98/22/1051349822.db2.gz ZWUDLTBEHHYEGD-UHFFFAOYSA-N 1 0 345.531 4.263 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1 ZINC001181919379 1051353417 /nfs/dbraw/zinc/35/34/17/1051353417.db2.gz CKTWJOBKSMTGTH-LEWJYISDSA-N 1 0 335.447 4.034 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccco1)c1ccc(Br)cc1 ZINC001182035449 1051377066 /nfs/dbraw/zinc/37/70/66/1051377066.db2.gz ZJWVBWTWLHCDLX-DYVFJYSZSA-N 1 0 332.241 4.327 20 30 EIEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CC(=O)Nc1cccc(C#N)c1 ZINC001191194532 1051380461 /nfs/dbraw/zinc/38/04/61/1051380461.db2.gz UJPWZTMKGNAMLM-OAQYLSRUSA-N 1 0 349.478 4.148 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@@H](c2ccccc2)C2CCOCC2)c1 ZINC000775442804 1051385618 /nfs/dbraw/zinc/38/56/18/1051385618.db2.gz UMYDKKRXOIWGAQ-NRFANRHFSA-N 1 0 339.866 4.449 20 30 EIEDRO CCC[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001191258211 1051396525 /nfs/dbraw/zinc/39/65/25/1051396525.db2.gz KWOPDFXIXNNNSN-IFXJQAMLSA-N 1 0 347.890 4.441 20 30 EIEDRO CCCN(CC[NH+]1CCCCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC001182142231 1051404937 /nfs/dbraw/zinc/40/49/37/1051404937.db2.gz YBYDMHJEWBUTIR-UHFFFAOYSA-N 1 0 339.527 4.330 20 30 EIEDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001182205137 1051420678 /nfs/dbraw/zinc/42/06/78/1051420678.db2.gz WXROXFZMNFGUPA-OAQYLSRUSA-N 1 0 342.483 4.041 20 30 EIEDRO CC[C@@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000774169573 1051490519 /nfs/dbraw/zinc/49/05/19/1051490519.db2.gz SJWLMRXUZQQTSW-MSOLQXFVSA-N 1 0 348.368 4.049 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(C#N)cc1 ZINC000774195049 1051494609 /nfs/dbraw/zinc/49/46/09/1051494609.db2.gz ZYUFAFYLCYCDNJ-QZTJIDSGSA-N 1 0 345.487 4.148 20 30 EIEDRO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@H+](CCCC(C)(C)C#N)C1 ZINC001175260127 1051498907 /nfs/dbraw/zinc/49/89/07/1051498907.db2.gz LBGUFWVTXDKXIS-INIZCTEOSA-N 1 0 337.508 4.086 20 30 EIEDRO C#Cc1cccc(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)c1 ZINC001182368396 1051526986 /nfs/dbraw/zinc/52/69/86/1051526986.db2.gz DELPLAYWPLFYPE-LJQANCHMSA-N 1 0 340.264 4.078 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000774361408 1051561598 /nfs/dbraw/zinc/56/15/98/1051561598.db2.gz XYVSBRZICWHFTR-RTBURBONSA-N 1 0 328.843 4.160 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CCC(=O)OC(C)C)C(C)(C)C)cc1 ZINC001192052911 1051626053 /nfs/dbraw/zinc/62/60/53/1051626053.db2.gz PMSHBDVVPVBEFA-UHFFFAOYSA-N 1 0 333.472 4.194 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(CC#N)cc1 ZINC001182573591 1051640755 /nfs/dbraw/zinc/64/07/55/1051640755.db2.gz ABURKLQFTJRSIL-CQSZACIVSA-N 1 0 332.369 4.492 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(CC#N)cc1 ZINC001182573588 1051640881 /nfs/dbraw/zinc/64/08/81/1051640881.db2.gz ABURKLQFTJRSIL-AWEZNQCLSA-N 1 0 332.369 4.492 20 30 EIEDRO CC[N@H+](C)Cc1cccc(CNc2nc3ccccc3cc2C#N)c1 ZINC000774517619 1051643680 /nfs/dbraw/zinc/64/36/80/1051643680.db2.gz OLFSZVOMNLENCI-UHFFFAOYSA-N 1 0 330.435 4.170 20 30 EIEDRO C=CCC(C)(C)C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC001182679048 1051664894 /nfs/dbraw/zinc/66/48/94/1051664894.db2.gz VAEWSNPAXWCPFW-HKUYNNGSSA-N 1 0 330.516 4.470 20 30 EIEDRO COc1ccccc1[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001175621784 1051677500 /nfs/dbraw/zinc/67/75/00/1051677500.db2.gz LTBBVIFUVMMDNH-QGZVFWFLSA-N 1 0 338.426 4.476 20 30 EIEDRO COc1cc(C[N@H+](C)[C@H](C)CSc2ccccc2)ccc1C#N ZINC001182752673 1051683960 /nfs/dbraw/zinc/68/39/60/1051683960.db2.gz CAWSRXQFGZBDPC-OAHLLOKOSA-N 1 0 326.465 4.179 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cc(Cl)ccc1O ZINC000775522430 1051696423 /nfs/dbraw/zinc/69/64/23/1051696423.db2.gz PIZLMEJNYYVIIB-INIZCTEOSA-N 1 0 330.815 4.167 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O ZINC001182843543 1051712846 /nfs/dbraw/zinc/71/28/46/1051712846.db2.gz DQEPJUIZWGALIS-SCTDSRPQSA-N 1 0 344.499 4.058 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC001182844601 1051713061 /nfs/dbraw/zinc/71/30/61/1051713061.db2.gz MVTGMOIXFACRFH-FCEWJHQRSA-N 1 0 330.472 4.137 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001182843858 1051713374 /nfs/dbraw/zinc/71/33/74/1051713374.db2.gz IXNSYLRKNGMDDA-QXSJWSMHSA-N 1 0 329.431 4.078 20 30 EIEDRO C=CCOCCC[NH2+][C@H](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001182917725 1051744860 /nfs/dbraw/zinc/74/48/60/1051744860.db2.gz AMFFMMRXKRHVHF-GFCCVEGCSA-N 1 0 335.797 4.472 20 30 EIEDRO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1C#N ZINC001175797946 1051763540 /nfs/dbraw/zinc/76/35/40/1051763540.db2.gz FASWDLKIRVMTIZ-UHFFFAOYSA-N 1 0 346.434 4.038 20 30 EIEDRO COC(=O)C(C)(C)[C@@H]([NH2+]CCCCC1(C#N)CCC1)c1ccccc1 ZINC001192634498 1051784584 /nfs/dbraw/zinc/78/45/84/1051784584.db2.gz CYLOSPQQJREOAQ-SFHVURJKSA-N 1 0 342.483 4.381 20 30 EIEDRO Fc1ccc([C@@H](CC(F)(F)F)[NH2+]CCCOC(F)(F)F)cc1 ZINC001192681970 1051790649 /nfs/dbraw/zinc/79/06/49/1051790649.db2.gz SCMYRWRNYJBVGX-LLVKDONJSA-N 1 0 333.247 4.335 20 30 EIEDRO C=CCC1(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CCCC1 ZINC001183275455 1051812813 /nfs/dbraw/zinc/81/28/13/1051812813.db2.gz LQHFMTGYTGIZCF-UHFFFAOYSA-N 1 0 332.532 4.285 20 30 EIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC001183453218 1051847252 /nfs/dbraw/zinc/84/72/52/1051847252.db2.gz ARHSPYXBELPEDO-FZKQIMNGSA-N 1 0 344.380 4.265 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001183597773 1051873647 /nfs/dbraw/zinc/87/36/47/1051873647.db2.gz SLXLBXOMXRAGBV-ZWKOTPCHSA-N 1 0 343.515 4.338 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)ccc1C#N ZINC001183863398 1051917638 /nfs/dbraw/zinc/91/76/38/1051917638.db2.gz DEMSEWUYGKIXMB-QGZVFWFLSA-N 1 0 337.492 4.192 20 30 EIEDRO CC(C)[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044983 1051944899 /nfs/dbraw/zinc/94/48/99/1051944899.db2.gz GTAJJGDUYHNBIX-FGZHOGPDSA-N 1 0 334.463 4.371 20 30 EIEDRO CC(C)C1CCC(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 ZINC001184047059 1051947157 /nfs/dbraw/zinc/94/71/57/1051947157.db2.gz ZVQWSNZZXKMGSL-GRERDSQWSA-N 1 0 326.484 4.394 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2ccccc2-c2ccc(C#N)cn2)cc1 ZINC001176295663 1051981405 /nfs/dbraw/zinc/98/14/05/1051981405.db2.gz KRAZMVAUTCYMSS-UHFFFAOYSA-N 1 0 328.419 4.425 20 30 EIEDRO CCc1ccc([C@@H](CNc2ncc(Cl)c(C)c2C#N)[NH+](C)C)cc1 ZINC001184490945 1052012818 /nfs/dbraw/zinc/01/28/18/1052012818.db2.gz DNNXIGGVDLUUER-GOSISDBHSA-N 1 0 342.874 4.192 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001184451741 1052015269 /nfs/dbraw/zinc/01/52/69/1052015269.db2.gz NMNRNEIWSKRCRP-NHYWBVRUSA-N 1 0 348.796 4.008 20 30 EIEDRO CCc1ccc([C@H](CNc2cc(C)cc(F)c2C#N)[NH+](C)C)cc1 ZINC001184501208 1052032609 /nfs/dbraw/zinc/03/26/09/1052032609.db2.gz WYMBNMXHTSNHQK-FQEVSTJZSA-N 1 0 325.431 4.283 20 30 EIEDRO CCc1ccc([C@@H](CNc2cc(C)cc(F)c2C#N)[NH+](C)C)cc1 ZINC001184501209 1052032849 /nfs/dbraw/zinc/03/28/49/1052032849.db2.gz WYMBNMXHTSNHQK-HXUWFJFHSA-N 1 0 325.431 4.283 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000184516188 1052034769 /nfs/dbraw/zinc/03/47/69/1052034769.db2.gz WSXRLYNMAIFTHA-HNNXBMFYSA-N 1 0 349.459 4.411 20 30 EIEDRO CCC1(CC)[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OC ZINC001194090465 1052081554 /nfs/dbraw/zinc/08/15/54/1052081554.db2.gz HZCOHPYZQUCAKQ-SJORKVTESA-N 1 0 339.401 4.240 20 30 EIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001194093741 1052083603 /nfs/dbraw/zinc/08/36/03/1052083603.db2.gz WPGVZLYWGNBKQM-JKSUJKDBSA-N 1 0 340.389 4.260 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1cc(C(F)(F)F)cc(C#N)n1)CC(C)C ZINC001184740120 1052096975 /nfs/dbraw/zinc/09/69/75/1052096975.db2.gz LORIBPPUMYZEFU-OAHLLOKOSA-N 1 0 342.409 4.140 20 30 EIEDRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001194222271 1052111221 /nfs/dbraw/zinc/11/12/21/1052111221.db2.gz QPHYNKZAGJIDJZ-UWJYYQICSA-N 1 0 347.462 4.360 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1ncc(Cl)c(C)c1C#N)c1ccsc1 ZINC001184829734 1052113103 /nfs/dbraw/zinc/11/31/03/1052113103.db2.gz DEQFIFSJVLKUKY-MRXNPFEDSA-N 1 0 348.903 4.472 20 30 EIEDRO N#Cc1c(Cl)nsc1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001184973486 1052136320 /nfs/dbraw/zinc/13/63/20/1052136320.db2.gz SYJCIOPBISUCOU-UHFFFAOYSA-N 1 0 346.887 4.440 20 30 EIEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC001194533577 1052164387 /nfs/dbraw/zinc/16/43/87/1052164387.db2.gz DVTASRRKDCGVEV-GOSISDBHSA-N 1 0 333.863 4.051 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)Cc2ccsc2)ccc1OC ZINC000622266547 1052169045 /nfs/dbraw/zinc/16/90/45/1052169045.db2.gz AJKQEDIXWDDWIY-OAHLLOKOSA-N 1 0 331.481 4.432 20 30 EIEDRO C=CCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000172421319 1052496566 /nfs/dbraw/zinc/49/65/66/1052496566.db2.gz LOOQJWKWYWLSCA-ZDUSSCGKSA-N 1 0 328.378 4.321 20 30 EIEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000072697598 1052571070 /nfs/dbraw/zinc/57/10/70/1052571070.db2.gz ILUUJCAFLQRZLI-HRCADAONSA-N 1 0 345.512 4.140 20 30 EIEDRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000112357591 1052647055 /nfs/dbraw/zinc/64/70/55/1052647055.db2.gz UWWGRELOJREHEW-SFHVURJKSA-N 1 0 341.480 4.196 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCC2CC(F)(F)C2)cc1OC ZINC000623544203 1052673678 /nfs/dbraw/zinc/67/36/78/1052673678.db2.gz SEDZOKAOZYYLST-UHFFFAOYSA-N 1 0 345.817 4.438 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C)c(C)n2)cc1OC ZINC000623546775 1052674839 /nfs/dbraw/zinc/67/48/39/1052674839.db2.gz RHHWSICZWQAYRM-UHFFFAOYSA-N 1 0 346.858 4.215 20 30 EIEDRO Cc1nc(C)c([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000181213503 1052878654 /nfs/dbraw/zinc/87/86/54/1052878654.db2.gz PIPVCUSHXBGVRM-NSHDSACASA-N 1 0 338.398 4.481 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](C)c2nc(C)cs2)ccc1OC ZINC000184111575 1052992587 /nfs/dbraw/zinc/99/25/87/1052992587.db2.gz LCXFGIXUYMRUAC-AWEZNQCLSA-N 1 0 346.496 4.308 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184351248 1052997735 /nfs/dbraw/zinc/99/77/35/1052997735.db2.gz LDHBJFNCZMJJAV-BLLLJJGKSA-N 1 0 334.460 4.235 20 30 EIEDRO C=CCC[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000185242975 1053014754 /nfs/dbraw/zinc/01/47/54/1053014754.db2.gz ULFNSWIBKBQVOW-KRWDZBQOSA-N 1 0 332.451 4.379 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(CC#N)cc2)c(O)c(C(C)(C)C)c1 ZINC000850334385 1053116853 /nfs/dbraw/zinc/11/68/53/1053116853.db2.gz NYLSBKPMTGLTHI-UHFFFAOYSA-N 1 0 338.451 4.054 20 30 EIEDRO C=CCCSCC[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000850354714 1053127714 /nfs/dbraw/zinc/12/77/14/1053127714.db2.gz VOHRCRBYWNNZPU-UHFFFAOYSA-N 1 0 338.908 4.065 20 30 EIEDRO CCCCCCCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000775622759 1053213691 /nfs/dbraw/zinc/21/36/91/1053213691.db2.gz HKSWNUVTAVISPW-QGZVFWFLSA-N 1 0 341.492 4.384 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850557019 1053311792 /nfs/dbraw/zinc/31/17/92/1053311792.db2.gz UKFJZZLZECBLRX-ROUUACIJSA-N 1 0 347.245 4.176 20 30 EIEDRO CCC[N@H+](CCOCCC#N)[C@@H](C)c1ccccc1Br ZINC000338929584 1053340236 /nfs/dbraw/zinc/34/02/36/1053340236.db2.gz QBXRGCNMXPZJKX-AWEZNQCLSA-N 1 0 339.277 4.152 20 30 EIEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN(C)C2CCCC2)c1=S ZINC000764866728 1053346999 /nfs/dbraw/zinc/34/69/99/1053346999.db2.gz VGKAJIZLDLLNBP-UHFFFAOYSA-N 1 0 342.512 4.407 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2nc(C)cs2)cc1 ZINC000764878432 1053352544 /nfs/dbraw/zinc/35/25/44/1053352544.db2.gz BTGGJZDMTJQBAS-AWEZNQCLSA-N 1 0 336.888 4.476 20 30 EIEDRO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC001195350015 1053380393 /nfs/dbraw/zinc/38/03/93/1053380393.db2.gz MGOBOMQYUDCLII-IAGOWNOFSA-N 1 0 349.519 4.276 20 30 EIEDRO C#CC[C@@H]1CCCN(Cc2cccc(Br)c2Cl)C1 ZINC001195464364 1053408208 /nfs/dbraw/zinc/40/82/08/1053408208.db2.gz UEZWPZPWPUIHAA-GFCCVEGCSA-N 1 0 326.665 4.338 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccccc1 ZINC000794815714 1053425817 /nfs/dbraw/zinc/42/58/17/1053425817.db2.gz KYUHYHAOIFDXCT-GUYCJALGSA-N 1 0 329.241 4.259 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2cccc(C)n2)cc1 ZINC000794826845 1053440043 /nfs/dbraw/zinc/44/00/43/1053440043.db2.gz FOXWLLGEYJCNHK-MRXNPFEDSA-N 1 0 330.859 4.415 20 30 EIEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C2CCCCC2)CC1 ZINC001195861646 1053499768 /nfs/dbraw/zinc/49/97/68/1053499768.db2.gz KDPFWAXUBJUCFD-MRXNPFEDSA-N 1 0 339.483 4.178 20 30 EIEDRO C=CCC[C@H]([NH2+]CCC1=CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000794836962 1053505862 /nfs/dbraw/zinc/50/58/62/1053505862.db2.gz QPOWBJKEIVUITI-SFHVURJKSA-N 1 0 334.504 4.278 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)[C@@H](O)c1c(Cl)cccc1Cl ZINC000925487502 1053513047 /nfs/dbraw/zinc/51/30/47/1053513047.db2.gz WOKPMFGMZADPAV-JRPNMDOOSA-N 1 0 329.271 4.333 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C)cc2F)ccc1OC ZINC000865460953 1053514014 /nfs/dbraw/zinc/51/40/14/1053514014.db2.gz SARABLLHCVCJAL-KRWDZBQOSA-N 1 0 342.414 4.114 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc2c(c1)CCO2 ZINC000765360830 1053516068 /nfs/dbraw/zinc/51/60/68/1053516068.db2.gz VYEIZOGAQNHTSR-OAHLLOKOSA-N 1 0 338.476 4.077 20 30 EIEDRO C#CCN(CCSc1ccnc2cc(Cl)ccc21)C1CSC1 ZINC001195978744 1053539137 /nfs/dbraw/zinc/53/91/37/1053539137.db2.gz OWCGHMSIWRJYSL-UHFFFAOYSA-N 1 0 348.924 4.031 20 30 EIEDRO Cc1c(Cl)cccc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000865643211 1053565146 /nfs/dbraw/zinc/56/51/46/1053565146.db2.gz SMGUYEPGKUSLEL-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO Cc1ccc2cc(C[NH2+]C3CCN(c4ccccc4C#N)CC3)[nH]c2c1 ZINC000865695009 1053572509 /nfs/dbraw/zinc/57/25/09/1053572509.db2.gz KSDQZXRIPGZVOQ-UHFFFAOYSA-N 1 0 344.462 4.107 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000865694325 1053572971 /nfs/dbraw/zinc/57/29/71/1053572971.db2.gz BZNHMCODLOMYGF-UHFFFAOYSA-N 1 0 341.405 4.254 20 30 EIEDRO COc1ccc(C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C2CC2)cc1 ZINC000120728288 1053589652 /nfs/dbraw/zinc/58/96/52/1053589652.db2.gz HETAXBFOSWSPEJ-UHFFFAOYSA-N 1 0 349.478 4.210 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000865781965 1053592609 /nfs/dbraw/zinc/59/26/09/1053592609.db2.gz KTRWJEMTWNLPRO-JLJPHGGASA-N 1 0 338.373 4.212 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000852596254 1053594499 /nfs/dbraw/zinc/59/44/99/1053594499.db2.gz YLWLCUHYUREIHN-SFHVURJKSA-N 1 0 348.874 4.023 20 30 EIEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000171935380 1053598815 /nfs/dbraw/zinc/59/88/15/1053598815.db2.gz BSFOQZJZACBUTL-SFHVURJKSA-N 1 0 339.464 4.079 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000852729392 1053606806 /nfs/dbraw/zinc/60/68/06/1053606806.db2.gz MYCQEKIGROYZDI-WOJBJXKFSA-N 1 0 342.870 4.254 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc2c(c1)CCCO2 ZINC000852780008 1053610539 /nfs/dbraw/zinc/61/05/39/1053610539.db2.gz KXACMMQNSDQMOG-ZDUSSCGKSA-N 1 0 326.827 4.387 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC001196322102 1053638584 /nfs/dbraw/zinc/63/85/84/1053638584.db2.gz KUFMPJWJVQVNRH-SZPZYZBQSA-N 1 0 346.474 4.403 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001196328906 1053640820 /nfs/dbraw/zinc/64/08/20/1053640820.db2.gz KBJUEARGAUPUKQ-BETUJISGSA-N 1 0 326.318 4.297 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC001196392800 1053654205 /nfs/dbraw/zinc/65/42/05/1053654205.db2.gz JTDPUJAKKHFQRQ-MRXNPFEDSA-N 1 0 342.389 4.225 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](CCc2ccccc2)c2ccccn2)CC1 ZINC000866261445 1053667069 /nfs/dbraw/zinc/66/70/69/1053667069.db2.gz UPJXRNYOBSHGTD-QHCPKHFHSA-N 1 0 349.522 4.386 20 30 EIEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+]CCc1ccc(C#N)cc1 ZINC000866385672 1053711681 /nfs/dbraw/zinc/71/16/81/1053711681.db2.gz PAEUWZOWFDYKNH-KRWDZBQOSA-N 1 0 329.447 4.260 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccco1 ZINC000866422529 1053723700 /nfs/dbraw/zinc/72/37/00/1053723700.db2.gz OIPHIOBFQLYEIZ-SFHVURJKSA-N 1 0 327.424 4.296 20 30 EIEDRO CCCC(=O)Nc1cccc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c1 ZINC000921543437 1053760823 /nfs/dbraw/zinc/76/08/23/1053760823.db2.gz UVQBMPYDXMIKAH-UHFFFAOYSA-N 1 0 335.451 4.204 20 30 EIEDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(C#N)c(F)c3)C2)cc1 ZINC000776740328 1053818148 /nfs/dbraw/zinc/81/81/48/1053818148.db2.gz KFCMEIFLJOFJSE-VQIMIIECSA-N 1 0 337.442 4.325 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000776744725 1053820217 /nfs/dbraw/zinc/82/02/17/1053820217.db2.gz BLKBDTMMAXNKMS-ZDUSSCGKSA-N 1 0 346.327 4.418 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000776747079 1053825709 /nfs/dbraw/zinc/82/57/09/1053825709.db2.gz XJGAAYOMFPGXFH-KBXCAEBGSA-N 1 0 337.398 4.229 20 30 EIEDRO C#CCCCCCC[N@H+]1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC001197402615 1053895637 /nfs/dbraw/zinc/89/56/37/1053895637.db2.gz KABWVOSZXKZHRR-MRXNPFEDSA-N 1 0 348.512 4.001 20 30 EIEDRO C=CCCC[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC001197378358 1053897994 /nfs/dbraw/zinc/89/79/94/1053897994.db2.gz XQVZTBXDAVASGA-RTWAWAEBSA-N 1 0 327.443 4.416 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cc1 ZINC000113317316 1053918470 /nfs/dbraw/zinc/91/84/70/1053918470.db2.gz WTONIKQASMRAMT-CQSZACIVSA-N 1 0 331.362 4.151 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC)cc1 ZINC000113329648 1053923907 /nfs/dbraw/zinc/92/39/07/1053923907.db2.gz UXKYJAHCGQLLAL-UHFFFAOYSA-N 1 0 329.827 4.041 20 30 EIEDRO CC#CC[N@@H+]1CCC[C@H](C[C@@H](NC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001197587690 1053948338 /nfs/dbraw/zinc/94/83/38/1053948338.db2.gz DDQXAZYESCCPLU-IEBWSBKVSA-N 1 0 348.531 4.195 20 30 EIEDRO C[C@H](C#N)Oc1ccc(CNc2ccc(CC[NH+]3CCCC3)cc2)cc1 ZINC000122483151 1053981965 /nfs/dbraw/zinc/98/19/65/1053981965.db2.gz YVEAJAHFCRUSIO-GOSISDBHSA-N 1 0 349.478 4.228 20 30 EIEDRO C#CCC1([NH2+]CCCCOc2cccc(C(F)(F)F)c2)CCC1 ZINC001198033915 1054061967 /nfs/dbraw/zinc/06/19/67/1054061967.db2.gz PFQFIIIQPQOREJ-UHFFFAOYSA-N 1 0 325.374 4.400 20 30 EIEDRO CCC#C[C@H](C)[NH+]1CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC001198228341 1054104409 /nfs/dbraw/zinc/10/44/09/1054104409.db2.gz FGKBFQNVBLGQIA-INIZCTEOSA-N 1 0 336.520 4.051 20 30 EIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)cc1 ZINC001198242012 1054106986 /nfs/dbraw/zinc/10/69/86/1054106986.db2.gz PKAOCJPLYDBQSZ-QFIPXVFZSA-N 1 0 330.431 4.193 20 30 EIEDRO CCCCCCCOc1ccc(C[NH+]2CCC(NC(C)=O)CC2)cc1 ZINC000123265605 1054123168 /nfs/dbraw/zinc/12/31/68/1054123168.db2.gz MWMXBYZXJZWHIK-UHFFFAOYSA-N 1 0 346.515 4.136 20 30 EIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2csc(-c3ccco3)n2)c1 ZINC000123604726 1054211119 /nfs/dbraw/zinc/21/11/19/1054211119.db2.gz GUKSDFDOXMJBLP-UHFFFAOYSA-N 1 0 340.452 4.453 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2)cc1 ZINC000123663328 1054218485 /nfs/dbraw/zinc/21/84/85/1054218485.db2.gz HTBZLAVXDFUQIF-BEFAXECRSA-N 1 0 331.843 4.202 20 30 EIEDRO C=CC(C)(C)CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001198758044 1054255146 /nfs/dbraw/zinc/25/51/46/1054255146.db2.gz FXDPLHAQWNDMSM-UHFFFAOYSA-N 1 0 343.515 4.439 20 30 EIEDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000872069776 1054376070 /nfs/dbraw/zinc/37/60/70/1054376070.db2.gz VCMUWBDTNBPASU-IYXRBSQSSA-N 1 0 333.457 4.297 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1C#N ZINC000858025743 1054404203 /nfs/dbraw/zinc/40/42/03/1054404203.db2.gz LIEONQDYJXYZGB-OAQYLSRUSA-N 1 0 347.462 4.183 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)CC1 ZINC000872140736 1054412438 /nfs/dbraw/zinc/41/24/38/1054412438.db2.gz XBAQVLDHPPEPDQ-LNLFQRSKSA-N 1 0 341.499 4.403 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000858174252 1054430941 /nfs/dbraw/zinc/43/09/41/1054430941.db2.gz QCRNOWBAUVCTJB-UHFFFAOYSA-N 1 0 346.427 4.004 20 30 EIEDRO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011871 1054444497 /nfs/dbraw/zinc/44/44/97/1054444497.db2.gz BYBWBDVSLGAMHI-YOEHRIQHSA-N 1 0 339.405 4.199 20 30 EIEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC001199761745 1054463700 /nfs/dbraw/zinc/46/37/00/1054463700.db2.gz ZXAQQURXCPUUDR-ROUUACIJSA-N 1 0 339.527 4.088 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000858390022 1054479800 /nfs/dbraw/zinc/47/98/00/1054479800.db2.gz SMOCDMNWHMGXLU-CPCISQLKSA-N 1 0 333.247 4.072 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c4cc(Cl)ccc4[nH]c32)nc1 ZINC000858407920 1054483454 /nfs/dbraw/zinc/48/34/54/1054483454.db2.gz NXCKQQRXFYTHSG-GOSISDBHSA-N 1 0 336.826 4.255 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)Cc2cccc(Br)c2)cc1 ZINC001199905865 1054487899 /nfs/dbraw/zinc/48/78/99/1054487899.db2.gz DSBJVJVUWBIMSE-AWEZNQCLSA-N 1 0 328.253 4.151 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)nc2)cc1 ZINC000873186057 1054503822 /nfs/dbraw/zinc/50/38/22/1054503822.db2.gz CQCOYXMLLXYAJR-AWEZNQCLSA-N 1 0 348.368 4.353 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000124545522 1054542762 /nfs/dbraw/zinc/54/27/62/1054542762.db2.gz SKPJYNHRSHZXMV-MRXNPFEDSA-N 1 0 336.435 4.063 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)Oc1cccc(Cl)c1 ZINC001200980724 1054595637 /nfs/dbraw/zinc/59/56/37/1054595637.db2.gz PMFXYLHVEPIFSL-INIZCTEOSA-N 1 0 332.806 4.298 20 30 EIEDRO Cc1nc(C(C)(C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)sc1C ZINC000124740956 1054604203 /nfs/dbraw/zinc/60/42/03/1054604203.db2.gz QYKLLEQJYVCPIZ-LBPRGKRZSA-N 1 0 329.469 4.076 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](OC)c2ccccc2Cl)cc1 ZINC001201017662 1054610323 /nfs/dbraw/zinc/61/03/23/1054610323.db2.gz OIYDMTMNMFDPIW-HXUWFJFHSA-N 1 0 343.854 4.219 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282209466 1054610891 /nfs/dbraw/zinc/61/08/91/1054610891.db2.gz XULJOFJNIHRQOX-QFBILLFUSA-N 1 0 334.467 4.032 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000781419917 1054612742 /nfs/dbraw/zinc/61/27/42/1054612742.db2.gz GGNQTSWYUIOYNC-OAHLLOKOSA-N 1 0 325.431 4.394 20 30 EIEDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)cc1C#N ZINC000859283428 1054655938 /nfs/dbraw/zinc/65/59/38/1054655938.db2.gz VTWMSSANDOPKBM-MRXNPFEDSA-N 1 0 349.434 4.016 20 30 EIEDRO CCCCCC[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000776153691 1054749219 /nfs/dbraw/zinc/74/92/19/1054749219.db2.gz DLPVNBPLTHJLFE-SFHVURJKSA-N 1 0 327.516 4.471 20 30 EIEDRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000776154442 1054753637 /nfs/dbraw/zinc/75/36/37/1054753637.db2.gz SVOFJHOGAMVENJ-KRWDZBQOSA-N 1 0 338.451 4.269 20 30 EIEDRO Cc1nsc(NCc2ccc(C[NH+]3CCCCCC3)cc2)c1C#N ZINC000553009118 1054757360 /nfs/dbraw/zinc/75/73/60/1054757360.db2.gz BDIIXSFEXWRBRI-UHFFFAOYSA-N 1 0 340.496 4.311 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000776155113 1054759211 /nfs/dbraw/zinc/75/92/11/1054759211.db2.gz YIIJNIVONBRQTD-CQSZACIVSA-N 1 0 346.377 4.084 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776164872 1054777387 /nfs/dbraw/zinc/77/73/87/1054777387.db2.gz KWWWPDPSDZHXGU-QFBILLFUSA-N 1 0 349.434 4.121 20 30 EIEDRO Cc1nsc(NCc2cccc(C[NH+]3CCCCCC3)c2)c1C#N ZINC000553027908 1054782035 /nfs/dbraw/zinc/78/20/35/1054782035.db2.gz UGVMZJHXJZWEQB-UHFFFAOYSA-N 1 0 340.496 4.311 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2ccc(CO)cc2)cc1 ZINC000776167756 1054799264 /nfs/dbraw/zinc/79/92/64/1054799264.db2.gz NPMIQCUAJNIIEY-MRXNPFEDSA-N 1 0 345.870 4.204 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)cc(C)c2O)c1 ZINC000776186211 1054804143 /nfs/dbraw/zinc/80/41/43/1054804143.db2.gz RXLBZBBICUJUTQ-QGZVFWFLSA-N 1 0 344.842 4.325 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1Cl ZINC001201473689 1054827427 /nfs/dbraw/zinc/82/74/27/1054827427.db2.gz WGLCSTHKCDNDDO-KFKAGJAMSA-N 1 0 347.886 4.342 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001201656637 1054877789 /nfs/dbraw/zinc/87/77/89/1054877789.db2.gz UBWFQSUYTMDGLS-CQSZACIVSA-N 1 0 348.288 4.469 20 30 EIEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(I)s1 ZINC001201655892 1054878336 /nfs/dbraw/zinc/87/83/36/1054878336.db2.gz PVDRCQIAHFBNPZ-JTQLQIEISA-N 1 0 335.254 4.187 20 30 EIEDRO CSCCC[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001201698025 1054881175 /nfs/dbraw/zinc/88/11/75/1054881175.db2.gz VCWAVTRYFAOORQ-UHFFFAOYSA-N 1 0 335.476 4.185 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001201813750 1054911920 /nfs/dbraw/zinc/91/19/20/1054911920.db2.gz IUZCAERQVXLDIU-UHFFFAOYSA-N 1 0 345.531 4.113 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC1)C(=O)N(C)C[C@@H]2c1ccccc1 ZINC001201776818 1054915357 /nfs/dbraw/zinc/91/53/57/1054915357.db2.gz MNSOABVXPHRZEO-HXUWFJFHSA-N 1 0 342.527 4.295 20 30 EIEDRO CCCCCCC[N@@H+]1CCCn2cnc(COCc3ccco3)c2C1 ZINC001201776936 1054918857 /nfs/dbraw/zinc/91/88/57/1054918857.db2.gz PNWYLFHXDZMYLZ-UHFFFAOYSA-N 1 0 345.487 4.369 20 30 EIEDRO CCCCCCCCC[NH+]1CCC(NC(=O)c2ccccn2)CC1 ZINC001201852552 1054919827 /nfs/dbraw/zinc/91/98/27/1054919827.db2.gz CXXDQXGGKQWJNB-UHFFFAOYSA-N 1 0 331.504 4.026 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000876562032 1054928529 /nfs/dbraw/zinc/92/85/29/1054928529.db2.gz OCWXXKLGAPKSSW-KURKYZTESA-N 1 0 349.519 4.038 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001201840179 1054933032 /nfs/dbraw/zinc/93/30/32/1054933032.db2.gz WBZFGMYDGRBROR-WOJBJXKFSA-N 1 0 343.515 4.007 20 30 EIEDRO CCCCCCCCCC[N@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001201874801 1054941500 /nfs/dbraw/zinc/94/15/00/1054941500.db2.gz GXRBTLUHPJEALH-LJQANCHMSA-N 1 0 335.536 4.497 20 30 EIEDRO CCCCCCCCCC[N@H+](CCOC)C1CCN(C(C)=O)CC1 ZINC001201874933 1054941698 /nfs/dbraw/zinc/94/16/98/1054941698.db2.gz LQTCLCRCYZUYMA-UHFFFAOYSA-N 1 0 340.552 4.086 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000876673334 1054945914 /nfs/dbraw/zinc/94/59/14/1054945914.db2.gz WBSGBZOBCOAORC-FZMZJTMJSA-N 1 0 348.796 4.085 20 30 EIEDRO CC(C)[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Nc1ccccc1 ZINC000118449331 1054979454 /nfs/dbraw/zinc/97/94/54/1054979454.db2.gz KIUBDTOBNYHWEB-UWJYYQICSA-N 1 0 337.467 4.204 20 30 EIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(C)(C)c3ccc(C#N)cc3)ccc21 ZINC000861906116 1055001083 /nfs/dbraw/zinc/00/10/83/1055001083.db2.gz GVLOJOCXHSARLN-HXUWFJFHSA-N 1 0 347.462 4.023 20 30 EIEDRO N#CCCOCC[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC000339032174 1055005964 /nfs/dbraw/zinc/00/59/64/1055005964.db2.gz CSBWOWGAWMWDMB-INIZCTEOSA-N 1 0 326.362 4.163 20 30 EIEDRO C#C[C@H]([NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1)[C@@H]1CCCO1 ZINC001202073478 1055037325 /nfs/dbraw/zinc/03/73/25/1055037325.db2.gz BPCHDSQINYQSDP-PMACEKPBSA-N 1 0 343.373 4.028 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000877489808 1055063199 /nfs/dbraw/zinc/06/31/99/1055063199.db2.gz SLORITYAWBXSTM-PBHICJAKSA-N 1 0 329.806 4.172 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000877496233 1055065819 /nfs/dbraw/zinc/06/58/19/1055065819.db2.gz OCBQZEAADFZKRO-SAZUREKKSA-N 1 0 332.234 4.296 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCc2ccc(Cl)cc21 ZINC001137121678 1055069406 /nfs/dbraw/zinc/06/94/06/1055069406.db2.gz ZBYURIXCDGEWPT-HNNXBMFYSA-N 1 0 340.854 4.404 20 30 EIEDRO C#C[C@H]([NH2+]CCCP(=O)(OCC)OCC)c1ccc(Cl)cc1 ZINC000877542138 1055077607 /nfs/dbraw/zinc/07/76/07/1055077607.db2.gz WJDJRCKSEGLOED-INIZCTEOSA-N 1 0 343.791 4.260 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000862528580 1055078121 /nfs/dbraw/zinc/07/81/21/1055078121.db2.gz ATACOLXAKBYSOA-GUMYABAYSA-N 1 0 332.447 4.213 20 30 EIEDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000877593875 1055088204 /nfs/dbraw/zinc/08/82/04/1055088204.db2.gz IFBZBFJQZSYGRZ-ZPBXOSQXSA-N 1 0 334.400 4.248 20 30 EIEDRO C=CCCC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC001202258605 1055102368 /nfs/dbraw/zinc/10/23/68/1055102368.db2.gz GZLVLISXASYYCU-UHFFFAOYSA-N 1 0 337.305 4.495 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043086 1055103536 /nfs/dbraw/zinc/10/35/36/1055103536.db2.gz NZPYTLHGTYSPFM-GRYCIOLGSA-N 1 0 329.391 4.034 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H](C)c1cccs1)c1ccccc1 ZINC000877970595 1055164908 /nfs/dbraw/zinc/16/49/08/1055164908.db2.gz PAVUSDYOTKTGCF-BEFAXECRSA-N 1 0 326.465 4.182 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@H+](CC1CC1)C1CCCCC1)c1ccccc1 ZINC000878045878 1055179377 /nfs/dbraw/zinc/17/93/77/1055179377.db2.gz NPVVYUSDLNUUAD-QFIPXVFZSA-N 1 0 338.495 4.472 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C)c1ccccc1 ZINC000878109171 1055189211 /nfs/dbraw/zinc/18/92/11/1055189211.db2.gz NEHYTLHSNXOXOQ-RZFNWQHOSA-N 1 0 346.474 4.305 20 30 EIEDRO COc1ccc([C@H]2C[C@@H]([NH2+][C@@H]3CCc4c3cccc4C#N)CCO2)cc1 ZINC001168606361 1055224447 /nfs/dbraw/zinc/22/44/47/1055224447.db2.gz GBAJNCBIZVNEEE-MTNREXPMSA-N 1 0 348.446 4.064 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000878353335 1055257742 /nfs/dbraw/zinc/25/77/42/1055257742.db2.gz WLPIMMRAWUHYKY-CVEARBPZSA-N 1 0 326.440 4.284 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC001202474993 1055273111 /nfs/dbraw/zinc/27/31/11/1055273111.db2.gz NEHXYMMAKHDHIR-UHFFFAOYSA-N 1 0 332.359 4.126 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)CC1(c2ccccc2)CC1)c1ccccc1 ZINC000878476817 1055321208 /nfs/dbraw/zinc/32/12/08/1055321208.db2.gz RAGZUTPIEFFLLY-QHCPKHFHSA-N 1 0 346.474 4.091 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000878649128 1055367162 /nfs/dbraw/zinc/36/71/62/1055367162.db2.gz XKKCMJWVRQGJTD-GGAORHGYSA-N 1 0 346.474 4.307 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCc3occc32)ccc1OC ZINC000127276416 1055370360 /nfs/dbraw/zinc/37/03/60/1055370360.db2.gz TWUDOIHTQGPZCS-QGZVFWFLSA-N 1 0 327.424 4.410 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc(C#N)cc4F)C3)nc2c1 ZINC000130837832 1055719291 /nfs/dbraw/zinc/71/92/91/1055719291.db2.gz HRIOABOFGSIUNC-QGZVFWFLSA-N 1 0 348.425 4.262 20 30 EIEDRO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273422255 1055806736 /nfs/dbraw/zinc/80/67/36/1055806736.db2.gz KAMJHKHLKNDGPZ-PMACEKPBSA-N 1 0 342.389 4.189 20 30 EIEDRO C[N@H+](Cc1cc(F)ccc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273422260 1055806910 /nfs/dbraw/zinc/80/69/10/1055806910.db2.gz KAMJHKHLKNDGPZ-VQTJNVASSA-N 1 0 342.389 4.189 20 30 EIEDRO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000123067602 1055837094 /nfs/dbraw/zinc/83/70/94/1055837094.db2.gz GVCGNYFXPPXUNK-LAUBAEHRSA-N 1 0 333.479 4.140 20 30 EIEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C)C1 ZINC000542704836 1055849323 /nfs/dbraw/zinc/84/93/23/1055849323.db2.gz KARCVODKUIRFBJ-YFFANZOGSA-N 1 0 327.472 4.058 20 30 EIEDRO N#Cc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000301079650 1055893810 /nfs/dbraw/zinc/89/38/10/1055893810.db2.gz KMUJRPKSUQLKFR-UHFFFAOYSA-N 1 0 325.843 4.288 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CNc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000301205447 1055906651 /nfs/dbraw/zinc/90/66/51/1055906651.db2.gz RJOKJBKUQCOZRT-AWEZNQCLSA-N 1 0 338.411 4.008 20 30 EIEDRO N#Cc1cc(F)ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000301404324 1055933530 /nfs/dbraw/zinc/93/35/30/1055933530.db2.gz SOKUUNQVGMLSAD-IHWFROFDSA-N 1 0 335.426 4.305 20 30 EIEDRO N#Cc1cc(F)ccc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301410262 1055933845 /nfs/dbraw/zinc/93/38/45/1055933845.db2.gz OPNSKZGXTFFOCG-AWEZNQCLSA-N 1 0 329.444 4.083 20 30 EIEDRO N#Cc1cc(NC2CC[NH+](C3CCCCC3)CC2)c2ccccc2n1 ZINC000301471374 1055941002 /nfs/dbraw/zinc/94/10/02/1055941002.db2.gz JWAVIAYSDKDHKI-UHFFFAOYSA-N 1 0 334.467 4.315 20 30 EIEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000301492371 1055942142 /nfs/dbraw/zinc/94/21/42/1055942142.db2.gz IAEOJLMTFXJPEX-STQMWFEESA-N 1 0 343.298 4.457 20 30 EIEDRO N#Cc1cc(N2CCC(CCC[NH+]3CCCC3)CC2)c2ccccc2n1 ZINC000301786633 1055984467 /nfs/dbraw/zinc/98/44/67/1055984467.db2.gz LLRFWXZRIFWPGW-UHFFFAOYSA-N 1 0 348.494 4.199 20 30 EIEDRO N#Cc1ccc2nc(NC3CC[NH+](Cc4ccccc4)CC3)ccc2c1 ZINC000301802671 1055986042 /nfs/dbraw/zinc/98/60/42/1055986042.db2.gz CWMHTHMGNUIKAB-UHFFFAOYSA-N 1 0 342.446 4.183 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)CCOCc1ccccc1)c1ccc(C#N)cc1F ZINC000554116038 1056016917 /nfs/dbraw/zinc/01/69/17/1056016917.db2.gz KBMCAPMINCTTNP-JKSUJKDBSA-N 1 0 326.415 4.343 20 30 EIEDRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000057439277 1056061573 /nfs/dbraw/zinc/06/15/73/1056061573.db2.gz ONVYPIGMJPLYIH-CQSZACIVSA-N 1 0 345.512 4.092 20 30 EIEDRO N#Cc1cccc(C#N)c1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000302827776 1056076861 /nfs/dbraw/zinc/07/68/61/1056076861.db2.gz ICRDBDCZQULTLX-UHFFFAOYSA-N 1 0 330.435 4.028 20 30 EIEDRO CC[NH+](CC)Cc1cccc(CNc2c(F)cc(C#N)cc2F)c1 ZINC000303009220 1056108407 /nfs/dbraw/zinc/10/84/07/1056108407.db2.gz JNQXEBUKEPMTBB-UHFFFAOYSA-N 1 0 329.394 4.290 20 30 EIEDRO C[C@@H]([NH2+]Cc1cnn(-c2cccc(Cl)c2)c1)c1ccc(C#N)cc1 ZINC000360056362 1056177066 /nfs/dbraw/zinc/17/70/66/1056177066.db2.gz IHNJLQZNTBPUTN-CQSZACIVSA-N 1 0 336.826 4.248 20 30 EIEDRO N#CCC1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000542853947 1056280025 /nfs/dbraw/zinc/28/00/25/1056280025.db2.gz MUVUOJDGIYMNIB-UHFFFAOYSA-N 1 0 337.250 4.395 20 30 EIEDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000109093974 1056374592 /nfs/dbraw/zinc/37/45/92/1056374592.db2.gz YJFVWJBWQZOUDF-HNNXBMFYSA-N 1 0 347.418 4.326 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)s1 ZINC000198385048 1056574176 /nfs/dbraw/zinc/57/41/76/1056574176.db2.gz MWENTWVYBDDZNL-UHFFFAOYSA-N 1 0 347.871 4.124 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC3(C2)CCCCCC3)CC1 ZINC000465863288 1056700195 /nfs/dbraw/zinc/70/01/95/1056700195.db2.gz RCWNFSIPKZIDLZ-UHFFFAOYSA-N 1 0 347.547 4.173 20 30 EIEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1c1ccccc1 ZINC000252465864 1056735466 /nfs/dbraw/zinc/73/54/66/1056735466.db2.gz PPORAFBTIHICAP-YLJYHZDGSA-N 1 0 347.462 4.012 20 30 EIEDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000111087382 1056744236 /nfs/dbraw/zinc/74/42/36/1056744236.db2.gz PYIZVIPUAPHUGT-CQSZACIVSA-N 1 0 344.503 4.151 20 30 EIEDRO CC1CC[NH+](CCCNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000111218121 1056772930 /nfs/dbraw/zinc/77/29/30/1056772930.db2.gz DTXPFVWWDLBIIZ-UHFFFAOYSA-N 1 0 325.378 4.111 20 30 EIEDRO C[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000111217667 1056774309 /nfs/dbraw/zinc/77/43/09/1056774309.db2.gz CWWWJFWKRJUEON-STQMWFEESA-N 1 0 325.378 4.109 20 30 EIEDRO N#Cc1cc(F)ccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000111261362 1056779295 /nfs/dbraw/zinc/77/92/95/1056779295.db2.gz ZMMFTXOSFQRPLD-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934878 1056796809 /nfs/dbraw/zinc/79/68/09/1056796809.db2.gz ZKPMWUIQUTVMKV-IRXDYDNUSA-N 1 0 349.478 4.037 20 30 EIEDRO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934034 1056800441 /nfs/dbraw/zinc/80/04/41/1056800441.db2.gz GSULRMJXVNDFQF-IRXDYDNUSA-N 1 0 349.478 4.181 20 30 EIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075766207 1056811986 /nfs/dbraw/zinc/81/19/86/1056811986.db2.gz NBOZNUVBQXLBSB-GOSISDBHSA-N 1 0 338.455 4.399 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1cccc(Cl)c1 ZINC000063505097 1056813775 /nfs/dbraw/zinc/81/37/75/1056813775.db2.gz JKJGJFNCFMNSQS-UHFFFAOYSA-N 1 0 341.842 4.062 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cc(C#N)ccc2F)ccc1Oc1cccnc1 ZINC000742381962 1058585313 /nfs/dbraw/zinc/58/53/13/1058585313.db2.gz UYPSRSHXNGGQPN-UHFFFAOYSA-N 1 0 347.393 4.483 20 30 EIEDRO C#CCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000742385128 1058587520 /nfs/dbraw/zinc/58/75/20/1058587520.db2.gz PNQSWCPRHCLZCW-UHFFFAOYSA-N 1 0 343.854 4.431 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)cc1 ZINC000742391292 1058591721 /nfs/dbraw/zinc/59/17/21/1058591721.db2.gz GNGGIHYKFKLNHT-QGZVFWFLSA-N 1 0 333.435 4.288 20 30 EIEDRO C=C(C[NH2+]Cc1ccccc1I)c1ccccc1 ZINC000742718010 1058755131 /nfs/dbraw/zinc/75/51/31/1058755131.db2.gz JGCHRADZSLMARW-UHFFFAOYSA-N 1 0 349.215 4.094 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1cccc(C#N)c1 ZINC000743492754 1059030298 /nfs/dbraw/zinc/03/02/98/1059030298.db2.gz SCIMPTNDOHIZSX-CQSZACIVSA-N 1 0 344.414 4.004 20 30 EIEDRO CCCCCCC[C@@H](C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000743543749 1059040284 /nfs/dbraw/zinc/04/02/84/1059040284.db2.gz JQOKEAZVBPKKPD-MVCQKVDPSA-N 1 0 337.552 4.298 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1cccc(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000743842650 1059137624 /nfs/dbraw/zinc/13/76/24/1059137624.db2.gz JJEXYQIWYULEND-AUUYWEPGSA-N 1 0 328.843 4.328 20 30 EIEDRO C=CC[N@@H+](Cc1nnc(-c2cccc(F)c2)o1)CC1CCCCC1 ZINC000743849674 1059148156 /nfs/dbraw/zinc/14/81/56/1059148156.db2.gz ZRUIDEOBMLMORK-UHFFFAOYSA-N 1 0 329.419 4.444 20 30 EIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCCOc2ccc(C#N)cc2)c1 ZINC000743853644 1059154630 /nfs/dbraw/zinc/15/46/30/1059154630.db2.gz BFULAPLSNJBEOA-JOCHJYFZSA-N 1 0 349.478 4.230 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000744211467 1059328586 /nfs/dbraw/zinc/32/85/86/1059328586.db2.gz RDXXZWCVVTXUJI-UHFFFAOYSA-N 1 0 349.430 4.032 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cccc3cnccc32)cc1 ZINC000181535202 1059511210 /nfs/dbraw/zinc/51/12/10/1059511210.db2.gz KEEICXACXNRIQH-UHFFFAOYSA-N 1 0 340.348 4.395 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000744447555 1059523861 /nfs/dbraw/zinc/52/38/61/1059523861.db2.gz LLRINNDPUPXQFV-DJJJIMSYSA-N 1 0 349.833 4.256 20 30 EIEDRO COCC[N@H+](CCCOc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000746149854 1060048100 /nfs/dbraw/zinc/04/81/00/1060048100.db2.gz GLSJMXRCUCYPBA-GOSISDBHSA-N 1 0 338.451 4.037 20 30 EIEDRO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000746297522 1060083136 /nfs/dbraw/zinc/08/31/36/1060083136.db2.gz ZSIHUCMPSNLGKO-UHFFFAOYSA-N 1 0 349.478 4.189 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCOc3ccc(OCC)cc32)c1 ZINC000187552307 1060124908 /nfs/dbraw/zinc/12/49/08/1060124908.db2.gz TVJMZTOFRUCEAA-HXUWFJFHSA-N 1 0 339.435 4.264 20 30 EIEDRO C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)c1cccc(C#N)c1 ZINC000766348582 1060273232 /nfs/dbraw/zinc/27/32/32/1060273232.db2.gz AENNTZBKFBBULZ-QGZVFWFLSA-N 1 0 325.500 4.254 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cnn1-c1ccccc1 ZINC000766351507 1060298516 /nfs/dbraw/zinc/29/85/16/1060298516.db2.gz SJFZYWKZXFONJY-HZPDHXFCSA-N 1 0 330.435 4.464 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CSCCS2)cc1 ZINC000766535111 1060509316 /nfs/dbraw/zinc/50/93/16/1060509316.db2.gz MDMXGBUAQUEXKJ-CJNGLKHVSA-N 1 0 343.945 4.317 20 30 EIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCc2cn3ccccc3n2)cc1 ZINC001169009581 1060574292 /nfs/dbraw/zinc/57/42/92/1060574292.db2.gz RNFCXBOPLQHHDO-OAQYLSRUSA-N 1 0 346.478 4.312 20 30 EIEDRO C=CCOCC[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC001169270688 1060755104 /nfs/dbraw/zinc/75/51/04/1060755104.db2.gz JMWVITUJKQKWFR-MRXNPFEDSA-N 1 0 326.278 4.113 20 30 EIEDRO CC[NH+](CC)Cc1cncc(N[C@](C)(C#N)c2ccccc2Cl)c1 ZINC001169388607 1060804550 /nfs/dbraw/zinc/80/45/50/1060804550.db2.gz JMOGMEYZFZOPMN-LJQANCHMSA-N 1 0 342.874 4.428 20 30 EIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(Nc2cccn(CC3CC3)c2=O)cc1 ZINC001169454359 1060821592 /nfs/dbraw/zinc/82/15/92/1060821592.db2.gz HHHIYXGNAFFLID-NRFANRHFSA-N 1 0 349.478 4.325 20 30 EIEDRO C=CCc1c(Cl)ncnc1N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001169683700 1060896455 /nfs/dbraw/zinc/89/64/55/1060896455.db2.gz NISGJDHCOZOUCY-OAHLLOKOSA-N 1 0 328.847 4.099 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncc(C(F)(F)F)cc1C#N ZINC001169685553 1060898075 /nfs/dbraw/zinc/89/80/75/1060898075.db2.gz QZBMOMQKTLOTDC-OAHLLOKOSA-N 1 0 346.356 4.212 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2c(C#N)nccc2c1 ZINC001169689400 1060900802 /nfs/dbraw/zinc/90/08/02/1060900802.db2.gz DNPLCURNXNAXPU-LJQANCHMSA-N 1 0 328.419 4.347 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(C#N)c(C(F)(F)F)n1 ZINC001169686571 1060900906 /nfs/dbraw/zinc/90/09/06/1060900906.db2.gz XUCLGJKPACIIFR-CQSZACIVSA-N 1 0 346.356 4.212 20 30 EIEDRO C#CC[N@H+](CC)CCCC(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000766897347 1061055964 /nfs/dbraw/zinc/05/59/64/1061055964.db2.gz CYXZEBOTHWGWKV-UHFFFAOYSA-N 1 0 334.891 4.139 20 30 EIEDRO C#CCCC[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000766934250 1061063200 /nfs/dbraw/zinc/06/32/00/1061063200.db2.gz DZGAWIPSZMZZBK-QGZVFWFLSA-N 1 0 329.488 4.175 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)c1cccc(Br)c1 ZINC000767373218 1061216018 /nfs/dbraw/zinc/21/60/18/1061216018.db2.gz LMKQYHSKEVWNSJ-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO C[N+](C)(C1CCCC1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000182056312 717157550 /nfs/dbraw/zinc/15/75/50/717157550.db2.gz AKYGRTDTEXQXFT-INIZCTEOSA-N 1 0 342.290 4.118 20 30 EIEDRO Cc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c(C#N)c(C)c1Cl ZINC001165046797 721965683 /nfs/dbraw/zinc/96/56/83/721965683.db2.gz OTPYWBBKKVLLEQ-MRXNPFEDSA-N 1 0 346.906 4.068 20 30 EIEDRO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000729685219 1032165578 /nfs/dbraw/zinc/16/55/78/1032165578.db2.gz YPOYFUHLJANOGY-FOIQADDNSA-N 1 0 336.435 4.153 20 30 EIEDRO CCC(C#N)(CC)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000529178751 1032198675 /nfs/dbraw/zinc/19/86/75/1032198675.db2.gz IDTFHGAYJOOSRW-UHFFFAOYSA-N 1 0 336.439 4.155 20 30 EIEDRO CCc1nc(CC[NH2+]Cc2cccc(OCCCC#N)c2)sc1C ZINC000237050613 1032218042 /nfs/dbraw/zinc/21/80/42/1032218042.db2.gz OXVGJWJXKMUMKB-UHFFFAOYSA-N 1 0 343.496 4.029 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OCCCC#N ZINC000237149325 1032223527 /nfs/dbraw/zinc/22/35/27/1032223527.db2.gz JIWNTBWHPZGELY-SOLBZPMBSA-N 1 0 330.472 4.292 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc3cccnc32)c1 ZINC000237823309 1032237597 /nfs/dbraw/zinc/23/75/97/1032237597.db2.gz FJMLKHRUMBHMCV-UHFFFAOYSA-N 1 0 331.419 4.207 20 30 EIEDRO Cc1cnc([C@H]2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)s1 ZINC000360078879 1032240046 /nfs/dbraw/zinc/24/00/46/1032240046.db2.gz YRTBNDIEOUPQNG-PBHICJAKSA-N 1 0 341.480 4.122 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cc1 ZINC000245501511 1032275557 /nfs/dbraw/zinc/27/55/57/1032275557.db2.gz CXLZJIOYZNMLGL-UTKZUKDTSA-N 1 0 335.451 4.490 20 30 EIEDRO CCC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(C#N)cc1 ZINC000508622818 1032270295 /nfs/dbraw/zinc/27/02/95/1032270295.db2.gz YMQVDVBUYMDODD-UHFFFAOYSA-N 1 0 330.435 4.361 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000532928839 1032392935 /nfs/dbraw/zinc/39/29/35/1032392935.db2.gz RYVXCAVHWUPPKR-CABCVRRESA-N 1 0 347.528 4.243 20 30 EIEDRO C[C@@H](C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000532941977 1032405554 /nfs/dbraw/zinc/40/55/54/1032405554.db2.gz PGFUHMSXHBDBJM-RBUKOAKNSA-N 1 0 349.478 4.057 20 30 EIEDRO CC[C@H](c1ccccc1)[N@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000532934925 1032412016 /nfs/dbraw/zinc/41/20/16/1032412016.db2.gz JMFMNTXORQEQHM-HXUWFJFHSA-N 1 0 335.451 4.360 20 30 EIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C(C)C ZINC000533246430 1032562188 /nfs/dbraw/zinc/56/21/88/1032562188.db2.gz NVCUEBXIUIEKJD-UHFFFAOYSA-N 1 0 344.503 4.151 20 30 EIEDRO CC(C)(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000533301372 1032630832 /nfs/dbraw/zinc/63/08/32/1032630832.db2.gz ATMHDNXVOADSNY-OAHLLOKOSA-N 1 0 333.501 4.097 20 30 EIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000533448801 1032763188 /nfs/dbraw/zinc/76/31/88/1032763188.db2.gz RDUVUXVHGQTOFJ-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000455245228 1032768473 /nfs/dbraw/zinc/76/84/73/1032768473.db2.gz KVZSLEZSXZOMCW-IYBDPMFKSA-N 1 0 329.488 4.095 20 30 EIEDRO C=CCCCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000274588538 1018820526 /nfs/dbraw/zinc/82/05/26/1018820526.db2.gz MRUPRDANVAFLDC-CYBMUJFWSA-N 1 0 328.378 4.368 20 30 EIEDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000430188317 1019061610 /nfs/dbraw/zinc/06/16/10/1019061610.db2.gz AVTLKJQSTUOMGL-CYBMUJFWSA-N 1 0 328.403 4.152 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1C ZINC000610216554 1019416079 /nfs/dbraw/zinc/41/60/79/1019416079.db2.gz PYPCIHGSYFYJLR-AEFFLSMTSA-N 1 0 341.499 4.061 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccnc4ccccc34)CC2)cc1 ZINC000535842831 1019711650 /nfs/dbraw/zinc/71/16/50/1019711650.db2.gz ZSBDWTFGPBZTBQ-UHFFFAOYSA-N 1 0 325.415 4.396 20 30 EIEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1F ZINC000512469370 1032848698 /nfs/dbraw/zinc/84/86/98/1032848698.db2.gz QCLWBBPXSBUVKM-OAHLLOKOSA-N 1 0 326.440 4.312 20 30 EIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000339660493 1019785726 /nfs/dbraw/zinc/78/57/26/1019785726.db2.gz HDWRZIGAIADRNE-SFHVURJKSA-N 1 0 348.425 4.020 20 30 EIEDRO N#Cc1ccc(CC[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC001208926308 1019849770 /nfs/dbraw/zinc/84/97/70/1019849770.db2.gz OFQUZBALRGGHQU-UHFFFAOYSA-N 1 0 330.353 4.178 20 30 EIEDRO C=CCC[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000188191787 1019872944 /nfs/dbraw/zinc/87/29/44/1019872944.db2.gz AHJPQVVATPTQNV-SFHVURJKSA-N 1 0 328.500 4.162 20 30 EIEDRO CC(C)CCN(CCC#N)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000339866190 1019987385 /nfs/dbraw/zinc/98/73/85/1019987385.db2.gz MAWHQLCDBXKZPG-HXUWFJFHSA-N 1 0 330.472 4.006 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCSc2ccc(F)cc2)cc1 ZINC000237568780 1032871906 /nfs/dbraw/zinc/87/19/06/1032871906.db2.gz JXLHIRSGGYRMSP-OAHLLOKOSA-N 1 0 344.455 4.389 20 30 EIEDRO CCC(CC)(CC)[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000471233852 1020078421 /nfs/dbraw/zinc/07/84/21/1020078421.db2.gz GCNXSLOZNZTJRN-UHFFFAOYSA-N 1 0 329.488 4.109 20 30 EIEDRO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000180373346 1020105601 /nfs/dbraw/zinc/10/56/01/1020105601.db2.gz RLXPLSXYOJZVMP-PZJWPPBQSA-N 1 0 344.499 4.443 20 30 EIEDRO Cc1cc(C[N@@H+](C)CC2(CC#N)CC2)cc(C)c1OCC(F)(F)F ZINC001167108286 1020184747 /nfs/dbraw/zinc/18/47/47/1020184747.db2.gz NTBPIQWVAVZKKK-UHFFFAOYSA-N 1 0 340.389 4.370 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000116907908 1020192831 /nfs/dbraw/zinc/19/28/31/1020192831.db2.gz JKBFSHXRNDIPCQ-UZLBHIALSA-N 1 0 338.451 4.238 20 30 EIEDRO CCOC(=O)CCCCCC[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001209352874 1020209539 /nfs/dbraw/zinc/20/95/39/1020209539.db2.gz ZFSVFPNQUIEQAZ-UHFFFAOYSA-N 1 0 342.483 4.251 20 30 EIEDRO C=CCCCCCCC[N@@H+]1Cc2cn(CC)nc2[C@@H](COCC)C1 ZINC001209439586 1020344688 /nfs/dbraw/zinc/34/46/88/1020344688.db2.gz TXZCUENVBGYZEF-LJQANCHMSA-N 1 0 333.520 4.365 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(-c2ccc(F)cc2)s1)C[C@H](O)CC#N ZINC001167156560 1020418116 /nfs/dbraw/zinc/41/81/16/1020418116.db2.gz DBTPUAAHMQGEMV-MRXNPFEDSA-N 1 0 332.444 4.039 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](CCC(C)C)C1CCCC1 ZINC001167233275 1020618369 /nfs/dbraw/zinc/61/83/69/1020618369.db2.gz GTTIPYMHRKTOTM-UHFFFAOYSA-N 1 0 330.472 4.236 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001167247880 1020666694 /nfs/dbraw/zinc/66/66/94/1020666694.db2.gz GCIGFIBULGCUSY-SJORKVTESA-N 1 0 340.389 4.269 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001167247877 1020666795 /nfs/dbraw/zinc/66/67/95/1020666795.db2.gz GCIGFIBULGCUSY-DLBZAZTESA-N 1 0 340.389 4.269 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)o1 ZINC000610270669 1020832351 /nfs/dbraw/zinc/83/23/51/1020832351.db2.gz WYKOXDMUHZQJHQ-IUCAKERBSA-N 1 0 340.267 4.150 20 30 EIEDRO Cc1ccc(C[C@@H]([NH2+]Cc2ccc(C#N)s2)c2ccccn2)cc1 ZINC000176970596 1020941737 /nfs/dbraw/zinc/94/17/37/1020941737.db2.gz OTGBBMHGLNVFHE-HXUWFJFHSA-N 1 0 333.460 4.397 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)s1 ZINC000176969466 1020942188 /nfs/dbraw/zinc/94/21/88/1020942188.db2.gz XAIWDEFRHHBPGY-UHFFFAOYSA-N 1 0 344.443 4.453 20 30 EIEDRO Cc1cc(C)c(C#N)c(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000610281355 1020965257 /nfs/dbraw/zinc/96/52/57/1020965257.db2.gz ZTIQTLYBQZQYOX-YJBOKZPZSA-N 1 0 340.496 4.127 20 30 EIEDRO Cc1cc(C)c(C#N)c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000610281352 1020965342 /nfs/dbraw/zinc/96/53/42/1020965342.db2.gz ZTIQTLYBQZQYOX-CRAIPNDOSA-N 1 0 340.496 4.127 20 30 EIEDRO C=CCCCC[NH2+]Cc1ncc(Br)cc1Br ZINC000309286017 1021022048 /nfs/dbraw/zinc/02/20/48/1021022048.db2.gz IQPUMLCMPMTYRL-UHFFFAOYSA-N 1 0 348.082 4.053 20 30 EIEDRO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccccc1-n1ccnn1 ZINC000340446378 1021041873 /nfs/dbraw/zinc/04/18/73/1021041873.db2.gz NSGFDXVAYZUBKG-FXAWDEMLSA-N 1 0 345.450 4.353 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000548944711 1021180575 /nfs/dbraw/zinc/18/05/75/1021180575.db2.gz IALAABIYODXFBV-VQIMIIECSA-N 1 0 343.515 4.031 20 30 EIEDRO C=CC[C@@H](CC)[NH2+][C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000500818987 1032961120 /nfs/dbraw/zinc/96/11/20/1032961120.db2.gz WYOKWRYXBQTYPR-XLIONFOSSA-N 1 0 338.451 4.319 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000610343462 1021338526 /nfs/dbraw/zinc/33/85/26/1021338526.db2.gz HOMYDFJTYAADOW-VXGBXAGGSA-N 1 0 345.805 4.029 20 30 EIEDRO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610346071 1021343445 /nfs/dbraw/zinc/34/34/45/1021343445.db2.gz JUWFNDKFNDZOJI-IAGOWNOFSA-N 1 0 335.451 4.161 20 30 EIEDRO CCN(CC)c1ncc(CN(Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000180028478 1021367461 /nfs/dbraw/zinc/36/74/61/1021367461.db2.gz XXSFVMMTOWTBLL-UHFFFAOYSA-N 1 0 340.496 4.026 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000601138892 1021368031 /nfs/dbraw/zinc/36/80/31/1021368031.db2.gz ZBWLGDHCJBXUGC-NUEKZKHPSA-N 1 0 333.273 4.007 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000510314525 1021374751 /nfs/dbraw/zinc/37/47/51/1021374751.db2.gz KPCLORVFQOYEIN-SFHVURJKSA-N 1 0 342.527 4.145 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000177554092 1021374925 /nfs/dbraw/zinc/37/49/25/1021374925.db2.gz IPIPANGVBWEWFH-QGZVFWFLSA-N 1 0 337.467 4.431 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)c1 ZINC000177690412 1021452580 /nfs/dbraw/zinc/45/25/80/1021452580.db2.gz CYNPXGTWTIVMIN-UHFFFAOYSA-N 1 0 339.395 4.236 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(OCc2ccccc2C)cc1 ZINC000545272621 1021461992 /nfs/dbraw/zinc/46/19/92/1021461992.db2.gz LRBQMAVXDRQFKW-XLIONFOSSA-N 1 0 325.452 4.162 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000275772943 1021599727 /nfs/dbraw/zinc/59/97/27/1021599727.db2.gz ZCWDLJIKLUFRFF-MRXNPFEDSA-N 1 0 331.419 4.034 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]Cc2ccccc2C(F)(F)F)O1 ZINC000376169081 1021646514 /nfs/dbraw/zinc/64/65/14/1021646514.db2.gz WZBWUTGYKJACQQ-SRABZTEZSA-N 1 0 338.373 4.035 20 30 EIEDRO COc1cncc(/C=C\CC[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000580427660 1021777824 /nfs/dbraw/zinc/77/78/24/1021777824.db2.gz IYJAOFWEAWPJFX-RQOWECAXSA-N 1 0 345.446 4.154 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)c(F)c1 ZINC000580249915 1021803724 /nfs/dbraw/zinc/80/37/24/1021803724.db2.gz RFNZRRUWLLDHNZ-MRXNPFEDSA-N 1 0 336.332 4.208 20 30 EIEDRO Cc1ccccc1-n1nccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000581478518 1021854021 /nfs/dbraw/zinc/85/40/21/1021854021.db2.gz VCCJYGWTGTZYEY-NRFANRHFSA-N 1 0 342.446 4.220 20 30 EIEDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000582456529 1021953452 /nfs/dbraw/zinc/95/34/52/1021953452.db2.gz XEFVVSMUGABSCF-PMACEKPBSA-N 1 0 339.870 4.091 20 30 EIEDRO CN(C)[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000582456531 1021954784 /nfs/dbraw/zinc/95/47/84/1021954784.db2.gz XEFVVSMUGABSCF-VQTJNVASSA-N 1 0 339.870 4.091 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(N(C)C)cc1)CC1CCCCC1 ZINC001167391923 1021959363 /nfs/dbraw/zinc/95/93/63/1021959363.db2.gz ORZLOTMRKBQTRU-UHFFFAOYSA-N 1 0 343.515 4.150 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000613426935 1022001224 /nfs/dbraw/zinc/00/12/24/1022001224.db2.gz MGHGHRNYOIARBX-UHFFFAOYSA-N 1 0 326.488 4.070 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1 ZINC000582526238 1022013981 /nfs/dbraw/zinc/01/39/81/1022013981.db2.gz GHIPEMYOSBXPSO-SFTDATJTSA-N 1 0 336.479 4.401 20 30 EIEDRO CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000414173408 1022030012 /nfs/dbraw/zinc/03/00/12/1022030012.db2.gz WZSRSEIKLLJKHO-OAHLLOKOSA-N 1 0 330.476 4.151 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)c3cccnc23)c(F)c1 ZINC000177770796 1022057592 /nfs/dbraw/zinc/05/75/92/1022057592.db2.gz ARDLXODIGMWSMZ-UHFFFAOYSA-N 1 0 325.774 4.189 20 30 EIEDRO Cc1ccc([C@H](O)C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000271062605 1022107308 /nfs/dbraw/zinc/10/73/08/1022107308.db2.gz HPBJOIRGWBVGII-ATKRNPRHSA-N 1 0 334.463 4.022 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415951801 1022288955 /nfs/dbraw/zinc/28/89/55/1022288955.db2.gz JKSSBHUJVUCSIP-LLVKDONJSA-N 1 0 329.366 4.030 20 30 EIEDRO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000180221694 1022313981 /nfs/dbraw/zinc/31/39/81/1022313981.db2.gz XQMWTSNDFXJKRS-HNNXBMFYSA-N 1 0 330.435 4.118 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341294305 1022369568 /nfs/dbraw/zinc/36/95/68/1022369568.db2.gz RSEUAHUJINWJBH-ACJLOTCBSA-N 1 0 341.842 4.280 20 30 EIEDRO COC(=O)c1cccc(C[N@H+](C(C)C)[C@H](C)c2ccccc2)c1C#N ZINC000580691081 1022382014 /nfs/dbraw/zinc/38/20/14/1022382014.db2.gz GZAPQUOEKHNDPE-MRXNPFEDSA-N 1 0 336.435 4.316 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000188025010 1022414238 /nfs/dbraw/zinc/41/42/38/1022414238.db2.gz FNVKMYAITQNUEW-XLIONFOSSA-N 1 0 325.500 4.081 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000414308266 1022474932 /nfs/dbraw/zinc/47/49/32/1022474932.db2.gz SPESXNYDNIRCGU-ACBHZAAOSA-N 1 0 325.456 4.181 20 30 EIEDRO Cc1cc(C)c(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000064950994 1022527544 /nfs/dbraw/zinc/52/75/44/1022527544.db2.gz BKNWLFSCECZJHA-UHFFFAOYSA-N 1 0 347.506 4.191 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(C)cc1-c1ccnn1C ZINC000549403491 1022543437 /nfs/dbraw/zinc/54/34/37/1022543437.db2.gz ABGLOPZZXGCFAX-UHFFFAOYSA-N 1 0 335.451 4.219 20 30 EIEDRO C=CCCCN(CC)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000893197923 1022660466 /nfs/dbraw/zinc/66/04/66/1022660466.db2.gz DZSBFDFAFFWKHA-SJLPKXTDSA-N 1 0 349.544 4.129 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962490 1022725997 /nfs/dbraw/zinc/72/59/97/1022725997.db2.gz BTYILOLPIVWLBN-NQIIRXRSSA-N 1 0 333.479 4.121 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(OC(F)(F)F)c1 ZINC000177861573 1022729247 /nfs/dbraw/zinc/72/92/47/1022729247.db2.gz JISSVDMVAKPWCS-NSHDSACASA-N 1 0 338.304 4.447 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000186712850 1022737236 /nfs/dbraw/zinc/73/72/36/1022737236.db2.gz UPGAZXFIRABTAY-ZANVPECISA-N 1 0 341.295 4.312 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)Cc2cccs2)cc1OCCCC#N ZINC000064613826 1022822585 /nfs/dbraw/zinc/82/25/85/1022822585.db2.gz VANQFTZWXLKTIO-OAHLLOKOSA-N 1 0 344.480 4.160 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181587254 1022823006 /nfs/dbraw/zinc/82/30/06/1022823006.db2.gz UASQCMLWGILIKK-LJQANCHMSA-N 1 0 339.508 4.325 20 30 EIEDRO COc1cc(Br)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000180952339 1022865829 /nfs/dbraw/zinc/86/58/29/1022865829.db2.gz KDSWFBLPLJPGNH-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2c(C)noc2C)cc1 ZINC000156071665 1022896870 /nfs/dbraw/zinc/89/68/70/1022896870.db2.gz YDSWPNPHHJBXGT-CYBMUJFWSA-N 1 0 334.847 4.316 20 30 EIEDRO Cc1ccc(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cn1 ZINC000378642023 1022905290 /nfs/dbraw/zinc/90/52/90/1022905290.db2.gz ZRMNFAGKFRVTRO-UHFFFAOYSA-N 1 0 349.478 4.452 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181285020 1022918728 /nfs/dbraw/zinc/91/87/28/1022918728.db2.gz LQBJXGKCAABOPD-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC001143480324 1022930822 /nfs/dbraw/zinc/93/08/22/1022930822.db2.gz UQFGBVHVTWQGFD-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO COCCC1(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CCCCC1 ZINC000185225147 1023022932 /nfs/dbraw/zinc/02/29/32/1023022932.db2.gz ZELUHZJYPGYZHQ-KRWDZBQOSA-N 1 0 330.472 4.054 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(-c2ccccc2)n1 ZINC000589209869 1023099655 /nfs/dbraw/zinc/09/96/55/1023099655.db2.gz UZBWAUOCOQMNGN-LJQANCHMSA-N 1 0 334.467 4.086 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3nc(CC)sc32)cc1 ZINC000584670597 1023164641 /nfs/dbraw/zinc/16/46/41/1023164641.db2.gz JAKLPRQDDNJHGV-INIZCTEOSA-N 1 0 328.481 4.438 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2cccnc2)c2ccc(F)c(F)c2)C1 ZINC000364040424 1023177807 /nfs/dbraw/zinc/17/78/07/1023177807.db2.gz JDPUZPVCQAJGMS-ACWOFJMJSA-N 1 0 327.378 4.121 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2cccnc2)c2ccc(F)c(F)c2)C1 ZINC000364040428 1023178639 /nfs/dbraw/zinc/17/86/39/1023178639.db2.gz JDPUZPVCQAJGMS-AZOIQLNYSA-N 1 0 327.378 4.121 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)(C)CCC#N)C2 ZINC000368592160 1023191555 /nfs/dbraw/zinc/19/15/55/1023191555.db2.gz KCFRKTQQHAMAJN-FQEVSTJZSA-N 1 0 349.519 4.039 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CC)[C@H](C)c2cccnc2)cc1OC ZINC000581456481 1023236438 /nfs/dbraw/zinc/23/64/38/1023236438.db2.gz HFCAFUNTZIOVAY-MRXNPFEDSA-N 1 0 326.440 4.238 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1c(Br)cncc1Br ZINC000394540130 1023280308 /nfs/dbraw/zinc/28/03/08/1023280308.db2.gz VRUPDERDQLVMPS-VIFPVBQESA-N 1 0 348.082 4.051 20 30 EIEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(F)cc(Cl)cc1Br ZINC001218451089 1023280868 /nfs/dbraw/zinc/28/08/68/1023280868.db2.gz ABUDUMXSGXRYNS-CHWSQXEVSA-N 1 0 348.643 4.317 20 30 EIEDRO Cc1cnn(-c2ccc([C@H](C)[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2F)c1 ZINC000377084889 1023365317 /nfs/dbraw/zinc/36/53/17/1023365317.db2.gz UNFDBGWTZFYPAJ-YQQAZPJKSA-N 1 0 326.419 4.053 20 30 EIEDRO C[C@@H]1CCC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000341226006 1023399801 /nfs/dbraw/zinc/39/98/01/1023399801.db2.gz VERWFQBAFFFUCE-WBVHZDCISA-N 1 0 347.890 4.097 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccccc1 ZINC000341228733 1023405552 /nfs/dbraw/zinc/40/55/52/1023405552.db2.gz MWJGOLNORFYYKT-HXUWFJFHSA-N 1 0 349.478 4.291 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccc(C#N)cc1 ZINC000377261011 1023442204 /nfs/dbraw/zinc/44/22/04/1023442204.db2.gz GUSWINVOZXBYMZ-SFHVURJKSA-N 1 0 325.481 4.329 20 30 EIEDRO COc1ccc(C#N)cc1CN(C)[C@H](C)c1nc2ccccc2s1 ZINC000157346025 1023482052 /nfs/dbraw/zinc/48/20/52/1023482052.db2.gz ORSOHROVQZIJBD-CYBMUJFWSA-N 1 0 337.448 4.370 20 30 EIEDRO CC(C)Oc1ccc(NC(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1C#N ZINC000415307627 1023556354 /nfs/dbraw/zinc/55/63/54/1023556354.db2.gz NYJKEYLZAYTPSO-CYBMUJFWSA-N 1 0 338.411 4.009 20 30 EIEDRO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC1 ZINC000418145917 1023564305 /nfs/dbraw/zinc/56/43/05/1023564305.db2.gz ZLRLDZQQXKVKLU-UHFFFAOYSA-N 1 0 327.409 4.107 20 30 EIEDRO C=CCC[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccco1 ZINC000276503906 1023609922 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Cc1ccc(CNC(=[NH2+])Nc2ccccn2)c(O[C@@H](C)CC(C)C)c1 ZINC000177067438 1023741555 /nfs/dbraw/zinc/74/15/55/1023741555.db2.gz WWHKZOBSPLUIRX-INIZCTEOSA-N 1 0 340.471 4.130 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc(OCC#N)cc1 ZINC000377796128 1023763256 /nfs/dbraw/zinc/76/32/56/1023763256.db2.gz LKVQBPZMMHUROA-DQLDELGASA-N 1 0 336.435 4.160 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(Cl)cc2C#N)C2CC2)cc1 ZINC000187448318 1023832462 /nfs/dbraw/zinc/83/24/62/1023832462.db2.gz FLHZZHDHONCPIW-LJQANCHMSA-N 1 0 326.827 4.461 20 30 EIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC000581907751 1023867659 /nfs/dbraw/zinc/86/76/59/1023867659.db2.gz FKCGISJVUZALTK-UHFFFAOYSA-N 1 0 348.368 4.226 20 30 EIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000157841253 1023893290 /nfs/dbraw/zinc/89/32/90/1023893290.db2.gz RFJALDNSOYZZBJ-CQSZACIVSA-N 1 0 329.875 4.302 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc2c(c1)OCCO2 ZINC000581973278 1023955801 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EIEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000661379094 1024081726 /nfs/dbraw/zinc/08/17/26/1024081726.db2.gz STGFPZBFJZFPDL-KBPBESRZSA-N 1 0 340.389 4.321 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000181787655 1024176742 /nfs/dbraw/zinc/17/67/42/1024176742.db2.gz YVIMSDNSJDGJPC-RWBZWWBESA-N 1 0 343.471 4.045 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000651902112 1024192415 /nfs/dbraw/zinc/19/24/15/1024192415.db2.gz DABBDNHWXYWLRN-UHFFFAOYSA-N 1 0 329.337 4.118 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000651684236 1024197571 /nfs/dbraw/zinc/19/75/71/1024197571.db2.gz DRFYMRNQOAOCAH-VQIMIIECSA-N 1 0 335.451 4.168 20 30 EIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(N2CCOC2=O)cc1 ZINC000278841834 1024214535 /nfs/dbraw/zinc/21/45/35/1024214535.db2.gz QXJYQTNQXUYFIY-OAHLLOKOSA-N 1 0 329.444 4.014 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000651700199 1024231079 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C=CC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)Cc1cccc(C#N)c1 ZINC000549810417 1033225032 /nfs/dbraw/zinc/22/50/32/1033225032.db2.gz MDSBROPIGREFMI-UHFFFAOYSA-N 1 0 348.475 4.208 20 30 EIEDRO CC(C)c1ccc([C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)C(C)C)cc1 ZINC000510923210 1024824446 /nfs/dbraw/zinc/82/44/46/1024824446.db2.gz XAALQDHTKBUWEX-LEWJYISDSA-N 1 0 343.515 4.151 20 30 EIEDRO COc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1SC ZINC000187665120 1024833734 /nfs/dbraw/zinc/83/37/34/1024833734.db2.gz QGYQHBKGOBQOGN-CQSZACIVSA-N 1 0 326.465 4.482 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1-c1ccccc1 ZINC000662086426 1024853262 /nfs/dbraw/zinc/85/32/62/1024853262.db2.gz RRUYYVFYHYCVMN-KDURUIRLSA-N 1 0 332.447 4.475 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000662082431 1024853310 /nfs/dbraw/zinc/85/33/10/1024853310.db2.gz UUHTZFVDDSKYEI-MELADBBJSA-N 1 0 338.373 4.215 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000599543535 1024887002 /nfs/dbraw/zinc/88/70/02/1024887002.db2.gz CUBZECOPULLMRH-GDBMZVCRSA-N 1 0 340.389 4.231 20 30 EIEDRO CCOc1cccc(/C=N/C[C@H](c2ccccc2)[NH+]2CCCC2)c1O ZINC000022769561 1024928722 /nfs/dbraw/zinc/92/87/22/1024928722.db2.gz XDMBYVHNLIZMLZ-QTCOBDOFSA-N 1 0 338.451 4.047 20 30 EIEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000341892970 1024960737 /nfs/dbraw/zinc/96/07/37/1024960737.db2.gz XIJUGJHZXSWJKH-QAPCUYQASA-N 1 0 349.906 4.025 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000341930382 1024998280 /nfs/dbraw/zinc/99/82/80/1024998280.db2.gz LRDPYLUETXVRJN-OXQOHEQNSA-N 1 0 326.484 4.073 20 30 EIEDRO C=CCC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000341930378 1024998349 /nfs/dbraw/zinc/99/83/49/1024998349.db2.gz LQPZIPWSMGXBKA-FQEVSTJZSA-N 1 0 333.435 4.184 20 30 EIEDRO C=CCC1(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000188531374 1025014509 /nfs/dbraw/zinc/01/45/09/1025014509.db2.gz QBCPYWUBDRQOKC-FQEVSTJZSA-N 1 0 340.511 4.103 20 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/nfs/dbraw/zinc/26/72/44/1033267244.db2.gz PFSVBZUAABTXAV-LSDHHAIUSA-N 1 0 334.398 4.295 20 30 EIEDRO N#Cc1cc(CN(Cc2cc(F)ccc2F)C2CCCC2)ccn1 ZINC000610994809 1025241736 /nfs/dbraw/zinc/24/17/36/1025241736.db2.gz RRSACXUDEKSDIT-UHFFFAOYSA-N 1 0 327.378 4.176 20 30 EIEDRO C=CCOCC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000611559857 1025372406 /nfs/dbraw/zinc/37/24/06/1025372406.db2.gz CIUQLDCREVZDQL-CYBMUJFWSA-N 1 0 332.425 4.177 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278915182 1025546253 /nfs/dbraw/zinc/54/62/53/1025546253.db2.gz QWAOIOBDQKFWAF-INIZCTEOSA-N 1 0 334.467 4.032 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C)cc1 ZINC000519198442 1025592454 /nfs/dbraw/zinc/59/24/54/1025592454.db2.gz GVILKLQECJDWLJ-QGZVFWFLSA-N 1 0 338.451 4.067 20 30 EIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000569159661 1025604283 /nfs/dbraw/zinc/60/42/83/1025604283.db2.gz VOBOMOJHRWYYNK-GCJKJVERSA-N 1 0 332.447 4.264 20 30 EIEDRO CCOc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1OCC(C)C ZINC000066972037 1025620462 /nfs/dbraw/zinc/62/04/62/1025620462.db2.gz QQFBJAVCKBGNKI-UHFFFAOYSA-N 1 0 338.451 4.282 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000512029708 1025797190 /nfs/dbraw/zinc/79/71/90/1025797190.db2.gz DHTDDIWTDSQTMD-UHFFFAOYSA-N 1 0 334.467 4.243 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)C2(C3CCCCC3)CCCCC2)CC1 ZINC000472105871 1025836271 /nfs/dbraw/zinc/83/62/71/1025836271.db2.gz JYUZLZAKZYYEBX-UHFFFAOYSA-N 1 0 332.532 4.284 20 30 EIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cnc(-c2ccncc2)s1 ZINC000512045311 1025841324 /nfs/dbraw/zinc/84/13/24/1025841324.db2.gz LZDFKMUZBXXYLO-UHFFFAOYSA-N 1 0 335.476 4.436 20 30 EIEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1cccc(C#N)c1 ZINC000512054833 1025854486 /nfs/dbraw/zinc/85/44/86/1025854486.db2.gz AEQFVSNUMQELCW-UHFFFAOYSA-N 1 0 346.409 4.276 20 30 EIEDRO Cc1c(C#N)cccc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000190428812 1025869933 /nfs/dbraw/zinc/86/99/33/1025869933.db2.gz 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N#C[C@@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000472155684 1026107737 /nfs/dbraw/zinc/10/77/37/1026107737.db2.gz JCUCIPUYHMYGLM-YLJYHZDGSA-N 1 0 342.446 4.321 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000463448021 1026194657 /nfs/dbraw/zinc/19/46/57/1026194657.db2.gz CJEWVCDSJATDIX-KRWDZBQOSA-N 1 0 345.874 4.243 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1CNc1snc(Cl)c1C#N ZINC000051454099 1026208719 /nfs/dbraw/zinc/20/87/19/1026208719.db2.gz RUBODEQEMQZWLQ-UHFFFAOYSA-N 1 0 334.876 4.122 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C3(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000451230554 1026247228 /nfs/dbraw/zinc/24/72/28/1026247228.db2.gz BXDIQKVADAFDFL-UHFFFAOYSA-N 1 0 349.453 4.031 20 30 EIEDRO C#Cc1cccc(N(CC)C(=O)c2ccc(C[NH+](CC)CC)cc2)c1 ZINC000728479042 1026270915 /nfs/dbraw/zinc/27/09/15/1026270915.db2.gz CYFBPHYMIXANPR-UHFFFAOYSA-N 1 0 334.463 4.176 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)cc1OCCCC#N ZINC000344376624 1026324782 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C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCc2cccnc2)cc1 ZINC000507255312 1026723700 /nfs/dbraw/zinc/72/37/00/1026723700.db2.gz ZNFFVJGWCZXCPY-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO C=CC[C@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC000427143680 1026736503 /nfs/dbraw/zinc/73/65/03/1026736503.db2.gz KLPIVLICZYCRJZ-NRFANRHFSA-N 1 0 342.527 4.221 20 30 EIEDRO C=CC[C@@H]1N(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCCC1(C)C ZINC000418673768 1026791353 /nfs/dbraw/zinc/79/13/53/1026791353.db2.gz OFCHFKZJMVPQAR-OALUTQOASA-N 1 0 343.515 4.243 20 30 EIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000512360121 1026803435 /nfs/dbraw/zinc/80/34/35/1026803435.db2.gz SIAPEVLQJQJPAU-RTWAWAEBSA-N 1 0 344.462 4.364 20 30 EIEDRO O[C@@H](C[C@H]1CCCN1CC#Cc1ccccc1Cl)c1cccs1 ZINC000135132744 1026808464 /nfs/dbraw/zinc/80/84/64/1026808464.db2.gz SQAXVTRDSFRLDT-AEFFLSMTSA-N 1 0 345.895 4.341 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000507508326 1026821411 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C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCC[C@H](C)C1 ZINC000507654476 1026862002 /nfs/dbraw/zinc/86/20/02/1026862002.db2.gz UJOPDWMARNFMEH-CDNGDFIJSA-N 1 0 339.527 4.101 20 30 EIEDRO CC[C@@H]1CCCCN1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507645523 1026863903 /nfs/dbraw/zinc/86/39/03/1026863903.db2.gz RWIFCENIZOEJFE-ATKRNPRHSA-N 1 0 339.527 4.245 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000507668399 1026865620 /nfs/dbraw/zinc/86/56/20/1026865620.db2.gz IGQIGMVTRPNSQU-OAQYLSRUSA-N 1 0 334.463 4.434 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000427540445 1026880989 /nfs/dbraw/zinc/88/09/89/1026880989.db2.gz MMZXRDMHGYXFEG-OAQYLSRUSA-N 1 0 342.527 4.317 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000657531482 1026976795 /nfs/dbraw/zinc/97/67/95/1026976795.db2.gz ZWFADVGZFPXXNE-IEBWSBKVSA-N 1 0 337.467 4.377 20 30 EIEDRO N#Cc1ccc(OCCC[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000076581122 1027089623 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N#CC1CCC(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000441332841 1027469379 /nfs/dbraw/zinc/46/93/79/1027469379.db2.gz SDQSXCLGPZKBAK-UHFFFAOYSA-N 1 0 328.847 4.150 20 30 EIEDRO C=CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCCCC1 ZINC000441383518 1027488937 /nfs/dbraw/zinc/48/89/37/1027488937.db2.gz LVTMEGWIETYOJV-UHFFFAOYSA-N 1 0 336.439 4.177 20 30 EIEDRO Cc1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000237731645 1027526381 /nfs/dbraw/zinc/52/63/81/1027526381.db2.gz JLASGRFDNLVGCU-UHFFFAOYSA-N 1 0 348.324 4.063 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1cncc(Br)c1)c1ccccc1 ZINC000353903034 1027574735 /nfs/dbraw/zinc/57/47/35/1027574735.db2.gz VCDIEWOCJGSXDO-QGZVFWFLSA-N 1 0 344.256 4.369 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCc3ccc(O)cc32)ccc1OC ZINC000657693622 1027579730 /nfs/dbraw/zinc/57/97/30/1027579730.db2.gz OBCACDUAXYDIEJ-LJQANCHMSA-N 1 0 339.435 4.133 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OC)c(OCCCC)c2)CC1 ZINC000106246237 1027698313 /nfs/dbraw/zinc/69/83/13/1027698313.db2.gz GXLSNOGTQJNKNM-UHFFFAOYSA-N 1 0 346.515 4.004 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(F)c(C)c2)cc(OC)c1OC ZINC000237314948 1027700431 /nfs/dbraw/zinc/70/04/31/1027700431.db2.gz QMUXZPBYTHVLJP-UHFFFAOYSA-N 1 0 329.415 4.170 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000237870255 1027736392 /nfs/dbraw/zinc/73/63/92/1027736392.db2.gz SQTOISZGIPYICE-UHFFFAOYSA-N 1 0 328.337 4.328 20 30 EIEDRO Cc1cncc(NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)c1 ZINC000329429552 1027776590 /nfs/dbraw/zinc/77/65/90/1027776590.db2.gz HXGJWGPGPPOVMA-MRXNPFEDSA-N 1 0 338.455 4.485 20 30 EIEDRO C[C@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)[C@H]1CCCO1 ZINC000329449218 1027785643 /nfs/dbraw/zinc/78/56/43/1027785643.db2.gz MNRYMTFQUMJSAY-YXJHDRRASA-N 1 0 345.487 4.017 20 30 EIEDRO C[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000328665854 1027789896 /nfs/dbraw/zinc/78/98/96/1027789896.db2.gz ZNIVVNIZMCLFNV-IUODEOHRSA-N 1 0 331.485 4.255 20 30 EIEDRO C=C(C)[C@H]([NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C)c1ccc(F)c(F)c1 ZINC000474932082 1027797924 /nfs/dbraw/zinc/79/79/24/1027797924.db2.gz SOFZBHWOXCLLHJ-BXSJSEAGSA-N 1 0 337.410 4.149 20 30 EIEDRO CCCc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161695369 1027801895 /nfs/dbraw/zinc/80/18/95/1027801895.db2.gz LLLGZDHOQYGKIU-QGZVFWFLSA-N 1 0 348.494 4.225 20 30 EIEDRO CCn1c2ccc(F)cc2nc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000329478266 1027806891 /nfs/dbraw/zinc/80/68/91/1027806891.db2.gz CGQJBNQLFDGVIS-AWEZNQCLSA-N 1 0 332.423 4.048 20 30 EIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C2CCC2)sc2c1CCC2 ZINC000328912994 1027834715 /nfs/dbraw/zinc/83/47/15/1027834715.db2.gz HUNIUGDLGPZFGO-INIZCTEOSA-N 1 0 343.496 4.351 20 30 EIEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1F ZINC000609544870 1027841744 /nfs/dbraw/zinc/84/17/44/1027841744.db2.gz QCQNPHYASIXIJR-UHFFFAOYSA-N 1 0 338.426 4.486 20 30 EIEDRO [NH2+]=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)Nc1cc(F)ccc1F ZINC000262299994 1027881356 /nfs/dbraw/zinc/88/13/56/1027881356.db2.gz PWRGGCDZLYZHFB-VHSXEESVSA-N 1 0 335.320 4.060 20 30 EIEDRO CC(C)(C#N)CCCC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000444654695 1027922524 /nfs/dbraw/zinc/92/25/24/1027922524.db2.gz PKJUPUKHYIDQLI-HXUWFJFHSA-N 1 0 328.500 4.468 20 30 EIEDRO C[C@H]1CSCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444640115 1027935094 /nfs/dbraw/zinc/93/50/94/1027935094.db2.gz BEEXBPNVLJQZDY-SFHVURJKSA-N 1 0 336.504 4.324 20 30 EIEDRO CCC[NH+]1CCC(NC(=O)Nc2ccccc2OC(C)(C)C)CC1 ZINC000331248455 1027945308 /nfs/dbraw/zinc/94/53/08/1027945308.db2.gz NKRQUIUWMKJBGL-UHFFFAOYSA-N 1 0 333.476 4.064 20 30 EIEDRO CC(=O)c1c(C)[nH]c(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1C(C)C ZINC000331291372 1027953061 /nfs/dbraw/zinc/95/30/61/1027953061.db2.gz KSMGQGVLRAVTHF-UHFFFAOYSA-N 1 0 347.503 4.076 20 30 EIEDRO CO[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@@H]1C ZINC000444677135 1027958477 /nfs/dbraw/zinc/95/84/77/1027958477.db2.gz VTCVTLBVKSOGQP-SIKLNZKXSA-N 1 0 348.490 4.243 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C(C)C)cc1 ZINC000237271187 1027960727 /nfs/dbraw/zinc/96/07/27/1027960727.db2.gz BZSIDFFHNTXKCY-HRAATJIYSA-N 1 0 338.451 4.473 20 30 EIEDRO CC1CCC([N@@H+](Cc2ccc(F)cc2C#N)C[C@@H]2CCCO2)CC1 ZINC000441440888 1027961680 /nfs/dbraw/zinc/96/16/80/1027961680.db2.gz AHUHOUQUHXIRAY-OAAAQFAESA-N 1 0 330.447 4.257 20 30 EIEDRO C#CCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000278073588 1027975847 /nfs/dbraw/zinc/97/58/47/1027975847.db2.gz GPGAMSUXHIGRPE-HNNXBMFYSA-N 1 0 326.465 4.021 20 30 EIEDRO FC(F)(F)C[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000444700255 1027988886 /nfs/dbraw/zinc/98/88/86/1027988886.db2.gz FZWAGBWVIDYFAL-ZDUSSCGKSA-N 1 0 335.291 4.331 20 30 EIEDRO C[C@H]([NH2+]C1(CNC(=O)[C@@]2(C)CCCOC2)CCCC1)c1ccccc1 ZINC000329711061 1028064807 /nfs/dbraw/zinc/06/48/07/1028064807.db2.gz OBVNOXXKQVZYAA-PXNSSMCTSA-N 1 0 344.499 4.423 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2nc(Cc3ccccc3)no2)CCCC1(C)C ZINC000444793215 1028076389 /nfs/dbraw/zinc/07/63/89/1028076389.db2.gz RMIPWOSCOYHSJN-QGZVFWFLSA-N 1 0 325.456 4.227 20 30 EIEDRO C#CCOc1ccc(CN[C@@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000154107758 1028098944 /nfs/dbraw/zinc/09/89/44/1028098944.db2.gz ILGJUXMJDTYRMG-QFIPXVFZSA-N 1 0 346.405 4.112 20 30 EIEDRO CN(CCC#N)c1ccc(CN(Cc2ccco2)Cc2ccco2)cc1 ZINC000162569559 1028099180 /nfs/dbraw/zinc/09/91/80/1028099180.db2.gz BBLAPFJMPNNCLQ-UHFFFAOYSA-N 1 0 349.434 4.425 20 30 EIEDRO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000150786615 1028107806 /nfs/dbraw/zinc/10/78/06/1028107806.db2.gz XSXBZYXPXQHHQK-GHTZIAJQSA-N 1 0 340.511 4.266 20 30 EIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2oc(C3CC3)nc2C)C1 ZINC000329785862 1028122597 /nfs/dbraw/zinc/12/25/97/1028122597.db2.gz QFOXZIKJTFEKAK-AWEZNQCLSA-N 1 0 333.476 4.066 20 30 EIEDRO C=CC1CC[NH+](CC(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000523607480 1028260024 /nfs/dbraw/zinc/26/00/24/1028260024.db2.gz CZHYWOYGZVGIOI-UHFFFAOYSA-N 1 0 334.463 4.118 20 30 EIEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000343115054 1028265085 /nfs/dbraw/zinc/26/50/85/1028265085.db2.gz CWVPCXBAAXACIJ-HKUYNNGSSA-N 1 0 330.472 4.052 20 30 EIEDRO CC[NH+]1CCN(c2ccc(N[C@H](C#N)C3CCCCC3)c(C)c2)CC1 ZINC000523740214 1028346329 /nfs/dbraw/zinc/34/63/29/1028346329.db2.gz AFTDKMWIIWHWFL-OAQYLSRUSA-N 1 0 340.515 4.021 20 30 EIEDRO CCC[N@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccccc1OC ZINC000278172198 1028391695 /nfs/dbraw/zinc/39/16/95/1028391695.db2.gz QEWRPROLKQLENF-UHFFFAOYSA-N 1 0 345.487 4.066 20 30 EIEDRO CC(C)c1ccc(CC[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000548791758 1028434576 /nfs/dbraw/zinc/43/45/76/1028434576.db2.gz JCOAYYISQIRPML-UHFFFAOYSA-N 1 0 333.479 4.305 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000278194120 1028473837 /nfs/dbraw/zinc/47/38/37/1028473837.db2.gz FRBUQCARZOEIJP-HXUWFJFHSA-N 1 0 334.467 4.184 20 30 EIEDRO N#CCCC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000346806037 1028665746 /nfs/dbraw/zinc/66/57/46/1028665746.db2.gz AJJQYKPWBKUEBK-KRWDZBQOSA-N 1 0 344.256 4.021 20 30 EIEDRO Cc1ccc(C#N)c(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1 ZINC000346818755 1028683898 /nfs/dbraw/zinc/68/38/98/1028683898.db2.gz DKOZPJKXRJSKMH-SFHVURJKSA-N 1 0 340.858 4.164 20 30 EIEDRO COc1cc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)ccc1C#N ZINC000440807856 1028734963 /nfs/dbraw/zinc/73/49/63/1028734963.db2.gz PEUHONVXGTWNGQ-INIZCTEOSA-N 1 0 334.341 4.350 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2cc(F)ccc2o1)C(C)C ZINC000522735357 1028741774 /nfs/dbraw/zinc/74/17/74/1028741774.db2.gz FLTQWDDVJWMGOA-KRWDZBQOSA-N 1 0 344.430 4.000 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)c1C ZINC000444035875 1028753172 /nfs/dbraw/zinc/75/31/72/1028753172.db2.gz BJYLSFQWVFUKBZ-PKOBYXMFSA-N 1 0 341.499 4.061 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)CC2 ZINC000569630236 1028780514 /nfs/dbraw/zinc/78/05/14/1028780514.db2.gz WPRUFOTVANJWBH-MRXNPFEDSA-N 1 0 332.325 4.234 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000583499459 1028820209 /nfs/dbraw/zinc/82/02/09/1028820209.db2.gz IIMABIUCGBPNLV-CQSZACIVSA-N 1 0 348.475 4.430 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000444082906 1028851191 /nfs/dbraw/zinc/85/11/91/1028851191.db2.gz XGXCOGOJOVECNJ-NRFANRHFSA-N 1 0 347.462 4.286 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000121228813 1028890733 /nfs/dbraw/zinc/89/07/33/1028890733.db2.gz CTCOEWOZCGCTGS-HNNXBMFYSA-N 1 0 343.452 4.159 20 30 EIEDRO N#CC1(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)CCOCC1 ZINC000281897568 1028921726 /nfs/dbraw/zinc/92/17/26/1028921726.db2.gz FKYPSPMLFKIJMY-LJQANCHMSA-N 1 0 330.447 4.357 20 30 EIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(OC(F)F)cc1 ZINC000281886386 1028929790 /nfs/dbraw/zinc/92/97/90/1028929790.db2.gz DLOPOEKNBDQLMO-CQSZACIVSA-N 1 0 338.398 4.039 20 30 EIEDRO N#CC1(CCC[N@@H+](Cc2ccc(F)cc2)CC2CC2)CCOCC1 ZINC000281930294 1028973732 /nfs/dbraw/zinc/97/37/32/1028973732.db2.gz HZRVQYYCRJDRPR-UHFFFAOYSA-N 1 0 330.447 4.138 20 30 EIEDRO C[C@H]1SCC[N@H+](CCOc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000522837412 1028985650 /nfs/dbraw/zinc/98/56/50/1028985650.db2.gz YQJPLBBJSGMYIR-UZLBHIALSA-N 1 0 338.476 4.116 20 30 EIEDRO Cc1cc(C(C)(C)[NH2+]CCCSCC#N)ccc1Br ZINC000583663070 1029010292 /nfs/dbraw/zinc/01/02/92/1029010292.db2.gz LTEVVOVATOFPHP-UHFFFAOYSA-N 1 0 341.318 4.229 20 30 EIEDRO CCOc1ccc(C(C)=O)cc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000661229417 1029049140 /nfs/dbraw/zinc/04/91/40/1029049140.db2.gz DVIDCCOJFDIPOK-UHFFFAOYSA-N 1 0 336.435 4.184 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000445994541 1029059904 /nfs/dbraw/zinc/05/99/04/1029059904.db2.gz WXTVQMDFVPFLLL-BBWFWOEESA-N 1 0 327.390 4.258 20 30 EIEDRO CCC(CC)C[N@H+](CCC#N)CCC(=O)Nc1cccc(F)c1C ZINC000444231646 1029100296 /nfs/dbraw/zinc/10/02/96/1029100296.db2.gz HQBYLZCERWJTEB-UHFFFAOYSA-N 1 0 333.451 4.115 20 30 EIEDRO CC1(C)CCCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000446059637 1029121826 /nfs/dbraw/zinc/12/18/26/1029121826.db2.gz JVKWWKPLIZCZFV-UHFFFAOYSA-N 1 0 337.467 4.250 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000522981670 1029143852 /nfs/dbraw/zinc/14/38/52/1029143852.db2.gz AIYIQUUVOFNXAL-SFHVURJKSA-N 1 0 343.515 4.026 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCc1nc3c(s1)CCCC3)CC2 ZINC000583782688 1029170353 /nfs/dbraw/zinc/17/03/53/1029170353.db2.gz XRKFEJOBXTZABK-KRWDZBQOSA-N 1 0 337.492 4.103 20 30 EIEDRO COc1ccc2[nH]cc(C3CC[NH+](CCC(C)(C)C#N)CC3)c2c1 ZINC000157783588 1029192939 /nfs/dbraw/zinc/19/29/39/1029192939.db2.gz ISLAKLSFYDQLJO-UHFFFAOYSA-N 1 0 325.456 4.296 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000524799412 1029230641 /nfs/dbraw/zinc/23/06/41/1029230641.db2.gz ANTSWIFWPIIZGH-QGZVFWFLSA-N 1 0 349.544 4.273 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2C)cc1OC ZINC000186160950 1029327707 /nfs/dbraw/zinc/32/77/07/1029327707.db2.gz XGKLXDLTDZOAFS-LJQANCHMSA-N 1 0 336.435 4.221 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000186209297 1029368171 /nfs/dbraw/zinc/36/81/71/1029368171.db2.gz JROQYZKIZGDHIT-AWEZNQCLSA-N 1 0 342.389 4.441 20 30 EIEDRO C=CCC[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000343499572 1029371668 /nfs/dbraw/zinc/37/16/68/1029371668.db2.gz UJKCWRBKBKNEPP-UHFFFAOYSA-N 1 0 332.451 4.001 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1Br ZINC000035256363 1029426943 /nfs/dbraw/zinc/42/69/43/1029426943.db2.gz CUWRYJNUWZYJDZ-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO CC[NH+](CC)CCC[C@H](C)Nc1cccc(Br)c1C#N ZINC000168454750 1029454980 /nfs/dbraw/zinc/45/49/80/1029454980.db2.gz FPFAOCOKTYTLNW-ZDUSSCGKSA-N 1 0 338.293 4.243 20 30 EIEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000525274073 1029544547 /nfs/dbraw/zinc/54/45/47/1029544547.db2.gz CLBIGAHDSVFGLZ-KRWDZBQOSA-N 1 0 347.890 4.097 20 30 EIEDRO COc1cccc([C@H](CNc2cccc(C(F)F)c2C#N)[NH+](C)C)c1 ZINC000573024834 1029557190 /nfs/dbraw/zinc/55/71/90/1029557190.db2.gz KGQGQZMOTBUVSY-SFHVURJKSA-N 1 0 345.393 4.219 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000186319928 1029557933 /nfs/dbraw/zinc/55/79/33/1029557933.db2.gz YBJSIVSZWLDKSP-HNNXBMFYSA-N 1 0 333.435 4.066 20 30 EIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](C3CC3)C1)CCC2 ZINC000329649151 1029584011 /nfs/dbraw/zinc/58/40/11/1029584011.db2.gz KDDOWTWJYPDSSI-AWEZNQCLSA-N 1 0 343.496 4.209 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000446859106 1029611390 /nfs/dbraw/zinc/61/13/90/1029611390.db2.gz YSWQSAIVDJJDMU-UHFFFAOYSA-N 1 0 333.435 4.097 20 30 EIEDRO N#CCSCCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000133751278 1029612399 /nfs/dbraw/zinc/61/23/99/1029612399.db2.gz TXUCSKVORNUXRW-QGZVFWFLSA-N 1 0 331.872 4.061 20 30 EIEDRO Cc1cc(N[C@H]2CCC[C@H](C#N)C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000193352384 1029613753 /nfs/dbraw/zinc/61/37/53/1029613753.db2.gz RBNJKHOABSNZKG-OALUTQOASA-N 1 0 340.515 4.020 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000525410894 1029623818 /nfs/dbraw/zinc/62/38/18/1029623818.db2.gz OUXQZBFDCYLRKV-LJQANCHMSA-N 1 0 336.435 4.091 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)c1cccc(C#N)c1 ZINC000639564232 1029632146 /nfs/dbraw/zinc/63/21/46/1029632146.db2.gz JZHLQGZHLUZISC-XPKDYRNWSA-N 1 0 338.373 4.147 20 30 EIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000329681217 1029635951 /nfs/dbraw/zinc/63/59/51/1029635951.db2.gz YEHAJTDTYQUHFK-JSGCOSHPSA-N 1 0 343.496 4.207 20 30 EIEDRO COc1ccc([C@@H]2CCCN2Cc2cccc(F)c2C#N)cc1OC ZINC000428461118 1029658729 /nfs/dbraw/zinc/65/87/29/1029658729.db2.gz HYFGLDRTUPMVSM-SFHVURJKSA-N 1 0 340.398 4.052 20 30 EIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCc1cccc(C#N)c1 ZINC000467455097 1029698444 /nfs/dbraw/zinc/69/84/44/1029698444.db2.gz RCKUEGUTVIFOCX-CQSZACIVSA-N 1 0 332.369 4.340 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2cc(C)nc3c(OC)cccc23)CC1 ZINC000301693300 1029790214 /nfs/dbraw/zinc/79/02/14/1029790214.db2.gz XPEGEGCQZJFXOY-UHFFFAOYSA-N 1 0 325.456 4.004 20 30 EIEDRO C=CC[NH+]1CCC(Nc2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000301776321 1029807825 /nfs/dbraw/zinc/80/78/25/1029807825.db2.gz GQYHCSSAMCLIGC-UHFFFAOYSA-N 1 0 335.373 4.316 20 30 EIEDRO CCOc1ccccc1OCC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000441226058 1029930418 /nfs/dbraw/zinc/93/04/18/1029930418.db2.gz FYDAJLUNKRSQOY-KRWDZBQOSA-N 1 0 338.451 4.419 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450848808 1030037234 /nfs/dbraw/zinc/03/72/34/1030037234.db2.gz VIAUYYSIZLBZEB-ZWKOTPCHSA-N 1 0 349.881 4.286 20 30 EIEDRO C[N@H+](CCc1ccc(C#N)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC001168125713 1030107731 /nfs/dbraw/zinc/10/77/31/1030107731.db2.gz LKDUYIQXLQSBBY-UHFFFAOYSA-N 1 0 334.341 4.131 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447521074 1030116656 /nfs/dbraw/zinc/11/66/56/1030116656.db2.gz VNGCIVCIUYJWEF-YADHBBJMSA-N 1 0 333.479 4.436 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000447544044 1030147913 /nfs/dbraw/zinc/14/79/13/1030147913.db2.gz SZMXZNMPWOEUMJ-PMACEKPBSA-N 1 0 325.431 4.041 20 30 EIEDRO CC[C@H]([NH2+]CCCc1cc(OC)ccc1OC)c1ccc(C#N)cc1 ZINC000447589763 1030191022 /nfs/dbraw/zinc/19/10/22/1030191022.db2.gz YWRQZMMXKJBFIG-FQEVSTJZSA-N 1 0 338.451 4.249 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000447575170 1030201641 /nfs/dbraw/zinc/20/16/41/1030201641.db2.gz QYZWJGARUNLXKA-UFYCRDLUSA-N 1 0 342.389 4.407 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000447575169 1030201758 /nfs/dbraw/zinc/20/17/58/1030201758.db2.gz QYZWJGARUNLXKA-SLFFLAALSA-N 1 0 342.389 4.407 20 30 EIEDRO CC[C@H](C)c1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000526135883 1030292369 /nfs/dbraw/zinc/29/23/69/1030292369.db2.gz OVJQSNGXYMFDTE-JXFKEZNVSA-N 1 0 341.499 4.049 20 30 EIEDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000447845692 1030357727 /nfs/dbraw/zinc/35/77/27/1030357727.db2.gz UDXGKXVMSDYEFQ-DYESRHJHSA-N 1 0 334.463 4.351 20 30 EIEDRO CC(C)(C)CC[C@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000475669566 1030368509 /nfs/dbraw/zinc/36/85/09/1030368509.db2.gz IASKZLUWXHQOKB-OBXNSHGQSA-N 1 0 328.500 4.167 20 30 EIEDRO C=CCC1(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CCCC1 ZINC000451297696 1030381518 /nfs/dbraw/zinc/38/15/18/1030381518.db2.gz HQYDTJCVPWNCGI-KRWDZBQOSA-N 1 0 328.456 4.147 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000451315937 1030392806 /nfs/dbraw/zinc/39/28/06/1030392806.db2.gz YVDMECUEAZLGLQ-MRXNPFEDSA-N 1 0 342.405 4.439 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccsc3)CC2)cc1 ZINC000188694271 1030417080 /nfs/dbraw/zinc/41/70/80/1030417080.db2.gz QMHQAOHNEYPBOF-HNNXBMFYSA-N 1 0 326.465 4.419 20 30 EIEDRO CCCN(Cc1ccc(C#N)o1)Cc1ccccc1Br ZINC000508645340 1030471753 /nfs/dbraw/zinc/47/17/53/1030471753.db2.gz MFLJZGVDMMUNEK-UHFFFAOYSA-N 1 0 333.229 4.326 20 30 EIEDRO N#CCC[C@H](C#N)CN1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000451526105 1030556768 /nfs/dbraw/zinc/55/67/68/1030556768.db2.gz HIOBIUJQSADYLS-MRXNPFEDSA-N 1 0 333.838 4.130 20 30 EIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCCC1(C#N)CCOCC1 ZINC000530616787 1030586788 /nfs/dbraw/zinc/58/67/88/1030586788.db2.gz VZBDHESBNPHGRS-QGZVFWFLSA-N 1 0 330.472 4.225 20 30 EIEDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190961043 1030591627 /nfs/dbraw/zinc/59/16/27/1030591627.db2.gz VDHRCZCWBKYVAQ-DYESRHJHSA-N 1 0 335.451 4.347 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451676457 1030641258 /nfs/dbraw/zinc/64/12/58/1030641258.db2.gz AKLXFUNNJQNDGC-YADHBBJMSA-N 1 0 346.474 4.210 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1 ZINC000451696641 1030650745 /nfs/dbraw/zinc/65/07/45/1030650745.db2.gz POTOGSAUDFDRQJ-BAGYTPMASA-N 1 0 346.474 4.208 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000127558780 1030721985 /nfs/dbraw/zinc/72/19/85/1030721985.db2.gz NJSCSOKQEACKGC-KBPBESRZSA-N 1 0 341.842 4.198 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000658058620 1030800958 /nfs/dbraw/zinc/80/09/58/1030800958.db2.gz CWBJGFNYQNIUDX-BBWFWOEESA-N 1 0 330.472 4.137 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2ccc(-c3ccncc3)cc2F)CC1 ZINC000122358276 1030808810 /nfs/dbraw/zinc/80/88/10/1030808810.db2.gz WMQFDRLIUCYPIY-UHFFFAOYSA-N 1 0 339.458 4.018 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452003787 1030818839 /nfs/dbraw/zinc/81/88/39/1030818839.db2.gz GNNRIYFCWREUJM-CABCVRRESA-N 1 0 345.512 4.140 20 30 EIEDRO N#Cc1ccc(CN(Cc2cnn(-c3ccc(F)cc3)c2)C2CC2)cc1 ZINC000349908016 1030850270 /nfs/dbraw/zinc/85/02/70/1030850270.db2.gz AYRVADRVOIWJNN-UHFFFAOYSA-N 1 0 346.409 4.048 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cc(Cl)ccc3F)CCOCC2)cc1 ZINC000527808165 1030854822 /nfs/dbraw/zinc/85/48/22/1030854822.db2.gz DXVAMSVLINJCHK-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Cl)s3)C2)c(F)c1 ZINC000237713268 1030855055 /nfs/dbraw/zinc/85/50/55/1030855055.db2.gz KKEKCIFNAHSRPP-ZDUSSCGKSA-N 1 0 349.862 4.171 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(Cl)c(F)c3)CCOCC2)cc1 ZINC000527808448 1030855002 /nfs/dbraw/zinc/85/50/02/1030855002.db2.gz AGFKRJJZXAPKCG-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccsc3Cl)CCOCC2)cc1 ZINC000527813060 1030856210 /nfs/dbraw/zinc/85/62/10/1030856210.db2.gz VNLGQRAUJYAXSP-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc(C4CC4)c3)CCOCC2)cc1 ZINC000527812389 1030856376 /nfs/dbraw/zinc/85/63/76/1030856376.db2.gz SNSCFUKVPYEUFZ-UHFFFAOYSA-N 1 0 332.447 4.231 20 30 EIEDRO C=CCCn1cc(C[NH2+][C@H](C)C(c2ccccc2)c2ccccc2)nn1 ZINC000653613259 1030883016 /nfs/dbraw/zinc/88/30/16/1030883016.db2.gz AFMFHXIYNPKKQG-GOSISDBHSA-N 1 0 346.478 4.164 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000103475236 1030899201 /nfs/dbraw/zinc/89/92/01/1030899201.db2.gz IFPAHFUZIKFBIT-UHFFFAOYSA-N 1 0 330.435 4.013 20 30 EIEDRO C=CC[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000116927741 1030960249 /nfs/dbraw/zinc/96/02/49/1030960249.db2.gz NDCBZCWYRLWLDT-KRWDZBQOSA-N 1 0 332.451 4.048 20 30 EIEDRO CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000310056441 1031003471 /nfs/dbraw/zinc/00/34/71/1031003471.db2.gz LIOKEVMYILERAD-JKSUJKDBSA-N 1 0 337.508 4.132 20 30 EIEDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000179395154 1031050734 /nfs/dbraw/zinc/05/07/34/1031050734.db2.gz WNEOBTKCTPEQDS-HTAPYJJXSA-N 1 0 333.479 4.450 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(CNc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000179435484 1031064771 /nfs/dbraw/zinc/06/47/71/1031064771.db2.gz SJSPUDWETWCXPI-SFHVURJKSA-N 1 0 349.478 4.228 20 30 EIEDRO CCC(C#N)(CC)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000528021210 1031065919 /nfs/dbraw/zinc/06/59/19/1031065919.db2.gz AZFJQIVFQHZPRV-MRXNPFEDSA-N 1 0 327.472 4.329 20 30 EIEDRO CC[N@H+](Cc1ccc(OCCOC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000179464317 1031080902 /nfs/dbraw/zinc/08/09/02/1031080902.db2.gz SHRCAAHVQQVSQB-QGZVFWFLSA-N 1 0 338.451 4.167 20 30 EIEDRO CC(C)(CNC(=[NH2+])Nc1ccccn1)c1ccc(Cl)c(Cl)c1 ZINC000170913572 1031084921 /nfs/dbraw/zinc/08/49/21/1031084921.db2.gz LQEWRIPKLYWNJW-UHFFFAOYSA-N 1 0 337.254 4.093 20 30 EIEDRO C[C@@]1(C#N)CCCN(CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000612167920 1031085550 /nfs/dbraw/zinc/08/55/50/1031085550.db2.gz YYPDSTNILYFCFT-INIZCTEOSA-N 1 0 326.362 4.100 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000104713683 1031111756 /nfs/dbraw/zinc/11/17/56/1031111756.db2.gz CTQXOHVVZRHYBZ-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@H](C)C1CCCCC1 ZINC000531368211 1031147666 /nfs/dbraw/zinc/14/76/66/1031147666.db2.gz IIDQGEQCVRCZHA-XHSDSOJGSA-N 1 0 327.472 4.080 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccsc1 ZINC000532508726 1031230639 /nfs/dbraw/zinc/23/06/39/1031230639.db2.gz CSINLJDGOFCPQL-CJNGLKHVSA-N 1 0 329.444 4.078 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1c(C)noc1C ZINC000356107675 1031274947 /nfs/dbraw/zinc/27/49/47/1031274947.db2.gz MQUXRYGGBHINLU-OAHLLOKOSA-N 1 0 337.345 4.423 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000179787252 1031290014 /nfs/dbraw/zinc/29/00/14/1031290014.db2.gz JAEPWVRMMHVNDE-INIZCTEOSA-N 1 0 336.410 4.406 20 30 EIEDRO Cc1cc(C)cc(C2=CC[N@H+](CCOc3cccc(C#N)c3)CC2)c1 ZINC001168222203 1031362954 /nfs/dbraw/zinc/36/29/54/1031362954.db2.gz FFAJBGNHBNNBCO-UHFFFAOYSA-N 1 0 332.447 4.343 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000449074221 1031429842 /nfs/dbraw/zinc/42/98/42/1031429842.db2.gz UEAIQRWRIOOQQD-UHFFFAOYSA-N 1 0 326.362 4.190 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000449077222 1031431363 /nfs/dbraw/zinc/43/13/63/1031431363.db2.gz YFXBOUVYOQNZRQ-FHTBDLFWSA-N 1 0 325.456 4.158 20 30 EIEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449083515 1031437365 /nfs/dbraw/zinc/43/73/65/1031437365.db2.gz BXUPMNHSGGQAHK-XRTORIHISA-N 1 0 327.472 4.233 20 30 EIEDRO CC[N@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)c1ccc(F)cc1 ZINC000610132772 1031440148 /nfs/dbraw/zinc/44/01/48/1031440148.db2.gz CTUBOCMZSQCFIQ-HNNXBMFYSA-N 1 0 342.414 4.168 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000548923322 1031441857 /nfs/dbraw/zinc/44/18/57/1031441857.db2.gz ARIMIZJRALOOCE-INIZCTEOSA-N 1 0 349.453 4.285 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccc(F)c(F)c1F ZINC000612419729 1031500062 /nfs/dbraw/zinc/50/00/62/1031500062.db2.gz JKTZQRRLYWZZSZ-QGZVFWFLSA-N 1 0 330.353 4.185 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000472429484 1031506844 /nfs/dbraw/zinc/50/68/44/1031506844.db2.gz HGCQWTONPSEZON-IBGZPJMESA-N 1 0 335.451 4.286 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000449234185 1031564418 /nfs/dbraw/zinc/56/44/18/1031564418.db2.gz PDXYKXVZKGVICO-CRAIPNDOSA-N 1 0 342.462 4.124 20 30 EIEDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449249688 1031564441 /nfs/dbraw/zinc/56/44/41/1031564441.db2.gz MQGMTNXPYGHYSF-NYLDSWQDSA-N 1 0 327.516 4.205 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000449234188 1031564627 /nfs/dbraw/zinc/56/46/27/1031564627.db2.gz PDXYKXVZKGVICO-YJBOKZPZSA-N 1 0 342.462 4.124 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CCOC2)cc1F ZINC000365256369 1031575224 /nfs/dbraw/zinc/57/52/24/1031575224.db2.gz NCMNGZHPQJMTBS-QFBILLFUSA-N 1 0 344.817 4.218 20 30 EIEDRO CN(Cc1ccc(C#N)c(F)c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000365272192 1031582271 /nfs/dbraw/zinc/58/22/71/1031582271.db2.gz IFAHNBKNDDJPBX-NRFANRHFSA-N 1 0 331.394 4.314 20 30 EIEDRO Cc1cc(-c2noc([C@H](C)[NH2+]C3CCC(C)(C#N)CC3)n2)ccc1F ZINC000449279764 1031593440 /nfs/dbraw/zinc/59/34/40/1031593440.db2.gz SRVIBVIRYFPHOO-XIWWETDGSA-N 1 0 342.418 4.307 20 30 EIEDRO Cn1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000179905842 1031595874 /nfs/dbraw/zinc/59/58/74/1031595874.db2.gz LVIWXBLRRJLPDG-OAQYLSRUSA-N 1 0 342.446 4.078 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449305352 1031610912 /nfs/dbraw/zinc/61/09/12/1031610912.db2.gz SDFIDRYRKAUNFY-UHFFFAOYSA-N 1 0 329.444 4.369 20 30 EIEDRO CC(C)OC(=O)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449332262 1031629738 /nfs/dbraw/zinc/62/97/38/1031629738.db2.gz QLEONEZYLFSAMZ-QPIRBTGLSA-N 1 0 328.456 4.131 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449318561 1031631926 /nfs/dbraw/zinc/63/19/26/1031631926.db2.gz HCUFSQVJVGBBSD-VPRPLRRXSA-N 1 0 326.484 4.400 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449318563 1031632837 /nfs/dbraw/zinc/63/28/37/1031632837.db2.gz HCUFSQVJVGBBSD-YWAISFQCSA-N 1 0 326.484 4.400 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000449368396 1031664038 /nfs/dbraw/zinc/66/40/38/1031664038.db2.gz IEPCQSYNOUCICD-UHFFFAOYSA-N 1 0 332.325 4.236 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1F ZINC000449372681 1031667657 /nfs/dbraw/zinc/66/76/57/1031667657.db2.gz KPYVDQKPLJPUEC-MRXNPFEDSA-N 1 0 337.442 4.325 20 30 EIEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cn2)CC1)CC1CCCCC1 ZINC000612580126 1031677876 /nfs/dbraw/zinc/67/78/76/1031677876.db2.gz RYWFXXNKXSDABG-KRWDZBQOSA-N 1 0 340.515 4.118 20 30 EIEDRO CO[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)Cc1ccccc1 ZINC000449390864 1031697521 /nfs/dbraw/zinc/69/75/21/1031697521.db2.gz CGVWWIFOEWTZDE-KOENEWCDSA-N 1 0 348.490 4.238 20 30 EIEDRO C=CCc1cc(C[NH2+]C2CCC(CSC)CC2)cc(OC)c1O ZINC000449421859 1031735041 /nfs/dbraw/zinc/73/50/41/1031735041.db2.gz JMTBAZOPYNVGOH-UHFFFAOYSA-N 1 0 335.513 4.141 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)cc(OC)c1O ZINC000449456178 1031752872 /nfs/dbraw/zinc/75/28/72/1031752872.db2.gz CHPNDTXHIUBQCA-DOMZBBRYSA-N 1 0 343.389 4.292 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1Cl ZINC000449468053 1031763654 /nfs/dbraw/zinc/76/36/54/1031763654.db2.gz KFNHYPXNVVHKSY-NXHRZFHOSA-N 1 0 335.875 4.030 20 30 EIEDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000449498632 1031808369 /nfs/dbraw/zinc/80/83/69/1031808369.db2.gz SEWVUBGOVHUKFW-WMLDXEAASA-N 1 0 340.389 4.118 20 30 EIEDRO CC(C)[C@@H]1C[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC000449500994 1031810467 /nfs/dbraw/zinc/81/04/67/1031810467.db2.gz VPMHGFRKMIOHOG-DWOCFRCJSA-N 1 0 340.511 4.431 20 30 EIEDRO COCC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000449554270 1031840548 /nfs/dbraw/zinc/84/05/48/1031840548.db2.gz NYMZCQZYIKODFB-MRXNPFEDSA-N 1 0 338.329 4.037 20 30 EIEDRO C=CCC1([NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CCCCC1 ZINC000449577065 1031857442 /nfs/dbraw/zinc/85/74/42/1031857442.db2.gz VOQYUOKQEWNGOO-INIZCTEOSA-N 1 0 335.513 4.062 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000453340760 1031866551 /nfs/dbraw/zinc/86/65/51/1031866551.db2.gz CJUGLBNFLKILFZ-XYPHTWIQSA-N 1 0 328.481 4.036 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@H]2CCCO2)c2ccc(F)cc2)cc1F ZINC000453359574 1031889184 /nfs/dbraw/zinc/88/91/84/1031889184.db2.gz ALZHAANGEMKLBY-UYAOXDASSA-N 1 0 342.389 4.236 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000453418433 1031951661 /nfs/dbraw/zinc/95/16/61/1031951661.db2.gz JIJBXZYZBZSIQX-SRCQZFHVSA-N 1 0 330.428 4.330 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000449731581 1031957724 /nfs/dbraw/zinc/95/77/24/1031957724.db2.gz JHRNQBTVDQRSLL-IBGZPJMESA-N 1 0 330.497 4.088 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000449731582 1031958478 /nfs/dbraw/zinc/95/84/78/1031958478.db2.gz JHRNQBTVDQRSLL-LJQANCHMSA-N 1 0 330.497 4.088 20 30 EIEDRO C=CCC1(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CCCC1 ZINC000449744008 1031975511 /nfs/dbraw/zinc/97/55/11/1031975511.db2.gz CXSCRKBUWAZIJG-UHFFFAOYSA-N 1 0 340.511 4.212 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(Br)cc2)C2CC2)cc1 ZINC000026331495 1032011703 /nfs/dbraw/zinc/01/17/03/1032011703.db2.gz NOCQRZYPPZWNDS-UHFFFAOYSA-N 1 0 341.252 4.485 20 30 EIEDRO C=CCC1(C(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)CCCC1 ZINC000449836446 1032043126 /nfs/dbraw/zinc/04/31/26/1032043126.db2.gz UTFDCXQYZQEQFF-UHFFFAOYSA-N 1 0 328.500 4.233 20 30 EIEDRO N#Cc1cccc(C[NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)c1 ZINC000512568547 1033387074 /nfs/dbraw/zinc/38/70/74/1033387074.db2.gz IBXJMWHMGRKWOI-HXUWFJFHSA-N 1 0 340.854 4.469 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000429845256 1033396356 /nfs/dbraw/zinc/39/63/56/1033396356.db2.gz MTXYZLCAEUCHKC-KRWDZBQOSA-N 1 0 328.500 4.280 20 30 EIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C12CCC2 ZINC000614174556 1033569474 /nfs/dbraw/zinc/56/94/74/1033569474.db2.gz ZLUSCTALUIVBQG-OALUTQOASA-N 1 0 326.484 4.267 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000614177461 1033588244 /nfs/dbraw/zinc/58/82/44/1033588244.db2.gz NULXRZFJEIWDDR-UHFFFAOYSA-N 1 0 326.484 4.126 20 30 EIEDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176380 1033598826 /nfs/dbraw/zinc/59/88/26/1033598826.db2.gz YQPLWLMGALFWGW-KRWDZBQOSA-N 1 0 342.483 4.043 20 30 EIEDRO Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000512655388 1033628969 /nfs/dbraw/zinc/62/89/69/1033628969.db2.gz UCNNKXMRMUTSGP-INIZCTEOSA-N 1 0 348.425 4.351 20 30 EIEDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)Nc1ccccc1 ZINC000512655283 1033631195 /nfs/dbraw/zinc/63/11/95/1033631195.db2.gz SSOMUWQJYUYFHR-QRWLVFNGSA-N 1 0 325.431 4.485 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1F ZINC000512659567 1033646147 /nfs/dbraw/zinc/64/61/47/1033646147.db2.gz IBEMYSWQLATBPH-NSHDSACASA-N 1 0 338.304 4.447 20 30 EIEDRO Cc1ccc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c(C)c1 ZINC000433014646 1033657503 /nfs/dbraw/zinc/65/75/03/1033657503.db2.gz GFFJZJJHXRLRPM-HXUWFJFHSA-N 1 0 335.451 4.267 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1F ZINC000512666293 1033657637 /nfs/dbraw/zinc/65/76/37/1033657637.db2.gz JSGRGQYUCICRMK-JEYLPNPQSA-N 1 0 346.446 4.248 20 30 EIEDRO COC(=O)c1ccc(C[NH2+][C@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000433018262 1033664434 /nfs/dbraw/zinc/66/44/34/1033664434.db2.gz DBUIYBYFLLMMAD-LJQANCHMSA-N 1 0 340.398 4.137 20 30 EIEDRO COc1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)ccc1[N+](=O)[O-] ZINC000433018330 1033665094 /nfs/dbraw/zinc/66/50/94/1033665094.db2.gz GRDRNLJZMXQZFH-QGZVFWFLSA-N 1 0 339.395 4.128 20 30 EIEDRO CC[NH+](CC)[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512669125 1033670351 /nfs/dbraw/zinc/67/03/51/1033670351.db2.gz YQELZHMIYIXYLJ-KKSFZXQISA-N 1 0 339.458 4.431 20 30 EIEDRO N#CCCC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000433019958 1033670848 /nfs/dbraw/zinc/67/08/48/1033670848.db2.gz LTQDQJCLPKZSIU-LJQANCHMSA-N 1 0 325.456 4.112 20 30 EIEDRO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433013933 1033675383 /nfs/dbraw/zinc/67/53/83/1033675383.db2.gz QCWIXZALIIIILB-LJQANCHMSA-N 1 0 335.451 4.267 20 30 EIEDRO Cn1c(C[NH2+][C@H](CCCC#N)c2ccccc2)nnc1-c1ccccc1 ZINC000433021805 1033677881 /nfs/dbraw/zinc/67/78/81/1033677881.db2.gz YSVLEJBQRZXAQS-LJQANCHMSA-N 1 0 345.450 4.007 20 30 EIEDRO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433023287 1033681224 /nfs/dbraw/zinc/68/12/24/1033681224.db2.gz OMLLHCSLZZEXHZ-NQIIRXRSSA-N 1 0 349.478 4.231 20 30 EIEDRO N#CCCC[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccccc1 ZINC000433023069 1033681242 /nfs/dbraw/zinc/68/12/42/1033681242.db2.gz ZEZCKSQDRZBVDU-NRFANRHFSA-N 1 0 333.435 4.352 20 30 EIEDRO N#CCCC[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000433024710 1033684977 /nfs/dbraw/zinc/68/49/77/1033684977.db2.gz DUXWHZFLCCBMFY-IBGZPJMESA-N 1 0 339.414 4.179 20 30 EIEDRO COc1cc(CCC2CC[NH+]([C@H](C)CCC#N)CC2)cc(OC)c1 ZINC000411143832 1033690686 /nfs/dbraw/zinc/69/06/86/1033690686.db2.gz NQXZWOYCCWRORV-MRXNPFEDSA-N 1 0 330.472 4.041 20 30 EIEDRO CCN(C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000433028646 1033695910 /nfs/dbraw/zinc/69/59/10/1033695910.db2.gz CPLKEVRNRVSXQS-HXUWFJFHSA-N 1 0 341.499 4.192 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000433038114 1033704797 /nfs/dbraw/zinc/70/47/97/1033704797.db2.gz ICBCMGFBIUXRCW-NRFANRHFSA-N 1 0 332.447 4.105 20 30 EIEDRO N#CCCC[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000433041125 1033714063 /nfs/dbraw/zinc/71/40/63/1033714063.db2.gz SWWYVSSSFOXOHS-OAQYLSRUSA-N 1 0 347.462 4.139 20 30 EIEDRO N#Cc1cscc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000433086492 1033819823 /nfs/dbraw/zinc/81/98/23/1033819823.db2.gz ZKDDFONPRBWHJA-UHFFFAOYSA-N 1 0 339.464 4.248 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614236020 1033871816 /nfs/dbraw/zinc/87/18/16/1033871816.db2.gz WKOMKQBFUTXQNU-IEBWSBKVSA-N 1 0 344.462 4.381 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)Oc1ccccc1C ZINC000236990262 1033893192 /nfs/dbraw/zinc/89/31/92/1033893192.db2.gz DUQGLXLDLMWQBF-MJGOQNOKSA-N 1 0 338.451 4.233 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Oc1cccc(C)c1 ZINC000236990035 1033894256 /nfs/dbraw/zinc/89/42/56/1033894256.db2.gz KFJHLRVXBGTMRB-HKUYNNGSSA-N 1 0 338.451 4.233 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](CCCc3ccccc3)CC2)c(F)c1 ZINC000512801774 1033971474 /nfs/dbraw/zinc/97/14/74/1033971474.db2.gz OFSRZQQGDSWLIU-UHFFFAOYSA-N 1 0 338.426 4.173 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](CC)Cc2ccccc2)cc(OC)c1O ZINC000500902908 1034012863 /nfs/dbraw/zinc/01/28/63/1034012863.db2.gz XMYUTIKQKNUBSO-LJQANCHMSA-N 1 0 325.452 4.240 20 30 EIEDRO Cc1ccc(C2(C[NH2+]Cc3cnc4ccc(C#N)cn34)CCC2)cc1C ZINC000433208288 1034058517 /nfs/dbraw/zinc/05/85/17/1034058517.db2.gz MXBGDUVWBJMTAJ-UHFFFAOYSA-N 1 0 344.462 4.034 20 30 EIEDRO CC(C)Oc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000512847434 1034069212 /nfs/dbraw/zinc/06/92/12/1034069212.db2.gz WKQHZGMPLLVRRW-UHFFFAOYSA-N 1 0 340.492 4.368 20 30 EIEDRO CSc1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000067251350 1034529757 /nfs/dbraw/zinc/52/97/57/1034529757.db2.gz AJZUOTUOUVTCRS-UHFFFAOYSA-N 1 0 325.481 4.048 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Br)cc1F ZINC000513089691 1034533502 /nfs/dbraw/zinc/53/35/02/1034533502.db2.gz PDMMFMCUIOQSLC-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO Cc1cc(C#N)ccc1CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000614397429 1034538138 /nfs/dbraw/zinc/53/81/38/1034538138.db2.gz UDLSZRJJWFWHRL-LJQANCHMSA-N 1 0 326.827 4.094 20 30 EIEDRO N#CC1(CC[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CCCCC1 ZINC000584337465 1034540290 /nfs/dbraw/zinc/54/02/90/1034540290.db2.gz OMWSBTVERQKHLS-MRXNPFEDSA-N 1 0 340.389 4.193 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc2ccccc21 ZINC000120622563 1034663943 /nfs/dbraw/zinc/66/39/43/1034663943.db2.gz KTEORPSVISIWOK-AWEZNQCLSA-N 1 0 349.459 4.452 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)ccc1OCCC(C)C ZINC000549925315 1034674779 /nfs/dbraw/zinc/67/47/79/1034674779.db2.gz POAFYTKSCMLKQZ-LZLYRXPVSA-N 1 0 330.472 4.463 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCOc2c(C)cccc2C)cc1OC ZINC000513587983 1035045438 /nfs/dbraw/zinc/04/54/38/1035045438.db2.gz FIWFLUIDQUUUBU-UHFFFAOYSA-N 1 0 341.451 4.045 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000280340889 1035242814 /nfs/dbraw/zinc/24/28/14/1035242814.db2.gz RYGZNEXKPACAOT-UHFFFAOYSA-N 1 0 328.378 4.090 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000280536045 1035290026 /nfs/dbraw/zinc/29/00/26/1035290026.db2.gz AKHLWLPAOZBIGJ-OZVIIMIRSA-N 1 0 329.362 4.059 20 30 EIEDRO Cc1cc(Br)cc2c1C[N@H+](CC(C)(C)CCC#N)CC2 ZINC000501107112 1035378208 /nfs/dbraw/zinc/37/82/08/1035378208.db2.gz PAZWAFRBFBWHQD-UHFFFAOYSA-N 1 0 335.289 4.446 20 30 EIEDRO N#CCC1(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000430036402 1035401293 /nfs/dbraw/zinc/40/12/93/1035401293.db2.gz PHFRDXSCMJDVTG-UHFFFAOYSA-N 1 0 342.446 4.323 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+]C2CCC2)cc1OCC ZINC000501345723 1035427696 /nfs/dbraw/zinc/42/76/96/1035427696.db2.gz BBZAYKXRLHICTM-UHFFFAOYSA-N 1 0 340.261 4.055 20 30 EIEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513718141 1035482276 /nfs/dbraw/zinc/48/22/76/1035482276.db2.gz VOAWCQKBQBTKCV-AOMKIAJQSA-N 1 0 331.463 4.050 20 30 EIEDRO C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(C#N)s1 ZINC000183301401 1035486510 /nfs/dbraw/zinc/48/65/10/1035486510.db2.gz NXDPJUXMWXLDBB-LBPRGKRZSA-N 1 0 341.411 4.307 20 30 EIEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490547991 1035505528 /nfs/dbraw/zinc/50/55/28/1035505528.db2.gz ROSFWTHYXMYLCL-IBGZPJMESA-N 1 0 336.483 4.359 20 30 EIEDRO N#Cc1ccc(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)o1 ZINC000594988697 1035518191 /nfs/dbraw/zinc/51/81/91/1035518191.db2.gz RLLAEEIUCJSMFX-UHFFFAOYSA-N 1 0 328.256 4.294 20 30 EIEDRO N#Cc1ccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000595056242 1035534396 /nfs/dbraw/zinc/53/43/96/1035534396.db2.gz SHKACHFJRYQCRO-UHFFFAOYSA-N 1 0 329.447 4.095 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595057871 1035536911 /nfs/dbraw/zinc/53/69/11/1035536911.db2.gz YECBJHHRSQVNEY-QGZVFWFLSA-N 1 0 349.478 4.231 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccnc1N1CCCC1 ZINC000595064751 1035544677 /nfs/dbraw/zinc/54/46/77/1035544677.db2.gz FQWPVNSNSBQCMG-NRFANRHFSA-N 1 0 346.478 4.111 20 30 EIEDRO C[C@H](COc1c(F)cccc1F)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000595071865 1035554648 /nfs/dbraw/zinc/55/46/48/1035554648.db2.gz CDPBYQVABTWFFN-VXGBXAGGSA-N 1 0 334.341 4.094 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000595073586 1035555777 /nfs/dbraw/zinc/55/57/77/1035555777.db2.gz NWIJTHKJQRRPSM-BDJLRTHQSA-N 1 0 344.352 4.238 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cncc(Br)c1 ZINC000595025725 1035556585 /nfs/dbraw/zinc/55/65/85/1035556585.db2.gz LYKBCBOVXGDTAI-NWDGAFQWSA-N 1 0 330.229 4.128 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccnc2ccccc12 ZINC000595075050 1035592155 /nfs/dbraw/zinc/59/21/55/1035592155.db2.gz VKBFSCOTJLMCJK-JOCHJYFZSA-N 1 0 327.431 4.316 20 30 EIEDRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000595090569 1035592521 /nfs/dbraw/zinc/59/25/21/1035592521.db2.gz IDWQQHHRLMVLEG-INIZCTEOSA-N 1 0 342.487 4.341 20 30 EIEDRO COc1ccc(C[C@@H](C)[NH2+]CC2(C#N)CCCCC2)c(C)c1OC ZINC000595092180 1035597669 /nfs/dbraw/zinc/59/76/69/1035597669.db2.gz YLNYMSJODHNISI-OAHLLOKOSA-N 1 0 330.472 4.007 20 30 EIEDRO CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000595096898 1035602535 /nfs/dbraw/zinc/60/25/35/1035602535.db2.gz NWMMUTOBENPJNK-GKCIPKSASA-N 1 0 326.415 4.106 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccc(F)cc1Br ZINC000485029295 1035634347 /nfs/dbraw/zinc/63/43/47/1035634347.db2.gz WLFPILKSWTYQIZ-UHFFFAOYSA-N 1 0 327.241 4.350 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH+](CC(C)C)CC(C)C)c1C ZINC000501847571 1035673218 /nfs/dbraw/zinc/67/32/18/1035673218.db2.gz FBDJRQICBCFOFO-UHFFFAOYSA-N 1 0 343.515 4.164 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCc4ccc(C#N)cc4)C3)nc2c1 ZINC000595403685 1035678472 /nfs/dbraw/zinc/67/84/72/1035678472.db2.gz IBJJRHJLAATHRA-IBGZPJMESA-N 1 0 344.462 4.165 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cc1C#N)c1ccsc1 ZINC000029620811 1035685438 /nfs/dbraw/zinc/68/54/38/1035685438.db2.gz FBWGNJALDHZMCU-QGZVFWFLSA-N 1 0 344.440 4.023 20 30 EIEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C#N)c3ccccc3)C2)s1 ZINC000595477700 1035686892 /nfs/dbraw/zinc/68/68/92/1035686892.db2.gz SWKZSTLBJUWHFH-FXAWDEMLSA-N 1 0 339.508 4.075 20 30 EIEDRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)c1 ZINC000595518539 1035691546 /nfs/dbraw/zinc/69/15/46/1035691546.db2.gz BHDNVBOJUIQXHJ-MRXNPFEDSA-N 1 0 345.368 4.270 20 30 EIEDRO N#CC1(CCN2CCC([NH2+]Cc3ccccc3)CC2)CCCCC1 ZINC000595509753 1035692971 /nfs/dbraw/zinc/69/29/71/1035692971.db2.gz UVQRAAUJAWBOFZ-UHFFFAOYSA-N 1 0 325.500 4.105 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc(C3(C#N)CC3)cc2)c1 ZINC000905078199 1035721074 /nfs/dbraw/zinc/72/10/74/1035721074.db2.gz NONSCKRUMZLYFR-DHZHZOJOSA-N 1 0 330.431 4.199 20 30 EIEDRO Cn1cc(/C=C\C(=O)c2cccc(C[NH+](C)C)c2)c(C2CCCC2)n1 ZINC000905078126 1035721455 /nfs/dbraw/zinc/72/14/55/1035721455.db2.gz LLFYNBNDTYLIFT-QXMHVHEDSA-N 1 0 337.467 4.035 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)C1 ZINC000046934538 1035728247 /nfs/dbraw/zinc/72/82/47/1035728247.db2.gz DZBYWFBMXYLBIS-MRXNPFEDSA-N 1 0 333.435 4.042 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000595621562 1035736591 /nfs/dbraw/zinc/73/65/91/1035736591.db2.gz WGQKXZLWYOZZPW-QGZVFWFLSA-N 1 0 333.435 4.065 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCCC(C)(C)C#N)Cc2ccccc21 ZINC000595614297 1035749003 /nfs/dbraw/zinc/74/90/03/1035749003.db2.gz KIGPQOLIQCHTMR-GOSISDBHSA-N 1 0 342.483 4.257 20 30 EIEDRO Cc1nc(C(F)(F)F)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)s1 ZINC000595641048 1035754035 /nfs/dbraw/zinc/75/40/35/1035754035.db2.gz XWFXSDCDEIMXFV-UHFFFAOYSA-N 1 0 339.386 4.367 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CC[C@@H]3CCc4ccccc43)CCOCC2)c1 ZINC000595768932 1035778867 /nfs/dbraw/zinc/77/88/67/1035778867.db2.gz MRTXKHNGKJPYKL-FQEVSTJZSA-N 1 0 346.474 4.274 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595789230 1035793334 /nfs/dbraw/zinc/79/33/34/1035793334.db2.gz PTZBIDATKCLALP-HXUWFJFHSA-N 1 0 326.484 4.269 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)ccn1 ZINC000586774192 1035833923 /nfs/dbraw/zinc/83/39/23/1035833923.db2.gz FPNAUULTKKXGKM-INIZCTEOSA-N 1 0 345.368 4.352 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000586790606 1035848333 /nfs/dbraw/zinc/84/83/33/1035848333.db2.gz MKVPBPJPJBVLOQ-QZTJIDSGSA-N 1 0 333.479 4.309 20 30 EIEDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000586790335 1035848409 /nfs/dbraw/zinc/84/84/09/1035848409.db2.gz UEOQKPGIRNOJDA-HOCLYGCPSA-N 1 0 338.451 4.166 20 30 EIEDRO N#CCC1(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000430045173 1035849394 /nfs/dbraw/zinc/84/93/94/1035849394.db2.gz XRNRWXDNIZIDKU-UHFFFAOYSA-N 1 0 347.178 4.251 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(C)c1OC ZINC000586793886 1035850128 /nfs/dbraw/zinc/85/01/28/1035850128.db2.gz NOCHEKHLTLWVGJ-IFXJQAMLSA-N 1 0 336.435 4.222 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000559260319 1035852291 /nfs/dbraw/zinc/85/22/91/1035852291.db2.gz FDDDZTVQZZNSOP-CQSZACIVSA-N 1 0 340.920 4.181 20 30 EIEDRO COc1ccccc1/C=C/C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000513732070 1035875812 /nfs/dbraw/zinc/87/58/12/1035875812.db2.gz ARTVDQZQEHCNBU-GQCTYLIASA-N 1 0 348.446 4.123 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccc(F)cc1 ZINC000593183639 1035891253 /nfs/dbraw/zinc/89/12/53/1035891253.db2.gz FEBNXUNKOSMVTN-MRXNPFEDSA-N 1 0 337.442 4.013 20 30 EIEDRO CCOc1cc2c(cc1C[NH2+][C@H]1CCc3ccc(C#N)cc31)O[C@H](C)C2 ZINC000571091933 1035942468 /nfs/dbraw/zinc/94/24/68/1035942468.db2.gz IHOUPQJVPBNLLK-VLIAUNLRSA-N 1 0 348.446 4.057 20 30 EIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)CC2(C#N)CCCCC2)cc1 ZINC000596672523 1035946551 /nfs/dbraw/zinc/94/65/51/1035946551.db2.gz BTXIQPQSKRJLDI-UHFFFAOYSA-N 1 0 341.499 4.009 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)c1ccsc1 ZINC000421018281 1035978780 /nfs/dbraw/zinc/97/87/80/1035978780.db2.gz WPUQTCCTIFPCAQ-HNNXBMFYSA-N 1 0 341.480 4.420 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCSc2ccccc2)c(C(F)(F)F)c1 ZINC000571248250 1036012140 /nfs/dbraw/zinc/01/21/40/1036012140.db2.gz HIOKYYNSRYNHQK-UHFFFAOYSA-N 1 0 336.382 4.459 20 30 EIEDRO N#CC1(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCCCC1 ZINC000596787656 1036020799 /nfs/dbraw/zinc/02/07/99/1036020799.db2.gz GMBWSERDINQZBJ-UHFFFAOYSA-N 1 0 339.483 4.475 20 30 EIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC1(C#N)CCCCC1 ZINC000596818847 1036029218 /nfs/dbraw/zinc/02/92/18/1036029218.db2.gz MTHLMLXGNKNIJI-UHFFFAOYSA-N 1 0 341.499 4.007 20 30 EIEDRO CC(C)C[N@H+](Cc1c(C2CCC2)cnn1C)Cc1ccc(C#N)cc1 ZINC000596984026 1036066138 /nfs/dbraw/zinc/06/61/38/1036066138.db2.gz NODHDSZCMLMWIT-UHFFFAOYSA-N 1 0 336.483 4.217 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)cc2)CC1 ZINC000597013668 1036068844 /nfs/dbraw/zinc/06/88/44/1036068844.db2.gz LGTSZNAEQMKPTA-OAQYLSRUSA-N 1 0 331.463 4.318 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+](CCCO)[C@H]3CCc4ccccc43)cc2)CC1 ZINC000597010224 1036070144 /nfs/dbraw/zinc/07/01/44/1036070144.db2.gz MJOICXFKASUHAY-QFIPXVFZSA-N 1 0 346.474 4.114 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3cc4ccncc4s3)CC2)cc1 ZINC000596997148 1036072351 /nfs/dbraw/zinc/07/23/51/1036072351.db2.gz ZLDMDBAPEGWOQA-UHFFFAOYSA-N 1 0 349.459 4.211 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000183532159 1036124019 /nfs/dbraw/zinc/12/40/19/1036124019.db2.gz WGOWBYRIOAFCBX-CABCVRRESA-N 1 0 347.418 4.291 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000502355962 1036125194 /nfs/dbraw/zinc/12/51/94/1036125194.db2.gz SLFOYJVSDLMJLK-FUHYEJFZSA-N 1 0 338.495 4.329 20 30 EIEDRO Cc1c(Br)cncc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000597161836 1036135590 /nfs/dbraw/zinc/13/55/90/1036135590.db2.gz RITAWVGTVZESPF-ZDUSSCGKSA-N 1 0 344.256 4.217 20 30 EIEDRO CCOc1ccc(OCC[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000060477412 1036138344 /nfs/dbraw/zinc/13/83/44/1036138344.db2.gz LJSBQQXFVQOMFL-QGZVFWFLSA-N 1 0 338.451 4.419 20 30 EIEDRO N#CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000597174332 1036143391 /nfs/dbraw/zinc/14/33/91/1036143391.db2.gz OWWWBWWSQYDMMJ-SFHVURJKSA-N 1 0 348.494 4.351 20 30 EIEDRO N#CCC1C[NH+](Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000597204546 1036162422 /nfs/dbraw/zinc/16/24/22/1036162422.db2.gz ZZONBZQRDDHRPS-UHFFFAOYSA-N 1 0 341.252 4.462 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)CC1 ZINC000597236365 1036165890 /nfs/dbraw/zinc/16/58/90/1036165890.db2.gz QFXQDWFEEYSJTL-SMRZPBGOSA-N 1 0 346.449 4.458 20 30 EIEDRO C=CCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000502470855 1036230136 /nfs/dbraw/zinc/23/01/36/1036230136.db2.gz XUBXOOLQVAGZSM-AWEZNQCLSA-N 1 0 346.833 4.494 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCCCCC#N)cc2)C1 ZINC000588150367 1036247728 /nfs/dbraw/zinc/24/77/28/1036247728.db2.gz KTIPHYGGBVJTMC-SFHVURJKSA-N 1 0 341.499 4.009 20 30 EIEDRO N#CC1(CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)CCCCC1 ZINC000597591006 1036283420 /nfs/dbraw/zinc/28/34/20/1036283420.db2.gz UAQFOQRLNXPKRI-UHFFFAOYSA-N 1 0 334.423 4.050 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(C(F)F)cc1)C(C)C ZINC000588231082 1036305702 /nfs/dbraw/zinc/30/57/02/1036305702.db2.gz BMSRNDVCIJHVIL-KRWDZBQOSA-N 1 0 336.426 4.053 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000502536708 1036306572 /nfs/dbraw/zinc/30/65/72/1036306572.db2.gz YQQNJLMHLAJNMD-HXUWFJFHSA-N 1 0 342.414 4.072 20 30 EIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)C1CC(OC(C)(C)C)C1 ZINC000421365817 1036311502 /nfs/dbraw/zinc/31/15/02/1036311502.db2.gz BHXIOKXHAPFJKD-UHFFFAOYSA-N 1 0 330.472 4.147 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccc(C#N)c(F)c2)CC1 ZINC000421364660 1036311860 /nfs/dbraw/zinc/31/18/60/1036311860.db2.gz OZPJCDKZDIHWEV-MRXNPFEDSA-N 1 0 337.442 4.013 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)c(C(F)(F)F)c1 ZINC000421372958 1036323425 /nfs/dbraw/zinc/32/34/25/1036323425.db2.gz GHUTVTGASCUFCO-AWEZNQCLSA-N 1 0 340.414 4.200 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502533426 1036333311 /nfs/dbraw/zinc/33/33/11/1036333311.db2.gz YTNHXAKIIYHNHJ-IBGZPJMESA-N 1 0 334.891 4.351 20 30 EIEDRO N#CCCCCCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000588316074 1036348068 /nfs/dbraw/zinc/34/80/68/1036348068.db2.gz JFYGCAXOQJQDQT-UHFFFAOYSA-N 1 0 327.472 4.475 20 30 EIEDRO C[C@H](CCC#N)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000602450617 1036448130 /nfs/dbraw/zinc/44/81/30/1036448130.db2.gz CJRVVXRRXUXBAO-OAHLLOKOSA-N 1 0 328.435 4.020 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000602483249 1036462693 /nfs/dbraw/zinc/46/26/93/1036462693.db2.gz ICOKQBDCPLLWRV-SFHVURJKSA-N 1 0 341.499 4.183 20 30 EIEDRO N#CC1CCC([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000602524067 1036479919 /nfs/dbraw/zinc/47/99/19/1036479919.db2.gz AESFVDFCRRTJDJ-UHFFFAOYSA-N 1 0 332.875 4.060 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000602512129 1036487504 /nfs/dbraw/zinc/48/75/04/1036487504.db2.gz QDCRGORMAGNNJD-CJNGLKHVSA-N 1 0 334.460 4.051 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000602531365 1036493443 /nfs/dbraw/zinc/49/34/43/1036493443.db2.gz HNNSNWBXDZNDKP-ZDUSSCGKSA-N 1 0 341.282 4.224 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000602529723 1036493467 /nfs/dbraw/zinc/49/34/67/1036493467.db2.gz XRWJRDLFTNNEGE-INIZCTEOSA-N 1 0 346.902 4.450 20 30 EIEDRO C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]C1CCC(C#N)CC1 ZINC000602526732 1036494130 /nfs/dbraw/zinc/49/41/30/1036494130.db2.gz POHIGKPVGXEACA-HSBZDZAISA-N 1 0 326.362 4.145 20 30 EIEDRO N#CC1CCC([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000602534440 1036497630 /nfs/dbraw/zinc/49/76/30/1036497630.db2.gz UKFNLJNYODLFJK-UHFFFAOYSA-N 1 0 330.435 4.197 20 30 EIEDRO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602565898 1036498658 /nfs/dbraw/zinc/49/86/58/1036498658.db2.gz BDRRPXWWJGDKKD-ZWKOTPCHSA-N 1 0 344.499 4.361 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000602600575 1036507397 /nfs/dbraw/zinc/50/73/97/1036507397.db2.gz OSSBYZZSRRGUNC-CJNGLKHVSA-N 1 0 326.362 4.019 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000602601364 1036515397 /nfs/dbraw/zinc/51/53/97/1036515397.db2.gz KUAYPRBRTPBIGG-CHWSQXEVSA-N 1 0 326.271 4.102 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000572490434 1036525907 /nfs/dbraw/zinc/52/59/07/1036525907.db2.gz ARAZCGPSSBQSOF-MRXNPFEDSA-N 1 0 335.289 4.226 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000602648157 1036541598 /nfs/dbraw/zinc/54/15/98/1036541598.db2.gz MCEZNGYWDDZENE-SZVBFZGTSA-N 1 0 330.447 4.150 20 30 EIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602628235 1036543707 /nfs/dbraw/zinc/54/37/07/1036543707.db2.gz VVFSRZFUHQAVGO-CQSZACIVSA-N 1 0 340.389 4.202 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(Cl)cc1O ZINC000602693616 1036566468 /nfs/dbraw/zinc/56/64/68/1036566468.db2.gz CTESQQUKVFCTOX-QGZVFWFLSA-N 1 0 342.826 4.093 20 30 EIEDRO CN(C)C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000602724614 1036595423 /nfs/dbraw/zinc/59/54/23/1036595423.db2.gz IOIOGNVGCPQMDX-AJUCZRQESA-N 1 0 340.298 4.268 20 30 EIEDRO COCC[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000602837934 1036639891 /nfs/dbraw/zinc/63/98/91/1036639891.db2.gz CFWHSCNCFCVPPR-OAHLLOKOSA-N 1 0 326.362 4.066 20 30 EIEDRO CC(C)[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000598602485 1036704376 /nfs/dbraw/zinc/70/43/76/1036704376.db2.gz SPUWFLFYJJGOFG-HZPDHXFCSA-N 1 0 342.405 4.293 20 30 EIEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598603516 1036704763 /nfs/dbraw/zinc/70/47/63/1036704763.db2.gz VALDBTCFFKBSSO-JKSUJKDBSA-N 1 0 342.405 4.293 20 30 EIEDRO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586620 1036710754 /nfs/dbraw/zinc/71/07/54/1036710754.db2.gz JESUHADQQXTBIC-YPMHNXCESA-N 1 0 329.271 4.287 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598613404 1036714090 /nfs/dbraw/zinc/71/40/90/1036714090.db2.gz XDFSMXYKOISBBK-XJKSGUPXSA-N 1 0 343.496 4.070 20 30 EIEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598613772 1036715850 /nfs/dbraw/zinc/71/58/50/1036715850.db2.gz XMBHMLSMNSJTBM-ROUUACIJSA-N 1 0 342.508 4.231 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000598604333 1036719345 /nfs/dbraw/zinc/71/93/45/1036719345.db2.gz QYUMWMMHHUXBLZ-WMXNSBIJSA-N 1 0 332.513 4.307 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)CC2 ZINC000589338800 1036737524 /nfs/dbraw/zinc/73/75/24/1036737524.db2.gz FWUNGOKOQJCNBP-GOTSBHOMSA-N 1 0 345.490 4.362 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccc1)c1ccncc1)CC2 ZINC000589336789 1036737922 /nfs/dbraw/zinc/73/79/22/1036737922.db2.gz IQNWEDNZKBRPNS-FCHUYYIVSA-N 1 0 325.415 4.320 20 30 EIEDRO CO[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000589341435 1036738108 /nfs/dbraw/zinc/73/81/08/1036738108.db2.gz FXCGEGNTPSUUOP-RTBURBONSA-N 1 0 326.827 4.176 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cccc(OC(F)F)c1 ZINC000589336455 1036739097 /nfs/dbraw/zinc/73/90/97/1036739097.db2.gz JZPDWZALXGVEFS-KPZWWZAWSA-N 1 0 328.362 4.498 20 30 EIEDRO CO[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000589341430 1036739380 /nfs/dbraw/zinc/73/93/80/1036739380.db2.gz FXCGEGNTPSUUOP-MOPGFXCFSA-N 1 0 326.827 4.176 20 30 EIEDRO CO[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000589341434 1036740441 /nfs/dbraw/zinc/74/04/41/1036740441.db2.gz FXCGEGNTPSUUOP-RBUKOAKNSA-N 1 0 326.827 4.176 20 30 EIEDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000589343347 1036742521 /nfs/dbraw/zinc/74/25/21/1036742521.db2.gz SBPNDXZKGOQUEV-IFMALSPDSA-N 1 0 334.463 4.173 20 30 EIEDRO COc1ccc(F)c(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000598676758 1036750701 /nfs/dbraw/zinc/75/07/01/1036750701.db2.gz KJGKTLGISCNHRB-UHFFFAOYSA-N 1 0 338.426 4.328 20 30 EIEDRO C[C@@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccc(C(F)(F)F)c1 ZINC000598718522 1036761067 /nfs/dbraw/zinc/76/10/67/1036761067.db2.gz FZINVQYVIWKXLK-BBRMVZONSA-N 1 0 342.405 4.089 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC(C)(C)c3cccc1c32 ZINC000598724808 1036762470 /nfs/dbraw/zinc/76/24/70/1036762470.db2.gz RDDDZSVHLCBCJB-RVKKMQEKSA-N 1 0 326.484 4.177 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593602965 1036762694 /nfs/dbraw/zinc/76/26/94/1036762694.db2.gz RCICDAGDHKBOCR-CVEARBPZSA-N 1 0 330.472 4.357 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000598725786 1036763392 /nfs/dbraw/zinc/76/33/92/1036763392.db2.gz PHOFOLWRFXHYEJ-QGZVFWFLSA-N 1 0 340.492 4.228 20 30 EIEDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000593620084 1036783942 /nfs/dbraw/zinc/78/39/42/1036783942.db2.gz FKOGMAQGGLNPOK-QFIPXVFZSA-N 1 0 342.446 4.138 20 30 EIEDRO CCOc1cc(Cl)ccc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000572651829 1036806864 /nfs/dbraw/zinc/80/68/64/1036806864.db2.gz URZQOQBCHXCTNG-SFHVURJKSA-N 1 0 326.827 4.387 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1OC ZINC000598976580 1036837042 /nfs/dbraw/zinc/83/70/42/1036837042.db2.gz AYLBRDJZUJSCLW-ZFWWWQNUSA-N 1 0 334.847 4.085 20 30 EIEDRO CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486776385 1036848651 /nfs/dbraw/zinc/84/86/51/1036848651.db2.gz HPIACXMZSDZQQI-NRFANRHFSA-N 1 0 347.506 4.194 20 30 EIEDRO Cc1cccc([C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C(C)C)c1 ZINC000599028613 1036850045 /nfs/dbraw/zinc/85/00/45/1036850045.db2.gz XVVQYADFNXFUPA-QFIPXVFZSA-N 1 0 348.494 4.217 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000589738937 1036872269 /nfs/dbraw/zinc/87/22/69/1036872269.db2.gz FYZFVYGVHYZFMD-SJORKVTESA-N 1 0 345.487 4.026 20 30 EIEDRO N#Cc1cccc(CNc2ccc(SCC[NH+]3CCCC3)cc2)c1 ZINC000593678523 1036879883 /nfs/dbraw/zinc/87/98/83/1036879883.db2.gz NTSLVUAJIBXEKG-UHFFFAOYSA-N 1 0 337.492 4.358 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000513762359 1036880142 /nfs/dbraw/zinc/88/01/42/1036880142.db2.gz QRPZDLHRTDOZFV-QFIPXVFZSA-N 1 0 349.478 4.277 20 30 EIEDRO C/C(=C/c1ccccc1)C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593692997 1036892769 /nfs/dbraw/zinc/89/27/69/1036892769.db2.gz LAOUVWYOKIYHKY-RGEXLXHISA-N 1 0 345.490 4.216 20 30 EIEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000589949278 1036898700 /nfs/dbraw/zinc/89/87/00/1036898700.db2.gz QUTIQCCNQKJKDY-HSMVNMDESA-N 1 0 333.273 4.354 20 30 EIEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693410 1036898956 /nfs/dbraw/zinc/89/89/56/1036898956.db2.gz XVBXAZAOGSQDOK-AVRDEDQJSA-N 1 0 337.511 4.105 20 30 EIEDRO C[C@H](CC[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000593695310 1036899732 /nfs/dbraw/zinc/89/97/32/1036899732.db2.gz KNYOLVFPIQPBLQ-LJQANCHMSA-N 1 0 347.506 4.306 20 30 EIEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593719271 1036927360 /nfs/dbraw/zinc/92/73/60/1036927360.db2.gz AWESPTIIZJBCBA-GAJHUEQPSA-N 1 0 345.490 4.046 20 30 EIEDRO CCCC[N@H+](C)CC1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000486980920 1036930975 /nfs/dbraw/zinc/93/09/75/1036930975.db2.gz PLVKRNVNFQDKJS-UHFFFAOYSA-N 1 0 336.483 4.055 20 30 EIEDRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593723807 1036947930 /nfs/dbraw/zinc/94/79/30/1036947930.db2.gz ZSJDXAMDZOHIQC-FPOVZHCZSA-N 1 0 325.500 4.081 20 30 EIEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000599316880 1036950763 /nfs/dbraw/zinc/95/07/63/1036950763.db2.gz GETMKJIPSLFLCA-VXKWHMMOSA-N 1 0 348.490 4.395 20 30 EIEDRO Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1C#N ZINC000599325522 1036954497 /nfs/dbraw/zinc/95/44/97/1036954497.db2.gz HTEJGUDUIHYQTJ-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO CCC[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000599349114 1036963932 /nfs/dbraw/zinc/96/39/32/1036963932.db2.gz KPOUMWKVXJKKAM-CVEARBPZSA-N 1 0 340.389 4.191 20 30 EIEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000599362019 1036978040 /nfs/dbraw/zinc/97/80/40/1036978040.db2.gz OLRLDLIXWAZRQX-QZTJIDSGSA-N 1 0 332.875 4.216 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(N2CCCC2)c1 ZINC000271757345 1037007672 /nfs/dbraw/zinc/00/76/72/1037007672.db2.gz DSSWDGXXUVPLNH-KRWDZBQOSA-N 1 0 335.451 4.040 20 30 EIEDRO C[N@H+](CCOc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cc1 ZINC000603838841 1037021246 /nfs/dbraw/zinc/02/12/46/1037021246.db2.gz PAXRFGJGAXUBJN-UHFFFAOYSA-N 1 0 334.341 4.088 20 30 EIEDRO COc1ccc(CC[NH2+][C@@H](C)c2cccc(C#N)c2)c(Cl)c1OC ZINC000590258910 1037025098 /nfs/dbraw/zinc/02/50/98/1037025098.db2.gz IDAYNVXBZKUJRK-ZDUSSCGKSA-N 1 0 344.842 4.122 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271839467 1037030091 /nfs/dbraw/zinc/03/00/91/1037030091.db2.gz GPTBNMNEFJRBIW-MDOVXXIYSA-N 1 0 342.414 4.155 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc([S@](C)=O)cc1 ZINC000271848846 1037036278 /nfs/dbraw/zinc/03/62/78/1037036278.db2.gz VNEYVRAGUUIOFX-MYYSRTQBSA-N 1 0 340.492 4.076 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(Br)cc2Cl)C1 ZINC000590263995 1037037297 /nfs/dbraw/zinc/03/72/97/1037037297.db2.gz IMKWNOAMPLCBTJ-RISCZKNCSA-N 1 0 341.680 4.317 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000590260447 1037037555 /nfs/dbraw/zinc/03/75/55/1037037555.db2.gz UFMMSZONSQDCBN-SFHVURJKSA-N 1 0 345.368 4.182 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000271887475 1037044836 /nfs/dbraw/zinc/04/48/36/1037044836.db2.gz RCAYWDWDHSMPTR-UHFFFAOYSA-N 1 0 325.843 4.229 20 30 EIEDRO C[C@@H]1CN(Cc2cc(C#N)ccc2Br)C[C@H](C)C1(F)F ZINC000599516262 1037046037 /nfs/dbraw/zinc/04/60/37/1037046037.db2.gz ZVTOOOCIYBUESP-PHIMTYICSA-N 1 0 343.215 4.044 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](COC)c2ccc(Cl)cc2)c1 ZINC000487215212 1037052141 /nfs/dbraw/zinc/05/21/41/1037052141.db2.gz MERYTNWCXFHSLI-IBGZPJMESA-N 1 0 331.843 4.382 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000057555221 1037107995 /nfs/dbraw/zinc/10/79/95/1037107995.db2.gz DPBHBHRQVSWZAG-CVEARBPZSA-N 1 0 343.430 4.389 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000057555223 1037110108 /nfs/dbraw/zinc/11/01/08/1037110108.db2.gz DPBHBHRQVSWZAG-JKSUJKDBSA-N 1 0 343.430 4.389 20 30 EIEDRO Cc1ccc(-c2noc([C@H](C)[NH2+]CC(C)(C)CCC#N)n2)cc1F ZINC000488004094 1037321019 /nfs/dbraw/zinc/32/10/19/1037321019.db2.gz DXLHZNDBRFYMKL-ZDUSSCGKSA-N 1 0 330.407 4.165 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(COC)c2)ccc1OC ZINC000057963853 1037355418 /nfs/dbraw/zinc/35/54/18/1037355418.db2.gz UXIHEQCKUHHJDP-UHFFFAOYSA-N 1 0 341.451 4.086 20 30 EIEDRO Cc1cc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)ccc1C#N ZINC000488217363 1037417755 /nfs/dbraw/zinc/41/77/55/1037417755.db2.gz NJQFWDNFKXJOCB-UHFFFAOYSA-N 1 0 330.435 4.123 20 30 EIEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nccs1 ZINC000273428795 1037465061 /nfs/dbraw/zinc/46/50/61/1037465061.db2.gz KQMNWYAUBUPVQB-DMKPSLHHSA-N 1 0 325.481 4.240 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)cc1Cl ZINC000604768425 1037512072 /nfs/dbraw/zinc/51/20/72/1037512072.db2.gz QNZHNQYKBXTQEF-DNVCBOLYSA-N 1 0 345.870 4.159 20 30 EIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000604892850 1037578322 /nfs/dbraw/zinc/57/83/22/1037578322.db2.gz FUKIRLLLZBHZQW-HNNXBMFYSA-N 1 0 329.415 4.468 20 30 EIEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000604892853 1037579168 /nfs/dbraw/zinc/57/91/68/1037579168.db2.gz FUKIRLLLZBHZQW-OAHLLOKOSA-N 1 0 329.415 4.468 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171768666 1037660848 /nfs/dbraw/zinc/66/08/48/1037660848.db2.gz GBKCLKYPLCTHLM-KRWDZBQOSA-N 1 0 337.467 4.286 20 30 EIEDRO C=CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704518 1037716861 /nfs/dbraw/zinc/71/68/61/1037716861.db2.gz SHLOECJIGLNMJR-COPCDDAFSA-N 1 0 348.490 4.298 20 30 EIEDRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(CCC#N)CC2)c(C)c1 ZINC000573917101 1037719795 /nfs/dbraw/zinc/71/97/95/1037719795.db2.gz MHDKWJULLLVZNS-UHFFFAOYSA-N 1 0 341.499 4.346 20 30 EIEDRO N#Cc1cnccc1C[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000592123005 1037735926 /nfs/dbraw/zinc/73/59/26/1037735926.db2.gz OVXFKWVGPYLLAQ-HNNXBMFYSA-N 1 0 345.368 4.352 20 30 EIEDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000592143812 1037739054 /nfs/dbraw/zinc/73/90/54/1037739054.db2.gz PQGZYVUZUPAYIE-FQEVSTJZSA-N 1 0 344.474 4.323 20 30 EIEDRO C[C@@H]1C[C@@]1([NH2+]CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000503434243 1037755022 /nfs/dbraw/zinc/75/50/22/1037755022.db2.gz RHYIGVFONFTLGD-BEFAXECRSA-N 1 0 332.875 4.265 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)c2ccccc21)C(C)C ZINC000503436255 1037757529 /nfs/dbraw/zinc/75/75/29/1037757529.db2.gz JUVKFBLYBFGUSM-YLJYHZDGSA-N 1 0 341.499 4.018 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000488849822 1037782790 /nfs/dbraw/zinc/78/27/90/1037782790.db2.gz FGUFZHRNZVUNNF-ROUUACIJSA-N 1 0 340.511 4.133 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=S)Nc1c(C)cccc1C)C(C)C ZINC000911614365 1037783717 /nfs/dbraw/zinc/78/37/17/1037783717.db2.gz PEJVFNDBTNVHEQ-GOSISDBHSA-N 1 0 345.556 4.288 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000592185414 1037783756 /nfs/dbraw/zinc/78/37/56/1037783756.db2.gz YXNFTJGZLQCDPC-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO COc1ccc(Br)cc1C1([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000592391893 1037796807 /nfs/dbraw/zinc/79/68/07/1037796807.db2.gz SLKVBSAXXOIYSL-TZMCWYRMSA-N 1 0 349.272 4.119 20 30 EIEDRO CC(C)Oc1ccc(CC#N)cc1-c1cccc(OCC[NH+](C)C)c1 ZINC000592985078 1037897012 /nfs/dbraw/zinc/89/70/12/1037897012.db2.gz SUCVLJYIZKVIAC-UHFFFAOYSA-N 1 0 338.451 4.147 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](CCCc3cccc(F)c3)CC2)c1 ZINC000489230031 1037899201 /nfs/dbraw/zinc/89/92/01/1037899201.db2.gz FVLYDELTYJMMSU-UHFFFAOYSA-N 1 0 338.426 4.173 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2(c3ccccc3Br)CCC2)c1 ZINC000593038247 1037906840 /nfs/dbraw/zinc/90/68/40/1037906840.db2.gz AYVFFJRPCCZYPH-UHFFFAOYSA-N 1 0 341.252 4.490 20 30 EIEDRO C[C@H](CSc1ccccc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000593047217 1037908235 /nfs/dbraw/zinc/90/82/35/1037908235.db2.gz WSHOBTAKRVWWRY-QGZVFWFLSA-N 1 0 332.513 4.200 20 30 EIEDRO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593046664 1037909516 /nfs/dbraw/zinc/90/95/16/1037909516.db2.gz QVHVZQCSOSNNRJ-AWEZNQCLSA-N 1 0 341.436 4.079 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653635 1038116394 /nfs/dbraw/zinc/11/63/94/1038116394.db2.gz UCWXSNJHTYZPFW-MRXNPFEDSA-N 1 0 327.472 4.201 20 30 EIEDRO C[C@@H](CC1CCCC1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593704154 1038127845 /nfs/dbraw/zinc/12/78/45/1038127845.db2.gz YUJPGHVXQVCNJQ-KRWDZBQOSA-N 1 0 325.500 4.081 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c2cccnc12 ZINC000063300165 1038195898 /nfs/dbraw/zinc/19/58/98/1038195898.db2.gz YJUNCAWMCPIZDK-UHFFFAOYSA-N 1 0 331.394 4.434 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1F ZINC000423425203 1038210837 /nfs/dbraw/zinc/21/08/37/1038210837.db2.gz DDHJONCNYNHDNJ-KZULUSFZSA-N 1 0 339.414 4.233 20 30 EIEDRO Fc1ccc2c(c1)CC[C@H]([NH2+]CCC(C(F)(F)F)C(F)(F)F)C2 ZINC001168422115 1038219361 /nfs/dbraw/zinc/21/93/61/1038219361.db2.gz VIUNXJDMSBTKMZ-LBPRGKRZSA-N 1 0 343.286 4.404 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1noc2ccccc21 ZINC000593959133 1038230370 /nfs/dbraw/zinc/23/03/70/1038230370.db2.gz HAUPYOARYQWRAB-AZUAARDMSA-N 1 0 331.419 4.142 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(OC(F)F)c1 ZINC000489843458 1038249411 /nfs/dbraw/zinc/24/94/11/1038249411.db2.gz MTOURVPCRQGRGI-HNNXBMFYSA-N 1 0 346.352 4.288 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)CCCS2 ZINC000574452376 1038250446 /nfs/dbraw/zinc/25/04/46/1038250446.db2.gz FOBMILIGSRBWCK-IBGZPJMESA-N 1 0 338.476 4.478 20 30 EIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CCCCC#N)cc1 ZINC000594220078 1038276881 /nfs/dbraw/zinc/27/68/81/1038276881.db2.gz OGVMYASUNBCLDC-UHFFFAOYSA-N 1 0 349.478 4.115 20 30 EIEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000594435986 1038332143 /nfs/dbraw/zinc/33/21/43/1038332143.db2.gz GGXOYTFNKCGPGL-OAQYLSRUSA-N 1 0 349.478 4.212 20 30 EIEDRO Cc1ccc(Oc2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594425244 1038339900 /nfs/dbraw/zinc/33/99/00/1038339900.db2.gz GUIMCCGPIVKNHM-QGZVFWFLSA-N 1 0 337.423 4.137 20 30 EIEDRO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000594493439 1038343192 /nfs/dbraw/zinc/34/31/92/1038343192.db2.gz OLQMWRYJLTVANF-UHFFFAOYSA-N 1 0 349.478 4.372 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2cnn(-c3ccccc3)c2)cc1 ZINC000594496080 1038345817 /nfs/dbraw/zinc/34/58/17/1038345817.db2.gz ZKPZCSJTUFFGOH-UHFFFAOYSA-N 1 0 344.462 4.006 20 30 EIEDRO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499375 1038348041 /nfs/dbraw/zinc/34/80/41/1038348041.db2.gz CXBHANHKPLFVQZ-SFHVURJKSA-N 1 0 336.435 4.110 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c(N2CCCC2)n1 ZINC000594501463 1038349695 /nfs/dbraw/zinc/34/96/95/1038349695.db2.gz WYORIRNWSDBVEP-UHFFFAOYSA-N 1 0 348.494 4.081 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000594506306 1038350570 /nfs/dbraw/zinc/35/05/70/1038350570.db2.gz PXLBMTMZKZDAOG-KRWDZBQOSA-N 1 0 342.870 4.007 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594513705 1038357243 /nfs/dbraw/zinc/35/72/43/1038357243.db2.gz GSOCZYFROUEGMG-HRCADAONSA-N 1 0 336.520 4.298 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000594512876 1038358877 /nfs/dbraw/zinc/35/88/77/1038358877.db2.gz SJYHPYIMBMMVAZ-INAZGPRKSA-N 1 0 338.495 4.328 20 30 EIEDRO N#Cc1csc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000594521975 1038360233 /nfs/dbraw/zinc/36/02/33/1038360233.db2.gz WIHFTHMTFNJFGV-UHFFFAOYSA-N 1 0 338.354 4.297 20 30 EIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1nc2ccccc2n1C ZINC000594517761 1038360503 /nfs/dbraw/zinc/36/05/03/1038360503.db2.gz MGLZXUUJUPMMCK-HNNXBMFYSA-N 1 0 330.435 4.175 20 30 EIEDRO CC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000594520345 1038361740 /nfs/dbraw/zinc/36/17/40/1038361740.db2.gz NEBSIXFZIKRBEZ-YZDRJCRTSA-N 1 0 326.484 4.328 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000594611887 1038383120 /nfs/dbraw/zinc/38/31/20/1038383120.db2.gz OSCVTPSNGFKNCM-JKSUJKDBSA-N 1 0 326.362 4.014 20 30 EIEDRO CC(C)OCc1ccccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594915668 1038424697 /nfs/dbraw/zinc/42/46/97/1038424697.db2.gz VVGMISYSYVCZNE-UHFFFAOYSA-N 1 0 334.463 4.457 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](c3ccco3)N3CCCCC3)cc2)CC1 ZINC000594929244 1038428557 /nfs/dbraw/zinc/42/85/57/1038428557.db2.gz RBJWZVFUDPFZQF-FQEVSTJZSA-N 1 0 349.478 4.152 20 30 EIEDRO Cc1noc(C)c1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000063550084 1038432686 /nfs/dbraw/zinc/43/26/86/1038432686.db2.gz JNGWLIMSIKNPOK-UHFFFAOYSA-N 1 0 347.418 4.032 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3cccc(OC4CC4)c3F)cc2)CC1 ZINC000594971553 1038485436 /nfs/dbraw/zinc/48/54/36/1038485436.db2.gz LCDZKNVABGZMFI-UHFFFAOYSA-N 1 0 336.410 4.212 20 30 EIEDRO CC(C)(C)OC1CC(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594937875 1038499950 /nfs/dbraw/zinc/49/99/50/1038499950.db2.gz JJPZZPNEKIWVRE-UHFFFAOYSA-N 1 0 326.484 4.315 20 30 EIEDRO CC(C)(CO)[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594949444 1038514534 /nfs/dbraw/zinc/51/45/34/1038514534.db2.gz DOAVQTRQGZTBLA-OAQYLSRUSA-N 1 0 348.490 4.134 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3cc(Cl)cc4c3OCC4)cc2)CC1 ZINC000594947142 1038522848 /nfs/dbraw/zinc/52/28/48/1038522848.db2.gz SYFSGFYKGQPIHV-UHFFFAOYSA-N 1 0 338.838 4.120 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000594954525 1038536002 /nfs/dbraw/zinc/53/60/02/1038536002.db2.gz HCAYOLGBWCXHFC-NSHDSACASA-N 1 0 335.270 4.276 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000594965184 1038550167 /nfs/dbraw/zinc/55/01/67/1038550167.db2.gz RHNYMKFXWAVHNB-RBBKRZOGSA-N 1 0 337.511 4.247 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1cc(F)cc(Br)c1 ZINC000424291818 1038769219 /nfs/dbraw/zinc/76/92/19/1038769219.db2.gz FOPSQBVOVDQWSA-UVBJJODRSA-N 1 0 342.252 4.220 20 30 EIEDRO C=CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000667195706 1038805102 /nfs/dbraw/zinc/80/51/02/1038805102.db2.gz DPPHATFVHQJBPR-HNAYVOBHSA-N 1 0 327.472 4.056 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)c(Cl)c2)CC1 ZINC000555023861 1038829419 /nfs/dbraw/zinc/82/94/19/1038829419.db2.gz BTODQNSOBRFLHQ-UHFFFAOYSA-N 1 0 334.891 4.018 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000174091488 1038840855 /nfs/dbraw/zinc/84/08/55/1038840855.db2.gz DJGZJCHKGLFHJA-HNAYVOBHSA-N 1 0 349.434 4.099 20 30 EIEDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C#N)c1 ZINC000504926954 1038859280 /nfs/dbraw/zinc/85/92/80/1038859280.db2.gz LQOWFYGDUJQSCE-MRXNPFEDSA-N 1 0 341.436 4.127 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000552033538 1038871623 /nfs/dbraw/zinc/87/16/23/1038871623.db2.gz HKBBHSLBFGAIDX-CQSZACIVSA-N 1 0 341.405 4.156 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000505034631 1038905503 /nfs/dbraw/zinc/90/55/03/1038905503.db2.gz FMFFGYYBUCMWDN-WMZOPIPTSA-N 1 0 329.488 4.142 20 30 EIEDRO COc1cc(CCC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc(OC)c1 ZINC000555300477 1039039761 /nfs/dbraw/zinc/03/97/61/1039039761.db2.gz KKKDHQOWWNBMLL-RTBURBONSA-N 1 0 342.483 4.041 20 30 EIEDRO CC1(C)CCCC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481178579 1039078919 /nfs/dbraw/zinc/07/89/19/1039078919.db2.gz WQDBLWHHHKDLEJ-QGZVFWFLSA-N 1 0 347.890 4.145 20 30 EIEDRO CC1(C)CCCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481178578 1039080798 /nfs/dbraw/zinc/08/07/98/1039080798.db2.gz WQDBLWHHHKDLEJ-KRWDZBQOSA-N 1 0 347.890 4.145 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)cc1 ZINC000552091227 1039116608 /nfs/dbraw/zinc/11/66/08/1039116608.db2.gz FSPCHDPQCLPCJG-IBGZPJMESA-N 1 0 325.456 4.386 20 30 EIEDRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000555376859 1039126786 /nfs/dbraw/zinc/12/67/86/1039126786.db2.gz CEMPDNNAKOVLOH-RVKKMQEKSA-N 1 0 332.875 4.295 20 30 EIEDRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000555376860 1039127801 /nfs/dbraw/zinc/12/78/01/1039127801.db2.gz CEMPDNNAKOVLOH-VKJFTORMSA-N 1 0 332.875 4.295 20 30 EIEDRO C[C@H](c1ccc(Cl)cc1)N1CCN(Cc2ccc(C#N)s2)CC1 ZINC000537632889 1039308475 /nfs/dbraw/zinc/30/84/75/1039308475.db2.gz XQPWRPYCYBKODP-CQSZACIVSA-N 1 0 345.899 4.152 20 30 EIEDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552275027 1039351538 /nfs/dbraw/zinc/35/15/38/1039351538.db2.gz IUOSMWSNGSRNHJ-GAJHUEQPSA-N 1 0 345.490 4.440 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC000550818664 1039372865 /nfs/dbraw/zinc/37/28/65/1039372865.db2.gz PNTUEPLNCYNSKY-IFMALSPDSA-N 1 0 336.479 4.177 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000491227614 1039437235 /nfs/dbraw/zinc/43/72/35/1039437235.db2.gz GJOZSYGUNNHHKS-LJQANCHMSA-N 1 0 336.483 4.359 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000481446068 1039439245 /nfs/dbraw/zinc/43/92/45/1039439245.db2.gz RTMXGOMOARRLFJ-XIKOKIGWSA-N 1 0 332.806 4.217 20 30 EIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000093008188 1039619443 /nfs/dbraw/zinc/61/94/43/1039619443.db2.gz ZREOODVFPUUCNB-OXQOHEQNSA-N 1 0 336.435 4.323 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000481606835 1039626777 /nfs/dbraw/zinc/62/67/77/1039626777.db2.gz SIPGWFBXWWUIIL-IBGZPJMESA-N 1 0 328.362 4.122 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@@H](C)c2sc(C)nc2C)cc(OC)c1O ZINC000093275099 1039648309 /nfs/dbraw/zinc/64/83/09/1039648309.db2.gz IWOQPASINALMJR-ZDUSSCGKSA-N 1 0 346.496 4.396 20 30 EIEDRO N#CC1(C[NH+]2CCC(COc3ccccc3C(F)(F)F)CC2)CC1 ZINC000481626053 1039656843 /nfs/dbraw/zinc/65/68/43/1039656843.db2.gz XBHOBQQCHNDDNC-UHFFFAOYSA-N 1 0 338.373 4.100 20 30 EIEDRO C=C[C@@H](Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1)c1ccccc1 ZINC000534692663 1039721083 /nfs/dbraw/zinc/72/10/83/1039721083.db2.gz RGUCWHDWXUQVBN-KRWDZBQOSA-N 1 0 333.435 4.311 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000481677281 1039730151 /nfs/dbraw/zinc/73/01/51/1039730151.db2.gz ZFPSMDUAFVNNMI-FQEVSTJZSA-N 1 0 335.407 4.066 20 30 EIEDRO C[C@H](O)C[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1 ZINC000481678824 1039736537 /nfs/dbraw/zinc/73/65/37/1039736537.db2.gz QMHMNJGQAPJMRH-HYVJGQCMSA-N 1 0 348.490 4.470 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168426491 1039784873 /nfs/dbraw/zinc/78/48/73/1039784873.db2.gz LGIAEDAYEHANKN-OAQYLSRUSA-N 1 0 334.438 4.240 20 30 EIEDRO CC[C@@H](C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730771 1039795102 /nfs/dbraw/zinc/79/51/02/1039795102.db2.gz DHGGJDPMMCLOEY-MSOLQXFVSA-N 1 0 349.478 4.401 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000442675458 1039845615 /nfs/dbraw/zinc/84/56/15/1039845615.db2.gz YTHRIRBWEMXNIW-PGRDOPGGSA-N 1 0 334.463 4.343 20 30 EIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000534903901 1039846319 /nfs/dbraw/zinc/84/63/19/1039846319.db2.gz HWXHXSZVKVIEKL-OAHLLOKOSA-N 1 0 326.415 4.017 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000552881378 1039856823 /nfs/dbraw/zinc/85/68/23/1039856823.db2.gz VAFXEWRBLKCDSP-UONOGXRCSA-N 1 0 333.435 4.200 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000600615578 1039862624 /nfs/dbraw/zinc/86/26/24/1039862624.db2.gz WMUDDOPEXDYPHX-YVEFUNNKSA-N 1 0 326.831 4.232 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC)cc1OC ZINC000061556296 1039873454 /nfs/dbraw/zinc/87/34/54/1039873454.db2.gz PWHHWOYQAJXDQZ-INIZCTEOSA-N 1 0 341.451 4.428 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000442691356 1039880128 /nfs/dbraw/zinc/88/01/28/1039880128.db2.gz LTJPSOJVSZORMW-PBHICJAKSA-N 1 0 326.827 4.426 20 30 EIEDRO C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1cccc(F)c1 ZINC000281921457 1039887516 /nfs/dbraw/zinc/88/75/16/1039887516.db2.gz HGCXPCZUSNKRRF-LPHOPBHVSA-N 1 0 330.447 4.309 20 30 EIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000425237229 1039912921 /nfs/dbraw/zinc/91/29/21/1039912921.db2.gz LCTJZBFTZCUMSC-AWEZNQCLSA-N 1 0 340.858 4.244 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000551274336 1040117804 /nfs/dbraw/zinc/11/78/04/1040117804.db2.gz OGFIVEBJWVWEAG-YIOZNXECSA-N 1 0 332.463 4.068 20 30 EIEDRO Cc1ccccc1[C@@H]([C@H](C)Nc1ncc(C#N)cc1Cl)[NH+](C)C ZINC000553318986 1040149438 /nfs/dbraw/zinc/14/94/38/1040149438.db2.gz LSKNMXXQUFUZCK-SUMWQHHRSA-N 1 0 328.847 4.018 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cc1OC ZINC000482508155 1040308543 /nfs/dbraw/zinc/30/85/43/1040308543.db2.gz LFPMXVQCDXZXPQ-HIFRSBDPSA-N 1 0 343.389 4.423 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667484221 1040325651 /nfs/dbraw/zinc/32/56/51/1040325651.db2.gz DKCPUOPUBBMFFO-SFHVURJKSA-N 1 0 329.465 4.104 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000482650801 1040413596 /nfs/dbraw/zinc/41/35/96/1040413596.db2.gz ZVLJPFWEFUKLFN-HXUWFJFHSA-N 1 0 328.500 4.147 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1F ZINC000551602186 1040453058 /nfs/dbraw/zinc/45/30/58/1040453058.db2.gz QCEQAXCJQKDCLM-OAHLLOKOSA-N 1 0 338.426 4.163 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000539494585 1040471150 /nfs/dbraw/zinc/47/11/50/1040471150.db2.gz KZYRAWWYNVAJKO-ZDUSSCGKSA-N 1 0 332.494 4.209 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000174653626 1040496327 /nfs/dbraw/zinc/49/63/27/1040496327.db2.gz AFSIKLPIDCZMAJ-ZIAGYGMSSA-N 1 0 330.378 4.149 20 30 EIEDRO C[C@H]([NH2+]C1(CNCc2ccc(C#N)s2)CCCC1)c1ccccc1 ZINC000539515480 1040496559 /nfs/dbraw/zinc/49/65/59/1040496559.db2.gz GJCZIDMOEOLMFC-INIZCTEOSA-N 1 0 339.508 4.373 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cccc(C#N)c1 ZINC000539509412 1040501776 /nfs/dbraw/zinc/50/17/76/1040501776.db2.gz ZSHNEKCFZRYPAU-CJNGLKHVSA-N 1 0 343.833 4.280 20 30 EIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)c1ccccc1Br ZINC000539524586 1040507536 /nfs/dbraw/zinc/50/75/36/1040507536.db2.gz NZHPQJWIMGYDAP-UHFFFAOYSA-N 1 0 349.297 4.450 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000435663016 1040516175 /nfs/dbraw/zinc/51/61/75/1040516175.db2.gz GVMMJSNWZXCDDG-DLVCFXQMSA-N 1 0 325.452 4.480 20 30 EIEDRO C[C@@H](CNc1c(Cl)cccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000462371275 1040520495 /nfs/dbraw/zinc/52/04/95/1040520495.db2.gz UAHXSEQYFLSLEM-AWEZNQCLSA-N 1 0 325.843 4.070 20 30 EIEDRO COc1ccc([C@@H]([NH2+]CCC(C)(C)C#N)c2ccc(F)cc2)cc1 ZINC000539569989 1040566484 /nfs/dbraw/zinc/56/64/84/1040566484.db2.gz XKXLRFIRQIAQDL-IBGZPJMESA-N 1 0 326.415 4.453 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCCC(C)C)c1 ZINC000435735489 1040589665 /nfs/dbraw/zinc/58/96/65/1040589665.db2.gz NJVBBERCPQBZCO-GHTZIAJQSA-N 1 0 347.499 4.191 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000435746161 1040598780 /nfs/dbraw/zinc/59/87/80/1040598780.db2.gz UIDYFXZENQYOHI-WMZOPIPTSA-N 1 0 328.481 4.189 20 30 EIEDRO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccsc1 ZINC000539610124 1040610308 /nfs/dbraw/zinc/61/03/08/1040610308.db2.gz QOKPKJRUGADJEE-AUUYWEPGSA-N 1 0 345.487 4.493 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+]CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000515313313 1040662941 /nfs/dbraw/zinc/66/29/41/1040662941.db2.gz TXCPISMRDSSAHQ-QGZVFWFLSA-N 1 0 337.398 4.194 20 30 EIEDRO CC[N@H+](Cc1ccc(Br)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000483173277 1040747269 /nfs/dbraw/zinc/74/72/69/1040747269.db2.gz ZLQPAKUVFZLHFO-LBPRGKRZSA-N 1 0 333.229 4.497 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000505025275 1040774079 /nfs/dbraw/zinc/77/40/79/1040774079.db2.gz ZWTQZJGKWGASKV-IBGZPJMESA-N 1 0 341.499 4.001 20 30 EIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCc2ccccc2C1 ZINC000539828808 1040823729 /nfs/dbraw/zinc/82/37/29/1040823729.db2.gz IKLHSQXANJXZTH-NRFANRHFSA-N 1 0 334.463 4.358 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1OC ZINC000539851464 1040841032 /nfs/dbraw/zinc/84/10/32/1040841032.db2.gz WGXLUWDRFZEFAF-LPHOPBHVSA-N 1 0 333.497 4.120 20 30 EIEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000479995420 1040853926 /nfs/dbraw/zinc/85/39/26/1040853926.db2.gz LBFURHDMOPGJCU-UYAOXDASSA-N 1 0 336.483 4.263 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)c1ccc(C#N)cc1 ZINC000924786796 1040869838 /nfs/dbraw/zinc/86/98/38/1040869838.db2.gz SYEXITQZAQJBAP-RYUDHWBXSA-N 1 0 330.229 4.128 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CCc2cccn2C)cc1Cl ZINC000462734032 1040875631 /nfs/dbraw/zinc/87/56/31/1040875631.db2.gz MHPPSEUYYDODDY-OAHLLOKOSA-N 1 0 332.875 4.354 20 30 EIEDRO CC(C)[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cccnc1 ZINC000537896744 1040882179 /nfs/dbraw/zinc/88/21/79/1040882179.db2.gz ILEUKMNBZKGGCZ-UHFFFAOYSA-N 1 0 348.368 4.242 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCC3)ccc1OC ZINC000462765600 1040902849 /nfs/dbraw/zinc/90/28/49/1040902849.db2.gz JDMXRKFCKIHXBG-WOJBJXKFSA-N 1 0 345.483 4.087 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](OC)c2cccc(Cl)c2)cc1 ZINC000462758089 1040905981 /nfs/dbraw/zinc/90/59/81/1040905981.db2.gz TUKDDHOAALRGSJ-IBGZPJMESA-N 1 0 331.843 4.382 20 30 EIEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000483614865 1040910961 /nfs/dbraw/zinc/91/09/61/1040910961.db2.gz OSIFDESOZHANKI-OAHLLOKOSA-N 1 0 347.380 4.326 20 30 EIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000537946406 1040940808 /nfs/dbraw/zinc/94/08/08/1040940808.db2.gz DDZQMZAFDCOMDR-KXBFYZLASA-N 1 0 333.435 4.267 20 30 EIEDRO COc1cccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)c1 ZINC000537972960 1040975584 /nfs/dbraw/zinc/97/55/84/1040975584.db2.gz LILRLAQCKLQVHH-OAHLLOKOSA-N 1 0 326.465 4.151 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)c1 ZINC000539980791 1040995286 /nfs/dbraw/zinc/99/52/86/1040995286.db2.gz VOAGGBVNRDRBIJ-QRWLVFNGSA-N 1 0 329.415 4.256 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000436291303 1041058105 /nfs/dbraw/zinc/05/81/05/1041058105.db2.gz LMFZVOVCSYORKO-FFSVYQOJSA-N 1 0 342.252 4.220 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000436301954 1041070824 /nfs/dbraw/zinc/07/08/24/1041070824.db2.gz PUCZWOJQESHVJO-VPWXQRGCSA-N 1 0 333.472 4.116 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000436307479 1041077589 /nfs/dbraw/zinc/07/75/89/1041077589.db2.gz KILWMXCYGCNMGB-OZVIIMIRSA-N 1 0 342.252 4.220 20 30 EIEDRO C[N@H+](CCC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCCCC1 ZINC000554398374 1041081058 /nfs/dbraw/zinc/08/10/58/1041081058.db2.gz FKXDRUXJKMHCLH-FQEVSTJZSA-N 1 0 341.499 4.192 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000538195248 1041163666 /nfs/dbraw/zinc/16/36/66/1041163666.db2.gz OGMKDFNCWWFLRE-BBRMVZONSA-N 1 0 346.471 4.101 20 30 EIEDRO Clc1ccccc1C#CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000538233598 1041204641 /nfs/dbraw/zinc/20/46/41/1041204641.db2.gz UVVPODYILXAUPK-DYESRHJHSA-N 1 0 339.866 4.449 20 30 EIEDRO C[C@@H]1C[C@@H](CCNc2c(C#N)cccc2C#N)C[N@@H+]1Cc1ccccc1 ZINC000436399876 1041205063 /nfs/dbraw/zinc/20/50/63/1041205063.db2.gz JWWGSDVLKMJJFA-IEBWSBKVSA-N 1 0 344.462 4.143 20 30 EIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540167473 1041209342 /nfs/dbraw/zinc/20/93/42/1041209342.db2.gz ZMOVNBXJRHPALD-NXEZZACHSA-N 1 0 346.784 4.092 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000540175955 1041220950 /nfs/dbraw/zinc/22/09/50/1041220950.db2.gz MVFPPPBCTHENOQ-ZDUSSCGKSA-N 1 0 332.419 4.420 20 30 EIEDRO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)CC1CCCCC1 ZINC000484487227 1041258709 /nfs/dbraw/zinc/25/87/09/1041258709.db2.gz MAXFSUSYNFWOAU-UHFFFAOYSA-N 1 0 338.854 4.486 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000538406985 1041302785 /nfs/dbraw/zinc/30/27/85/1041302785.db2.gz BXEFWCVIUNJLMA-KPOBHBOGSA-N 1 0 339.870 4.308 20 30 EIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538395912 1041314357 /nfs/dbraw/zinc/31/43/57/1041314357.db2.gz SNPPXAOPAUSQEP-IRLDBZIGSA-N 1 0 339.527 4.471 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccccc3Br)CC2)s1 ZINC000538415278 1041317450 /nfs/dbraw/zinc/31/74/50/1041317450.db2.gz FLPNFPLSPRNXSO-UHFFFAOYSA-N 1 0 347.281 4.204 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(C#N)c(F)c1 ZINC000538502520 1041381662 /nfs/dbraw/zinc/38/16/62/1041381662.db2.gz XSMYRLPFDQYTMW-IIBYNOLFSA-N 1 0 337.442 4.185 20 30 EIEDRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]CCCCC#N)cc1 ZINC000484656176 1041384880 /nfs/dbraw/zinc/38/48/80/1041384880.db2.gz TYPRPAYRXZVIRA-WOJBJXKFSA-N 1 0 330.472 4.449 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000505853263 1041387674 /nfs/dbraw/zinc/38/76/74/1041387674.db2.gz JPNDNAJRJLBWEV-UHFFFAOYSA-N 1 0 342.442 4.220 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538507702 1041396279 /nfs/dbraw/zinc/39/62/79/1041396279.db2.gz YYKACJIJLQCXMQ-OXJNMPFZSA-N 1 0 337.442 4.013 20 30 EIEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2C#N)C1 ZINC000463201568 1041428429 /nfs/dbraw/zinc/42/84/29/1041428429.db2.gz MACQGMYIZCHNAN-FCDRMGDPSA-N 1 0 346.902 4.363 20 30 EIEDRO CC(C)[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCOC1 ZINC000463231304 1041438620 /nfs/dbraw/zinc/43/86/20/1041438620.db2.gz WRKHDYRYSIGLGS-QFIPXVFZSA-N 1 0 348.490 4.386 20 30 EIEDRO CC1CCC(Oc2cc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)ccn2)CC1 ZINC000463235582 1041442299 /nfs/dbraw/zinc/44/22/99/1041442299.db2.gz GYXXXUFXPRGDFY-YDXUJSMASA-N 1 0 327.472 4.211 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000554844201 1041443432 /nfs/dbraw/zinc/44/34/32/1041443432.db2.gz VKZWTZYKWGTCEP-HNNXBMFYSA-N 1 0 329.403 4.001 20 30 EIEDRO C[C@H](CC1CCCCC1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000463241196 1041448081 /nfs/dbraw/zinc/44/80/81/1041448081.db2.gz AUYYAFSKLNIWNF-GOSISDBHSA-N 1 0 339.527 4.471 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000463240107 1041448470 /nfs/dbraw/zinc/44/84/70/1041448470.db2.gz JDUBTCZCDWAXPK-SOHDHNSJSA-N 1 0 347.453 4.161 20 30 EIEDRO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001270130086 1041491267 /nfs/dbraw/zinc/49/12/67/1041491267.db2.gz AIWBIVLLISUIFU-HKUYNNGSSA-N 1 0 328.500 4.006 20 30 EIEDRO Cc1nc(Cl)cc(N=NC2CCCC[C@@H]2[NH+]2CCCCCC2)n1 ZINC000749814283 1041525974 /nfs/dbraw/zinc/52/59/74/1041525974.db2.gz NBZPKXIPTCPIGW-HNNXBMFYSA-N 1 0 335.883 4.025 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1-n1cccn1 ZINC000516352782 1041541739 /nfs/dbraw/zinc/54/17/39/1041541739.db2.gz DNNZTOZVRUQPIO-YWZLYKJASA-N 1 0 328.419 4.082 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000540594237 1041549868 /nfs/dbraw/zinc/54/98/68/1041549868.db2.gz PSUYPEZWBCWIIL-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000540594693 1041551076 /nfs/dbraw/zinc/55/10/76/1041551076.db2.gz XQLVQBIZZXTSSM-ZDUSSCGKSA-N 1 0 342.826 4.224 20 30 EIEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540606622 1041560205 /nfs/dbraw/zinc/56/02/05/1041560205.db2.gz OJMLCLUOEWMMGT-SBUREZEXSA-N 1 0 345.490 4.046 20 30 EIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000540705455 1041605189 /nfs/dbraw/zinc/60/51/89/1041605189.db2.gz GMXKEPIPZPOKOF-XIKOKIGWSA-N 1 0 332.806 4.389 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000540705182 1041605199 /nfs/dbraw/zinc/60/51/99/1041605199.db2.gz CCKFWBAIEDQCCH-DJJJIMSYSA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@H]([NH2+]CCCN(C)c1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000540707358 1041606406 /nfs/dbraw/zinc/60/64/06/1041606406.db2.gz WPIYBIQGEGXXMH-AWEZNQCLSA-N 1 0 329.394 4.014 20 30 EIEDRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437083194 1041630471 /nfs/dbraw/zinc/63/04/71/1041630471.db2.gz GHYAQXLYSRUADY-JYPHPWERSA-N 1 0 327.472 4.202 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000437109869 1041652376 /nfs/dbraw/zinc/65/23/76/1041652376.db2.gz KAGWQUOYDNYZQB-GZNCHQMQSA-N 1 0 347.462 4.310 20 30 EIEDRO N#Cc1csc(C[NH2+]CC2(Cc3ccccc3)CCCCC2)n1 ZINC000516606515 1041664214 /nfs/dbraw/zinc/66/42/14/1041664214.db2.gz LJLXMGUWSVYHNM-UHFFFAOYSA-N 1 0 325.481 4.298 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000540918668 1041738273 /nfs/dbraw/zinc/73/82/73/1041738273.db2.gz VODACIJTKSONFF-ILZDJORESA-N 1 0 334.467 4.017 20 30 EIEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)cc(C)c1OCc1ccccn1 ZINC000540996966 1041773895 /nfs/dbraw/zinc/77/38/95/1041773895.db2.gz YRKXGZLJXDMUAN-UHFFFAOYSA-N 1 0 349.478 4.403 20 30 EIEDRO N#CCCC1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000516868174 1041789852 /nfs/dbraw/zinc/78/98/52/1041789852.db2.gz WXTLFYIYPQJIGY-UHFFFAOYSA-N 1 0 328.847 4.246 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1 ZINC000541090868 1041807150 /nfs/dbraw/zinc/80/71/50/1041807150.db2.gz XYGAKVYNPMDPGH-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000541314785 1041889666 /nfs/dbraw/zinc/88/96/66/1041889666.db2.gz JIIOOCXXAWGNCQ-YWZLYKJASA-N 1 0 336.435 4.159 20 30 EIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000541322952 1041893188 /nfs/dbraw/zinc/89/31/88/1041893188.db2.gz XWHHRNJAXGNXJD-QRWLVFNGSA-N 1 0 336.435 4.159 20 30 EIEDRO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccc(CC#N)cc3)[C@@H](C)CO2)c1 ZINC000541348251 1041898302 /nfs/dbraw/zinc/89/83/02/1041898302.db2.gz BHJYFXUOKXZVJA-PGRDOPGGSA-N 1 0 334.463 4.332 20 30 EIEDRO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)[C@H](C)CO2)c1 ZINC000541348250 1041898619 /nfs/dbraw/zinc/89/86/19/1041898619.db2.gz BHJYFXUOKXZVJA-GCJKJVERSA-N 1 0 334.463 4.332 20 30 EIEDRO N#CCCC1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC000517390451 1042001679 /nfs/dbraw/zinc/00/16/79/1042001679.db2.gz DHCSZFCUZCCYQD-UHFFFAOYSA-N 1 0 335.451 4.176 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000464435945 1042004482 /nfs/dbraw/zinc/00/44/82/1042004482.db2.gz BFCGOQGNNXZMIC-MSOLQXFVSA-N 1 0 328.500 4.280 20 30 EIEDRO COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000517558204 1042073834 /nfs/dbraw/zinc/07/38/34/1042073834.db2.gz GMLHORBZLQIRAL-NQIIRXRSSA-N 1 0 333.435 4.012 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccc(C#N)c(F)c2)cc1 ZINC000464651230 1042106846 /nfs/dbraw/zinc/10/68/46/1042106846.db2.gz VOGBASIDXILSEV-UHFFFAOYSA-N 1 0 339.414 4.182 20 30 EIEDRO C[N@H+](CCCC1(C#N)CCOCC1)Cc1csc2ccccc12 ZINC000282098921 1042134787 /nfs/dbraw/zinc/13/47/87/1042134787.db2.gz VVARXNIRROQBOB-UHFFFAOYSA-N 1 0 328.481 4.434 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)Cc1ccc(C(=O)OC)cc1 ZINC000302735662 1042138616 /nfs/dbraw/zinc/13/86/16/1042138616.db2.gz DFQOXLMHPYZMNL-UHFFFAOYSA-N 1 0 335.856 4.376 20 30 EIEDRO CC(C)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000438341853 1042145063 /nfs/dbraw/zinc/14/50/63/1042145063.db2.gz PQDBVXMQUQUROS-IBGZPJMESA-N 1 0 336.483 4.332 20 30 EIEDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542015767 1042226496 /nfs/dbraw/zinc/22/64/96/1042226496.db2.gz RYVRCFPRKLCEAZ-CQSZACIVSA-N 1 0 348.368 4.455 20 30 EIEDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542005374 1042227516 /nfs/dbraw/zinc/22/75/16/1042227516.db2.gz IYRVAYHTXXWBKG-SJORKVTESA-N 1 0 349.478 4.133 20 30 EIEDRO N#Cc1ccc2ncc(C[NH+]3CCC(CCc4ccccc4)CC3)n2c1 ZINC000506283518 1042258350 /nfs/dbraw/zinc/25/83/50/1042258350.db2.gz SBMSHLNEZOQANT-UHFFFAOYSA-N 1 0 344.462 4.051 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)C)c(C#N)c1C ZINC000438718636 1042316759 /nfs/dbraw/zinc/31/67/59/1042316759.db2.gz BBPSNTNBOJORHM-GOSISDBHSA-N 1 0 339.439 4.084 20 30 EIEDRO CC[N@H+](CCCCC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000542209182 1042345711 /nfs/dbraw/zinc/34/57/11/1042345711.db2.gz PXCVRUSVOBNLLL-INIZCTEOSA-N 1 0 330.472 4.453 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000542256283 1042361023 /nfs/dbraw/zinc/36/10/23/1042361023.db2.gz WDYUZTIJZLXWQZ-IFXJQAMLSA-N 1 0 328.843 4.272 20 30 EIEDRO CC1=C[C@@H](C)C[C@H](C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000518262619 1042448206 /nfs/dbraw/zinc/44/82/06/1042448206.db2.gz RQRKODPDUIHNPN-CAJUJLTQSA-N 1 0 339.483 4.225 20 30 EIEDRO CC(C)c1nnc(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000426291949 1042524660 /nfs/dbraw/zinc/52/46/60/1042524660.db2.gz CYNVXFMDVCKBCM-QGZVFWFLSA-N 1 0 340.496 4.133 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000492107293 1042557478 /nfs/dbraw/zinc/55/74/78/1042557478.db2.gz OYPKWMPCFDPFSW-IFXJQAMLSA-N 1 0 329.465 4.105 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000173398532 1042569903 /nfs/dbraw/zinc/56/99/03/1042569903.db2.gz KDAFCXKWIDMQQO-CQSZACIVSA-N 1 0 326.406 4.397 20 30 EIEDRO N#Cc1ccc(C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000506552265 1042591205 /nfs/dbraw/zinc/59/12/05/1042591205.db2.gz DWBZOFREFGFETH-HWKANZROSA-N 1 0 333.391 4.144 20 30 EIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271967853 1042591327 /nfs/dbraw/zinc/59/13/27/1042591327.db2.gz VYTGKGLCDKCITM-OLZOCXBDSA-N 1 0 325.387 4.068 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc2c(c1)OCCO2 ZINC000271975866 1042603618 /nfs/dbraw/zinc/60/36/18/1042603618.db2.gz XYCRFIGRCGSVLI-ACJLOTCBSA-N 1 0 340.398 4.270 20 30 EIEDRO C[C@H](c1ccccc1Br)[N@H+](C)CCCSCC#N ZINC000173874391 1042621443 /nfs/dbraw/zinc/62/14/43/1042621443.db2.gz AHKSCTPFFKQFQD-GFCCVEGCSA-N 1 0 327.291 4.089 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000439454536 1042637306 /nfs/dbraw/zinc/63/73/06/1042637306.db2.gz RXYZMNMPCIPLCW-FQEVSTJZSA-N 1 0 340.854 4.084 20 30 EIEDRO Oc1ccc(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000426393660 1042641258 /nfs/dbraw/zinc/64/12/58/1042641258.db2.gz GSRAQTCVMGDXNI-UHFFFAOYSA-N 1 0 325.839 4.277 20 30 EIEDRO Clc1ccc(C#CC[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000426437345 1042701083 /nfs/dbraw/zinc/70/10/83/1042701083.db2.gz WPIDVRNLRNEKKS-FQEVSTJZSA-N 1 0 339.866 4.230 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(Br)c(F)c2)ccc1C#N ZINC000443967643 1042704221 /nfs/dbraw/zinc/70/42/21/1042704221.db2.gz OWBNKOCEUIFJCA-UHFFFAOYSA-N 1 0 333.204 4.058 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)Oc1cc(F)cc(F)c1)c1ccc(C#N)cc1 ZINC000506630443 1042706184 /nfs/dbraw/zinc/70/61/84/1042706184.db2.gz LPSMAQJCLDWMGH-ZDUSSCGKSA-N 1 0 330.378 4.345 20 30 EIEDRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000518817954 1042709689 /nfs/dbraw/zinc/70/96/89/1042709689.db2.gz PWHNOEMFJBQWFR-KEWOFRHOSA-N 1 0 349.453 4.359 20 30 EIEDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000426455781 1042715290 /nfs/dbraw/zinc/71/52/90/1042715290.db2.gz UMRNIRSBPJIIOS-QFIPXVFZSA-N 1 0 334.463 4.210 20 30 EIEDRO Cc1cc(CN[C@H]2COc3c2ccc(Cl)c3Cl)ccc1C#N ZINC000444002297 1042739028 /nfs/dbraw/zinc/73/90/28/1042739028.db2.gz JNCORARYGNOBOR-HNNXBMFYSA-N 1 0 333.218 4.397 20 30 EIEDRO CC(C)c1ccc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000030959025 1042756381 /nfs/dbraw/zinc/75/63/81/1042756381.db2.gz XADQXFUFAKOZBK-UHFFFAOYSA-N 1 0 335.451 4.142 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176493079 1042810089 /nfs/dbraw/zinc/81/00/89/1042810089.db2.gz WADMHOAIDQQNAP-UHFFFAOYSA-N 1 0 335.536 4.171 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000487389964 1042818498 /nfs/dbraw/zinc/81/84/98/1042818498.db2.gz HDONGIPXILLOMR-UHFFFAOYSA-N 1 0 339.361 4.332 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000152463197 1042830157 /nfs/dbraw/zinc/83/01/57/1042830157.db2.gz OBRFLDHORXUZRY-GOSISDBHSA-N 1 0 349.478 4.494 20 30 EIEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000177472825 1042838927 /nfs/dbraw/zinc/83/89/27/1042838927.db2.gz MMQVQIHIIXMFGU-FHWLQOOXSA-N 1 0 349.478 4.104 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](CC)c2ccc(Br)cc2)CC1 ZINC000177913701 1042854431 /nfs/dbraw/zinc/85/44/31/1042854431.db2.gz YLXJDSPZFXNMEY-QGZVFWFLSA-N 1 0 337.305 4.140 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000178276357 1042862702 /nfs/dbraw/zinc/86/27/02/1042862702.db2.gz WMZJCQUFVBEWCB-SFHVURJKSA-N 1 0 334.891 4.102 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000180948093 1042864289 /nfs/dbraw/zinc/86/42/89/1042864289.db2.gz QVEIQBWKKIJNIA-XJKSGUPXSA-N 1 0 326.278 4.471 20 30 EIEDRO CC1(C)CCC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000507772005 1042872129 /nfs/dbraw/zinc/87/21/29/1042872129.db2.gz YHUFYLAXJMGXIQ-LXPRWKDFSA-N 1 0 327.472 4.202 20 30 EIEDRO C=C[C@@H](CC(=O)N1CCC(C[N@@H+](C)CCCC)CC1)c1ccccc1 ZINC000134599708 1042905628 /nfs/dbraw/zinc/90/56/28/1042905628.db2.gz QWROJXCVKFAWJW-FQEVSTJZSA-N 1 0 342.527 4.317 20 30 EIEDRO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]CC#Cc2ccccc2Cl)cc1F ZINC000493917889 1042977839 /nfs/dbraw/zinc/97/78/39/1042977839.db2.gz VSSQITMYVWEZOX-OALUTQOASA-N 1 0 347.792 4.090 20 30 EIEDRO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]CC#Cc2ccccc2Cl)cc1F ZINC000493917890 1042977941 /nfs/dbraw/zinc/97/79/41/1042977941.db2.gz VSSQITMYVWEZOX-RBUKOAKNSA-N 1 0 347.792 4.090 20 30 EIEDRO C=CCN1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000183059350 1043037252 /nfs/dbraw/zinc/03/72/52/1043037252.db2.gz BUSJDVDPCOHAJQ-UHFFFAOYSA-N 1 0 336.479 4.102 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(CCC(C)C)cc2)CC1 ZINC000520745137 1043059540 /nfs/dbraw/zinc/05/95/40/1043059540.db2.gz XGMNKPKQVUBPND-UHFFFAOYSA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCC1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCC1 ZINC001127282190 1043066970 /nfs/dbraw/zinc/06/69/70/1043066970.db2.gz XKZFSYJKNKKCGM-UHFFFAOYSA-N 1 0 326.484 4.400 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc4ncccc4c3)CC2)c1 ZINC000120940531 1043090267 /nfs/dbraw/zinc/09/02/67/1043090267.db2.gz DCZZGUFARUCUMA-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc4occc4c3)CC2)cc1 ZINC000347825652 1043135009 /nfs/dbraw/zinc/13/50/09/1043135009.db2.gz WHYRAXIZGUZMHE-UHFFFAOYSA-N 1 0 332.403 4.348 20 30 EIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(F)cc1C#N ZINC000507897329 1043181701 /nfs/dbraw/zinc/18/17/01/1043181701.db2.gz RWVWBOFDCVKNAR-SFHVURJKSA-N 1 0 347.821 4.083 20 30 EIEDRO Cc1nc(-c2ccc(CC[NH2+][C@H]3CCC[C@H](C#N)C3)s2)cs1 ZINC000185762425 1043218488 /nfs/dbraw/zinc/21/84/88/1043218488.db2.gz AYMNBYOIDBYRBJ-KBPBESRZSA-N 1 0 331.510 4.395 20 30 EIEDRO C[C@@H](C[N@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1)c1ccccc1 ZINC000727427959 1043220945 /nfs/dbraw/zinc/22/09/45/1043220945.db2.gz KYBMAOAULWFFMD-KRWDZBQOSA-N 1 0 330.435 4.115 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185809987 1043222829 /nfs/dbraw/zinc/22/28/29/1043222829.db2.gz FKOQPUFVBKJVSF-LZLYRXPVSA-N 1 0 331.891 4.147 20 30 EIEDRO C=CCC[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000427922041 1043264484 /nfs/dbraw/zinc/26/44/84/1043264484.db2.gz ACGGOUPGNBSYAS-UYAOXDASSA-N 1 0 328.500 4.117 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)c1 ZINC000467432744 1043269471 /nfs/dbraw/zinc/26/94/71/1043269471.db2.gz MUUUVSMRVXEIIT-GOSISDBHSA-N 1 0 346.352 4.276 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000921993783 1043273761 /nfs/dbraw/zinc/27/37/61/1043273761.db2.gz FXRSOLJSUVIEKY-TZIWHRDSSA-N 1 0 338.426 4.324 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1Cl ZINC000533820117 1043296394 /nfs/dbraw/zinc/29/63/94/1043296394.db2.gz SNFVMOBETVQVJV-IBGZPJMESA-N 1 0 342.870 4.181 20 30 EIEDRO C=CC[C@@H]1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 ZINC000625699658 1043355601 /nfs/dbraw/zinc/35/56/01/1043355601.db2.gz CAFPTFICTXJJBG-SNVBAGLBSA-N 1 0 347.673 4.483 20 30 EIEDRO Cc1ccc([C@H](C)[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000438834206 1043388835 /nfs/dbraw/zinc/38/88/35/1043388835.db2.gz RRWVFNLZLVBNDY-KRWDZBQOSA-N 1 0 335.451 4.197 20 30 EIEDRO C=CCC[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000188988246 1043395821 /nfs/dbraw/zinc/39/58/21/1043395821.db2.gz KHYJRTFXAUKSST-OAQYLSRUSA-N 1 0 336.479 4.114 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3Cl)cc1 ZINC000126921922 1043411500 /nfs/dbraw/zinc/41/15/00/1043411500.db2.gz GLSGVKZAHKHAFN-HXUWFJFHSA-N 1 0 339.870 4.467 20 30 EIEDRO N#CCc1ccc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)cc1 ZINC000546381912 1043445136 /nfs/dbraw/zinc/44/51/36/1043445136.db2.gz JOFYPIAHSVLDNW-UHFFFAOYSA-N 1 0 344.418 4.065 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cn(C)nc1C1CCCCC1 ZINC000542485782 1043658137 /nfs/dbraw/zinc/65/81/37/1043658137.db2.gz UHEYSCOBLHRLGE-UHFFFAOYSA-N 1 0 327.472 4.292 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)CC2CCOCC2)cc1 ZINC000171825659 1043684155 /nfs/dbraw/zinc/68/41/55/1043684155.db2.gz GKKRIUPJNWEDGI-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO CC(C)=CCC[C@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000543073047 1043738001 /nfs/dbraw/zinc/73/80/01/1043738001.db2.gz WBLTYMAUZOLUOG-IVMQYODDSA-N 1 0 327.472 4.368 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CCCC[NH+]1CCCC1 ZINC000731349817 1043740352 /nfs/dbraw/zinc/74/03/52/1043740352.db2.gz SNOVYZGKUMALKX-MRXNPFEDSA-N 1 0 345.512 4.285 20 30 EIEDRO Cc1c([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cnn1-c1ccc(F)cc1 ZINC000347691491 1043815150 /nfs/dbraw/zinc/81/51/50/1043815150.db2.gz ZXNRWNBCTMEUCS-HNNXBMFYSA-N 1 0 348.425 4.237 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000191461460 1043819305 /nfs/dbraw/zinc/81/93/05/1043819305.db2.gz MPSJLQULJZLLJE-IBGZPJMESA-N 1 0 343.515 4.342 20 30 EIEDRO Cc1noc(C)c1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905446 1043824504 /nfs/dbraw/zinc/82/45/04/1043824504.db2.gz HUVICBIDODDWER-UHFFFAOYSA-N 1 0 347.418 4.032 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000442825940 1043848596 /nfs/dbraw/zinc/84/85/96/1043848596.db2.gz NKTFKFRMHLMQTO-YSVLISHTSA-N 1 0 327.390 4.116 20 30 EIEDRO COc1ccc(Oc2ccc(CC[NH2+][C@H]3CC[C@H](C#N)C3)cc2)cc1 ZINC000442847679 1043857104 /nfs/dbraw/zinc/85/71/04/1043857104.db2.gz QVTKXDBYDPKCTD-ROUUACIJSA-N 1 0 336.435 4.312 20 30 EIEDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000494622082 1043859536 /nfs/dbraw/zinc/85/95/36/1043859536.db2.gz SQXBIROJBAIBRV-DNVCBOLYSA-N 1 0 347.380 4.423 20 30 EIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(F)cc1OC(F)F ZINC000442866480 1043868758 /nfs/dbraw/zinc/86/87/58/1043868758.db2.gz LTAUQKIPTMKKOH-HIFPTAJRSA-N 1 0 326.362 4.408 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CCCc2cccnc21 ZINC000442854395 1043875225 /nfs/dbraw/zinc/87/52/25/1043875225.db2.gz NVTWVTDWXUDEJS-IBGZPJMESA-N 1 0 335.451 4.251 20 30 EIEDRO CCCCCCC[C@@H](C)CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000732450099 1043921625 /nfs/dbraw/zinc/92/16/25/1043921625.db2.gz NTIBLLROEWOGTH-QGZVFWFLSA-N 1 0 325.541 4.155 20 30 EIEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732986339 1044059442 /nfs/dbraw/zinc/05/94/42/1044059442.db2.gz KVOJLCMCDWKERW-SFHVURJKSA-N 1 0 328.362 4.052 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000732986223 1044059652 /nfs/dbraw/zinc/05/96/52/1044059652.db2.gz IGLWNYMCNFVGHI-LJQANCHMSA-N 1 0 328.362 4.204 20 30 EIEDRO N#Cc1cccc(Cl)c1NCc1ccccc1C[NH+]1CCCC1 ZINC000521918229 1044063331 /nfs/dbraw/zinc/06/33/31/1044063331.db2.gz BKGJZVPODMLFKS-UHFFFAOYSA-N 1 0 325.843 4.420 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(C2CCCC2)n1 ZINC000922191422 1044078296 /nfs/dbraw/zinc/07/82/96/1044078296.db2.gz VHQTTZKPLAKCKT-HXUWFJFHSA-N 1 0 334.467 4.117 20 30 EIEDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1)N(C)C ZINC000443198132 1044087439 /nfs/dbraw/zinc/08/74/39/1044087439.db2.gz BTMOQGQHHZIGLC-ZOCZFRKYSA-N 1 0 339.458 4.348 20 30 EIEDRO C=CC(C)(C)CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC001128974118 1044110934 /nfs/dbraw/zinc/11/09/34/1044110934.db2.gz TZLMYWYXRGKJIR-UHFFFAOYSA-N 1 0 336.479 4.261 20 30 EIEDRO C[C@H]1CN(Cc2ccccc2)CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000323802361 1044139915 /nfs/dbraw/zinc/13/99/15/1044139915.db2.gz JIQYRUGBFUTFMY-LJQANCHMSA-N 1 0 327.516 4.160 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccccc2OCC(C)C)cc1 ZINC000733325443 1044187680 /nfs/dbraw/zinc/18/76/80/1044187680.db2.gz MCRDRBFVKIXIJO-UHFFFAOYSA-N 1 0 337.463 4.413 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000245826310 1044192171 /nfs/dbraw/zinc/19/21/71/1044192171.db2.gz AZBJEJBNTXBGGB-AGRHKRQWSA-N 1 0 326.827 4.392 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000174266376 1044245108 /nfs/dbraw/zinc/24/51/08/1044245108.db2.gz LNKHUQHEMLGHQP-SFHVURJKSA-N 1 0 333.907 4.396 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246363842 1044298635 /nfs/dbraw/zinc/29/86/35/1044298635.db2.gz LOBXDCMLUVXNRD-WSTZPKSXSA-N 1 0 325.500 4.206 20 30 EIEDRO C=CCC[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001127302942 1044307337 /nfs/dbraw/zinc/30/73/37/1044307337.db2.gz VMGDMKJEOGLYBP-YADHBBJMSA-N 1 0 348.490 4.332 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000347969823 1044344764 /nfs/dbraw/zinc/34/47/64/1044344764.db2.gz BVSRPGDKVNOBHL-UHFFFAOYSA-N 1 0 340.430 4.033 20 30 EIEDRO C=CC[C@@H](CC)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000466377974 1044345557 /nfs/dbraw/zinc/34/55/57/1044345557.db2.gz JANSBEDPSNECCQ-GOSISDBHSA-N 1 0 329.488 4.191 20 30 EIEDRO C=CC[C@H](CC)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000466402846 1044394551 /nfs/dbraw/zinc/39/45/51/1044394551.db2.gz AIRAXDBVKFQMMN-HKUYNNGSSA-N 1 0 335.536 4.027 20 30 EIEDRO Oc1ccccc1/C=N\[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903384 1044411293 /nfs/dbraw/zinc/41/12/93/1044411293.db2.gz MMWHHAUEPPCLEB-CMBCABCVSA-N 1 0 348.368 4.104 20 30 EIEDRO Oc1ccccc1/C=N\[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000733903614 1044412306 /nfs/dbraw/zinc/41/23/06/1044412306.db2.gz MMWHHAUEPPCLEB-OYPWENPISA-N 1 0 348.368 4.104 20 30 EIEDRO Cc1ccccc1C[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000494841075 1044428634 /nfs/dbraw/zinc/42/86/34/1044428634.db2.gz YCCMFSFDNGWPOJ-RPCJCACASA-N 1 0 349.478 4.173 20 30 EIEDRO N#Cc1cccc([C@@H]2C[N@H+](CCc3ccc4ccccc4c3)CCO2)c1 ZINC000761756975 1044442593 /nfs/dbraw/zinc/44/25/93/1044442593.db2.gz DRVXFYPEBIVVPC-QHCPKHFHSA-N 1 0 342.442 4.327 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2cnc(-c3cccs3)s2)c1 ZINC000466426052 1044443518 /nfs/dbraw/zinc/44/35/18/1044443518.db2.gz RFUUWCJPXLXXEX-UHFFFAOYSA-N 1 0 325.462 4.076 20 30 EIEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000474096878 1044478270 /nfs/dbraw/zinc/47/82/70/1044478270.db2.gz KLIUEWJOLPZWHF-RISCZKNCSA-N 1 0 327.255 4.043 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1 ZINC000922307832 1044492564 /nfs/dbraw/zinc/49/25/64/1044492564.db2.gz KKLDHLSTLZURMD-RXVVDRJESA-N 1 0 338.426 4.182 20 30 EIEDRO C=C(C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1)c1ccccc1 ZINC000675783204 1044495349 /nfs/dbraw/zinc/49/53/49/1044495349.db2.gz DHSITXDNZLVQRM-GOSISDBHSA-N 1 0 347.462 4.363 20 30 EIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000543394995 1044502402 /nfs/dbraw/zinc/50/24/02/1044502402.db2.gz TUGUAEORTHCEDI-PMACEKPBSA-N 1 0 348.475 4.206 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000914576591 1044523847 /nfs/dbraw/zinc/52/38/47/1044523847.db2.gz WWLJVTRQONEYIQ-UHFFFAOYSA-N 1 0 349.430 4.249 20 30 EIEDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000439321830 1044547235 /nfs/dbraw/zinc/54/72/35/1044547235.db2.gz KQOLDCVAAAXAEY-IEBWSBKVSA-N 1 0 347.462 4.155 20 30 EIEDRO N#Cc1cc(F)ccc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000388283036 1044572821 /nfs/dbraw/zinc/57/28/21/1044572821.db2.gz RQTUNNOQQSQPNB-UHFFFAOYSA-N 1 0 349.453 4.190 20 30 EIEDRO C=C[C@H](C)[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000675934457 1044577454 /nfs/dbraw/zinc/57/74/54/1044577454.db2.gz ZQXCOYCFHXEIQL-QWHCGFSZSA-N 1 0 346.496 4.285 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CCCCC)C(C)(C)C)CC1 ZINC000734531270 1044600415 /nfs/dbraw/zinc/60/04/15/1044600415.db2.gz ZUYVWKXGDLFMJW-GOSISDBHSA-N 1 0 337.552 4.321 20 30 EIEDRO C[C@H]1CC(NCC#Cc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024257 1044605159 /nfs/dbraw/zinc/60/51/59/1044605159.db2.gz CWGJGZIOXQQKFW-PMACEKPBSA-N 1 0 332.491 4.069 20 30 EIEDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCCC1(C#N)CCOCC1 ZINC000499787296 1044639208 /nfs/dbraw/zinc/63/92/08/1044639208.db2.gz TYPVWUCBLRXBGX-RTBURBONSA-N 1 0 336.520 4.050 20 30 EIEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2ccc(C)cc2)c1C ZINC000914693204 1044661262 /nfs/dbraw/zinc/66/12/62/1044661262.db2.gz PBYKNKUVIHLYEM-OAQYLSRUSA-N 1 0 338.499 4.344 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Oc2ccc(F)cc2F)CC1 ZINC000118393521 1044667180 /nfs/dbraw/zinc/66/71/80/1044667180.db2.gz WPKUMHGSXDVBQS-AWEZNQCLSA-N 1 0 342.389 4.441 20 30 EIEDRO CSC1CCC(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000922419535 1044720507 /nfs/dbraw/zinc/72/05/07/1044720507.db2.gz QJYAIJYWMUCMAR-UHFFFAOYSA-N 1 0 331.529 4.048 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)OCc2ccccc2C#N)cc1 ZINC000741334363 1044753824 /nfs/dbraw/zinc/75/38/24/1044753824.db2.gz KQGYJIABRCCIOX-UHFFFAOYSA-N 1 0 336.435 4.147 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CCCc3sccc32)c(-c2ccc(C#N)cc2)n1 ZINC000123712897 1044761421 /nfs/dbraw/zinc/76/14/21/1044761421.db2.gz NKDQMMSGAXOYFM-SFHVURJKSA-N 1 0 348.475 4.187 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000735306573 1044784381 /nfs/dbraw/zinc/78/43/81/1044784381.db2.gz PPTXCLWNAUTDOJ-UHFFFAOYSA-N 1 0 326.827 4.407 20 30 EIEDRO C[N@H+](CCc1cccc(F)c1)Cc1ccc(Br)cc1C#N ZINC001141817036 1044806930 /nfs/dbraw/zinc/80/69/30/1044806930.db2.gz SRDVWRQPYZDOJA-UHFFFAOYSA-N 1 0 347.231 4.134 20 30 EIEDRO CC(C)[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)c1ccccc1 ZINC000428879577 1044814456 /nfs/dbraw/zinc/81/44/56/1044814456.db2.gz HMASMXODXMENPA-SFHVURJKSA-N 1 0 341.499 4.143 20 30 EIEDRO C=CCCC[C@@H]([NH2+]Cc1cccn(C(F)F)c1=O)c1ccccc1 ZINC000895637049 1044835263 /nfs/dbraw/zinc/83/52/63/1044835263.db2.gz CZAIJJNLKNHDAI-QGZVFWFLSA-N 1 0 332.394 4.431 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)o1 ZINC000093838171 1044857481 /nfs/dbraw/zinc/85/74/81/1044857481.db2.gz GIXCHOIEZZQOHX-CQSZACIVSA-N 1 0 330.815 4.096 20 30 EIEDRO COc1ccc(C(=O)CC[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000509260171 1044865072 /nfs/dbraw/zinc/86/50/72/1044865072.db2.gz LNTQZPFJYGIJGM-UHFFFAOYSA-N 1 0 336.435 4.050 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@]3(c4ccccc4)CCCO3)cc2)CC1 ZINC000922962632 1044881276 /nfs/dbraw/zinc/88/12/76/1044881276.db2.gz ISGIOLYIDJLLCG-QFIPXVFZSA-N 1 0 332.447 4.037 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@]2(C)CCOc3ccccc32)cc1OC ZINC000923026571 1044910645 /nfs/dbraw/zinc/91/06/45/1044910645.db2.gz VEPHWZRVQYRADC-NRFANRHFSA-N 1 0 339.435 4.048 20 30 EIEDRO C=CCC1(O)CC[NH+](Cc2ccc(Oc3cccnc3)c(C)c2)CC1 ZINC000895835614 1044928997 /nfs/dbraw/zinc/92/89/97/1044928997.db2.gz IVNJERYOSZIKAL-UHFFFAOYSA-N 1 0 338.451 4.085 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OC(F)F)c1 ZINC000065237880 1044932041 /nfs/dbraw/zinc/93/20/41/1044932041.db2.gz HUNKCJDOCAWTJB-UHFFFAOYSA-N 1 0 328.362 4.348 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCC2CCC(OC)CC2)ccc1OC ZINC000543618423 1044953077 /nfs/dbraw/zinc/95/30/77/1044953077.db2.gz FWIHIYMMYSHHIJ-UHFFFAOYSA-N 1 0 347.499 4.335 20 30 EIEDRO C=CCCCN(C)Cn1nc(C(C)C)n(Cc2ccco2)c1=S ZINC000736582122 1044954927 /nfs/dbraw/zinc/95/49/27/1044954927.db2.gz ILKZEEZRIJTMKM-UHFFFAOYSA-N 1 0 334.489 4.034 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+][C@H](CCC#N)c1ccccc1)CC2 ZINC000280182841 1044968648 /nfs/dbraw/zinc/96/86/48/1044968648.db2.gz RUASNASIQMNPIS-RTBURBONSA-N 1 0 336.435 4.326 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000303282285 1044976215 /nfs/dbraw/zinc/97/62/15/1044976215.db2.gz FPHBUCFBDQEFIV-IBGZPJMESA-N 1 0 343.515 4.114 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000303344123 1044988189 /nfs/dbraw/zinc/98/81/89/1044988189.db2.gz ZLSCFRQDIZEYJR-UHFFFAOYSA-N 1 0 342.527 4.073 20 30 EIEDRO C#CCCC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000766234607 1045041761 /nfs/dbraw/zinc/04/17/61/1045041761.db2.gz YVXYQRHUHQHSNG-LLVKDONJSA-N 1 0 346.780 4.079 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000021918806 1045108532 /nfs/dbraw/zinc/10/85/32/1045108532.db2.gz BOQVYWFETLPURH-UHFFFAOYSA-N 1 0 341.842 4.062 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2cccc(Cl)c2)c(O)c1 ZINC000915115055 1045114919 /nfs/dbraw/zinc/11/49/19/1045114919.db2.gz UOGZLJQNVACBKK-GFIJVFARSA-N 1 0 346.858 4.044 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000509423124 1045146577 /nfs/dbraw/zinc/14/65/77/1045146577.db2.gz DUURHHGLTJPQHZ-GOSISDBHSA-N 1 0 327.399 4.176 20 30 EIEDRO CSc1cc(C)ccc1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000153544302 1045233157 /nfs/dbraw/zinc/23/31/57/1045233157.db2.gz IAHIDVRWODYSLJ-UHFFFAOYSA-N 1 0 339.508 4.357 20 30 EIEDRO CCCCCCCC[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000740876315 1045235646 /nfs/dbraw/zinc/23/56/46/1045235646.db2.gz QNDKFCQHWCKAES-UHFFFAOYSA-N 1 0 334.504 4.451 20 30 EIEDRO CCC[N@H+](Cc1ccc(OCC#N)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000740888616 1045237768 /nfs/dbraw/zinc/23/77/68/1045237768.db2.gz RYVWGKCBTUSZKU-RBUKOAKNSA-N 1 0 330.472 4.005 20 30 EIEDRO C[NH+](C)Cc1cccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c1 ZINC000611094137 1045252138 /nfs/dbraw/zinc/25/21/38/1045252138.db2.gz BKYVKBBWZPETGL-UHFFFAOYSA-N 1 0 348.233 4.179 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1cccc(C#N)c1 ZINC000611193017 1045261427 /nfs/dbraw/zinc/26/14/27/1045261427.db2.gz ODMCFICPMXGIIH-UTKZUKDTSA-N 1 0 333.479 4.262 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000611256333 1045266635 /nfs/dbraw/zinc/26/66/35/1045266635.db2.gz ULXAONYXSWLXCY-MRXNPFEDSA-N 1 0 347.462 4.034 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H]3CCOc4ccccc43)CC2)cc1 ZINC000611287724 1045275347 /nfs/dbraw/zinc/27/53/47/1045275347.db2.gz DTPDJDQKFSWFCF-FQEVSTJZSA-N 1 0 330.431 4.214 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000611287725 1045276429 /nfs/dbraw/zinc/27/64/29/1045276429.db2.gz DTPDJDQKFSWFCF-HXUWFJFHSA-N 1 0 330.431 4.214 20 30 EIEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000611335889 1045280977 /nfs/dbraw/zinc/28/09/77/1045280977.db2.gz LJVZCGSQWIQVOO-KPFYNRIZSA-N 1 0 348.490 4.145 20 30 EIEDRO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000611388460 1045295061 /nfs/dbraw/zinc/29/50/61/1045295061.db2.gz OQYOYOZLOMFFOZ-AWEZNQCLSA-N 1 0 341.842 4.118 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000611387664 1045295694 /nfs/dbraw/zinc/29/56/94/1045295694.db2.gz RQBANOXYOCYACL-OAHLLOKOSA-N 1 0 335.451 4.145 20 30 EIEDRO Cc1cccc(C)c1NC(=O)CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611386738 1045295994 /nfs/dbraw/zinc/29/59/94/1045295994.db2.gz SZBWGRWYGPOMQD-QGZVFWFLSA-N 1 0 335.451 4.245 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccnc1OC1CCCC1 ZINC000611390741 1045296925 /nfs/dbraw/zinc/29/69/25/1045296925.db2.gz RIWJNHXSATYXMU-OAQYLSRUSA-N 1 0 347.462 4.442 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCSCc1ccccc1C#N ZINC000611391716 1045297920 /nfs/dbraw/zinc/29/79/20/1045297920.db2.gz DHOODHMRMJBFPJ-NRFANRHFSA-N 1 0 347.487 4.330 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000611391682 1045297936 /nfs/dbraw/zinc/29/79/36/1045297936.db2.gz VCJKPHXBYNPYIK-GOSISDBHSA-N 1 0 330.435 4.034 20 30 EIEDRO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CCCc4cc(C#N)ccc43)c2c1 ZINC000611392918 1045299671 /nfs/dbraw/zinc/29/96/71/1045299671.db2.gz VMXBFADYMDCIQM-OAQYLSRUSA-N 1 0 345.446 4.258 20 30 EIEDRO C[C@H](N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000611438339 1045308657 /nfs/dbraw/zinc/30/86/57/1045308657.db2.gz YGRLFCOZQWVJRU-AVRDEDQJSA-N 1 0 333.479 4.436 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cnn(Cc2ccccc2)c1 ZINC000272305759 1045411331 /nfs/dbraw/zinc/41/13/31/1045411331.db2.gz SEYCJCPMRFMSIQ-KRWDZBQOSA-N 1 0 342.446 4.143 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](CC(C)(C)CCC#N)C2)C1 ZINC000495796082 1045411490 /nfs/dbraw/zinc/41/14/90/1045411490.db2.gz SMMLLTLMNOYTKL-FQEVSTJZSA-N 1 0 349.519 4.039 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1Cl ZINC000915681779 1045446617 /nfs/dbraw/zinc/44/66/17/1045446617.db2.gz LGCQJZSMYZRIKN-CQSZACIVSA-N 1 0 341.842 4.027 20 30 EIEDRO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)CCC#N ZINC000495944496 1045446827 /nfs/dbraw/zinc/44/68/27/1045446827.db2.gz FPHOGARPPFXONE-JKSUJKDBSA-N 1 0 337.508 4.084 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(SC)ccc1C)C(C)C ZINC000496014693 1045459712 /nfs/dbraw/zinc/45/97/12/1045459712.db2.gz PXYNOFCXPJSKRP-LJQANCHMSA-N 1 0 346.540 4.145 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(F)c(C#N)cc1OC ZINC001211995658 1045626457 /nfs/dbraw/zinc/62/64/57/1045626457.db2.gz IPUMTTUXBGHRFK-UHFFFAOYSA-N 1 0 327.403 4.291 20 30 EIEDRO CCCCCCCOc1cccc(C[N@@H+]2CCCN(C(C)=O)CC2)c1 ZINC000768215836 1045753289 /nfs/dbraw/zinc/75/32/89/1045753289.db2.gz NHLJCZNSNPXBKY-UHFFFAOYSA-N 1 0 346.515 4.090 20 30 EIEDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768404093 1045802663 /nfs/dbraw/zinc/80/26/63/1045802663.db2.gz UWDQAUDVVPFFHI-QUENFVSXSA-N 1 0 346.478 4.156 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000614174228 1045806121 /nfs/dbraw/zinc/80/61/21/1045806121.db2.gz OUYGGVQVKUIBLA-UHFFFAOYSA-N 1 0 334.463 4.283 20 30 EIEDRO CN(C)c1ccc(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000792285935 1045884421 /nfs/dbraw/zinc/88/44/21/1045884421.db2.gz MUCSFDBWJZHJTR-UHFFFAOYSA-N 1 0 337.442 4.143 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cnn1-c1ccccc1 ZINC000792288780 1045884723 /nfs/dbraw/zinc/88/47/23/1045884723.db2.gz NFIMASFYODMXAY-CQSZACIVSA-N 1 0 334.398 4.042 20 30 EIEDRO CC(C)C[N@@H+](Cc1cccc(C#N)c1F)C[C@@H](O)c1ccc(F)cc1 ZINC000769165036 1045889190 /nfs/dbraw/zinc/88/91/90/1045889190.db2.gz XLJKYNSWNRGJEF-LJQANCHMSA-N 1 0 344.405 4.028 20 30 EIEDRO C#CCOc1ccc(C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000769216962 1045895756 /nfs/dbraw/zinc/89/57/56/1045895756.db2.gz GPEPZMGJISGRKF-UHFFFAOYSA-N 1 0 327.468 4.012 20 30 EIEDRO C[C@H]1C[C@@H](C[NH+]2CCC(CCC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000496416292 1045936857 /nfs/dbraw/zinc/93/68/57/1045936857.db2.gz ITMXATRIRDFBEH-WMZOPIPTSA-N 1 0 349.519 4.038 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000769426710 1045957625 /nfs/dbraw/zinc/95/76/25/1045957625.db2.gz HBNOUOSURLMLAJ-INIZCTEOSA-N 1 0 338.426 4.324 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cc1F ZINC000191923835 1045973663 /nfs/dbraw/zinc/97/36/63/1045973663.db2.gz YVFYVZIDSHZESH-UHFFFAOYSA-N 1 0 335.382 4.218 20 30 EIEDRO C[C@H](Cc1ccccc1Cl)n1cc(CC[NH3+])c2cc(C#N)ccc21 ZINC001170255866 1045974574 /nfs/dbraw/zinc/97/45/74/1045974574.db2.gz DJYPUMBMVXUJPH-CQSZACIVSA-N 1 0 337.854 4.471 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC000614993366 1045989680 /nfs/dbraw/zinc/98/96/80/1045989680.db2.gz RCTVNORNEIXEPN-UHFFFAOYSA-N 1 0 347.462 4.310 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2nc(CC)sc21 ZINC000161516073 1046003146 /nfs/dbraw/zinc/00/31/46/1046003146.db2.gz QSYJPZUORSEQPR-HNNXBMFYSA-N 1 0 328.481 4.438 20 30 EIEDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(O)c1 ZINC000769549126 1046016493 /nfs/dbraw/zinc/01/64/93/1046016493.db2.gz NUNRKOHDWJAEKQ-VQTJNVASSA-N 1 0 336.435 4.063 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc3ocnc3c2)CC1 ZINC001170365392 1046017361 /nfs/dbraw/zinc/01/73/61/1046017361.db2.gz XZVUVKRJLCKFJL-UHFFFAOYSA-N 1 0 331.419 4.322 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2c3ccccc3CC[C@@H]2O)CC1 ZINC001170369250 1046018293 /nfs/dbraw/zinc/01/82/93/1046018293.db2.gz UVMMJDDJRKUPMB-XOUFRROXSA-N 1 0 346.474 4.029 20 30 EIEDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000496669645 1046021681 /nfs/dbraw/zinc/02/16/81/1046021681.db2.gz YVYRLXSYIVFNEU-HZPDHXFCSA-N 1 0 337.508 4.084 20 30 EIEDRO CO[C@@H]1CCC[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170386769 1046025281 /nfs/dbraw/zinc/02/52/81/1046025281.db2.gz LRTAMROQTRUBJM-SQVQARRISA-N 1 0 338.495 4.137 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001170389048 1046025404 /nfs/dbraw/zinc/02/54/04/1046025404.db2.gz JVVPANPVZJTIOY-KPQWGBOZSA-N 1 0 331.463 4.275 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001170389465 1046025974 /nfs/dbraw/zinc/02/59/74/1046025974.db2.gz TZQNLWUVVHNCBK-OOMBGRCJSA-N 1 0 346.474 4.464 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@H+]2CCc3cccc(O)c3C2)CC1 ZINC001170395710 1046028721 /nfs/dbraw/zinc/02/87/21/1046028721.db2.gz NBLOPCHWYIGDQO-UHFFFAOYSA-N 1 0 332.447 4.154 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001170394811 1046029364 /nfs/dbraw/zinc/02/93/64/1046029364.db2.gz BBZOKFVETCIDEH-UHFFFAOYSA-N 1 0 338.495 4.426 20 30 EIEDRO CC(C)(Cc1ccccn1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170374108 1046029949 /nfs/dbraw/zinc/02/99/49/1046029949.db2.gz SQMRSZNRSHPXBP-UHFFFAOYSA-N 1 0 333.479 4.396 20 30 EIEDRO COc1cccc2c1OC[C@H]2[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376268 1046034025 /nfs/dbraw/zinc/03/40/25/1046034025.db2.gz NEBUGAPSSIOZPO-IMYXXEESSA-N 1 0 348.446 4.122 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000154051608 1046085366 /nfs/dbraw/zinc/08/53/66/1046085366.db2.gz KUEGEMSNQDFVQV-MSOLQXFVSA-N 1 0 345.446 4.296 20 30 EIEDRO C#C[C@@H](C)[N@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000769962316 1046110644 /nfs/dbraw/zinc/11/06/44/1046110644.db2.gz WZFVQPBLKCDPDM-GFCCVEGCSA-N 1 0 329.856 4.170 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000792984909 1046120355 /nfs/dbraw/zinc/12/03/55/1046120355.db2.gz HPVNARUDRUKHOT-MDZRGWNJSA-N 1 0 340.467 4.498 20 30 EIEDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000497019379 1046168393 /nfs/dbraw/zinc/16/83/93/1046168393.db2.gz SEXHVXVLXOWOMP-DLBZAZTESA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000497019382 1046169165 /nfs/dbraw/zinc/16/91/65/1046169165.db2.gz SEXHVXVLXOWOMP-SJORKVTESA-N 1 0 349.519 4.228 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)s1 ZINC000770289756 1046169069 /nfs/dbraw/zinc/16/90/69/1046169069.db2.gz CHLSNTLVPFCWSD-PXNSSMCTSA-N 1 0 340.492 4.488 20 30 EIEDRO Cc1cc(C[NH2+]C2(c3cccc(Br)c3)CC2)ccc1C#N ZINC000488156569 1046170527 /nfs/dbraw/zinc/17/05/27/1046170527.db2.gz BCEGPAXIZCPGJE-UHFFFAOYSA-N 1 0 341.252 4.408 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C(C3CC3)C3CC3)c2)c1 ZINC000237853262 1046256337 /nfs/dbraw/zinc/25/63/37/1046256337.db2.gz OVHYLAKXRZQDKD-UHFFFAOYSA-N 1 0 332.447 4.415 20 30 EIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(F)c(C#N)c1)CCC2 ZINC000152530883 1046287136 /nfs/dbraw/zinc/28/71/36/1046287136.db2.gz WRQOXTJDCULVQS-INIZCTEOSA-N 1 0 329.444 4.226 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000793566166 1046294781 /nfs/dbraw/zinc/29/47/81/1046294781.db2.gz NGHRAVZGIHNDPC-MJGOQNOKSA-N 1 0 329.488 4.407 20 30 EIEDRO C=C(C)C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000125422439 1046306587 /nfs/dbraw/zinc/30/65/87/1046306587.db2.gz SVJFKPQYBMMAHD-CYBMUJFWSA-N 1 0 328.378 4.321 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000793617850 1046314454 /nfs/dbraw/zinc/31/44/54/1046314454.db2.gz SZEPQWXNVFCWIB-JKSUJKDBSA-N 1 0 326.267 4.267 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000497232407 1046446863 /nfs/dbraw/zinc/44/68/63/1046446863.db2.gz LTODKWCFEDTQBB-RCCFBDPRSA-N 1 0 349.519 4.228 20 30 EIEDRO C=CCSCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459436581 1046646016 /nfs/dbraw/zinc/64/60/16/1046646016.db2.gz XNIMDVMMGOKXCC-UHFFFAOYSA-N 1 0 342.512 4.069 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(C)(C)CCCO)cc1 ZINC000772483859 1046648777 /nfs/dbraw/zinc/64/87/77/1046648777.db2.gz WEWHOHBPDDVVIS-OAHLLOKOSA-N 1 0 325.880 4.267 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(C2CCCCC2)CC1 ZINC000917131512 1046760291 /nfs/dbraw/zinc/76/02/91/1046760291.db2.gz SHJLXBZWHUQUCJ-UHFFFAOYSA-N 1 0 345.512 4.241 20 30 EIEDRO Cc1ccccc1[C@H]([C@@H](C)Nc1nc(Cl)c(C#N)s1)[NH+](C)C ZINC000804847004 1046814023 /nfs/dbraw/zinc/81/40/23/1046814023.db2.gz DDMOYVMJNQNVLJ-RISCZKNCSA-N 1 0 334.876 4.080 20 30 EIEDRO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCCC1CC1 ZINC000925435711 1046820300 /nfs/dbraw/zinc/82/03/00/1046820300.db2.gz ANBUMEYLFGZCIC-MRXNPFEDSA-N 1 0 349.519 4.086 20 30 EIEDRO Cc1ccccc1[C@H]([C@@H](C)Nc1snc(Cl)c1C#N)[NH+](C)C ZINC000804850373 1046825437 /nfs/dbraw/zinc/82/54/37/1046825437.db2.gz WIMCVMZAFNULDL-RISCZKNCSA-N 1 0 334.876 4.080 20 30 EIEDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000459639275 1046828890 /nfs/dbraw/zinc/82/88/90/1046828890.db2.gz KAZOBRCSGHYHIL-CQSZACIVSA-N 1 0 345.393 4.056 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)c(F)c1 ZINC000536855723 1046841721 /nfs/dbraw/zinc/84/17/21/1046841721.db2.gz BKYIEHZFVCOKCS-CQSZACIVSA-N 1 0 344.455 4.290 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000459684499 1046856804 /nfs/dbraw/zinc/85/68/04/1046856804.db2.gz DCPBCWRLPHYQRJ-UHFFFAOYSA-N 1 0 343.858 4.343 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2CCC(C(F)F)CC2)c(C(F)(F)F)c1 ZINC000459722152 1046864683 /nfs/dbraw/zinc/86/46/83/1046864683.db2.gz ZLGHAESFHIROQM-UHFFFAOYSA-N 1 0 332.316 4.491 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000459728843 1046866040 /nfs/dbraw/zinc/86/60/40/1046866040.db2.gz JCMTWLMFCGDEJG-UHFFFAOYSA-N 1 0 333.435 4.167 20 30 EIEDRO C=CCCCCCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000805220847 1046869027 /nfs/dbraw/zinc/86/90/27/1046869027.db2.gz HLIXRZWREHNOKM-UHFFFAOYSA-N 1 0 328.456 4.361 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000459737117 1046875968 /nfs/dbraw/zinc/87/59/68/1046875968.db2.gz VQHVADVHDWMQEB-UHFFFAOYSA-N 1 0 347.203 4.080 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](COC)c2ccc(Cl)cc2)cc1 ZINC000786958765 1046883243 /nfs/dbraw/zinc/88/32/43/1046883243.db2.gz NLLVXEJNFLFVSX-YWZLYKJASA-N 1 0 343.854 4.390 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000536999172 1046891401 /nfs/dbraw/zinc/89/14/01/1046891401.db2.gz AZQPJWAIDUMPIF-SFHVURJKSA-N 1 0 349.316 4.067 20 30 EIEDRO COc1ccc(C[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001170481336 1046894545 /nfs/dbraw/zinc/89/45/45/1046894545.db2.gz SBPWDHHQOMQVBH-HXUWFJFHSA-N 1 0 337.438 4.141 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000537093305 1046944783 /nfs/dbraw/zinc/94/47/83/1046944783.db2.gz HCZAHPXBCMKJIW-TZMCWYRMSA-N 1 0 334.460 4.093 20 30 EIEDRO CC(C)[N@H+](CCCC(C)(C)C#N)c1ccc(N2CCOCC2)cc1 ZINC000746666945 1046975139 /nfs/dbraw/zinc/97/51/39/1046975139.db2.gz SDKYTWFXTKZNNV-UHFFFAOYSA-N 1 0 329.488 4.068 20 30 EIEDRO Cc1cccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)C(C)(C)C)c1 ZINC000537135154 1046977173 /nfs/dbraw/zinc/97/71/73/1046977173.db2.gz JGAPVCHNSPOCSP-LJQANCHMSA-N 1 0 341.499 4.015 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000537141345 1046981493 /nfs/dbraw/zinc/98/14/93/1046981493.db2.gz SHFMNTLQJMIBSC-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO CC[NH+](CC)Cc1cc(C(C)N=Nc2ncccc2Cl)ccc1O ZINC000917549073 1046983455 /nfs/dbraw/zinc/98/34/55/1046983455.db2.gz IDKXHOYWXJZVAV-UHFFFAOYSA-N 1 0 346.862 4.119 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420475 1047002942 /nfs/dbraw/zinc/00/29/42/1047002942.db2.gz HQFWLIYABNZAME-WFASDCNBSA-N 1 0 326.362 4.140 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787416232 1047004988 /nfs/dbraw/zinc/00/49/88/1047004988.db2.gz AGFBLBZXWAMKJU-MRXNPFEDSA-N 1 0 339.405 4.199 20 30 EIEDRO C#CCC[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1F ZINC000760292635 1047057165 /nfs/dbraw/zinc/05/71/65/1047057165.db2.gz SSTJTSPGDOJSMU-QGZVFWFLSA-N 1 0 332.216 4.291 20 30 EIEDRO N#CCCCCCC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000805962977 1047073335 /nfs/dbraw/zinc/07/33/35/1047073335.db2.gz PIASEQOAKBUWJO-LJQANCHMSA-N 1 0 328.456 4.058 20 30 EIEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537292263 1047076423 /nfs/dbraw/zinc/07/64/23/1047076423.db2.gz HHZJJYBZEUGQDK-LAUBAEHRSA-N 1 0 339.527 4.327 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3C[C@H]3C3CCCCC3)CC2)cc1 ZINC000537303519 1047086268 /nfs/dbraw/zinc/08/62/68/1047086268.db2.gz JQERNHLNDPPADT-FCHUYYIVSA-N 1 0 337.511 4.081 20 30 EIEDRO COc1ccc(CC[N@H+](CCC(C)(C)C#N)CC(C)C)cc1OC ZINC000537366748 1047154363 /nfs/dbraw/zinc/15/43/63/1047154363.db2.gz XOHHKBYNIPOXOC-UHFFFAOYSA-N 1 0 332.488 4.144 20 30 EIEDRO COc1cccnc1NCc1cccc(OCc2ccccc2C#N)c1 ZINC000537360732 1047172874 /nfs/dbraw/zinc/17/28/74/1047172874.db2.gz GLGGINAPDKBLSG-UHFFFAOYSA-N 1 0 345.402 4.153 20 30 EIEDRO CCc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)N(C)C)cc1 ZINC000537400957 1047195346 /nfs/dbraw/zinc/19/53/46/1047195346.db2.gz MRIKBNRFBJAQIO-YCRPNKLZSA-N 1 0 339.458 4.213 20 30 EIEDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000788479547 1047199206 /nfs/dbraw/zinc/19/92/06/1047199206.db2.gz VPSHFNXCYNVFCR-ZDUSSCGKSA-N 1 0 327.359 4.189 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000806178201 1047200673 /nfs/dbraw/zinc/20/06/73/1047200673.db2.gz POADKYFWSHRAQE-HOTGVXAUSA-N 1 0 337.508 4.084 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000788532152 1047228741 /nfs/dbraw/zinc/22/87/41/1047228741.db2.gz MAOYLSATJRBUNZ-NRFANRHFSA-N 1 0 348.490 4.095 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@H](O)c1ccccc1 ZINC000788618501 1047250920 /nfs/dbraw/zinc/25/09/20/1047250920.db2.gz ARTPHFBPBAKWKC-PNHOKKKMSA-N 1 0 326.415 4.106 20 30 EIEDRO CC(C)[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H](O)c1ccccc1 ZINC000788627648 1047256053 /nfs/dbraw/zinc/25/60/53/1047256053.db2.gz OPRCLKIGCQDMDQ-FKBYEOEOSA-N 1 0 334.463 4.283 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000788641290 1047257689 /nfs/dbraw/zinc/25/76/89/1047257689.db2.gz CQDWWWZTSZVLTN-JXFKEZNVSA-N 1 0 336.435 4.240 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccsc2)cc1 ZINC000154602976 1047272047 /nfs/dbraw/zinc/27/20/47/1047272047.db2.gz PQENVROYTVKALB-GUYCJALGSA-N 1 0 337.872 4.264 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)cc1 ZINC000154603198 1047275277 /nfs/dbraw/zinc/27/52/77/1047275277.db2.gz PQENVROYTVKALB-SUMWQHHRSA-N 1 0 337.872 4.264 20 30 EIEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000918064501 1047309927 /nfs/dbraw/zinc/30/99/27/1047309927.db2.gz SUXKLTOYSKUNRP-GOSISDBHSA-N 1 0 343.515 4.025 20 30 EIEDRO N#CCCCOc1cccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000325727633 1047311835 /nfs/dbraw/zinc/31/18/35/1047311835.db2.gz ZUTHQLSXKHPJOG-HSALFYBXSA-N 1 0 327.472 4.092 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c1 ZINC000788983171 1047339679 /nfs/dbraw/zinc/33/96/79/1047339679.db2.gz BPBZOOKWULNZNF-RMVXJAJNSA-N 1 0 342.483 4.052 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccc[nH]1 ZINC000760446793 1047373648 /nfs/dbraw/zinc/37/36/48/1047373648.db2.gz WKDSVGOFQIUICM-INIZCTEOSA-N 1 0 331.419 4.316 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N/C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000747362271 1047385369 /nfs/dbraw/zinc/38/53/69/1047385369.db2.gz VPBDTIRTMVARAX-XLTHYULKSA-N 1 0 348.899 4.438 20 30 EIEDRO C=C(Cl)C[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000763430240 1047474635 /nfs/dbraw/zinc/47/46/35/1047474635.db2.gz BVFHJYASBZUMNO-UHFFFAOYSA-N 1 0 333.863 4.156 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccccc2C)C(C)C)CC1 ZINC000069937385 1047513092 /nfs/dbraw/zinc/51/30/92/1047513092.db2.gz JOXOZSFRZUCCBJ-FQEVSTJZSA-N 1 0 343.515 4.032 20 30 EIEDRO C[C@@H]1CC(N=Nc2nccnc2C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000807993702 1047566354 /nfs/dbraw/zinc/56/63/54/1047566354.db2.gz DTIHSVJWFRNVHF-MRXNPFEDSA-N 1 0 349.482 4.197 20 30 EIEDRO CC(C)C[N@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000170984241 1047601989 /nfs/dbraw/zinc/60/19/89/1047601989.db2.gz DASVJGRLEDODQL-INIZCTEOSA-N 1 0 347.528 4.243 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(N(C)C)c2)ccc1OC ZINC000105434407 1047632110 /nfs/dbraw/zinc/63/21/10/1047632110.db2.gz YTKLZNCWEKKDAR-UHFFFAOYSA-N 1 0 340.467 4.006 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cc2ccc(C#N)cc2)cc1 ZINC000194747451 1047666054 /nfs/dbraw/zinc/66/60/54/1047666054.db2.gz BRVWRYJNYBDENA-KRWDZBQOSA-N 1 0 347.462 4.114 20 30 EIEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000460355361 1047666514 /nfs/dbraw/zinc/66/65/14/1047666514.db2.gz WTQHUDPRZJSBEN-SXLOBPIMSA-N 1 0 341.499 4.126 20 30 EIEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000130830237 1047803635 /nfs/dbraw/zinc/80/36/35/1047803635.db2.gz DYKJFNKEAYYNPP-VIFPVBQESA-N 1 0 333.067 4.266 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 ZINC000130846756 1047805776 /nfs/dbraw/zinc/80/57/76/1047805776.db2.gz QXLJMHATUKGSNF-UEXGIBASSA-N 1 0 342.527 4.362 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000824389727 1047865858 /nfs/dbraw/zinc/86/58/58/1047865858.db2.gz RKLFFYKGURNRMI-BLDCVEFLSA-N 1 0 341.282 4.479 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)cc1C#N ZINC000824468882 1047876885 /nfs/dbraw/zinc/87/68/85/1047876885.db2.gz QTDQOTBESMVWTQ-SFHVURJKSA-N 1 0 328.362 4.012 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000808429979 1047940087 /nfs/dbraw/zinc/94/00/87/1047940087.db2.gz ROHUEDOYKQJMNB-UHFFFAOYSA-N 1 0 330.863 4.004 20 30 EIEDRO C#Cc1cccc(C[NH2+]Cc2cc(Cl)c(OC)c(OCC)c2)c1 ZINC000825226811 1048052324 /nfs/dbraw/zinc/05/23/24/1048052324.db2.gz MQMKDKZOWGEADZ-UHFFFAOYSA-N 1 0 329.827 4.018 20 30 EIEDRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001171078637 1048058210 /nfs/dbraw/zinc/05/82/10/1048058210.db2.gz NOCIPTIEKGQSPV-ZDUSSCGKSA-N 1 0 345.512 4.090 20 30 EIEDRO C[C@]1(COC(=O)CCCCCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000805889221 1048062839 /nfs/dbraw/zinc/06/28/39/1048062839.db2.gz AKSGVIHQMQIZEZ-HXUWFJFHSA-N 1 0 328.456 4.058 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000814659148 1048104218 /nfs/dbraw/zinc/10/42/18/1048104218.db2.gz KUBZUZXABNKPTE-RTBURBONSA-N 1 0 328.843 4.398 20 30 EIEDRO FC(F)(F)[C@H]1C=C([NH2+]Nc2ccnc3cc(Cl)ccc32)CCO1 ZINC000814693989 1048135066 /nfs/dbraw/zinc/13/50/66/1048135066.db2.gz QSLXDSSPAIADHI-CQSZACIVSA-N 1 0 343.736 4.397 20 30 EIEDRO N#Cc1cccc(Cl)c1CN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001143719507 1048163273 /nfs/dbraw/zinc/16/32/73/1048163273.db2.gz ZUIPGVBMXWWVGM-UHFFFAOYSA-N 1 0 343.902 4.052 20 30 EIEDRO Cc1cc(N=NC(C)C2CC[NH+](C)CC2)nc2ccc(Cl)cc12 ZINC000814767454 1048163683 /nfs/dbraw/zinc/16/36/83/1048163683.db2.gz JIIQGFJDEOYZSF-UHFFFAOYSA-N 1 0 330.863 4.326 20 30 EIEDRO N#CCc1ccc(Cl)cc1-n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171100096 1048178512 /nfs/dbraw/zinc/17/85/12/1048178512.db2.gz SDSPIJVFVBULFF-OAHLLOKOSA-N 1 0 335.838 4.166 20 30 EIEDRO C[N@H+](CCCc1ccccc1Cl)CCOCc1ccc(C#N)cc1 ZINC001170769833 1048219846 /nfs/dbraw/zinc/21/98/46/1048219846.db2.gz UGUIDCAHDIJKNT-UHFFFAOYSA-N 1 0 342.870 4.293 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)cc1C#N ZINC001170573078 1048252197 /nfs/dbraw/zinc/25/21/97/1048252197.db2.gz QRJRSSFTUBPYPA-HNNXBMFYSA-N 1 0 334.398 4.042 20 30 EIEDRO CC[C@@H](OCC[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000844312078 1048271326 /nfs/dbraw/zinc/27/13/26/1048271326.db2.gz ISEWTEBMAWLCGP-DYESRHJHSA-N 1 0 338.451 4.407 20 30 EIEDRO N#CCOc1ccc(C[NH2+]C2(c3ccccc3Cl)CCC2)cc1 ZINC000844351080 1048300253 /nfs/dbraw/zinc/30/02/53/1048300253.db2.gz LHZAFLZWYDFETI-UHFFFAOYSA-N 1 0 326.827 4.411 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1cc2ccccc2o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000815023515 1048300520 /nfs/dbraw/zinc/30/05/20/1048300520.db2.gz XGCPZAPBGADSPJ-HNAYVOBHSA-N 1 0 334.419 4.421 20 30 EIEDRO C[C@@H](CCSc1ccccc1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366252 1048304908 /nfs/dbraw/zinc/30/49/08/1048304908.db2.gz LQLNECKFKJNBKB-OXJNMPFZSA-N 1 0 340.492 4.094 20 30 EIEDRO CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000556960566 1048321861 /nfs/dbraw/zinc/32/18/61/1048321861.db2.gz VPQMPDXSRYZNNF-WOJBJXKFSA-N 1 0 348.494 4.474 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)c1cc2ccccc2o1)c1ccccc1 ZINC000815123996 1048334720 /nfs/dbraw/zinc/33/47/20/1048334720.db2.gz SYPZAJRCXVDVPB-RBUKOAKNSA-N 1 0 334.419 4.491 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1ccnc(Br)c1)c1ccccc1 ZINC000815123884 1048338938 /nfs/dbraw/zinc/33/89/38/1048338938.db2.gz QVNNNZWPYGNMSR-INIZCTEOSA-N 1 0 344.256 4.369 20 30 EIEDRO C=CC[C@@H](C)C(=O)Nc1cccc2c1C[N@H+](C)C[C@@H]2c1ccccc1 ZINC001144020902 1048368631 /nfs/dbraw/zinc/36/86/31/1048368631.db2.gz JFBZVRVVDPLPIL-VQIMIIECSA-N 1 0 334.463 4.415 20 30 EIEDRO N#Cc1cncc(CN2CCSC[C@H]2c2cccc3ccccc32)c1 ZINC001144086442 1048404309 /nfs/dbraw/zinc/40/43/09/1048404309.db2.gz SNMSRAPUKBDCNE-NRFANRHFSA-N 1 0 345.471 4.397 20 30 EIEDRO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001144084810 1048414002 /nfs/dbraw/zinc/41/40/02/1048414002.db2.gz NQORWEJIRASDOV-QGZVFWFLSA-N 1 0 331.341 4.309 20 30 EIEDRO C=CC[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)c1ccncc1 ZINC000809620255 1048425532 /nfs/dbraw/zinc/42/55/32/1048425532.db2.gz GGRZQBOXKXUHPN-QGZVFWFLSA-N 1 0 347.503 4.324 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)cc1 ZINC000809603044 1048437173 /nfs/dbraw/zinc/43/71/73/1048437173.db2.gz HYTHTRQWMMXWEV-CYBMUJFWSA-N 1 0 344.252 4.290 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC000809703080 1048488328 /nfs/dbraw/zinc/48/83/28/1048488328.db2.gz CPVJMORWVHIAHG-SFHVURJKSA-N 1 0 334.246 4.188 20 30 EIEDRO C#CCSCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815594355 1048527082 /nfs/dbraw/zinc/52/70/82/1048527082.db2.gz MSCQRSLFSXVMQP-LJQANCHMSA-N 1 0 325.477 4.022 20 30 EIEDRO C#CC[C@H]([NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1)c1ccccc1 ZINC000815598955 1048532893 /nfs/dbraw/zinc/53/28/93/1048532893.db2.gz HFPSXPSFWFTOGS-HOJAQTOUSA-N 1 0 327.468 4.243 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)cc1 ZINC000809789763 1048533566 /nfs/dbraw/zinc/53/35/66/1048533566.db2.gz DIRPRBLQBLGUFO-MRXNPFEDSA-N 1 0 336.435 4.151 20 30 EIEDRO CCCCCCCC[N@H+](C)Cc1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC001144279024 1048558582 /nfs/dbraw/zinc/55/85/82/1048558582.db2.gz LSGYBFWCNFHGGG-UHFFFAOYSA-N 1 0 349.471 4.330 20 30 EIEDRO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815636364 1048564972 /nfs/dbraw/zinc/56/49/72/1048564972.db2.gz TYQFOECZRIAVBN-RDTXWAMCSA-N 1 0 338.411 4.263 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000815642853 1048567120 /nfs/dbraw/zinc/56/71/20/1048567120.db2.gz NIBSNHRXBGCVHV-UONOGXRCSA-N 1 0 332.831 4.330 20 30 EIEDRO CCOc1ccc(/C=N/[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(O)c1 ZINC000920174422 1048570788 /nfs/dbraw/zinc/57/07/88/1048570788.db2.gz MAZBELMETRWCPA-ISXIEHEGSA-N 1 0 338.451 4.045 20 30 EIEDRO CC[NH+](CC)CC[C@@H](NC(=O)CC#Cc1ccccc1)c1ccccc1 ZINC001135161582 1048584475 /nfs/dbraw/zinc/58/44/75/1048584475.db2.gz JAWBTPUOZVOPEV-JOCHJYFZSA-N 1 0 348.490 4.018 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc4ccccc4cc3C#N)c2c1 ZINC001171166427 1048601259 /nfs/dbraw/zinc/60/12/59/1048601259.db2.gz VTUCTLIQMRQKNS-HNNXBMFYSA-N 1 0 340.430 4.249 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc(C#N)c4[nH]ccc43)c2c1 ZINC001171168622 1048614362 /nfs/dbraw/zinc/61/43/62/1048614362.db2.gz LHHYDLBUCZNOMJ-AWEZNQCLSA-N 1 0 328.419 4.182 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810132016 1048641068 /nfs/dbraw/zinc/64/10/68/1048641068.db2.gz HWIMFKYAVBFVQV-QGZVFWFLSA-N 1 0 347.462 4.120 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC001171174939 1048643972 /nfs/dbraw/zinc/64/39/72/1048643972.db2.gz GJFKJEMODMGLIQ-CQSZACIVSA-N 1 0 332.369 4.340 20 30 EIEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1[C@@H](CC)CCCCCC ZINC001170598771 1048651583 /nfs/dbraw/zinc/65/15/83/1048651583.db2.gz JKGLEDMBMMYTIE-PKOBYXMFSA-N 1 0 333.520 4.271 20 30 EIEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1[C@@H](CC)CCCCCC ZINC001170598764 1048652144 /nfs/dbraw/zinc/65/21/44/1048652144.db2.gz JKGLEDMBMMYTIE-HKUYNNGSSA-N 1 0 333.520 4.271 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC001171179596 1048652584 /nfs/dbraw/zinc/65/25/84/1048652584.db2.gz UTBGIISYDYOMHT-VGSWGCGISA-N 1 0 327.431 4.263 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001171178713 1048661173 /nfs/dbraw/zinc/66/11/73/1048661173.db2.gz JVNXNYKJFSHASK-OAHLLOKOSA-N 1 0 333.460 4.403 20 30 EIEDRO Cc1ccnc2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc12 ZINC001171181891 1048662537 /nfs/dbraw/zinc/66/25/37/1048662537.db2.gz FELBIAJDBYYROR-UHFFFAOYSA-N 1 0 327.387 4.439 20 30 EIEDRO C#CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000920415758 1048668427 /nfs/dbraw/zinc/66/84/27/1048668427.db2.gz JXAIFZMKVOJKIK-UHFFFAOYSA-N 1 0 346.780 4.031 20 30 EIEDRO Cc1nc(C(F)(F)F)ccc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171182870 1048674250 /nfs/dbraw/zinc/67/42/50/1048674250.db2.gz UMNZVEKZWOTCBD-UHFFFAOYSA-N 1 0 345.324 4.305 20 30 EIEDRO CC(C)c1ncc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000133260330 1048678653 /nfs/dbraw/zinc/67/86/53/1048678653.db2.gz YKTXMUGGMYRMGY-UHFFFAOYSA-N 1 0 338.398 4.427 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC001171189721 1048687715 /nfs/dbraw/zinc/68/77/15/1048687715.db2.gz KHHGLONVLPZHQN-PXAZEXFGSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Br)nc1 ZINC000810221536 1048690234 /nfs/dbraw/zinc/69/02/34/1048690234.db2.gz QMXRVZLUYJKQOQ-RYUDHWBXSA-N 1 0 330.229 4.128 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccnc(Cl)c1)C1CC1 ZINC001171190576 1048693725 /nfs/dbraw/zinc/69/37/25/1048693725.db2.gz WCSXNORCHZVRBJ-BFUOFWGJSA-N 1 0 325.843 4.279 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171193179 1048694905 /nfs/dbraw/zinc/69/49/05/1048694905.db2.gz UQHKJFPWDGBWHJ-AWEZNQCLSA-N 1 0 343.268 4.350 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(CC2CCC2)CCOCC1 ZINC001171198171 1048722217 /nfs/dbraw/zinc/72/22/17/1048722217.db2.gz IFNMLFUKPVNPIB-KRWDZBQOSA-N 1 0 326.484 4.066 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1cncc(Cl)c1)C1CC1 ZINC001171197999 1048729156 /nfs/dbraw/zinc/72/91/56/1048729156.db2.gz GSZPWYOFXFGLTA-YJYMSZOUSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(Cc2ccccc2)CCOCC1 ZINC001171198161 1048729178 /nfs/dbraw/zinc/72/91/78/1048729178.db2.gz HVNLGTHQTLOEEE-LJQANCHMSA-N 1 0 348.490 4.118 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC3(CC2)OCc2cc(Cl)ccc23)cc1 ZINC001144578515 1048731467 /nfs/dbraw/zinc/73/14/67/1048731467.db2.gz FIWWCSHRLVQNPA-UHFFFAOYSA-N 1 0 337.850 4.343 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)cccc1Br ZINC001171202256 1048759657 /nfs/dbraw/zinc/75/96/57/1048759657.db2.gz YMSYTNHAKLTPNX-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO Cc1cc(C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)ccc1C(F)(F)F ZINC000846006332 1048784449 /nfs/dbraw/zinc/78/44/49/1048784449.db2.gz IFJVAXJJZXKUHI-GOSISDBHSA-N 1 0 348.368 4.051 20 30 EIEDRO CC[C@@H](OCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 ZINC000846021042 1048788597 /nfs/dbraw/zinc/78/85/97/1048788597.db2.gz UJDXDZLFSOFWRG-LAUBAEHRSA-N 1 0 338.451 4.235 20 30 EIEDRO COc1ccccc1CC1CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171208494 1048804956 /nfs/dbraw/zinc/80/49/56/1048804956.db2.gz CAIWOFKLISUOCS-GOSISDBHSA-N 1 0 348.490 4.453 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)cc1C#N ZINC000846051550 1048806661 /nfs/dbraw/zinc/80/66/61/1048806661.db2.gz FPMWSOCEFRZYRH-QGZVFWFLSA-N 1 0 340.398 4.098 20 30 EIEDRO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC001144717123 1048817664 /nfs/dbraw/zinc/81/76/64/1048817664.db2.gz ANLKEMVVKMOKHZ-IBGZPJMESA-N 1 0 331.419 4.083 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N\[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000920945225 1048819071 /nfs/dbraw/zinc/81/90/71/1048819071.db2.gz SSRFWDOHUCAAOO-CSMVZQPBSA-N 1 0 330.431 4.239 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000218034695 1048837232 /nfs/dbraw/zinc/83/72/32/1048837232.db2.gz ZSEZFNQRSCHRJM-RHSMWYFYSA-N 1 0 347.890 4.112 20 30 EIEDRO C=CCCC[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001135654629 1048848391 /nfs/dbraw/zinc/84/83/91/1048848391.db2.gz XNKCLHLVYJGKAR-FQEVSTJZSA-N 1 0 328.500 4.116 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001171220977 1048856278 /nfs/dbraw/zinc/85/62/78/1048856278.db2.gz GOSJBJHMWBNGQH-INIZCTEOSA-N 1 0 338.426 4.172 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001171228357 1048865727 /nfs/dbraw/zinc/86/57/27/1048865727.db2.gz FWEWYDIZQRDXII-QGZVFWFLSA-N 1 0 329.447 4.241 20 30 EIEDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171231955 1048871033 /nfs/dbraw/zinc/87/10/33/1048871033.db2.gz OQQNDIZUNJIAED-IIBYNOLFSA-N 1 0 348.446 4.113 20 30 EIEDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171231953 1048871471 /nfs/dbraw/zinc/87/14/71/1048871471.db2.gz OQQNDIZUNJIAED-HRAATJIYSA-N 1 0 348.446 4.113 20 30 EIEDRO COC(=O)c1cccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171233003 1048872251 /nfs/dbraw/zinc/87/22/51/1048872251.db2.gz YPSYNCIYJXPIHA-HRAATJIYSA-N 1 0 348.446 4.113 20 30 EIEDRO CCCCCCCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000772949817 1048887843 /nfs/dbraw/zinc/88/78/43/1048887843.db2.gz VFQKFEONDFAHRW-AWEZNQCLSA-N 1 0 329.481 4.240 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2c3ccccc3C[C@H]2C)cc(OC)c1OC ZINC000772951334 1048889441 /nfs/dbraw/zinc/88/94/41/1048889441.db2.gz CRJYOWVCRWCYAL-QVKFZJNVSA-N 1 0 337.463 4.455 20 30 EIEDRO O[C@H](C[C@@H]1CCCCC[N@@H+]1CC#Cc1ccc(F)cc1)c1ccco1 ZINC000747660869 1048899705 /nfs/dbraw/zinc/89/97/05/1048899705.db2.gz WGISLZMUVFTUKR-VQTJNVASSA-N 1 0 341.426 4.139 20 30 EIEDRO C=CCCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000076734678 1048934129 /nfs/dbraw/zinc/93/41/29/1048934129.db2.gz GMQDRELAZYRXOG-UHFFFAOYSA-N 1 0 334.769 4.195 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C[C@H](O)c3ccc(F)cc3Cl)CCC2)cc1 ZINC000847058966 1048989462 /nfs/dbraw/zinc/98/94/62/1048989462.db2.gz NVKXYOIQINSBAJ-SFHVURJKSA-N 1 0 344.817 4.053 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCOc3c(CC)cccc32)cc1 ZINC000772960047 1048996893 /nfs/dbraw/zinc/99/68/93/1048996893.db2.gz QFZVJKHFLDTZJX-KKSFZXQISA-N 1 0 335.447 4.435 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2OC)cc1C#N ZINC000817581123 1049011517 /nfs/dbraw/zinc/01/15/17/1049011517.db2.gz NIDWZPNRYLJJKC-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO CCOc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001171275533 1049011641 /nfs/dbraw/zinc/01/16/41/1049011641.db2.gz XIQMGILOFUZKEC-UHFFFAOYSA-N 1 0 335.451 4.056 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccncc2Cl)c1 ZINC000817581034 1049012105 /nfs/dbraw/zinc/01/21/05/1049012105.db2.gz MQOYFAQACVISID-ZFWWWQNUSA-N 1 0 329.831 4.267 20 30 EIEDRO N#CC1(Nc2ccc3c(c2)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC001171277423 1049025919 /nfs/dbraw/zinc/02/59/19/1049025919.db2.gz SAXHTOBXUIPJFX-UHFFFAOYSA-N 1 0 331.463 4.146 20 30 EIEDRO N#CC1(Nc2cccc3[nH]cc(F)c32)CC[NH+](Cc2ccccc2)CC1 ZINC001171277751 1049030687 /nfs/dbraw/zinc/03/06/87/1049030687.db2.gz PTNAWPXDRGDUSE-UHFFFAOYSA-N 1 0 348.425 4.277 20 30 EIEDRO CCCC[N@H+](CCC#N)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170878664 1049041716 /nfs/dbraw/zinc/04/17/16/1049041716.db2.gz LOTGFFDYHYFLDW-QGZVFWFLSA-N 1 0 335.289 4.322 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\CCCOC2CCCCC2)c(O)c1 ZINC000747713208 1049058295 /nfs/dbraw/zinc/05/82/95/1049058295.db2.gz QIVFGOJAECBZGY-PGMHBOJBSA-N 1 0 332.488 4.397 20 30 EIEDRO CC(C)C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000811482481 1049078875 /nfs/dbraw/zinc/07/88/75/1049078875.db2.gz YAFLPLPVWAFHME-CRAIPNDOSA-N 1 0 345.487 4.148 20 30 EIEDRO N#Cc1ccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1Cl ZINC000609495103 1049087968 /nfs/dbraw/zinc/08/79/68/1049087968.db2.gz SPEWUTZZDFYBQM-DAXSKMNVSA-N 1 0 337.854 4.047 20 30 EIEDRO CCCN(Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(C[NH3+])cc1 ZINC000811496145 1049090149 /nfs/dbraw/zinc/09/01/49/1049090149.db2.gz RGMMVXSSJVARSR-UHFFFAOYSA-N 1 0 347.384 4.452 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001171297942 1049097241 /nfs/dbraw/zinc/09/72/41/1049097241.db2.gz QPXUSBFTEGFZLV-FUHWJXTLSA-N 1 0 327.472 4.033 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000811480978 1049097851 /nfs/dbraw/zinc/09/78/51/1049097851.db2.gz LITPQCCPHFFOKK-QGZVFWFLSA-N 1 0 346.833 4.492 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001171297944 1049098191 /nfs/dbraw/zinc/09/81/91/1049098191.db2.gz QPXUSBFTEGFZLV-SJLPKXTDSA-N 1 0 327.472 4.033 20 30 EIEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000135345654 1049127497 /nfs/dbraw/zinc/12/74/97/1049127497.db2.gz WRAYENQMRQUXJY-WBVHZDCISA-N 1 0 345.512 4.141 20 30 EIEDRO C=CCCCCCCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000811590236 1049151947 /nfs/dbraw/zinc/15/19/47/1049151947.db2.gz UXDVEYLJJMSXCB-UHFFFAOYSA-N 1 0 343.515 4.249 20 30 EIEDRO N#Cc1ccccc1/C=C\C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001132951905 1049213321 /nfs/dbraw/zinc/21/33/21/1049213321.db2.gz CQMQWQZRZIPVBF-RAXLEYEMSA-N 1 0 345.446 4.196 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000772988559 1049284460 /nfs/dbraw/zinc/28/44/60/1049284460.db2.gz RNUKBTHYRHBYBC-IBGZPJMESA-N 1 0 338.407 4.238 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+]C2CCC(c3ccc(F)cc3)CC2)cc1 ZINC000819218723 1049284849 /nfs/dbraw/zinc/28/48/49/1049284849.db2.gz JXSZQUKBRBTLEL-JITJBCMDSA-N 1 0 338.426 4.047 20 30 EIEDRO C=CC[NH+](CC=C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000609739594 1049305039 /nfs/dbraw/zinc/30/50/39/1049305039.db2.gz WPFOXUDSFDIOET-UHFFFAOYSA-N 1 0 348.446 4.320 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000819362945 1049309470 /nfs/dbraw/zinc/30/94/70/1049309470.db2.gz ZNEGYKJEDNFNOT-MISYRCLQSA-N 1 0 340.854 4.171 20 30 EIEDRO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000609772197 1049311933 /nfs/dbraw/zinc/31/19/33/1049311933.db2.gz ZEGLMLZWDCJUCV-SFHVURJKSA-N 1 0 347.890 4.097 20 30 EIEDRO C=CCCCCCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000811887534 1049314618 /nfs/dbraw/zinc/31/46/18/1049314618.db2.gz BOAKTIIXIXCLPS-UHFFFAOYSA-N 1 0 335.536 4.219 20 30 EIEDRO C=C[C@H](CC)CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001136252074 1049357686 /nfs/dbraw/zinc/35/76/86/1049357686.db2.gz AAKUTWMAAASHTI-CEXWTWQISA-N 1 0 342.527 4.383 20 30 EIEDRO N#Cc1cccc(NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)n1 ZINC000609893347 1049385725 /nfs/dbraw/zinc/38/57/25/1049385725.db2.gz HCIXEKADUXLYDD-SFHVURJKSA-N 1 0 340.858 4.073 20 30 EIEDRO C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001133257027 1049436475 /nfs/dbraw/zinc/43/64/75/1049436475.db2.gz IFJYMKBZRXOBLA-QUCCMNQESA-N 1 0 328.500 4.102 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000348203393 1049494051 /nfs/dbraw/zinc/49/40/51/1049494051.db2.gz CTDUNRYYWGJZLK-LPHOPBHVSA-N 1 0 328.843 4.028 20 30 EIEDRO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030562 1049540994 /nfs/dbraw/zinc/54/09/94/1049540994.db2.gz SSGUJKKGFIPRRH-CYBMUJFWSA-N 1 0 348.368 4.410 20 30 EIEDRO C=CCC[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136920032 1049551523 /nfs/dbraw/zinc/55/15/23/1049551523.db2.gz BGFACTOMZMTIDF-UHFFFAOYSA-N 1 0 326.406 4.178 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)cc1C#N ZINC000773074624 1049564994 /nfs/dbraw/zinc/56/49/94/1049564994.db2.gz GWYHCIAPWKZECV-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO C#C[C@H]([NH2+]Cc1cc(Br)cc(C)c1O)c1ccc(F)cc1 ZINC000812792593 1049573345 /nfs/dbraw/zinc/57/33/45/1049573345.db2.gz CKFSQLFNQSHBHA-INIZCTEOSA-N 1 0 348.215 4.066 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1 ZINC000773106124 1049583617 /nfs/dbraw/zinc/58/36/17/1049583617.db2.gz KFQNHKOELOOTNR-KSSFIOAISA-N 1 0 327.399 4.258 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000773104893 1049584162 /nfs/dbraw/zinc/58/41/62/1049584162.db2.gz GQVLRLJFDTWMFY-BEFAXECRSA-N 1 0 332.447 4.332 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccccc1CC)c1ccccc1 ZINC000773106681 1049586250 /nfs/dbraw/zinc/58/62/50/1049586250.db2.gz LLRUDKHSIAIMQD-YLJYHZDGSA-N 1 0 334.463 4.320 20 30 EIEDRO C#CC[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)c1ccccc1 ZINC000773117863 1049587794 /nfs/dbraw/zinc/58/77/94/1049587794.db2.gz XQCFRJCTTWELPM-QHCPKHFHSA-N 1 0 347.506 4.076 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000821022988 1049590342 /nfs/dbraw/zinc/59/03/42/1049590342.db2.gz WWVXOQUXAWBYCY-VQHVLOKHSA-N 1 0 344.798 4.206 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000812791937 1049590659 /nfs/dbraw/zinc/59/06/59/1049590659.db2.gz DURBEAPTATXNKQ-KHYOSLBOSA-N 1 0 341.426 4.299 20 30 EIEDRO C[C@H](C#N)Oc1ccc(CNc2cccc(CC[NH+]3CCCC3)c2)cc1 ZINC000179435489 1049599623 /nfs/dbraw/zinc/59/96/23/1049599623.db2.gz SJSPUDWETWCXPI-GOSISDBHSA-N 1 0 349.478 4.228 20 30 EIEDRO CC[N@H+](CC#Cc1cccc(Cl)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849958 1049612068 /nfs/dbraw/zinc/61/20/68/1049612068.db2.gz RZJSQEHQRZEJMT-UZLBHIALSA-N 1 0 327.855 4.136 20 30 EIEDRO CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853332 1049615785 /nfs/dbraw/zinc/61/57/85/1049615785.db2.gz DANIBDFGYIEYEC-UZLBHIALSA-N 1 0 327.855 4.136 20 30 EIEDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237568998 1049616192 /nfs/dbraw/zinc/61/61/92/1049616192.db2.gz SZCDNNRCACEREB-MRXNPFEDSA-N 1 0 326.415 4.229 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCSCc2ccccc2F)cc1 ZINC000237571288 1049618452 /nfs/dbraw/zinc/61/84/52/1049618452.db2.gz FJLHQJCTOLXZQG-OAHLLOKOSA-N 1 0 344.455 4.140 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000237604823 1049659321 /nfs/dbraw/zinc/65/93/21/1049659321.db2.gz JIBKYYPMMYZWJN-FZKQIMNGSA-N 1 0 342.439 4.443 20 30 EIEDRO N#CCCn1cc(C(=O)CN2CCC[C@H]3CCC[C@H]32)c2ccccc21 ZINC000245409895 1049709015 /nfs/dbraw/zinc/70/90/15/1049709015.db2.gz OLTZURGVJOKTAR-VQIMIIECSA-N 1 0 335.451 4.002 20 30 EIEDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001171458134 1049711203 /nfs/dbraw/zinc/71/12/03/1049711203.db2.gz NMOMGRZJBIAGAT-UYAOXDASSA-N 1 0 326.484 4.475 20 30 EIEDRO CC[N@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171602885 1049765451 /nfs/dbraw/zinc/76/54/51/1049765451.db2.gz AFIGXWIRBHOSJA-CVEARBPZSA-N 1 0 337.508 4.036 20 30 EIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2cccc3ccnn32)cc1 ZINC001170708291 1049790001 /nfs/dbraw/zinc/79/00/01/1049790001.db2.gz SVCJDYFOMBJIKV-OAQYLSRUSA-N 1 0 332.451 4.269 20 30 EIEDRO C[C@@]1(c2cccc(F)c2)CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC001171771993 1049793679 /nfs/dbraw/zinc/79/36/79/1049793679.db2.gz LCSMNIJSJXXAMX-OAQYLSRUSA-N 1 0 338.426 4.130 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CCCC3)CC2)c(C#N)c1C ZINC001171917251 1049819589 /nfs/dbraw/zinc/81/95/89/1049819589.db2.gz VJTGTNUVZALAHA-OAHLLOKOSA-N 1 0 343.471 4.141 20 30 EIEDRO N#Cc1ccc(F)c(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)c1 ZINC000813858840 1049823840 /nfs/dbraw/zinc/82/38/40/1049823840.db2.gz CMEWEONWTHCUJZ-QRWLVFNGSA-N 1 0 342.389 4.094 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOc1ccccc1C#N ZINC001171961188 1049824212 /nfs/dbraw/zinc/82/42/12/1049824212.db2.gz ROIHKGPSHHLPRD-CQSZACIVSA-N 1 0 348.368 4.177 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000813877863 1049829885 /nfs/dbraw/zinc/82/98/85/1049829885.db2.gz GDOJGJALGSABHK-BBWFWOEESA-N 1 0 336.520 4.499 20 30 EIEDRO CC1(C)C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CCN1Cc1ccccc1 ZINC001171989149 1049831551 /nfs/dbraw/zinc/83/15/51/1049831551.db2.gz YTVLDBAZAQGIMU-BURNTYAHSA-N 1 0 337.511 4.196 20 30 EIEDRO CC1(C)C[C@H](NCc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001171972087 1049834952 /nfs/dbraw/zinc/83/49/52/1049834952.db2.gz NTJGGHWLDCHXFX-OAQYLSRUSA-N 1 0 333.479 4.091 20 30 EIEDRO CC1(C)C[C@H](NCc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC001171982487 1049838904 /nfs/dbraw/zinc/83/89/04/1049838904.db2.gz JAJFRXQDGKFMKA-QGZVFWFLSA-N 1 0 339.508 4.153 20 30 EIEDRO CN(Cc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171987151 1049840424 /nfs/dbraw/zinc/84/04/24/1049840424.db2.gz PTOWCRROITUNQD-JOCHJYFZSA-N 1 0 347.506 4.433 20 30 EIEDRO CCC[C@@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172071510 1049842918 /nfs/dbraw/zinc/84/29/18/1049842918.db2.gz XGPCYWWDTDBPJF-BURNTYAHSA-N 1 0 325.500 4.244 20 30 EIEDRO CCC(C#N)(CC)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067084 1049851803 /nfs/dbraw/zinc/85/18/03/1049851803.db2.gz FEPCLNUWQQPFMH-ACDBMABISA-N 1 0 325.500 4.244 20 30 EIEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N(CCC#N)Cc1ccc(Cl)cc1)C2 ZINC001172128208 1049852596 /nfs/dbraw/zinc/85/25/96/1049852596.db2.gz PXQFHPJRYURZGS-REPLKXPHSA-N 1 0 331.891 4.071 20 30 EIEDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000616126438 1049854084 /nfs/dbraw/zinc/85/40/84/1049854084.db2.gz ZYWFPPSYCWMDCQ-OAQYLSRUSA-N 1 0 336.479 4.177 20 30 EIEDRO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000180164960 1049855325 /nfs/dbraw/zinc/85/53/25/1049855325.db2.gz YKFGPIMQLJGQCT-JKSUJKDBSA-N 1 0 348.450 4.370 20 30 EIEDRO C[NH+](C)CCOc1ccc(NC2CCC(C)(C#N)CC2)cc1Cl ZINC000823538184 1049855582 /nfs/dbraw/zinc/85/55/82/1049855582.db2.gz OEEUPPOARRINFT-UHFFFAOYSA-N 1 0 335.879 4.165 20 30 EIEDRO C#C[C@](C)(CC)[NH2+]C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172216174 1049866367 /nfs/dbraw/zinc/86/63/67/1049866367.db2.gz YZJJBMHQUYOQFT-SKINQDTJSA-N 1 0 347.886 4.085 20 30 EIEDRO COc1ccccc1CC(C)(C)C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300643 1049873241 /nfs/dbraw/zinc/87/32/41/1049873241.db2.gz ZIDDMRQXFHBCLU-KRWDZBQOSA-N 1 0 336.479 4.356 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)ccc1Br ZINC001172303107 1049873811 /nfs/dbraw/zinc/87/38/11/1049873811.db2.gz VMOODZXWRLRGMS-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO CC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001172308509 1049874576 /nfs/dbraw/zinc/87/45/76/1049874576.db2.gz KWLONSJADIWGJR-ROUUACIJSA-N 1 0 336.479 4.451 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC001172310003 1049874613 /nfs/dbraw/zinc/87/46/13/1049874613.db2.gz ZFOAQLDOJNJPBH-MBSDFSHPSA-N 1 0 341.458 4.396 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001172309768 1049874797 /nfs/dbraw/zinc/87/47/97/1049874797.db2.gz WVZRLVKAPPZJOY-MRXNPFEDSA-N 1 0 344.462 4.179 20 30 EIEDRO COc1ccccc1CC1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172314004 1049875570 /nfs/dbraw/zinc/87/55/70/1049875570.db2.gz HPSOPUROUNBIDZ-GOSISDBHSA-N 1 0 348.490 4.453 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001172319066 1049876375 /nfs/dbraw/zinc/87/63/75/1049876375.db2.gz KNHDAKDXGVWLDD-SFHVURJKSA-N 1 0 343.474 4.316 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001172319366 1049877535 /nfs/dbraw/zinc/87/75/35/1049877535.db2.gz NLDIXOHZWCQAGZ-IUKKYPGJSA-N 1 0 348.490 4.495 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(F)c(F)c(F)c21)c1ccc(OCC#N)cc1 ZINC000823830881 1049878733 /nfs/dbraw/zinc/87/87/33/1049878733.db2.gz ICVAGYJNJLPUJU-BZNIZROVSA-N 1 0 346.352 4.344 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001172290989 1049881057 /nfs/dbraw/zinc/88/10/57/1049881057.db2.gz UUSWKWUBWACVID-ZDUSSCGKSA-N 1 0 334.341 4.178 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2csc(C)c2)ccc1OC ZINC000823847296 1049881338 /nfs/dbraw/zinc/88/13/38/1049881338.db2.gz KUYAKZHALVGCOL-MRXNPFEDSA-N 1 0 330.453 4.036 20 30 EIEDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)Cc3ccc(C#N)cc3)cc2)n1 ZINC001172295160 1049881562 /nfs/dbraw/zinc/88/15/62/1049881562.db2.gz PSQYSNQKUCZOQT-INIZCTEOSA-N 1 0 344.462 4.082 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172298273 1049882750 /nfs/dbraw/zinc/88/27/50/1049882750.db2.gz VNJWFHZXTKOFRT-AWEZNQCLSA-N 1 0 343.268 4.350 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(OCC2CCC2)c1 ZINC001172297982 1049882766 /nfs/dbraw/zinc/88/27/66/1049882766.db2.gz SMGRKHPAEIQBIW-KRWDZBQOSA-N 1 0 334.463 4.458 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172298276 1049882911 /nfs/dbraw/zinc/88/29/11/1049882911.db2.gz VNJWFHZXTKOFRT-CQSZACIVSA-N 1 0 343.268 4.350 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)cc1Br ZINC001172298059 1049882915 /nfs/dbraw/zinc/88/29/15/1049882915.db2.gz UNZBUSACSGNLGF-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO COc1ccccc1CC1(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172299382 1049883088 /nfs/dbraw/zinc/88/30/88/1049883088.db2.gz JZFVYKDDNLKZEQ-KRWDZBQOSA-N 1 0 334.463 4.110 20 30 EIEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CCO1 ZINC000823904321 1049884256 /nfs/dbraw/zinc/88/42/56/1049884256.db2.gz BNXBTELFGBMOCR-DLBZAZTESA-N 1 0 326.465 4.334 20 30 EIEDRO C#CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000823949190 1049886407 /nfs/dbraw/zinc/88/64/07/1049886407.db2.gz CGSNTXXJGCAMLK-RTBURBONSA-N 1 0 342.483 4.130 20 30 EIEDRO CCCCCCC[C@H](CC)N(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC001172345559 1049890462 /nfs/dbraw/zinc/89/04/62/1049890462.db2.gz AANNQKYAJYUIGO-KRWDZBQOSA-N 1 0 340.533 4.050 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1cc(OC2CCOCC2)ncn1 ZINC001172351063 1049892261 /nfs/dbraw/zinc/89/22/61/1049892261.db2.gz RRHZHVLZDRIARL-KRWDZBQOSA-N 1 0 349.519 4.263 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC001172352088 1049892368 /nfs/dbraw/zinc/89/23/68/1049892368.db2.gz YOYKGSQVKFMJJH-IBGZPJMESA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]CCc1cccc(S(C)(=O)=O)c1 ZINC001172351054 1049892405 /nfs/dbraw/zinc/89/24/05/1049892405.db2.gz RNAJKVVLFPLAPT-SFHVURJKSA-N 1 0 339.545 4.361 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@@H+]1CCCn2nnc(COCC)c2C1 ZINC001172354101 1049893091 /nfs/dbraw/zinc/89/30/91/1049893091.db2.gz FGYJHBQCZCYNJU-QGZVFWFLSA-N 1 0 336.524 4.159 20 30 EIEDRO C=C[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)c1ccccc1 ZINC001136812372 1049894708 /nfs/dbraw/zinc/89/47/08/1049894708.db2.gz CYDKLVVAWDBKCF-ZJOUEHCJSA-N 1 0 340.511 4.069 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC001172361948 1049896133 /nfs/dbraw/zinc/89/61/33/1049896133.db2.gz PSORCQZTLWMLKO-HXUWFJFHSA-N 1 0 345.531 4.415 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001172478004 1049910456 /nfs/dbraw/zinc/91/04/56/1049910456.db2.gz AUAKFBTXEKCILM-GOSISDBHSA-N 1 0 333.479 4.132 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C[C@@H](c1ccc(Cl)cc1Cl)N(C)C ZINC001172485554 1049910883 /nfs/dbraw/zinc/91/08/83/1049910883.db2.gz RCTAIGWJLLYMMK-WBMJQRKESA-N 1 0 328.287 4.268 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CCOc2ccc(OC(F)(F)F)cc21 ZINC001172487458 1049911482 /nfs/dbraw/zinc/91/14/82/1049911482.db2.gz BGYVOSONXYPYAO-SMDDNHRTSA-N 1 0 328.334 4.081 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc2ncc(Br)cc2c1 ZINC001172486001 1049911555 /nfs/dbraw/zinc/91/15/55/1049911555.db2.gz XAXAMKINZKFXCF-LBPRGKRZSA-N 1 0 332.245 4.169 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccc(CN(C)C(=O)OC(C)(C)C)c1 ZINC001172484477 1049911626 /nfs/dbraw/zinc/91/16/26/1049911626.db2.gz FFJNHIWJCZVOOU-INIZCTEOSA-N 1 0 345.487 4.225 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC001172490628 1049920622 /nfs/dbraw/zinc/92/06/22/1049920622.db2.gz JGAQMXVDNPAIIR-UZLBHIALSA-N 1 0 332.451 4.335 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001172493787 1049921337 /nfs/dbraw/zinc/92/13/37/1049921337.db2.gz CYGQRPFKGIIINZ-HKUYNNGSSA-N 1 0 347.453 4.306 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001172496310 1049922287 /nfs/dbraw/zinc/92/22/87/1049922287.db2.gz LYFDZOMGWDACOJ-FXAWDEMLSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)C2=CCCC[C@H]21 ZINC001172500839 1049922597 /nfs/dbraw/zinc/92/25/97/1049922597.db2.gz AXFLRJBYRWFVKS-HZPDHXFCSA-N 1 0 333.476 4.058 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001172499319 1049922655 /nfs/dbraw/zinc/92/26/55/1049922655.db2.gz RCQGRPBHRAZZAZ-OAHLLOKOSA-N 1 0 334.423 4.076 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC001172501396 1049922776 /nfs/dbraw/zinc/92/27/76/1049922776.db2.gz HGUBZHROOCBBOG-MSOLQXFVSA-N 1 0 327.509 4.073 20 30 EIEDRO CCCC[C@H]1C[N@@H+]([C@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172498442 1049923131 /nfs/dbraw/zinc/92/31/31/1049923131.db2.gz MWLAXGCKZLCWMS-SJORKVTESA-N 1 0 337.508 4.180 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+]Cc1ccc(S(C)(=O)=O)cn1 ZINC001172500624 1049923023 /nfs/dbraw/zinc/92/30/23/1049923023.db2.gz BGPCLQIQPILVKH-MRXNPFEDSA-N 1 0 340.533 4.104 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC001172498334 1049923079 /nfs/dbraw/zinc/92/30/79/1049923079.db2.gz LQOQOOVYVPIFSB-ZDUSSCGKSA-N 1 0 326.271 4.198 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)c2cccnc2)C1 ZINC001172501508 1049923500 /nfs/dbraw/zinc/92/35/00/1049923500.db2.gz CYNAWQFESHTFJG-VQTJNVASSA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001172505566 1049924129 /nfs/dbraw/zinc/92/41/29/1049924129.db2.gz PHTGKEFLZWMXEK-MOPGFXCFSA-N 1 0 335.536 4.491 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001172503940 1049924527 /nfs/dbraw/zinc/92/45/27/1049924527.db2.gz CTFYYBHHRAZMNS-CQSZACIVSA-N 1 0 340.298 4.193 20 30 EIEDRO CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@@H+]1[C@H](C)CCCC#N ZINC001172510066 1049925228 /nfs/dbraw/zinc/92/52/28/1049925228.db2.gz VATKTQUIENCLIV-NEWSRXKRSA-N 1 0 328.456 4.228 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001172506790 1049925264 /nfs/dbraw/zinc/92/52/64/1049925264.db2.gz JGOHICZNJKWJTB-AWEZNQCLSA-N 1 0 340.298 4.193 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001172508702 1049925331 /nfs/dbraw/zinc/92/53/31/1049925331.db2.gz MXMSFMAYTFZMDC-RBUKOAKNSA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+][C@H]1CC[C@H](NC(=O)COC)CC1 ZINC001172508801 1049925867 /nfs/dbraw/zinc/92/58/67/1049925867.db2.gz OMCYJQDPELZQQC-FHWLQOOXSA-N 1 0 340.552 4.179 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+]C1(CC(=O)OC)CCOCC1 ZINC001172508892 1049925886 /nfs/dbraw/zinc/92/58/86/1049925886.db2.gz QFYQRRLZBBUSRW-KRWDZBQOSA-N 1 0 327.509 4.218 20 30 EIEDRO CCCCCCC[C@@H](CCC)[N@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172509086 1049926172 /nfs/dbraw/zinc/92/61/72/1049926172.db2.gz SEZMIFDKNXBIND-RTBURBONSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH+]1CCC(OCC(=O)NCC)CC1 ZINC001172511433 1049927056 /nfs/dbraw/zinc/92/70/56/1049927056.db2.gz QULPIYKEFJGZEK-SFHVURJKSA-N 1 0 340.552 4.133 20 30 EIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172560465 1049933543 /nfs/dbraw/zinc/93/35/43/1049933543.db2.gz IOVDNYZUAUNMDL-MLNNCEHLSA-N 1 0 341.495 4.149 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000617038593 1049944340 /nfs/dbraw/zinc/94/43/40/1049944340.db2.gz ZEBGFGLIFFUPMJ-CTNGQTDRSA-N 1 0 340.511 4.150 20 30 EIEDRO C#CC1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C2)CC1 ZINC001172645250 1049954809 /nfs/dbraw/zinc/95/48/09/1049954809.db2.gz LKKYULBPEYQMQS-RTBURBONSA-N 1 0 348.531 4.290 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C2)C1 ZINC001172651929 1049956052 /nfs/dbraw/zinc/95/60/52/1049956052.db2.gz UMAOLQGTNHLSAH-GUDVDZBRSA-N 1 0 348.531 4.290 20 30 EIEDRO CCCC[C@@H]1C[C@@H]([N@H+](CC)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172652578 1049956489 /nfs/dbraw/zinc/95/64/89/1049956489.db2.gz YDACMVGABPTHHP-DLBZAZTESA-N 1 0 337.508 4.180 20 30 EIEDRO CC(C)Oc1ccc(F)c(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001212308119 1050016995 /nfs/dbraw/zinc/01/69/95/1050016995.db2.gz INASXUVTKBWUDB-UHFFFAOYSA-N 1 0 345.443 4.278 20 30 EIEDRO C[C@H](CCc1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181387472 1050114130 /nfs/dbraw/zinc/11/41/30/1050114130.db2.gz PGVBOIPZEQRAHE-LJQANCHMSA-N 1 0 347.506 4.134 20 30 EIEDRO COC(=O)[C@H]1CCC[C@H]([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001172791748 1050157787 /nfs/dbraw/zinc/15/77/87/1050157787.db2.gz NBYHFDGRCOUXSE-HKUYNNGSSA-N 1 0 334.504 4.437 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172795957 1050159925 /nfs/dbraw/zinc/15/99/25/1050159925.db2.gz DFFBUWANIRCXKM-ULQDDVLXSA-N 1 0 331.456 4.024 20 30 EIEDRO C[C@@H](CSc1ccc(Cl)cc1)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001172874758 1050215437 /nfs/dbraw/zinc/21/54/37/1050215437.db2.gz IKJCRBSDHPFOQZ-LBPRGKRZSA-N 1 0 329.856 4.098 20 30 EIEDRO C[C@H](CSc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001172875734 1050217784 /nfs/dbraw/zinc/21/77/84/1050217784.db2.gz AYOQQYOQDGPWQO-IAQYHMDHSA-N 1 0 339.913 4.095 20 30 EIEDRO CC[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181594151 1050235856 /nfs/dbraw/zinc/23/58/56/1050235856.db2.gz LGVMMISDRZKZLL-OAQYLSRUSA-N 1 0 347.506 4.306 20 30 EIEDRO C=C[C@@H]([NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001173065087 1050279053 /nfs/dbraw/zinc/27/90/53/1050279053.db2.gz UHHOFSNAFHGZMQ-RYQLBKOJSA-N 1 0 330.472 4.291 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001173089500 1050281319 /nfs/dbraw/zinc/28/13/19/1050281319.db2.gz XGKAJBOURPERDJ-ZFWWWQNUSA-N 1 0 326.362 4.142 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001173084578 1050296513 /nfs/dbraw/zinc/29/65/13/1050296513.db2.gz BIHRIBRKNKBTLL-CQSZACIVSA-N 1 0 348.368 4.220 20 30 EIEDRO CC(C)(C)[PH+](CCCNC(=O)C#Cc1cccnc1)C(C)(C)C ZINC001177782368 1050297631 /nfs/dbraw/zinc/29/76/31/1050297631.db2.gz MQOSAZMYVJHPPR-UHFFFAOYSA-N 1 0 332.428 4.018 20 30 EIEDRO Cc1cc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)ccc1C#N ZINC000618192279 1050303241 /nfs/dbraw/zinc/30/32/41/1050303241.db2.gz ALWNNMOZELASCV-JOCHJYFZSA-N 1 0 333.479 4.184 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)cc1 ZINC000763498921 1050312817 /nfs/dbraw/zinc/31/28/17/1050312817.db2.gz FZXZZINJZYNNJP-FCHUYYIVSA-N 1 0 332.447 4.134 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CCc3ccccc3CC2)c1 ZINC001177885893 1050318944 /nfs/dbraw/zinc/31/89/44/1050318944.db2.gz UQEXJDREYYLDLE-NRFANRHFSA-N 1 0 334.463 4.405 20 30 EIEDRO C[C@@H](CCC(C)(C)C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181776776 1050329008 /nfs/dbraw/zinc/32/90/08/1050329008.db2.gz VJJOJXKIRQWESU-KRWDZBQOSA-N 1 0 327.516 4.327 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2C[C@H](OCCCC)C2(C)C)cc(OC)c1O ZINC001177962593 1050330990 /nfs/dbraw/zinc/33/09/90/1050330990.db2.gz RPHRHHIWNPLHHX-OALUTQOASA-N 1 0 347.499 4.203 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@H](OCCCC)C2(C)C)cc(OC)c1O ZINC001177962590 1050331730 /nfs/dbraw/zinc/33/17/30/1050331730.db2.gz RPHRHHIWNPLHHX-MOPGFXCFSA-N 1 0 347.499 4.203 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCC[C@@H](SCC)C2)cc(OC)c1O ZINC001177948668 1050345269 /nfs/dbraw/zinc/34/52/69/1050345269.db2.gz LKWVYQQAOKJEBL-DLBZAZTESA-N 1 0 335.513 4.283 20 30 EIEDRO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC001173209820 1050370786 /nfs/dbraw/zinc/37/07/86/1050370786.db2.gz JCJJVTIXYCFFPH-FQEVSTJZSA-N 1 0 347.506 4.128 20 30 EIEDRO CCc1ccc([C@H](CNc2ncc(C#N)cc2F)[NH+](CC)CC)cc1 ZINC001186593212 1050374073 /nfs/dbraw/zinc/37/40/73/1050374073.db2.gz AJZDIZKMLMJAFX-IBGZPJMESA-N 1 0 340.446 4.150 20 30 EIEDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1cccc(C#N)c1)O[C@H](C)C2 ZINC000181995669 1050412984 /nfs/dbraw/zinc/41/29/84/1050412984.db2.gz XWLTZWOJZWAGDO-CABCVRRESA-N 1 0 336.435 4.131 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(OCc2cccnc2)cc1 ZINC000618562537 1050414061 /nfs/dbraw/zinc/41/40/61/1050414061.db2.gz CIVJDJZVGPBCRK-ABSDTBQOSA-N 1 0 335.451 4.394 20 30 EIEDRO C=CCOC1CCC([N@H+](C)CCc2cccc(C(F)(F)F)n2)CC1 ZINC001173322241 1050415320 /nfs/dbraw/zinc/41/53/20/1050415320.db2.gz ZNFVXCAFJGVXRD-UHFFFAOYSA-N 1 0 342.405 4.089 20 30 EIEDRO C=CCOC1CCC([N@H+](CC)[C@H](C)Cc2ccc(OC)cc2)CC1 ZINC001173321649 1050415577 /nfs/dbraw/zinc/41/55/77/1050415577.db2.gz NOUXSVKLILEWJU-FQVISZRSSA-N 1 0 331.500 4.462 20 30 EIEDRO C=CCOC1CCC([N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)CC1 ZINC001173325326 1050417732 /nfs/dbraw/zinc/41/77/32/1050417732.db2.gz JHLZHZGKTIXAGH-RVEPMOMFSA-N 1 0 342.527 4.095 20 30 EIEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173324876 1050418421 /nfs/dbraw/zinc/41/84/21/1050418421.db2.gz WVGORHKHWYZUGC-BFWZDYSYSA-N 1 0 349.519 4.084 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(Cc3ccccc3OC)CC2)CC1 ZINC001173323953 1050418526 /nfs/dbraw/zinc/41/85/26/1050418526.db2.gz JOHGCIPSUGLNCR-UHFFFAOYSA-N 1 0 343.511 4.464 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC001173329653 1050420397 /nfs/dbraw/zinc/42/03/97/1050420397.db2.gz KSIKJFRDMXNOKO-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cn(Cc3ccc(Cl)cc3)cn2)CC1 ZINC001173332027 1050422149 /nfs/dbraw/zinc/42/21/49/1050422149.db2.gz GQCFSMVJBYEHHW-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO CN(C[C@@H]1CCC[N@@H+](C2CCC(CC#N)CC2)C1)C(=O)OC(C)(C)C ZINC001173331003 1050422971 /nfs/dbraw/zinc/42/29/71/1050422971.db2.gz JIHUFJUIXZFYLO-ADKAHSJRSA-N 1 0 349.519 4.038 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]C2CCC(CC#N)CC2)ncc1Br ZINC001173333093 1050423326 /nfs/dbraw/zinc/42/33/26/1050423326.db2.gz XUBAFAKTCYJXOD-HSBZDZAISA-N 1 0 336.277 4.276 20 30 EIEDRO N#CCC1CCC([NH2+]CCc2ccc(Oc3ccccc3)nc2)CC1 ZINC001173332488 1050423362 /nfs/dbraw/zinc/42/33/62/1050423362.db2.gz MFBVRKSKCVPCJF-UHFFFAOYSA-N 1 0 335.451 4.478 20 30 EIEDRO CCCCCCCOc1cccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC001178268041 1050423887 /nfs/dbraw/zinc/42/38/87/1050423887.db2.gz VUZBNXQPVLDXDD-IBGZPJMESA-N 1 0 341.499 4.406 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1C1CCC(CC#N)CC1 ZINC001173337097 1050424508 /nfs/dbraw/zinc/42/45/08/1050424508.db2.gz ZCVDHUMILBGMKC-RBGSFJITSA-N 1 0 346.515 4.434 20 30 EIEDRO CN(Cc1cccc(F)c1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173336611 1050424536 /nfs/dbraw/zinc/42/45/36/1050424536.db2.gz GJFAFIANEFIPDP-UHFFFAOYSA-N 1 0 343.490 4.194 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(F)c(Br)c1 ZINC000618573731 1050424457 /nfs/dbraw/zinc/42/44/57/1050424457.db2.gz PFTJUKXIFAKLPZ-NTZNESFSSA-N 1 0 325.225 4.321 20 30 EIEDRO CCC[C@H]1C[N@@H+](C2CCC(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173336662 1050424687 /nfs/dbraw/zinc/42/46/87/1050424687.db2.gz IHIIOGJRNSWWOE-ABHNRTSZSA-N 1 0 349.519 4.180 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C1CCC(CC#N)CC1 ZINC001173337096 1050425299 /nfs/dbraw/zinc/42/52/99/1050425299.db2.gz ZCVDHUMILBGMKC-NQEVIQBJSA-N 1 0 346.515 4.434 20 30 EIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]C1CCC(CC#N)CC1 ZINC001173334603 1050425426 /nfs/dbraw/zinc/42/54/26/1050425426.db2.gz VGWQKNDMVZFPFH-TUBUQKNSSA-N 1 0 335.289 4.442 20 30 EIEDRO C[N@H+](C1CCC(CC#N)CC1)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001173336484 1050425599 /nfs/dbraw/zinc/42/55/99/1050425599.db2.gz AOPDMFTZXRCRQL-UHFFFAOYSA-N 1 0 349.519 4.180 20 30 EIEDRO COc1ccc([C@@H]2CSCC[N@@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173339465 1050426916 /nfs/dbraw/zinc/42/69/16/1050426916.db2.gz PIVMIMUYABJJBO-KVWWFHCMSA-N 1 0 330.497 4.258 20 30 EIEDRO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2C2CCC(CC#N)CC2)cc1 ZINC001173339552 1050428659 /nfs/dbraw/zinc/42/86/59/1050428659.db2.gz OOXWBYAOCGKKMQ-GQOXECLESA-N 1 0 340.467 4.473 20 30 EIEDRO C[N@H+](Cc1cccc(Br)c1F)C1CCC(CC#N)CC1 ZINC001173340322 1050430111 /nfs/dbraw/zinc/43/01/11/1050430111.db2.gz ZYYOTVRJBYGLBY-UHFFFAOYSA-N 1 0 339.252 4.492 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3C)C2)CC1 ZINC001173320552 1050441660 /nfs/dbraw/zinc/44/16/60/1050441660.db2.gz PNOYPVZJYFCXRB-SOAGJPPSSA-N 1 0 329.484 4.352 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)CC1 ZINC001173319959 1050441855 /nfs/dbraw/zinc/44/18/55/1050441855.db2.gz BSXQHTOVBGOKEW-CTWPCTMYSA-N 1 0 345.483 4.355 20 30 EIEDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n(-c2ccccc2)n1 ZINC000182046454 1050445575 /nfs/dbraw/zinc/44/55/75/1050445575.db2.gz WWEAINOGGATHJP-AEFFLSMTSA-N 1 0 344.462 4.334 20 30 EIEDRO C=CCCOCC[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C(C)(C)C ZINC001178412388 1050465551 /nfs/dbraw/zinc/46/55/51/1050465551.db2.gz ORIGVMDSUSSGCR-UHFFFAOYSA-N 1 0 341.499 4.161 20 30 EIEDRO CC(C)[C@H]1CN(c2cc(F)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001187045946 1050467304 /nfs/dbraw/zinc/46/73/04/1050467304.db2.gz ZFRKLNYYWFJFHH-OAQYLSRUSA-N 1 0 337.442 4.044 20 30 EIEDRO Cc1cc(C[NH2+]CCc2cn(C)c3cc(Cl)ccc23)ccc1C#N ZINC001178496698 1050470377 /nfs/dbraw/zinc/47/03/77/1050470377.db2.gz HHRZGIUBGOGOCQ-UHFFFAOYSA-N 1 0 337.854 4.344 20 30 EIEDRO COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2C1CCC(C)(C#N)CC1 ZINC001173585977 1050492693 /nfs/dbraw/zinc/49/26/93/1050492693.db2.gz AXZDMTHMIYBGHM-PCVOSPCESA-N 1 0 325.456 4.185 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2Cl)CC1 ZINC001173588929 1050494525 /nfs/dbraw/zinc/49/45/25/1050494525.db2.gz NULILAGVXOWJLF-NRAUKZCXSA-N 1 0 327.255 4.089 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)Nc1ccc2ccccc2c1 ZINC001173588932 1050495427 /nfs/dbraw/zinc/49/54/27/1050495427.db2.gz NVCWQMABBGMNAJ-AZOSJMHDSA-N 1 0 335.451 4.229 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC001173589084 1050495526 /nfs/dbraw/zinc/49/55/26/1050495526.db2.gz VEXSFNVHHDBLDX-NQKNOSNGSA-N 1 0 330.447 4.355 20 30 EIEDRO C=C[C@H](COC)[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC001178536752 1050495734 /nfs/dbraw/zinc/49/57/34/1050495734.db2.gz BFERZFDIVKFRFU-MRXNPFEDSA-N 1 0 346.268 4.407 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)CC1 ZINC001173594531 1050496591 /nfs/dbraw/zinc/49/65/91/1050496591.db2.gz HNEHEJMMYPMQLT-SDEKRAFDSA-N 1 0 339.483 4.035 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2ccc(Oc3ccccc3)nc2)CC1 ZINC001173592842 1050497250 /nfs/dbraw/zinc/49/72/50/1050497250.db2.gz DKIQQLCRTNMUHG-UHFFFAOYSA-N 1 0 335.451 4.478 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cncn2Cc2cccc(Cl)c2)CC1 ZINC001173591863 1050497482 /nfs/dbraw/zinc/49/74/82/1050497482.db2.gz VFCGOKGQGRCTSO-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO COC(=O)c1ccc(C2CC[NH+](C3CCC(C)(C#N)CC3)CC2)cc1 ZINC001173599430 1050499210 /nfs/dbraw/zinc/49/92/10/1050499210.db2.gz LKVNDDZGZRAZJT-UHFFFAOYSA-N 1 0 340.467 4.125 20 30 EIEDRO C[N@H+](Cc1cccc(Br)c1F)C1CCC(C)(C#N)CC1 ZINC001173599162 1050500293 /nfs/dbraw/zinc/50/02/93/1050500293.db2.gz HGZBBXKMRUFFPE-UHFFFAOYSA-N 1 0 339.252 4.492 20 30 EIEDRO COC(=O)[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC001173600787 1050502708 /nfs/dbraw/zinc/50/27/08/1050502708.db2.gz JHNJOBKBELSTBP-VWMQHHCSSA-N 1 0 340.467 4.085 20 30 EIEDRO CCC[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173600986 1050502924 /nfs/dbraw/zinc/50/29/24/1050502924.db2.gz MZIUUDJLVSZJCF-GNZRSQJKSA-N 1 0 349.519 4.180 20 30 EIEDRO Cc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c(Br)c1 ZINC000618742119 1050503716 /nfs/dbraw/zinc/50/37/16/1050503716.db2.gz QBBNYLDLYMGXTB-SFHVURJKSA-N 1 0 341.252 4.406 20 30 EIEDRO CCOC(=O)[C@@H]1CC12CCC([NH2+][C@H](CC)c1cccc(C#N)c1)CC2 ZINC001173603762 1050503875 /nfs/dbraw/zinc/50/38/75/1050503875.db2.gz HRNUWFUXTKPAPP-KYBDOYODSA-N 1 0 340.467 4.111 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(Br)c1F ZINC001178620870 1050520303 /nfs/dbraw/zinc/52/03/03/1050520303.db2.gz YGAXOSIYFOIGMN-INIZCTEOSA-N 1 0 345.215 4.237 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(-n2ccnc2)cc1 ZINC000618804750 1050534279 /nfs/dbraw/zinc/53/42/79/1050534279.db2.gz LTCFWMPFQSZDEQ-QVKFZJNVSA-N 1 0 328.419 4.082 20 30 EIEDRO N#CCCCC[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173706927 1050550956 /nfs/dbraw/zinc/55/09/56/1050550956.db2.gz JYMXWAUWBOLJTC-NRFANRHFSA-N 1 0 334.463 4.406 20 30 EIEDRO SCCC[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173707514 1050551174 /nfs/dbraw/zinc/55/11/74/1050551174.db2.gz LPOATVYPBMVRHA-LJQANCHMSA-N 1 0 327.493 4.032 20 30 EIEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173706710 1050551381 /nfs/dbraw/zinc/55/13/81/1050551381.db2.gz IOXQEHZIZBXIQZ-SFTDATJTSA-N 1 0 334.463 4.405 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([N@@H+]3CCC[C@H](CC#N)C3)CC2)cc1 ZINC001173790016 1050571240 /nfs/dbraw/zinc/57/12/40/1050571240.db2.gz ZWEXMNWYDOXGMA-PGYGNJIDSA-N 1 0 340.467 4.264 20 30 EIEDRO C=C(CC)C[NH2+]Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2 ZINC001178944471 1050594975 /nfs/dbraw/zinc/59/49/75/1050594975.db2.gz HUYPFQULPKELGD-UHFFFAOYSA-N 1 0 336.501 4.097 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(Br)c(F)c1C#N ZINC001173932517 1050653094 /nfs/dbraw/zinc/65/30/94/1050653094.db2.gz RFEUOWFYBWMIDO-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC001179303840 1050666208 /nfs/dbraw/zinc/66/62/08/1050666208.db2.gz BARQMFYDXCXZMP-UHFFFAOYSA-N 1 0 331.419 4.063 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC001179382089 1050686665 /nfs/dbraw/zinc/68/66/65/1050686665.db2.gz NKDWGWCFGGLMHW-QFIPXVFZSA-N 1 0 347.506 4.319 20 30 EIEDRO C=CCCC[C@@H]([NH2+]Cc1cc(C(=O)OC)c(C)n1C)c1ccccc1 ZINC001179457699 1050700466 /nfs/dbraw/zinc/70/04/66/1050700466.db2.gz JPSGDDCTSMNPIE-HXUWFJFHSA-N 1 0 340.467 4.307 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(Br)c3ccccc3n2C)CC1 ZINC001179507162 1050713818 /nfs/dbraw/zinc/71/38/18/1050713818.db2.gz RCFWDUVFGUBAAC-HDJSIYSDSA-N 1 0 345.284 4.222 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2ccccc2OCc2ccccn2)cc1C#N ZINC001179562494 1050716400 /nfs/dbraw/zinc/71/64/00/1050716400.db2.gz AYXSKJBSLFPKEV-UHFFFAOYSA-N 1 0 343.430 4.131 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@]2(CO)CC[C@@H](C)c3ccccc32)c1 ZINC001179789017 1050778264 /nfs/dbraw/zinc/77/82/64/1050778264.db2.gz LMGWTAXAQWOEQJ-VGOFRKELSA-N 1 0 337.463 4.126 20 30 EIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000619427326 1050785578 /nfs/dbraw/zinc/78/55/78/1050785578.db2.gz HDYSCEUBPCFUBH-PMPSAXMXSA-N 1 0 338.451 4.418 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508752 1050795995 /nfs/dbraw/zinc/79/59/95/1050795995.db2.gz VIJIWJIVBYFFNE-FGZHOGPDSA-N 1 0 327.431 4.475 20 30 EIEDRO CC(C)=CCC[C@H](C)CC[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000619509076 1050796971 /nfs/dbraw/zinc/79/69/71/1050796971.db2.gz XEJSVZHBQGWBJZ-SFHVURJKSA-N 1 0 340.515 4.284 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000619508605 1050797172 /nfs/dbraw/zinc/79/71/72/1050797172.db2.gz OJFXMQYYMIRPAH-FQEVSTJZSA-N 1 0 329.407 4.019 20 30 EIEDRO COc1cc2c(N[C@H]3CCc4cc(C#N)ccc43)cc[nH+]c2cc1F ZINC000619498534 1050801623 /nfs/dbraw/zinc/80/16/23/1050801623.db2.gz WNWLVRIBOKXWLK-KRWDZBQOSA-N 1 0 333.366 4.354 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@@H](Cc2ccccc2)c2ccccn2)CC1 ZINC001179822601 1050802258 /nfs/dbraw/zinc/80/22/58/1050802258.db2.gz QKCRMUYVPHTTFX-VRKFHHGPSA-N 1 0 333.479 4.470 20 30 EIEDRO C=CCN(Cc1ccc(OC)cc1)Cc1ccc(Br)nc1 ZINC001179967112 1050849677 /nfs/dbraw/zinc/84/96/77/1050849677.db2.gz YKAGKLBYWQLGPP-UHFFFAOYSA-N 1 0 347.256 4.041 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCCO2 ZINC000619755514 1050883032 /nfs/dbraw/zinc/88/30/32/1050883032.db2.gz ZJAQSUZBSQBEJW-CYBMUJFWSA-N 1 0 342.826 4.224 20 30 EIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619754926 1050885978 /nfs/dbraw/zinc/88/59/78/1050885978.db2.gz OSIZJWPYERXHID-CQSZACIVSA-N 1 0 341.842 4.027 20 30 EIEDRO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC001180185099 1050897036 /nfs/dbraw/zinc/89/70/36/1050897036.db2.gz WPYSAMMJSFLSRW-GOSISDBHSA-N 1 0 326.390 4.434 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)CC1 ZINC000153049963 1050941756 /nfs/dbraw/zinc/94/17/56/1050941756.db2.gz UBCUXUWYQJBBAJ-CQSZACIVSA-N 1 0 342.405 4.276 20 30 EIEDRO C=CCO[C@H]1CC[N@@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001180317476 1050949896 /nfs/dbraw/zinc/94/98/96/1050949896.db2.gz GNWGAHVFBDLCTH-FQEVSTJZSA-N 1 0 327.399 4.395 20 30 EIEDRO COc1cc(Nc2cc[nH+]cc2C)c(C#N)cc1OCc1ccccc1 ZINC001174539258 1051032754 /nfs/dbraw/zinc/03/27/54/1051032754.db2.gz ZWZMXHWDIJOBKV-UHFFFAOYSA-N 1 0 345.402 4.015 20 30 EIEDRO C[C@@H](CC1CCCCC1)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001180546308 1051035470 /nfs/dbraw/zinc/03/54/70/1051035470.db2.gz HEGVYNYMCXHYEV-SFHVURJKSA-N 1 0 325.500 4.287 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cccc(Br)c1OC)c1ccccc1 ZINC000775312807 1051062219 /nfs/dbraw/zinc/06/22/19/1051062219.db2.gz AJJRTNASDINZQQ-KRWDZBQOSA-N 1 0 344.252 4.312 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001180950372 1051119121 /nfs/dbraw/zinc/11/91/21/1051119121.db2.gz AQFGEWBPZZWZOI-ZFWWWQNUSA-N 1 0 340.389 4.145 20 30 EIEDRO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001190391072 1051164568 /nfs/dbraw/zinc/16/45/68/1051164568.db2.gz FROWVKCTIQVEDF-SFHVURJKSA-N 1 0 326.827 4.428 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(C(F)(F)F)cc3)sc2C1 ZINC001174768610 1051164899 /nfs/dbraw/zinc/16/48/99/1051164899.db2.gz ALKMYJTXHHYLDR-UHFFFAOYSA-N 1 0 337.370 4.370 20 30 EIEDRO CCCCCCC[C@H](C)[NH2+]Cc1cc(S(C)(=O)=O)ccc1F ZINC001181184305 1051172952 /nfs/dbraw/zinc/17/29/52/1051172952.db2.gz GKATZWFHXOLUEY-AWEZNQCLSA-N 1 0 329.481 4.068 20 30 EIEDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001190503388 1051198346 /nfs/dbraw/zinc/19/83/46/1051198346.db2.gz RUPTXZIHULYWGH-MRXNPFEDSA-N 1 0 347.890 4.160 20 30 EIEDRO N#CC1(CC(=O)NCC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC001181381698 1051214417 /nfs/dbraw/zinc/21/44/17/1051214417.db2.gz SJFHRMYKMZJVDR-UHFFFAOYSA-N 1 0 345.531 4.011 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000775399280 1051222656 /nfs/dbraw/zinc/22/26/56/1051222656.db2.gz QRIRRVBHMHZXLU-MRXNPFEDSA-N 1 0 347.245 4.286 20 30 EIEDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775399281 1051223648 /nfs/dbraw/zinc/22/36/48/1051223648.db2.gz FNWONIQPGOOJQG-XWIAVFTESA-N 1 0 326.465 4.099 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1O)c1ccccc1 ZINC000775399375 1051223859 /nfs/dbraw/zinc/22/38/59/1051223859.db2.gz FZSMARDBRXLOOC-SFHVURJKSA-N 1 0 327.811 4.102 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1ccc(-n2nc(C)cc2C)cc1)c1ccccc1 ZINC000775400443 1051227804 /nfs/dbraw/zinc/22/78/04/1051227804.db2.gz PJGGRXKHLXJZRG-QFIPXVFZSA-N 1 0 329.447 4.343 20 30 EIEDRO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@@H](O)CC1(C#N)CCC1 ZINC001190708501 1051250402 /nfs/dbraw/zinc/25/04/02/1051250402.db2.gz UDWOILJOEABHKU-FQEVSTJZSA-N 1 0 334.463 4.230 20 30 EIEDRO C#CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000775404519 1051259064 /nfs/dbraw/zinc/25/90/64/1051259064.db2.gz PFWAIVHXDDCFPF-QZTJIDSGSA-N 1 0 334.246 4.381 20 30 EIEDRO CN(C)CC[N@H+](Cc1ccc(C#N)cc1)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001181565825 1051259788 /nfs/dbraw/zinc/25/97/88/1051259788.db2.gz SZKXLQIYSCJWIC-DHIUTWEWSA-N 1 0 347.506 4.116 20 30 EIEDRO C[C@H](CCc1ccccc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001190819051 1051284584 /nfs/dbraw/zinc/28/45/84/1051284584.db2.gz RPIQJMWQWVIGJX-LJQANCHMSA-N 1 0 333.479 4.092 20 30 EIEDRO C=C1CC(C(=O)N2CCCC3(C[NH+](C[C@@H](CC)CCCC)C3)C2)C1 ZINC001272708836 1051291262 /nfs/dbraw/zinc/29/12/62/1051291262.db2.gz GKVGYIBSFVTJIG-SFHVURJKSA-N 1 0 332.532 4.093 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001190883135 1051298942 /nfs/dbraw/zinc/29/89/42/1051298942.db2.gz AYGUDUTUCPOCER-IBGZPJMESA-N 1 0 344.499 4.464 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001190883136 1051299450 /nfs/dbraw/zinc/29/94/50/1051299450.db2.gz AYGUDUTUCPOCER-LJQANCHMSA-N 1 0 344.499 4.464 20 30 EIEDRO C=CC[C@H](C)[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC001190993806 1051320990 /nfs/dbraw/zinc/32/09/90/1051320990.db2.gz DBAJEAYZTUVRJV-GJZGRUSLSA-N 1 0 337.305 4.092 20 30 EIEDRO C#CC[N@@H+](CCCC=C)[C@H]1CCOc2ccc(Br)cc21 ZINC001191038390 1051333474 /nfs/dbraw/zinc/33/34/74/1051333474.db2.gz JLRNVCNYRFACPY-INIZCTEOSA-N 1 0 334.257 4.174 20 30 EIEDRO CCCCCCCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC001191076322 1051343193 /nfs/dbraw/zinc/34/31/93/1051343193.db2.gz FFSBMARUMJXZGO-UHFFFAOYSA-N 1 0 337.552 4.443 20 30 EIEDRO CCCCCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001191112938 1051357175 /nfs/dbraw/zinc/35/71/75/1051357175.db2.gz PFRASAZNEUCECI-QUCCMNQESA-N 1 0 345.531 4.309 20 30 EIEDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191156573 1051367482 /nfs/dbraw/zinc/36/74/82/1051367482.db2.gz LXGHIXWUZFUSRH-MAUKXSAKSA-N 1 0 335.407 4.153 20 30 EIEDRO C#C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC001182020937 1051384005 /nfs/dbraw/zinc/38/40/05/1051384005.db2.gz QTSJZPHLQFOKCT-FCHUYYIVSA-N 1 0 348.465 4.287 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001175129944 1051397047 /nfs/dbraw/zinc/39/70/47/1051397047.db2.gz YQBRHBNFDNFKQV-UHFFFAOYSA-N 1 0 330.353 4.444 20 30 EIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001191232120 1051404854 /nfs/dbraw/zinc/40/48/54/1051404854.db2.gz GFZPXHNFXUQYQH-NHCUHLMSSA-N 1 0 347.462 4.155 20 30 EIEDRO Cc1cccc([C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)C(C)C)c1 ZINC001175203992 1051419704 /nfs/dbraw/zinc/41/97/04/1051419704.db2.gz YCOFMLCMAHGUHF-OAQYLSRUSA-N 1 0 335.451 4.182 20 30 EIEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC001191350847 1051426899 /nfs/dbraw/zinc/42/68/99/1051426899.db2.gz SCYGYUGLCPVPNG-KRWDZBQOSA-N 1 0 339.483 4.322 20 30 EIEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC2(C1)CCCCCC2 ZINC001191350850 1051427219 /nfs/dbraw/zinc/42/72/19/1051427219.db2.gz SCYGYUGLCPVPNG-QGZVFWFLSA-N 1 0 339.483 4.322 20 30 EIEDRO C[C@@]1(CCc2ccccc2)CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC001191444508 1051460038 /nfs/dbraw/zinc/46/00/38/1051460038.db2.gz NDAGVSGNBIZMAT-JOCHJYFZSA-N 1 0 334.463 4.282 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000774148820 1051482144 /nfs/dbraw/zinc/48/21/44/1051482144.db2.gz CUQQZZVGDROZHL-NRFANRHFSA-N 1 0 347.462 4.035 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ccc(C#N)cc1 ZINC000774168998 1051490051 /nfs/dbraw/zinc/49/00/51/1051490051.db2.gz LYQUONJNLJJBQJ-JOCHJYFZSA-N 1 0 349.478 4.277 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000156069983 1051490701 /nfs/dbraw/zinc/49/07/01/1051490701.db2.gz DUKGRJVMVDCXNX-UONOGXRCSA-N 1 0 341.421 4.260 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000774230265 1051507893 /nfs/dbraw/zinc/50/78/93/1051507893.db2.gz HWRSLUTVBIHMDH-PNHOKKKMSA-N 1 0 326.415 4.250 20 30 EIEDRO C=CCC1([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC001175372135 1051558620 /nfs/dbraw/zinc/55/86/20/1051558620.db2.gz RMZGMHAZHLCWSP-KRWDZBQOSA-N 1 0 341.417 4.477 20 30 EIEDRO CCN(Cc1ccccc1)c1ccc(C=[NH+]OC2CCOCC2)cc1 ZINC000774444750 1051591881 /nfs/dbraw/zinc/59/18/81/1051591881.db2.gz OAEBTUDHLFRXJW-UHFFFAOYSA-N 1 0 338.451 4.243 20 30 EIEDRO CC(C)(O)C#Cc1cccc(NC2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC001175506578 1051639071 /nfs/dbraw/zinc/63/90/71/1051639071.db2.gz HCOZNLUZYDQYKR-UHFFFAOYSA-N 1 0 346.474 4.011 20 30 EIEDRO N#Cc1ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)c2cccnc12 ZINC001175507554 1051639784 /nfs/dbraw/zinc/63/97/84/1051639784.db2.gz QYIMHMZAMKZIGG-UHFFFAOYSA-N 1 0 340.430 4.308 20 30 EIEDRO N#CC1CCC(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)CC1 ZINC001192158807 1051644876 /nfs/dbraw/zinc/64/48/76/1051644876.db2.gz MLXDGMGPVZBCTJ-UHFFFAOYSA-N 1 0 326.484 4.124 20 30 EIEDRO C=CCC[C@@H](O)CNC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000542630644 1051645586 /nfs/dbraw/zinc/64/55/86/1051645586.db2.gz HVAYZJHXUHJEEA-QGZVFWFLSA-N 1 0 347.503 4.193 20 30 EIEDRO CC1(C)CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCC2)[C@@H](c2ccccc2)C1 ZINC001175610895 1051699861 /nfs/dbraw/zinc/69/98/61/1051699861.db2.gz IRTCVHGDOFFAKO-AQNXPRMDSA-N 1 0 340.511 4.383 20 30 EIEDRO C=CCCSCC[NH2+][C@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001182781230 1051710302 /nfs/dbraw/zinc/71/03/02/1051710302.db2.gz JENUBWJTJQUXKF-CQSZACIVSA-N 1 0 340.920 4.264 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC001182844606 1051713033 /nfs/dbraw/zinc/71/30/33/1051713033.db2.gz MVTGMOIXFACRFH-MDZRGWNJSA-N 1 0 330.472 4.137 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)COc1ccc(CCOC)cc1 ZINC001182843718 1051713536 /nfs/dbraw/zinc/71/35/36/1051713536.db2.gz GHFWYPGZDMQGJV-DSKINZAPSA-N 1 0 331.500 4.367 20 30 EIEDRO Cc1ccc(Br)c(F)c1CN1CCC[C@@H](CC#N)C1 ZINC001182854203 1051722618 /nfs/dbraw/zinc/72/26/18/1051722618.db2.gz GNCWTJZYFQXIPE-LBPRGKRZSA-N 1 0 325.225 4.022 20 30 EIEDRO C=CCCC1(C[NH2+]CC2(C)CCN(C(=O)OCC)CC2)CCCC1 ZINC001182864170 1051725003 /nfs/dbraw/zinc/72/50/03/1051725003.db2.gz ATYCJLJPHMEVMT-UHFFFAOYSA-N 1 0 336.520 4.361 20 30 EIEDRO N#CCCN1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000078527303 1051732974 /nfs/dbraw/zinc/73/29/74/1051732974.db2.gz IPIHRUHBZBFDIO-UHFFFAOYSA-N 1 0 329.447 4.024 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccc(F)cc1 ZINC001192452240 1051738239 /nfs/dbraw/zinc/73/82/39/1051738239.db2.gz JFAWLXPZXJPQIY-MRXNPFEDSA-N 1 0 345.443 4.055 20 30 EIEDRO CCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC001192556392 1051757181 /nfs/dbraw/zinc/75/71/81/1051757181.db2.gz CJAHVPUSAHOZKA-AUUYWEPGSA-N 1 0 326.465 4.054 20 30 EIEDRO COc1ccc([C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C2CC2)cc1 ZINC001192585666 1051772504 /nfs/dbraw/zinc/77/25/04/1051772504.db2.gz ZDJMJBZWHSUIBD-FQEVSTJZSA-N 1 0 325.839 4.441 20 30 EIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC001192614927 1051777573 /nfs/dbraw/zinc/77/75/73/1051777573.db2.gz DMRRRRYHXZSUTI-RHMWYWNKSA-N 1 0 340.854 4.232 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001192653296 1051780831 /nfs/dbraw/zinc/78/08/31/1051780831.db2.gz MSCFRCMCDPIJRR-DLBZAZTESA-N 1 0 348.487 4.004 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(F)ccc1OC(F)F ZINC001192652515 1051781021 /nfs/dbraw/zinc/78/10/21/1051781021.db2.gz DJPCMHYXODUGGO-UHFFFAOYSA-N 1 0 325.330 4.251 20 30 EIEDRO C=C(C)C[N@@H+](CC)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000158992580 1051803337 /nfs/dbraw/zinc/80/33/37/1051803337.db2.gz YDMUHUDWASRJCW-UHFFFAOYSA-N 1 0 326.440 4.067 20 30 EIEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000159006000 1051803806 /nfs/dbraw/zinc/80/38/06/1051803806.db2.gz PMXFEWOLWOWESP-UHFFFAOYSA-N 1 0 326.440 4.067 20 30 EIEDRO CC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC001192814592 1051814679 /nfs/dbraw/zinc/81/46/79/1051814679.db2.gz RYWREIGMEXONMO-GOSISDBHSA-N 1 0 328.799 4.341 20 30 EIEDRO CC1(C)[C@H](c2cccc(Cl)c2)CC[N@@H+]1Cc1cncc(C#N)c1 ZINC001175873190 1051830548 /nfs/dbraw/zinc/83/05/48/1051830548.db2.gz NLXHPSMATVBRMI-SFHVURJKSA-N 1 0 325.843 4.375 20 30 EIEDRO C=CCSc1ccccc1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC001175922638 1051846345 /nfs/dbraw/zinc/84/63/45/1051846345.db2.gz DIAYNKTYSWENHO-UHFFFAOYSA-N 1 0 346.540 4.303 20 30 EIEDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC001183453217 1051846445 /nfs/dbraw/zinc/84/64/45/1051846445.db2.gz ARHSPYXBELPEDO-ACJLOTCBSA-N 1 0 344.380 4.265 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)CCCC2 ZINC001183524970 1051851528 /nfs/dbraw/zinc/85/15/28/1051851528.db2.gz AAARGYQFPMOVPE-WMLDXEAASA-N 1 0 330.472 4.389 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1Cl ZINC000775585810 1051893767 /nfs/dbraw/zinc/89/37/67/1051893767.db2.gz KFYPRRSCRWFCBG-IBGZPJMESA-N 1 0 346.833 4.295 20 30 EIEDRO CSc1ccc(C[NH2+]C2CC(c3ccc(F)cc3)C2)cc1C#N ZINC001183798156 1051898919 /nfs/dbraw/zinc/89/89/19/1051898919.db2.gz AFRKUMOQQNAYFG-UHFFFAOYSA-N 1 0 326.440 4.455 20 30 EIEDRO COc1cc(C#N)c(F)cc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001176197864 1051926300 /nfs/dbraw/zinc/92/63/00/1051926300.db2.gz NASIHADZDDEGRS-UHFFFAOYSA-N 1 0 325.387 4.045 20 30 EIEDRO N#Cc1ccc(Nc2cccc(C[NH+]3CCCC3)c2)c2cccnc12 ZINC001176197420 1051941295 /nfs/dbraw/zinc/94/12/95/1051941295.db2.gz UEXJMJTVPKWGDF-UHFFFAOYSA-N 1 0 328.419 4.446 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCCCC[C@H]2C)ccc1Cl ZINC001193575736 1051947807 /nfs/dbraw/zinc/94/78/07/1051947807.db2.gz UFUPDYUPGNNZBZ-MRXNPFEDSA-N 1 0 347.890 4.160 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+]CCc1cc2ccc(C(=O)OC)cc2o1 ZINC001184265627 1051981137 /nfs/dbraw/zinc/98/11/37/1051981137.db2.gz UCOYBSSPUZGYTE-QGZVFWFLSA-N 1 0 329.440 4.486 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)cc1Cl ZINC001203271497 1052001194 /nfs/dbraw/zinc/00/11/94/1052001194.db2.gz SVSJOESMUDDWSX-MOPGFXCFSA-N 1 0 335.875 4.342 20 30 EIEDRO CCCCCCCOC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC001193985999 1052042741 /nfs/dbraw/zinc/04/27/41/1052042741.db2.gz WKWNZQIRFNSVBR-UHFFFAOYSA-N 1 0 332.488 4.348 20 30 EIEDRO C=C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC001193941765 1052043593 /nfs/dbraw/zinc/04/35/93/1052043593.db2.gz FGWWAEQMKQBYIY-QGZVFWFLSA-N 1 0 347.478 4.039 20 30 EIEDRO CC(C)(C)SCCC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001194041952 1052058447 /nfs/dbraw/zinc/05/84/47/1052058447.db2.gz IVMCMMGHDPJLKB-UHFFFAOYSA-N 1 0 332.513 4.323 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001194051483 1052061396 /nfs/dbraw/zinc/06/13/96/1052061396.db2.gz DMGIFLDEGPRCIV-UHFFFAOYSA-N 1 0 326.396 4.182 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(NCc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC001184667525 1052078129 /nfs/dbraw/zinc/07/81/29/1052078129.db2.gz YPYSNDMTJPZBIM-UHFFFAOYSA-N 1 0 348.494 4.459 20 30 EIEDRO N#Cc1ccc(NC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC001184749560 1052098436 /nfs/dbraw/zinc/09/84/36/1052098436.db2.gz LUJPMLJUZMSJGY-UHFFFAOYSA-N 1 0 334.423 4.188 20 30 EIEDRO C[NH+](C)[C@H](CNc1nc(C(C)(C)C)ccc1C#N)C1CCCCC1 ZINC001184784471 1052105218 /nfs/dbraw/zinc/10/52/18/1052105218.db2.gz GJAOXRSZLUTVQJ-QGZVFWFLSA-N 1 0 328.504 4.173 20 30 EIEDRO N#CC1(c2ccc(Nc3cnn(CC[NH+]4CCCC4)c3)cc2)CCCC1 ZINC001176560919 1052131747 /nfs/dbraw/zinc/13/17/47/1052131747.db2.gz YKFKJYUVVYKINZ-UHFFFAOYSA-N 1 0 349.482 4.058 20 30 EIEDRO Fc1ccc(C#CC[NH+]2CCC(Cc3cc(F)cc(F)c3)CC2)cc1 ZINC001194376894 1052132647 /nfs/dbraw/zinc/13/26/47/1052132647.db2.gz OCOTZSCWEKNNBM-UHFFFAOYSA-N 1 0 343.392 4.410 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194476996 1052156538 /nfs/dbraw/zinc/15/65/38/1052156538.db2.gz HBBWQSBDWRGKMX-IBGZPJMESA-N 1 0 335.407 4.155 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001194505080 1052162425 /nfs/dbraw/zinc/16/24/25/1052162425.db2.gz JYOWEPUENMPHRL-IIBYNOLFSA-N 1 0 336.435 4.197 20 30 EIEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC001194505817 1052162626 /nfs/dbraw/zinc/16/26/26/1052162626.db2.gz VLYUXGJXUOUPSP-JOCHJYFZSA-N 1 0 348.446 4.037 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@]2(C)CCCc3ccccc32)cc1 ZINC000774827580 1052164750 /nfs/dbraw/zinc/16/47/50/1052164750.db2.gz PCHMKRHHXJEHNM-VGOFRKELSA-N 1 0 334.463 4.361 20 30 EIEDRO N#Cc1c(N)sc2c1CC[N@@H+](Cc1ccc(C3CCCC3)cc1)C2 ZINC001176777423 1052189499 /nfs/dbraw/zinc/18/94/99/1052189499.db2.gz NCWFPDLCGNFZNC-UHFFFAOYSA-N 1 0 337.492 4.418 20 30 EIEDRO COc1cccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)c1 ZINC000774854813 1052211500 /nfs/dbraw/zinc/21/15/00/1052211500.db2.gz IUZFECKOWZNCBY-ZDUSSCGKSA-N 1 0 330.815 4.102 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cncn3C(C)(C)C)C2)cc1C#N ZINC001176990140 1052213578 /nfs/dbraw/zinc/21/35/78/1052213578.db2.gz CUGGXBJMLLIQLM-GOSISDBHSA-N 1 0 336.483 4.198 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)ccc1C#N ZINC000774913994 1052282107 /nfs/dbraw/zinc/28/21/07/1052282107.db2.gz UGGQVVYDXCXIKT-RTWAWAEBSA-N 1 0 338.426 4.094 20 30 EIEDRO C=CC1CC[NH+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)CC1 ZINC000171953347 1052463484 /nfs/dbraw/zinc/46/34/84/1052463484.db2.gz HEVIJGAIWAKRKL-UHFFFAOYSA-N 1 0 344.480 4.225 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000174324620 1052565099 /nfs/dbraw/zinc/56/50/99/1052565099.db2.gz OQDBJOUCBHDWRJ-UHFFFAOYSA-N 1 0 332.451 4.445 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CCC(F)(F)C2)cc1OC ZINC000623450960 1052658774 /nfs/dbraw/zinc/65/87/74/1052658774.db2.gz DZVSPQUEDPTMLZ-LBPRGKRZSA-N 1 0 331.790 4.191 20 30 EIEDRO CN(Cc1cccc(OCCCC#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC000181012009 1052873474 /nfs/dbraw/zinc/87/34/74/1052873474.db2.gz MVUCJYSVSULCSE-UHFFFAOYSA-N 1 0 348.368 4.418 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000181986020 1052907617 /nfs/dbraw/zinc/90/76/17/1052907617.db2.gz REFHLQIGCXLGSF-CQSZACIVSA-N 1 0 328.337 4.279 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1F ZINC000182028418 1052910060 /nfs/dbraw/zinc/91/00/60/1052910060.db2.gz DBABDBJSGOASKA-CQSZACIVSA-N 1 0 326.415 4.486 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1F ZINC000182028402 1052910161 /nfs/dbraw/zinc/91/01/61/1052910161.db2.gz DBABDBJSGOASKA-AWEZNQCLSA-N 1 0 326.415 4.486 20 30 EIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC#Cc2ccc(Cl)cc2)c1 ZINC000182554946 1052941082 /nfs/dbraw/zinc/94/10/82/1052941082.db2.gz SWEYXVWFYKOYRT-AWEZNQCLSA-N 1 0 326.827 4.001 20 30 EIEDRO C=CCC[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000184091583 1052991923 /nfs/dbraw/zinc/99/19/23/1052991923.db2.gz IRFYLOXZDMGHBH-KRWDZBQOSA-N 1 0 329.419 4.143 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](C)c2nc(C)cs2)ccc1OC ZINC000184111596 1052992604 /nfs/dbraw/zinc/99/26/04/1052992604.db2.gz LCXFGIXUYMRUAC-CQSZACIVSA-N 1 0 346.496 4.308 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](O)c3ccc4ccccc4c3)cc2)CC1 ZINC000850129585 1053075410 /nfs/dbraw/zinc/07/54/10/1053075410.db2.gz UXHGKNSETAYBAW-JOCHJYFZSA-N 1 0 342.442 4.218 20 30 EIEDRO CCCn1nccc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000850152864 1053078737 /nfs/dbraw/zinc/07/87/37/1053078737.db2.gz LNXUAIUHVYMSKK-UHFFFAOYSA-N 1 0 336.464 4.183 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H](O)c1ccccc1 ZINC000850280869 1053104365 /nfs/dbraw/zinc/10/43/65/1053104365.db2.gz KOZRSFQQOVKJEU-RTWAWAEBSA-N 1 0 334.463 4.090 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000775615933 1053112184 /nfs/dbraw/zinc/11/21/84/1053112184.db2.gz VOXMBFFQDRHCBH-RBUKOAKNSA-N 1 0 338.451 4.169 20 30 EIEDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000850343438 1053123208 /nfs/dbraw/zinc/12/32/08/1053123208.db2.gz SWQPWYRILFEHIW-KXBFYZLASA-N 1 0 326.415 4.227 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000764526987 1053156035 /nfs/dbraw/zinc/15/60/35/1053156035.db2.gz LXPYTNIMCWMFLO-CQSZACIVSA-N 1 0 345.826 4.397 20 30 EIEDRO CCCCCCCCCCOC(=O)NCc1cncn1CCF ZINC001194928837 1053174680 /nfs/dbraw/zinc/17/46/80/1053174680.db2.gz HORDGCNMQZYVBI-UHFFFAOYSA-N 1 0 327.444 4.220 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](O)c1ccc(Cl)cc1 ZINC000850413109 1053188443 /nfs/dbraw/zinc/18/84/43/1053188443.db2.gz NAPXWYCTODYBNW-RTBURBONSA-N 1 0 328.843 4.059 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850427265 1053207053 /nfs/dbraw/zinc/20/70/53/1053207053.db2.gz QGEZJYDNRYJRMP-YLJYHZDGSA-N 1 0 346.490 4.011 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000850480683 1053252713 /nfs/dbraw/zinc/25/27/13/1053252713.db2.gz BNOYVEXZHBPAPK-MDZRGWNJSA-N 1 0 328.456 4.429 20 30 EIEDRO CC(C)(C)C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1(C)C ZINC001195064796 1053253379 /nfs/dbraw/zinc/25/33/79/1053253379.db2.gz MAVRDJMLDAYHAX-INIZCTEOSA-N 1 0 327.472 4.033 20 30 EIEDRO C=CCCOc1ccc(C(=O)N[C@H]2CC[C@@H]([NH+](CC)CC)CC2)cc1 ZINC001195142154 1053290946 /nfs/dbraw/zinc/29/09/46/1053290946.db2.gz YNLPXCOEGODGOL-KDURUIRLSA-N 1 0 344.499 4.024 20 30 EIEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cc(Br)ccc1O ZINC000850551189 1053306648 /nfs/dbraw/zinc/30/66/48/1053306648.db2.gz RNYSFZNZHKAKCO-GFCCVEGCSA-N 1 0 337.261 4.279 20 30 EIEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001195277088 1053355648 /nfs/dbraw/zinc/35/56/48/1053355648.db2.gz DUYUGURMEQWQHA-DOTOQJQBSA-N 1 0 347.890 4.297 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC001195358097 1053380175 /nfs/dbraw/zinc/38/01/75/1053380175.db2.gz LACGDFWZDMZXNW-CQSZACIVSA-N 1 0 325.374 4.495 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000776499965 1053383747 /nfs/dbraw/zinc/38/37/47/1053383747.db2.gz ZOWGGIZVTHBZIX-LJQANCHMSA-N 1 0 341.838 4.356 20 30 EIEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2C[C@@H](C)C[C@H]2C)c1=S ZINC000765027300 1053417949 /nfs/dbraw/zinc/41/79/49/1053417949.db2.gz GZTWCGACDIGJEU-JKSUJKDBSA-N 1 0 342.512 4.263 20 30 EIEDRO COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1Cl ZINC000765015996 1053422806 /nfs/dbraw/zinc/42/28/06/1053422806.db2.gz USKDOWCEKRAEBK-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000851204323 1053437658 /nfs/dbraw/zinc/43/76/58/1053437658.db2.gz OPPVGOPIEQSDNM-KRWDZBQOSA-N 1 0 342.483 4.160 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000765330811 1053506374 /nfs/dbraw/zinc/50/63/74/1053506374.db2.gz KIMOABWTKWFZRU-HZPDHXFCSA-N 1 0 330.435 4.464 20 30 EIEDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C12CCC2 ZINC001196125639 1053597163 /nfs/dbraw/zinc/59/71/63/1053597163.db2.gz SBDMFEQJSKPZIM-IAGOWNOFSA-N 1 0 332.875 4.428 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2ccc3ccccc3n2)c1 ZINC000338950829 1053598825 /nfs/dbraw/zinc/59/88/25/1053598825.db2.gz FXURYNUGBXKHJV-UHFFFAOYSA-N 1 0 345.446 4.250 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)s1 ZINC000865831444 1053603382 /nfs/dbraw/zinc/60/33/82/1053603382.db2.gz WFYDZAWFQZORQA-SJORKVTESA-N 1 0 332.856 4.283 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc2c(c1)CCCO2 ZINC000852780006 1053610079 /nfs/dbraw/zinc/61/00/79/1053610079.db2.gz KXACMMQNSDQMOG-CYBMUJFWSA-N 1 0 326.827 4.387 20 30 EIEDRO CC1(C)CCCC[C@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC001196218281 1053613792 /nfs/dbraw/zinc/61/37/92/1053613792.db2.gz OETHCHBELXXOTR-IBGZPJMESA-N 1 0 326.484 4.370 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853094295 1053642266 /nfs/dbraw/zinc/64/22/66/1053642266.db2.gz APTUSFYPQHEARQ-HOTGVXAUSA-N 1 0 336.435 4.153 20 30 EIEDRO C[C@H](CCc1cncc2ccccc21)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000866294761 1053680601 /nfs/dbraw/zinc/68/06/01/1053680601.db2.gz MKZKJUVHLJMZNX-QGZVFWFLSA-N 1 0 345.446 4.248 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C2(C)OCCO2)cc1)c1ccc(C#N)cc1 ZINC000866421615 1053724001 /nfs/dbraw/zinc/72/40/01/1053724001.db2.gz AJBIPSRDIJOMBL-HXUWFJFHSA-N 1 0 336.435 4.019 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C(C)(C)C1 ZINC000866465902 1053741460 /nfs/dbraw/zinc/74/14/60/1053741460.db2.gz MTOOIGIGFDFJMI-NGEICVOHSA-N 1 0 349.519 4.084 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cccc(OC)c1OC ZINC000866507758 1053756520 /nfs/dbraw/zinc/75/65/20/1053756520.db2.gz HIMHZIYFOSHXHF-RBUKOAKNSA-N 1 0 336.435 4.304 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@](C)(CC)c2ccc(F)cc2)cc1 ZINC001196818183 1053781651 /nfs/dbraw/zinc/78/16/51/1053781651.db2.gz HOAUMFDLJGAPTG-NRFANRHFSA-N 1 0 338.426 4.051 20 30 EIEDRO CCOCC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC001196888483 1053791073 /nfs/dbraw/zinc/79/10/73/1053791073.db2.gz OCNMNQHZNPSZSH-QFIPXVFZSA-N 1 0 334.463 4.393 20 30 EIEDRO N#Cc1ccc(-c2ccc(N3C[C@H](CC[NH3+])c4ccccc43)cc2)o1 ZINC001168548190 1053795822 /nfs/dbraw/zinc/79/58/22/1053795822.db2.gz FDHWVJOGJDZUGY-INIZCTEOSA-N 1 0 329.403 4.402 20 30 EIEDRO Cc1cc(N(C)C)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776766051 1053861216 /nfs/dbraw/zinc/86/12/16/1053861216.db2.gz PHAORSQSPXEZLE-UHFFFAOYSA-N 1 0 348.494 4.009 20 30 EIEDRO Cc1cc2ccccc2nc1N=NC1CC[NH+](Cc2ccccn2)CC1 ZINC000776785231 1053870895 /nfs/dbraw/zinc/87/08/95/1053870895.db2.gz ULYBLPHNAXAGCE-UHFFFAOYSA-N 1 0 345.450 4.002 20 30 EIEDRO Clc1ccc(C#CC[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC001197283304 1053875445 /nfs/dbraw/zinc/87/54/45/1053875445.db2.gz AKRSXGVFTDIVAP-LJQANCHMSA-N 1 0 331.887 4.220 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000776800399 1053890905 /nfs/dbraw/zinc/89/09/05/1053890905.db2.gz MQPJWYPBFPIBJS-QGZVFWFLSA-N 1 0 332.806 4.450 20 30 EIEDRO C[N@H+](Cc1ccccc1)C1CCC(N=Nc2cccc(F)n2)CC1 ZINC000795008892 1053896132 /nfs/dbraw/zinc/89/61/32/1053896132.db2.gz RPUAMNJCUSNNLQ-UHFFFAOYSA-N 1 0 326.419 4.063 20 30 EIEDRO CN(CCc1ccc(C#N)cc1)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001197423710 1053903882 /nfs/dbraw/zinc/90/38/82/1053903882.db2.gz WWOQBIFDDQDPBP-QHCPKHFHSA-N 1 0 347.506 4.087 20 30 EIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000921596300 1053913278 /nfs/dbraw/zinc/91/32/78/1053913278.db2.gz MQKSRMQQTIKIIY-NSHDSACASA-N 1 0 340.370 4.412 20 30 EIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(OCC#N)cc2)s1 ZINC000265979216 1053915220 /nfs/dbraw/zinc/91/52/20/1053915220.db2.gz DNZUAFVBKBCGEV-CQSZACIVSA-N 1 0 329.469 4.109 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H]2CCc3cc(Br)ccc32)cs1 ZINC000921612719 1053918628 /nfs/dbraw/zinc/91/86/28/1053918628.db2.gz DRJPTFURLOSDKZ-HNNXBMFYSA-N 1 0 333.254 4.159 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000113317186 1053918770 /nfs/dbraw/zinc/91/87/70/1053918770.db2.gz SYMMMVGASVPWPX-GOSISDBHSA-N 1 0 327.424 4.164 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000466790554 1053930165 /nfs/dbraw/zinc/93/01/65/1053930165.db2.gz PGKFKZZQCSDIGO-MAUKXSAKSA-N 1 0 334.891 4.195 20 30 EIEDRO C#CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001197700978 1053975295 /nfs/dbraw/zinc/97/52/95/1053975295.db2.gz BNROCJRQDWAOAN-KRWDZBQOSA-N 1 0 346.434 4.386 20 30 EIEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C1 ZINC001197701381 1053976003 /nfs/dbraw/zinc/97/60/03/1053976003.db2.gz HNLWGCKOUGXYDN-LBPRGKRZSA-N 1 0 329.387 4.152 20 30 EIEDRO C#CCCC[N@H+]1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000795122008 1054100477 /nfs/dbraw/zinc/10/04/77/1054100477.db2.gz MSEYOURJNHTSCL-QFIPXVFZSA-N 1 0 326.528 4.065 20 30 EIEDRO C[C@@H]([NH2+]CCCSCC#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856779516 1054109463 /nfs/dbraw/zinc/10/94/63/1054109463.db2.gz XVWHXPGLQLIVRM-SECBINFHSA-N 1 0 337.798 4.051 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CC[C@H]2CC2(Cl)Cl)c1 ZINC000856806767 1054112925 /nfs/dbraw/zinc/11/29/25/1054112925.db2.gz HREYQCZRJAHXER-AWEZNQCLSA-N 1 0 327.255 4.043 20 30 EIEDRO CC(C)(C)[C@@]1(C=NOC2CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000857211112 1054200810 /nfs/dbraw/zinc/20/08/10/1054200810.db2.gz ASWROQQOFOQVSZ-OAQYLSRUSA-N 1 0 344.499 4.106 20 30 EIEDRO CC(=O)[C@](C#N)(CCSCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000871662051 1054241881 /nfs/dbraw/zinc/24/18/81/1054241881.db2.gz KVASBTPHPFHDNI-HXUWFJFHSA-N 1 0 346.540 4.279 20 30 EIEDRO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000871877188 1054317137 /nfs/dbraw/zinc/31/71/37/1054317137.db2.gz AISFQGIIPLCHCC-UONOGXRCSA-N 1 0 341.842 4.198 20 30 EIEDRO Fc1cc(C[NH2+]C2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)ccn1 ZINC000858092167 1054414433 /nfs/dbraw/zinc/41/44/33/1054414433.db2.gz QHXDSTLFLZUNCW-UWVGGRQHSA-N 1 0 344.274 4.220 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)CCSC)cc1OC ZINC000858142215 1054423468 /nfs/dbraw/zinc/42/34/68/1054423468.db2.gz WGLSWGWAIJKBDM-LBPRGKRZSA-N 1 0 329.893 4.145 20 30 EIEDRO Fc1cc(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)ccn1 ZINC000858192081 1054435433 /nfs/dbraw/zinc/43/54/33/1054435433.db2.gz GIMIZZGJIPSQLF-UHFFFAOYSA-N 1 0 332.263 4.364 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000776016655 1054449413 /nfs/dbraw/zinc/44/94/13/1054449413.db2.gz QTRBBIHMTGMSPH-IBGZPJMESA-N 1 0 326.827 4.483 20 30 EIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000858259190 1054449551 /nfs/dbraw/zinc/44/95/51/1054449551.db2.gz VUDBNQWMBANSOQ-MISYRCLQSA-N 1 0 344.499 4.441 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)cc1C#N ZINC000858382690 1054478748 /nfs/dbraw/zinc/47/87/48/1054478748.db2.gz KMABIYBCNYVIOA-KRWDZBQOSA-N 1 0 330.790 4.136 20 30 EIEDRO Cc1sc(C[NH2+]Cc2ccc(CC#N)cc2)cc1Br ZINC000873134023 1054490955 /nfs/dbraw/zinc/49/09/55/1054490955.db2.gz MIQGHPSHZLKZTK-UHFFFAOYSA-N 1 0 335.270 4.175 20 30 EIEDRO C#Cc1ccc(C[NH2+]CC(C)(C)c2cccc(Br)c2)cc1 ZINC001199942726 1054492638 /nfs/dbraw/zinc/49/26/38/1054492638.db2.gz ZIAWOASOMCXWKI-UHFFFAOYSA-N 1 0 342.280 4.498 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000105463216 1054523215 /nfs/dbraw/zinc/52/32/15/1054523215.db2.gz HHRDXSIPGQHMRQ-MRXNPFEDSA-N 1 0 338.451 4.053 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(OCC)cc2)cc(OC)c1OC ZINC000105478323 1054525951 /nfs/dbraw/zinc/52/59/51/1054525951.db2.gz CEZZCEWPAQNADQ-UHFFFAOYSA-N 1 0 341.451 4.121 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCc2nc(C(C)(C)C)cs2)cc1 ZINC000105497684 1054530027 /nfs/dbraw/zinc/53/00/27/1054530027.db2.gz MZSDDRGCYXKBPD-CQSZACIVSA-N 1 0 343.496 4.064 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000124932704 1054648427 /nfs/dbraw/zinc/64/84/27/1054648427.db2.gz REBXQHBSFJUZCK-KBPBESRZSA-N 1 0 330.378 4.449 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)cc1 ZINC000859416726 1054673765 /nfs/dbraw/zinc/67/37/65/1054673765.db2.gz UHLPAOWQQPZDRH-QGZVFWFLSA-N 1 0 342.389 4.247 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)ccc2F)ccc1OC ZINC000116917681 1054715838 /nfs/dbraw/zinc/71/58/38/1054715838.db2.gz JJSGEUVDRUYPNU-KRWDZBQOSA-N 1 0 342.414 4.114 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Br)cc1F)c1cccc(C#N)c1 ZINC000776155229 1054740916 /nfs/dbraw/zinc/74/09/16/1054740916.db2.gz DSVKYTAGUHNFMR-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Oc1cccc(C)c1 ZINC000776167558 1054799171 /nfs/dbraw/zinc/79/91/71/1054799171.db2.gz FWPLPDVFPWJXOS-IEBWSBKVSA-N 1 0 338.451 4.406 20 30 EIEDRO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](C[C@H](C)CCC=C(C)C)C2 ZINC001201487183 1054815268 /nfs/dbraw/zinc/81/52/68/1054815268.db2.gz QYERUGVQVMMPFF-CTNGQTDRSA-N 1 0 332.532 4.402 20 30 EIEDRO COc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C#N)c1 ZINC001201474806 1054826870 /nfs/dbraw/zinc/82/68/70/1054826870.db2.gz LMMUCCYJTHEWAR-UXHICEINSA-N 1 0 345.446 4.300 20 30 EIEDRO COc1ccc(C#N)cc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201478099 1054831185 /nfs/dbraw/zinc/83/11/85/1054831185.db2.gz VQBWMKHEOMREMU-UXHICEINSA-N 1 0 345.446 4.300 20 30 EIEDRO C=CCc1cc(C[NH2+]CCc2c(C)cc(C)cc2C)cc(OC)c1O ZINC001201601205 1054862655 /nfs/dbraw/zinc/86/26/55/1054862655.db2.gz USTUCSLPMHBEPT-UHFFFAOYSA-N 1 0 339.479 4.387 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001201762804 1054899423 /nfs/dbraw/zinc/89/94/23/1054899423.db2.gz WBRYBHUOJYDYEF-NRFANRHFSA-N 1 0 346.490 4.221 20 30 EIEDRO CCCCCCC[N@H+]1Cc2c(cnn2CC2CC2)[C@@H](COCC)C1 ZINC001201762253 1054899917 /nfs/dbraw/zinc/89/99/17/1054899917.db2.gz CPKIPNVFEQNYJJ-GOSISDBHSA-N 1 0 333.520 4.199 20 30 EIEDRO CCCCCCC[NH+]1CCC2(C[C@H](Oc3cccnc3)CO2)CC1 ZINC001201762593 1054900988 /nfs/dbraw/zinc/90/09/88/1054900988.db2.gz QFSUUFMQFOBDLJ-IBGZPJMESA-N 1 0 332.488 4.054 20 30 EIEDRO CCCCCCCC[N@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001201813187 1054911499 /nfs/dbraw/zinc/91/14/99/1054911499.db2.gz BXRQEADBASAMGN-IBGZPJMESA-N 1 0 333.520 4.102 20 30 EIEDRO CCCCCCCC[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001201814406 1054911694 /nfs/dbraw/zinc/91/16/94/1054911694.db2.gz OYYTUTCZTJLAMK-IBGZPJMESA-N 1 0 333.520 4.102 20 30 EIEDRO CCCCCCCC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001201804437 1054911972 /nfs/dbraw/zinc/91/19/72/1054911972.db2.gz JWLIPCXKZDJFOC-BGYRXZFFSA-N 1 0 328.500 4.051 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(C[C@@H](Oc3cccnc3)CO2)CC1 ZINC001201804898 1054912399 /nfs/dbraw/zinc/91/23/99/1054912399.db2.gz WKSLIXYZQZHZQV-HXUWFJFHSA-N 1 0 346.515 4.444 20 30 EIEDRO CCCCCCCCC[NH+]1CCC2(CC1)OC(=O)c1ccncc12 ZINC001201852781 1054923451 /nfs/dbraw/zinc/92/34/51/1054923451.db2.gz LIIAYNFMJGSFEU-UHFFFAOYSA-N 1 0 330.472 4.294 20 30 EIEDRO CCCCCCCCC[NH+]1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001201852771 1054923689 /nfs/dbraw/zinc/92/36/89/1054923689.db2.gz KWTIZVHZFBGTCZ-UHFFFAOYSA-N 1 0 334.548 4.462 20 30 EIEDRO CCCCCCCCC[NH+]1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001201838708 1054931636 /nfs/dbraw/zinc/93/16/36/1054931636.db2.gz DPCRZGIVZHTKBN-NHCUHLMSSA-N 1 0 329.532 4.196 20 30 EIEDRO CCCCCCCCC[N@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001201839623 1054932052 /nfs/dbraw/zinc/93/20/52/1054932052.db2.gz OMXVXUFVUHYUMI-FQEVSTJZSA-N 1 0 347.547 4.492 20 30 EIEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CCCCCCCCC ZINC001201847267 1054933408 /nfs/dbraw/zinc/93/34/08/1054933408.db2.gz UIIKCZHTEJKQQB-IBGZPJMESA-N 1 0 333.520 4.273 20 30 EIEDRO CCCCCCCCCC[N@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001201874800 1054940758 /nfs/dbraw/zinc/94/07/58/1054940758.db2.gz GXRBTLUHPJEALH-IBGZPJMESA-N 1 0 335.536 4.497 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000876639467 1054942889 /nfs/dbraw/zinc/94/28/89/1054942889.db2.gz FOBJXRWHWBRIIR-QMMMGPOBSA-N 1 0 341.210 4.063 20 30 EIEDRO C=CCOc1cccc(C[NH2+]CC2(c3ccccc3OC)CCC2)c1 ZINC001201930080 1054943661 /nfs/dbraw/zinc/94/36/61/1054943661.db2.gz UTTUSGJXYLQDCL-UHFFFAOYSA-N 1 0 337.463 4.472 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000876793198 1054958871 /nfs/dbraw/zinc/95/88/71/1054958871.db2.gz IWHIPGZQHJLPTI-SJLPKXTDSA-N 1 0 328.481 4.224 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000876807525 1054959710 /nfs/dbraw/zinc/95/97/10/1054959710.db2.gz GCMPNQJGYGWEJS-LPHOPBHVSA-N 1 0 328.481 4.224 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000877012540 1055000485 /nfs/dbraw/zinc/00/04/85/1055000485.db2.gz WNGPVHURHNYGLV-QGZVFWFLSA-N 1 0 329.806 4.377 20 30 EIEDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001202092008 1055027808 /nfs/dbraw/zinc/02/78/08/1055027808.db2.gz BAMQHJVXXONSCN-KYBDOYODSA-N 1 0 326.484 4.432 20 30 EIEDRO C#CCCCCCC[NH2+][C@@H](c1nc(-c2ccncc2)no1)C(C)C ZINC000877148424 1055027821 /nfs/dbraw/zinc/02/78/21/1055027821.db2.gz KFKBFYYSAQDJRQ-QGZVFWFLSA-N 1 0 326.444 4.002 20 30 EIEDRO Cc1ccc(Oc2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2)c(C)c1 ZINC000877233794 1055036466 /nfs/dbraw/zinc/03/64/66/1055036466.db2.gz JSNJAEZLLBCYJX-GOSISDBHSA-N 1 0 337.423 4.055 20 30 EIEDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000877503399 1055066952 /nfs/dbraw/zinc/06/69/52/1055066952.db2.gz LBCZLZQGTDHFOD-QKVFXAPYSA-N 1 0 328.780 4.024 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC001202193943 1055079150 /nfs/dbraw/zinc/07/91/50/1055079150.db2.gz LDGAPZDSTKBWED-IRLDBZIGSA-N 1 0 337.463 4.336 20 30 EIEDRO COC(=O)CCC[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001202252191 1055096797 /nfs/dbraw/zinc/09/67/97/1055096797.db2.gz DDIQNEVIBFCOTD-QGZVFWFLSA-N 1 0 336.435 4.075 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC001202259315 1055101816 /nfs/dbraw/zinc/10/18/16/1055101816.db2.gz PWBFQMLBWXVELW-FXAWDEMLSA-N 1 0 337.442 4.189 20 30 EIEDRO C[C@@H]1CC[N@H+](CCOCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339045548 1055113465 /nfs/dbraw/zinc/11/34/65/1055113465.db2.gz UVHSTENFIIFPDQ-CJNGLKHVSA-N 1 0 326.362 4.019 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1cc(F)cc(NC(=O)OC(C)(C)C)c1 ZINC000877809917 1055125613 /nfs/dbraw/zinc/12/56/13/1055125613.db2.gz ZGAFMCBFSDUZFU-CYBMUJFWSA-N 1 0 335.423 4.202 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000877902892 1055149464 /nfs/dbraw/zinc/14/94/64/1055149464.db2.gz HVKCIQFAWDGFHB-PKTZIBPZSA-N 1 0 346.474 4.436 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000877916147 1055152784 /nfs/dbraw/zinc/15/27/84/1055152784.db2.gz YMDLOBKIUMBIOL-DHIUTWEWSA-N 1 0 346.474 4.134 20 30 EIEDRO C=CCC[C@H](CO)[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001202382332 1055158198 /nfs/dbraw/zinc/15/81/98/1055158198.db2.gz XQMAHRMRRREJAQ-LJQANCHMSA-N 1 0 331.406 4.013 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000877960771 1055163289 /nfs/dbraw/zinc/16/32/89/1055163289.db2.gz BOTGYPVUIOUUBN-UXHICEINSA-N 1 0 338.476 4.326 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H](C)c1ccccc1C)c1ccccc1 ZINC000877987257 1055169064 /nfs/dbraw/zinc/16/90/64/1055169064.db2.gz CJHHKEKLIHNBPN-XMSQKQJNSA-N 1 0 334.463 4.429 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@H+](Cc1ccccc1C)C1CC1)c1ccccc1 ZINC000878002841 1055171093 /nfs/dbraw/zinc/17/10/93/1055171093.db2.gz LUQBMITVCRZPIW-QHCPKHFHSA-N 1 0 346.474 4.400 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)cc1 ZINC001202467142 1055183321 /nfs/dbraw/zinc/18/33/21/1055183321.db2.gz VFZQJTNCEBROFN-QGZVFWFLSA-N 1 0 344.227 4.347 20 30 EIEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878132358 1055191506 /nfs/dbraw/zinc/19/15/06/1055191506.db2.gz SODUMZNHWAJONE-GOTSBHOMSA-N 1 0 348.490 4.380 20 30 EIEDRO C#CCCCCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000878249997 1055222259 /nfs/dbraw/zinc/22/22/59/1055222259.db2.gz WOODZFZICQFTKK-INIZCTEOSA-N 1 0 325.456 4.130 20 30 EIEDRO C=CC[C@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)c1ccncc1 ZINC000863552925 1055228503 /nfs/dbraw/zinc/22/85/03/1055228503.db2.gz QRLXMBQXGWXAQO-IRQNMHNUSA-N 1 0 336.479 4.377 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H](C)Cc1ccccc1C)c1ccccc1 ZINC000878520014 1055332665 /nfs/dbraw/zinc/33/26/65/1055332665.db2.gz FKRDUFXQSDCBMN-CVDCTZTESA-N 1 0 348.490 4.299 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000765800021 1055349198 /nfs/dbraw/zinc/34/91/98/1055349198.db2.gz MBHCCFJFTDCBDA-APWZRJJASA-N 1 0 345.870 4.072 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000878649129 1055366324 /nfs/dbraw/zinc/36/63/24/1055366324.db2.gz XKKCMJWVRQGJTD-GMAHTHKFSA-N 1 0 346.474 4.307 20 30 EIEDRO C=C(C)COCC[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000090451168 1055518256 /nfs/dbraw/zinc/51/82/56/1055518256.db2.gz UETSNUCACRIEJG-OAHLLOKOSA-N 1 0 330.497 4.286 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000542678656 1055817592 /nfs/dbraw/zinc/81/75/92/1055817592.db2.gz AYEFEIZYPYOTSN-ROOHIHILSA-N 1 0 342.389 4.407 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1ccc(C#N)cn1)c1ccccc1Cl ZINC000301059962 1055892059 /nfs/dbraw/zinc/89/20/59/1055892059.db2.gz ACSRLAPCACDNBT-KRWDZBQOSA-N 1 0 328.847 4.102 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000301319099 1055919499 /nfs/dbraw/zinc/91/94/99/1055919499.db2.gz QMVMCEMWINDJAX-LBPRGKRZSA-N 1 0 346.887 4.306 20 30 EIEDRO CC(C)[NH+]1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301366137 1055926375 /nfs/dbraw/zinc/92/63/75/1055926375.db2.gz SGVKSZHJTXQSOZ-UHFFFAOYSA-N 1 0 328.847 4.045 20 30 EIEDRO C[NH+](C)[C@@H](CNc1ccc(C(F)(F)F)cc1C#N)c1cccs1 ZINC000301456455 1055939479 /nfs/dbraw/zinc/93/94/79/1055939479.db2.gz CDUPXQPVPCOGDD-AWEZNQCLSA-N 1 0 339.386 4.353 20 30 EIEDRO CC(C)C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301472377 1055941122 /nfs/dbraw/zinc/94/11/22/1055941122.db2.gz KTUDEVRZJSMHIN-UHFFFAOYSA-N 1 0 325.378 4.109 20 30 EIEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000301492368 1055942002 /nfs/dbraw/zinc/94/20/02/1055942002.db2.gz IAEOJLMTFXJPEX-CHWSQXEVSA-N 1 0 343.298 4.457 20 30 EIEDRO N#Cc1cnc2ccccc2c1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000301510594 1055943853 /nfs/dbraw/zinc/94/38/53/1055943853.db2.gz BFBSUKPIXJJHGS-GOSISDBHSA-N 1 0 348.494 4.199 20 30 EIEDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000301518501 1055944523 /nfs/dbraw/zinc/94/45/23/1055944523.db2.gz GZUVKDUBRKFZHY-LSDHHAIUSA-N 1 0 328.847 4.045 20 30 EIEDRO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000301699527 1055969437 /nfs/dbraw/zinc/96/94/37/1055969437.db2.gz DZXPYLNAQKKCDS-IRLDBZIGSA-N 1 0 331.463 4.049 20 30 EIEDRO C[NH+](C)[C@@H](CNc1cc(C#N)ccc1C(F)(F)F)c1cccs1 ZINC000301714352 1055972043 /nfs/dbraw/zinc/97/20/43/1055972043.db2.gz JFHBGVYQUNVIIX-AWEZNQCLSA-N 1 0 339.386 4.353 20 30 EIEDRO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)c2ccc(C#N)cc2)s1 ZINC000273607278 1056000850 /nfs/dbraw/zinc/00/08/50/1056000850.db2.gz MUPDSYNAHBAHNC-SECBINFHSA-N 1 0 325.359 4.193 20 30 EIEDRO C[NH+](C)CCCC1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301934019 1056001423 /nfs/dbraw/zinc/00/14/23/1056001423.db2.gz QDNVTMQPONPPAP-UHFFFAOYSA-N 1 0 339.405 4.135 20 30 EIEDRO CCc1ccc([C@H](CNc2cc(C(C)=O)ccc2C#N)[NH+](C)C)cc1 ZINC000302008877 1056007212 /nfs/dbraw/zinc/00/72/12/1056007212.db2.gz BOUQYZBQRFDWSA-NRFANRHFSA-N 1 0 335.451 4.038 20 30 EIEDRO CC1CC[NH+](C[C@@H]2CCCN(c3cc(C#N)nc4ccccc43)C2)CC1 ZINC000301997550 1056007605 /nfs/dbraw/zinc/00/76/05/1056007605.db2.gz UMMQMYLQANZJFR-SFHVURJKSA-N 1 0 348.494 4.055 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000302061525 1056012845 /nfs/dbraw/zinc/01/28/45/1056012845.db2.gz RHUWWILXFWBYEY-ROUUACIJSA-N 1 0 348.494 4.197 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000302085577 1056014754 /nfs/dbraw/zinc/01/47/54/1056014754.db2.gz DVUHPMWHLFOFBG-OXJNMPFZSA-N 1 0 347.462 4.226 20 30 EIEDRO N#Cc1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1C(F)(F)F ZINC000302190685 1056029179 /nfs/dbraw/zinc/02/91/79/1056029179.db2.gz KYBZKYCOPULBMU-INIZCTEOSA-N 1 0 337.389 4.032 20 30 EIEDRO N#Cc1cccc(C#N)c1NCc1ccccc1C[NH+]1CCCCC1 ZINC000302479469 1056047801 /nfs/dbraw/zinc/04/78/01/1056047801.db2.gz WAUXMLRHKFXUDE-UHFFFAOYSA-N 1 0 330.435 4.028 20 30 EIEDRO C[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)C[NH+]1CCCCC1 ZINC000303483345 1056199936 /nfs/dbraw/zinc/19/99/36/1056199936.db2.gz UEQUYMDECCMAHI-ZDUSSCGKSA-N 1 0 325.378 4.111 20 30 EIEDRO COc1ccc(C[NH+]2CCC(CC#N)CC2)cc1OCCC(C)C ZINC000542854208 1056280921 /nfs/dbraw/zinc/28/09/21/1056280921.db2.gz PAGOEYGIGMTQLH-UHFFFAOYSA-N 1 0 330.472 4.246 20 30 EIEDRO Cc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)C(C)(C)C)c1 ZINC001168656912 1056374341 /nfs/dbraw/zinc/37/43/41/1056374341.db2.gz IYCWWWWUYOCUCK-FQEVSTJZSA-N 1 0 335.451 4.182 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000554845907 1056383868 /nfs/dbraw/zinc/38/38/68/1056383868.db2.gz HJKPPVWNMAPTOU-MRXNPFEDSA-N 1 0 338.373 4.121 20 30 EIEDRO COCc1cccc(OCC2(C[NH+]3CCC(CC#N)CC3)CCC2)c1 ZINC000542878616 1056396976 /nfs/dbraw/zinc/39/69/76/1056396976.db2.gz IVCSFYKUFOFUJY-UHFFFAOYSA-N 1 0 342.483 4.008 20 30 EIEDRO CC[N@H+](Cc1cc(F)cc2c1OCOC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477458 1056459241 /nfs/dbraw/zinc/45/92/41/1056459241.db2.gz BQPAEAUELFEZCA-AWEZNQCLSA-N 1 0 340.398 4.147 20 30 EIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCCCCCC1)CCCC2 ZINC000007486765 1056800211 /nfs/dbraw/zinc/80/02/11/1056800211.db2.gz UYELVTLNZMHKRN-UHFFFAOYSA-N 1 0 345.512 4.093 20 30 EIEDRO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934025 1056800320 /nfs/dbraw/zinc/80/03/20/1056800320.db2.gz GSULRMJXVNDFQF-DLBZAZTESA-N 1 0 349.478 4.181 20 30 EIEDRO C[N@H+](Cc1ccco1)Cc1ccccc1C/N=C/c1ccccc1O ZINC000741466635 1058224769 /nfs/dbraw/zinc/22/47/69/1058224769.db2.gz YWBCKIGYCMFMDY-HYARGMPZSA-N 1 0 334.419 4.236 20 30 EIEDRO CCCCCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000742484952 1058652766 /nfs/dbraw/zinc/65/27/66/1058652766.db2.gz RJVOWJPFFSPIJA-FQEVSTJZSA-N 1 0 330.516 4.375 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1 ZINC000742710026 1058719610 /nfs/dbraw/zinc/71/96/10/1058719610.db2.gz AQISHBNBKJKJHS-GMAHTHKFSA-N 1 0 349.474 4.265 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc2ccccc2c1 ZINC000743492248 1059030096 /nfs/dbraw/zinc/03/00/96/1059030096.db2.gz RLESSXXXMBLCGG-HZPDHXFCSA-N 1 0 343.430 4.389 20 30 EIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000743868618 1059178723 /nfs/dbraw/zinc/17/87/23/1059178723.db2.gz FBJWSMPETYBXDN-NRFANRHFSA-N 1 0 340.442 4.427 20 30 EIEDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869127 1059182927 /nfs/dbraw/zinc/18/29/27/1059182927.db2.gz LSCYMGCTQGEDOK-JKSUJKDBSA-N 1 0 338.904 4.348 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000744447451 1059525144 /nfs/dbraw/zinc/52/51/44/1059525144.db2.gz KHTGFJRAKIZYLF-BFUOFWGJSA-N 1 0 349.833 4.256 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1c(F)cccc1F ZINC000746153054 1060050227 /nfs/dbraw/zinc/05/02/27/1060050227.db2.gz OVPHELOYCYWJMU-LJQANCHMSA-N 1 0 344.405 4.028 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)cc1 ZINC000746156530 1060052136 /nfs/dbraw/zinc/05/21/36/1060052136.db2.gz LKSLURTTZMJNDN-HSZRJFAPSA-N 1 0 342.442 4.294 20 30 EIEDRO CC(=O)N1CCC[C@H](C[NH2+]C#C[Si](C(C)C)(C(C)C)C(C)C)C1 ZINC001168779710 1060282891 /nfs/dbraw/zinc/28/28/91/1060282891.db2.gz MWKGJNPXTYDJKD-LJQANCHMSA-N 1 0 336.596 4.013 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2nc3ccccc3s2)cc1 ZINC000746404452 1060290560 /nfs/dbraw/zinc/29/05/60/1060290560.db2.gz KRLFDYQUTFVXKT-UHFFFAOYSA-N 1 0 336.460 4.031 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001168839711 1060450296 /nfs/dbraw/zinc/45/02/96/1060450296.db2.gz NBZCVVDXPJXTLX-BPQIPLTHSA-N 1 0 330.472 4.291 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1 ZINC000766598883 1060649587 /nfs/dbraw/zinc/64/95/87/1060649587.db2.gz HMXSVJWGCDKLBT-FZDIXFNVSA-N 1 0 335.875 4.426 20 30 EIEDRO CC1(C)C[C@H](Nc2nc3ccccc3cc2CC#N)C[C@@](C)(C[NH3+])C1 ZINC001169139554 1060656020 /nfs/dbraw/zinc/65/60/20/1060656020.db2.gz BWPQSHHOXLOABE-LAUBAEHRSA-N 1 0 336.483 4.256 20 30 EIEDRO C#CC1([NH2+]C2CCC(OC(=O)c3ccccc3)CC2)CCCCC1 ZINC001169291847 1060749403 /nfs/dbraw/zinc/74/94/03/1060749403.db2.gz ATPDGJXZOFKAJQ-UHFFFAOYSA-N 1 0 325.452 4.080 20 30 EIEDRO C=C(CC)C[NH2+][C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001169270660 1060756531 /nfs/dbraw/zinc/75/65/31/1060756531.db2.gz JCJRJRUCRXASPV-AEFFLSMTSA-N 1 0 338.854 4.085 20 30 EIEDRO C[C@@](C#N)(Nc1ccc([C@@H]2CCC[NH2+]2)cn1)c1ccccc1Cl ZINC001169377031 1060789102 /nfs/dbraw/zinc/78/91/02/1060789102.db2.gz WJGVFXFBNMDWJB-WMZOPIPTSA-N 1 0 326.831 4.010 20 30 EIEDRO C[C@](C#N)(Nc1ccc([C@H]2CCC[NH2+]2)cn1)c1ccccc1Cl ZINC001169377030 1060790570 /nfs/dbraw/zinc/79/05/70/1060790570.db2.gz WJGVFXFBNMDWJB-SJLPKXTDSA-N 1 0 326.831 4.010 20 30 EIEDRO C[NH+](C)/C=C/c1ccncc1N[C@](C)(C#N)c1ccccc1Cl ZINC001169391222 1060805328 /nfs/dbraw/zinc/80/53/28/1060805328.db2.gz UOYJUZBABOTWEW-SXAWMYDMSA-N 1 0 326.831 4.118 20 30 EIEDRO CC[NH+](CC)Cc1ccc(CNc2nc(Cl)c(C#N)s2)cc1 ZINC000804333253 1060869202 /nfs/dbraw/zinc/86/92/02/1060869202.db2.gz WUXXTAREVRKYJF-UHFFFAOYSA-N 1 0 334.876 4.122 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCc3ccccc3[C@@H]2O)cc1 ZINC001169629351 1060877608 /nfs/dbraw/zinc/87/76/08/1060877608.db2.gz TXQLTQOEZCTENV-ZRBLBEILSA-N 1 0 348.490 4.470 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2nc(C#N)ccc2c1 ZINC001169689855 1060902118 /nfs/dbraw/zinc/90/21/18/1060902118.db2.gz IJNNVLABRSLIAU-LJQANCHMSA-N 1 0 328.419 4.347 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC2=CC(=O)CC(C)(C)C2)nc1 ZINC001169946624 1061048013 /nfs/dbraw/zinc/04/80/13/1061048013.db2.gz IIACUBZHUBMCKX-OAHLLOKOSA-N 1 0 327.472 4.141 20 30 EIEDRO C[N@@H+](Cc1ccc(F)cc1Br)CC1CCC(C#N)CC1 ZINC001169953813 1061052060 /nfs/dbraw/zinc/05/20/60/1061052060.db2.gz VKOFMGLZBQRQAB-UHFFFAOYSA-N 1 0 339.252 4.350 20 30 EIEDRO C#CCCC[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000766904482 1061062987 /nfs/dbraw/zinc/06/29/87/1061062987.db2.gz GEAUGPLFVXVQLG-UHFFFAOYSA-N 1 0 343.492 4.223 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1OC ZINC000013725909 258017076 /nfs/dbraw/zinc/01/70/76/258017076.db2.gz YKFMSYDCCIROSP-KRWDZBQOSA-N 1 0 325.452 4.371 20 30 EIEDRO C=CCOc1c(Br)cc(C[NH2+]CCC(C)C)cc1OC ZINC000013724395 258017085 /nfs/dbraw/zinc/01/70/85/258017085.db2.gz ZKUTZCAEHDDJCR-UHFFFAOYSA-N 1 0 342.277 4.158 20 30 EIEDRO C=CCC1(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCCC1 ZINC000449877479 1032094567 /nfs/dbraw/zinc/09/45/67/1032094567.db2.gz QTDAKGJASRCZPJ-SFHVURJKSA-N 1 0 340.511 4.465 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cccc(Cl)c2OC)cc(OC)c1O ZINC000897483856 1032102840 /nfs/dbraw/zinc/10/28/40/1032102840.db2.gz WTWYOBZHGJJSEB-UHFFFAOYSA-N 1 0 347.842 4.081 20 30 EIEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C12CCCC2 ZINC000236976631 1032212075 /nfs/dbraw/zinc/21/20/75/1032212075.db2.gz SRPPWKWRFGIMPU-UXHICEINSA-N 1 0 342.483 4.197 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000057555297 1032219514 /nfs/dbraw/zinc/21/95/14/1032219514.db2.gz ZNXIHBOKFWTELS-DLBZAZTESA-N 1 0 349.478 4.222 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2C[C@@]2(C)c2cccs2)cc1 ZINC000360092418 1032238745 /nfs/dbraw/zinc/23/87/45/1032238745.db2.gz JDBNYOLOPYCUNZ-SIXWZSSISA-N 1 0 326.465 4.106 20 30 EIEDRO C=CCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCCC1 ZINC000450058059 1032241440 /nfs/dbraw/zinc/24/14/40/1032241440.db2.gz GSHDICBPBJIHEE-QUCCMNQESA-N 1 0 340.511 4.292 20 30 EIEDRO COc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3ccccc3F)C2)cc1Cl ZINC000262767619 1032293289 /nfs/dbraw/zinc/29/32/89/1032293289.db2.gz GRIVEFGPMUTBJU-AULYBMBSSA-N 1 0 347.821 4.161 20 30 EIEDRO Cn1cc(C[NH2+][C@H](c2cccs2)c2ccc(Cl)cc2)cc1C#N ZINC000190783276 1032315711 /nfs/dbraw/zinc/31/57/11/1032315711.db2.gz LQEQJHRIKFVMLO-SFHVURJKSA-N 1 0 341.867 4.491 20 30 EIEDRO C=C(C)C[N@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016338882 1032423046 /nfs/dbraw/zinc/42/30/46/1032423046.db2.gz ZHPHZVPLWLQNLB-UHFFFAOYSA-N 1 0 345.512 4.115 20 30 EIEDRO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1OC ZINC000532990394 1032439399 /nfs/dbraw/zinc/43/93/99/1032439399.db2.gz ZJHPCQVVNNMSJQ-CQSZACIVSA-N 1 0 342.414 4.346 20 30 EIEDRO C=CC[NH+]1CCC(N[C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000177912980 1032513433 /nfs/dbraw/zinc/51/34/33/1032513433.db2.gz BMBQNDGYEUZZSW-OAHLLOKOSA-N 1 0 327.497 4.111 20 30 EIEDRO C#CCCCCC(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000121157852 1032546229 /nfs/dbraw/zinc/54/62/29/1032546229.db2.gz IGMNUZUWEABOQQ-UHFFFAOYSA-N 1 0 344.524 4.029 20 30 EIEDRO COc1cc(C[N@H+](C)CC(C)C)ccc1OCc1cccc(C#N)c1 ZINC000533247703 1032564583 /nfs/dbraw/zinc/56/45/83/1032564583.db2.gz WDBQQIIECFERPK-UHFFFAOYSA-N 1 0 338.451 4.234 20 30 EIEDRO C=CCC(C)(C)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000500563282 1032654740 /nfs/dbraw/zinc/65/47/40/1032654740.db2.gz QNLKUJPKSURQEI-HNNXBMFYSA-N 1 0 342.405 4.027 20 30 EIEDRO C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000500561026 1032655955 /nfs/dbraw/zinc/65/59/55/1032655955.db2.gz IXEWGZOTYDOZSW-KRWDZBQOSA-N 1 0 348.494 4.134 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000533361007 1032673770 /nfs/dbraw/zinc/67/37/70/1032673770.db2.gz NUQDVQKWHPAFHE-ARJAWSKDSA-N 1 0 326.440 4.234 20 30 EIEDRO C=C1CCN([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000533419598 1032745635 /nfs/dbraw/zinc/74/56/35/1032745635.db2.gz JIZBNCOTJXVKAT-KRWDZBQOSA-N 1 0 336.435 4.458 20 30 EIEDRO C=CCCC[N@@H+](C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000533437174 1032763093 /nfs/dbraw/zinc/76/30/93/1032763093.db2.gz XJCPMOBZVZCYIP-FQEVSTJZSA-N 1 0 342.508 4.242 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000547647217 1019040425 /nfs/dbraw/zinc/04/04/25/1019040425.db2.gz XJUNJPBKEJHGBS-NRFANRHFSA-N 1 0 342.527 4.315 20 30 EIEDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000285701984 1019440071 /nfs/dbraw/zinc/44/00/71/1019440071.db2.gz OIPIWHVOTJUUED-HNAYVOBHSA-N 1 0 344.418 4.191 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000126978984 1019539904 /nfs/dbraw/zinc/53/99/04/1019539904.db2.gz LKIHLPAGGCKEMW-INIZCTEOSA-N 1 0 337.389 4.032 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430235372 1019550894 /nfs/dbraw/zinc/55/08/94/1019550894.db2.gz DELKUOPTASSFHK-CZUORRHYSA-N 1 0 342.252 4.052 20 30 EIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000237178154 1032849486 /nfs/dbraw/zinc/84/94/86/1032849486.db2.gz LNOUJZOKZKYJJQ-OAHLLOKOSA-N 1 0 341.430 4.035 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000154343546 1019732912 /nfs/dbraw/zinc/73/29/12/1019732912.db2.gz BKWBCFQOGYQWSR-HZPDHXFCSA-N 1 0 333.435 4.097 20 30 EIEDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2CCCc2cccc(C#N)c2)cc1 ZINC001208860119 1019750892 /nfs/dbraw/zinc/75/08/92/1019750892.db2.gz IBUSPRRIUZNBGE-OAQYLSRUSA-N 1 0 348.446 4.115 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(Cl)cn1 ZINC000274899619 1019843502 /nfs/dbraw/zinc/84/35/02/1019843502.db2.gz KYIPRGTUVKIONX-ZDUSSCGKSA-N 1 0 331.872 4.191 20 30 EIEDRO N#Cc1ccc(CC[NH+]2CCC(Oc3cccc(Cl)c3)CC2)cc1 ZINC001208926000 1019849088 /nfs/dbraw/zinc/84/90/88/1019849088.db2.gz CYXPTDVASNHDKV-UHFFFAOYSA-N 1 0 340.854 4.298 20 30 EIEDRO COc1nc2ccccc2cc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000572705735 1032893169 /nfs/dbraw/zinc/89/31/69/1032893169.db2.gz FNTJJROGKZEZID-NRFANRHFSA-N 1 0 343.430 4.282 20 30 EIEDRO CC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000510194792 1020425338 /nfs/dbraw/zinc/42/53/38/1020425338.db2.gz SVNDWEMUFMQGIO-SFHVURJKSA-N 1 0 343.854 4.450 20 30 EIEDRO C#CC[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@H]1CCc2ccccc21 ZINC001167178770 1020487332 /nfs/dbraw/zinc/48/73/32/1020487332.db2.gz KJFWRCQXNQPHEF-SZMVWBNQSA-N 1 0 337.385 4.109 20 30 EIEDRO C#CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC001167273599 1020749050 /nfs/dbraw/zinc/74/90/50/1020749050.db2.gz MSTOQWMCQLDAEC-UHFFFAOYSA-N 1 0 334.463 4.436 20 30 EIEDRO CC[N@H+](CCc1nc2ccccc2n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000510262508 1020765915 /nfs/dbraw/zinc/76/59/15/1020765915.db2.gz VHAAATDYWRCKRY-INIZCTEOSA-N 1 0 332.451 4.071 20 30 EIEDRO Cc1sc(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)c(C#N)c1C ZINC000177239253 1020960914 /nfs/dbraw/zinc/96/09/14/1020960914.db2.gz PHRFMJOSYCRDRZ-LBPRGKRZSA-N 1 0 345.443 4.007 20 30 EIEDRO CCOC(=O)C1CCC([NH2+][C@@H](CCCC#N)c2ccccc2)CC1 ZINC000340436669 1021022278 /nfs/dbraw/zinc/02/22/78/1021022278.db2.gz SHHHSWHXVIMTDY-ACBHZAAOSA-N 1 0 328.456 4.133 20 30 EIEDRO COCC[N@H+](CCCc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC001167314727 1021060309 /nfs/dbraw/zinc/06/03/09/1021060309.db2.gz PBWNFXVBGYHPRB-UHFFFAOYSA-N 1 0 342.870 4.293 20 30 EIEDRO N#CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000123657796 1021084964 /nfs/dbraw/zinc/08/49/64/1021084964.db2.gz YCHRGOYTKHFTIX-UHFFFAOYSA-N 1 0 345.786 4.244 20 30 EIEDRO Cn1nc(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c2ccccc21 ZINC000580024378 1021154536 /nfs/dbraw/zinc/15/45/36/1021154536.db2.gz YHKFWKATRNWSCY-FQEVSTJZSA-N 1 0 344.462 4.045 20 30 EIEDRO C=CCC1(c2nc(CCCCn3cnc(C)c3C)no2)CCCC1 ZINC000656041045 1021325054 /nfs/dbraw/zinc/32/50/54/1021325054.db2.gz ZRFHKWAJZLMNIY-UHFFFAOYSA-N 1 0 328.460 4.294 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]C2CC(c3ccccc3Cl)C2)cc1 ZINC000511376099 1021356670 /nfs/dbraw/zinc/35/66/70/1021356670.db2.gz FYLIBRKSJPZCOQ-UHFFFAOYSA-N 1 0 326.827 4.126 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000510314524 1021376471 /nfs/dbraw/zinc/37/64/71/1021376471.db2.gz KPCLORVFQOYEIN-GOSISDBHSA-N 1 0 342.527 4.145 20 30 EIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1nc(-c2ccc(F)cc2)no1 ZINC000376099928 1021448320 /nfs/dbraw/zinc/44/83/20/1021448320.db2.gz UQDPHZBPFJPYRY-ZDUSSCGKSA-N 1 0 330.407 4.246 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926708019 1021459588 /nfs/dbraw/zinc/45/95/88/1021459588.db2.gz WZVAJMOBXANZHG-RDJZCZTQSA-N 1 0 349.519 4.084 20 30 EIEDRO N#Cc1cc(Cl)cc(C[N@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC001167353014 1021643749 /nfs/dbraw/zinc/64/37/49/1021643749.db2.gz BMKRSDCVBWMYLW-UHFFFAOYSA-N 1 0 326.827 4.329 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2ccccc2C(F)(F)F)O1 ZINC000376169082 1021646889 /nfs/dbraw/zinc/64/68/89/1021646889.db2.gz WZBWUTGYKJACQQ-TXCZRRACSA-N 1 0 338.373 4.035 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2)c(OC2CCCC2)c1 ZINC000177717118 1021665257 /nfs/dbraw/zinc/66/52/57/1021665257.db2.gz GTISUGHTSHQEHX-UHFFFAOYSA-N 1 0 336.435 4.178 20 30 EIEDRO C=CCN(Cc1ccccc1F)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431737800 1021712860 /nfs/dbraw/zinc/71/28/60/1021712860.db2.gz UGJNOTDBAFGLMI-FQEVSTJZSA-N 1 0 340.442 4.033 20 30 EIEDRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000580488243 1021788645 /nfs/dbraw/zinc/78/86/45/1021788645.db2.gz FXCPOKWYUSNFCM-CYBMUJFWSA-N 1 0 344.842 4.470 20 30 EIEDRO C=CC[NH+]1CCC(N[C@@H](C)c2csc(-c3ccccc3)n2)CC1 ZINC000414080122 1021815451 /nfs/dbraw/zinc/81/54/51/1021815451.db2.gz CSGUNJQQRHCPDT-HNNXBMFYSA-N 1 0 327.497 4.111 20 30 EIEDRO C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613428931 1022007918 /nfs/dbraw/zinc/00/79/18/1022007918.db2.gz AUZGFQBSCSLLCB-DOTOQJQBSA-N 1 0 340.515 4.316 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCOc2c(OC)cc(C)cc21)c1ccc(C#N)cc1 ZINC000365713015 1022034859 /nfs/dbraw/zinc/03/48/59/1022034859.db2.gz QBOSKMODENMBLE-RTBURBONSA-N 1 0 336.435 4.440 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)cc1Cl ZINC000377837931 1022042409 /nfs/dbraw/zinc/04/24/09/1022042409.db2.gz SSVGKLGBHYQXOZ-INIZCTEOSA-N 1 0 345.874 4.077 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1)CC2 ZINC000579652165 1022058144 /nfs/dbraw/zinc/05/81/44/1022058144.db2.gz QEHJNFJLSWOMBO-NJDAHSKKSA-N 1 0 336.410 4.195 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1cccc(C#N)c1 ZINC000178179194 1022138779 /nfs/dbraw/zinc/13/87/79/1022138779.db2.gz KSCGGGMVNOSPBR-JKSUJKDBSA-N 1 0 333.435 4.097 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000471592032 1022204458 /nfs/dbraw/zinc/20/44/58/1022204458.db2.gz BLFXGUUVQANZKU-AUSJPIAWSA-N 1 0 325.431 4.039 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415910891 1022221481 /nfs/dbraw/zinc/22/14/81/1022221481.db2.gz CLCRFTJQPWRYNQ-UHFFFAOYSA-N 1 0 337.467 4.406 20 30 EIEDRO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1ccc(C#N)c(F)c1 ZINC000471596229 1022235669 /nfs/dbraw/zinc/23/56/69/1022235669.db2.gz AJVDYWJXPPIIIO-ZDUSSCGKSA-N 1 0 339.389 4.221 20 30 EIEDRO C#CC[N@H+](CC1=CCCC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001167420625 1022240396 /nfs/dbraw/zinc/24/03/96/1022240396.db2.gz HLSCNWGFFUKDJC-QGZVFWFLSA-N 1 0 346.268 4.318 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2)C1 ZINC000414246995 1022301060 /nfs/dbraw/zinc/30/10/60/1022301060.db2.gz SUIDNFFBIRCURK-YGRLFVJLSA-N 1 0 327.653 4.274 20 30 EIEDRO C=CCCCCCN(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415967945 1022313366 /nfs/dbraw/zinc/31/33/66/1022313366.db2.gz ILVLBVKBHPWPLW-UHFFFAOYSA-N 1 0 343.393 4.374 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000414303908 1022454613 /nfs/dbraw/zinc/45/46/13/1022454613.db2.gz OEYKQQSBAPVBSH-QFIPXVFZSA-N 1 0 345.490 4.304 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000414305939 1022464973 /nfs/dbraw/zinc/46/49/73/1022464973.db2.gz QMPJIYIJHHGSCV-MAUKXSAKSA-N 1 0 344.524 4.478 20 30 EIEDRO CCC(CC)(C[NH2+][C@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000310858525 1022522624 /nfs/dbraw/zinc/52/26/24/1022522624.db2.gz UPSRHJDEOBHOMK-OAHLLOKOSA-N 1 0 345.487 4.292 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000472954082 1022618018 /nfs/dbraw/zinc/61/80/18/1022618018.db2.gz POQOEVIMKKWVMC-RDJZCZTQSA-N 1 0 330.497 4.438 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659013515 1022635386 /nfs/dbraw/zinc/63/53/86/1022635386.db2.gz RPVGXYZAWYVKLO-IBGZPJMESA-N 1 0 341.499 4.049 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1ccc(OCC#N)cc1 ZINC000181837703 1022728100 /nfs/dbraw/zinc/72/81/00/1022728100.db2.gz KGLFYJNEBFMNRC-IAGOWNOFSA-N 1 0 346.434 4.186 20 30 EIEDRO N#Cc1cnc2c(Cl)cccc2c1NC1CC[NH+](C2CCC2)CC1 ZINC000580949780 1022739705 /nfs/dbraw/zinc/73/97/05/1022739705.db2.gz WMRLEAJAJIIVRY-UHFFFAOYSA-N 1 0 340.858 4.189 20 30 EIEDRO COc1c(Br)cccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000548149818 1022747631 /nfs/dbraw/zinc/74/76/31/1022747631.db2.gz VUISOKZGRAQJCP-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO C[N@@H+](CCCC#N)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108375794 1022781224 /nfs/dbraw/zinc/78/12/24/1022781224.db2.gz SZQSJLIUUXRQNP-UHFFFAOYSA-N 1 0 328.435 4.164 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2C)cc1OCCCC#N ZINC000064614149 1022823123 /nfs/dbraw/zinc/82/31/23/1022823123.db2.gz SQLVBNDZAWJZFE-UHFFFAOYSA-N 1 0 338.451 4.284 20 30 EIEDRO N#CCCC[NH2+][C@H](Cc1ccccc1Br)c1ccco1 ZINC000926133867 1022836245 /nfs/dbraw/zinc/83/62/45/1022836245.db2.gz UOKWMUWKKJEUMS-OAHLLOKOSA-N 1 0 333.229 4.219 20 30 EIEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000472608067 1022839629 /nfs/dbraw/zinc/83/96/29/1022839629.db2.gz ONECSIYBDGEICF-XYJFISCASA-N 1 0 327.472 4.080 20 30 EIEDRO C=CC(C)(C)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001125832957 1022894625 /nfs/dbraw/zinc/89/46/25/1022894625.db2.gz LSQNHHONNQFJCB-GOSISDBHSA-N 1 0 348.918 4.413 20 30 EIEDRO Cc1ccc(C2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cn1 ZINC000378630620 1022898176 /nfs/dbraw/zinc/89/81/76/1022898176.db2.gz GCGVWIBSXRBJMD-KRWDZBQOSA-N 1 0 335.451 4.061 20 30 EIEDRO Cc1c(Cl)cnc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1C#N ZINC000561327664 1022898328 /nfs/dbraw/zinc/89/83/28/1022898328.db2.gz XMVSHUQRDRZQFK-SUMWQHHRSA-N 1 0 328.847 4.018 20 30 EIEDRO C=CCCCCCN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000581278819 1022952280 /nfs/dbraw/zinc/95/22/80/1022952280.db2.gz BFUVYXDVQHCVHH-UHFFFAOYSA-N 1 0 328.500 4.491 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1cccc(C#N)c1 ZINC000181388742 1023014819 /nfs/dbraw/zinc/01/48/19/1023014819.db2.gz JZKSPXPVPNAIEB-YJBOKZPZSA-N 1 0 325.481 4.107 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)cc1 ZINC000185230153 1023022509 /nfs/dbraw/zinc/02/25/09/1023022509.db2.gz ZBJYRMFAYWZBKP-MRXNPFEDSA-N 1 0 338.426 4.372 20 30 EIEDRO C=C(C)CN(Cc1csc(-c2cnn(C)c2)n1)Cc1ccccc1 ZINC000684209103 1023065963 /nfs/dbraw/zinc/06/59/63/1023065963.db2.gz YLQTUVKFXWVNLZ-UHFFFAOYSA-N 1 0 338.480 4.122 20 30 EIEDRO C=C(C)C[N@@H+](CCCCC1CCOCC1)Cc1cnn(C(C)C)c1 ZINC000512542929 1033106843 /nfs/dbraw/zinc/10/68/43/1033106843.db2.gz XCVOTIDZENODGI-UHFFFAOYSA-N 1 0 333.520 4.439 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)(C)CCC#N)C2 ZINC000368592164 1023191308 /nfs/dbraw/zinc/19/13/08/1023191308.db2.gz KCFRKTQQHAMAJN-HXUWFJFHSA-N 1 0 349.519 4.039 20 30 EIEDRO N#CCSCCC[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000511611303 1023204553 /nfs/dbraw/zinc/20/45/53/1023204553.db2.gz QRTZMCYCTGJNJM-OAHLLOKOSA-N 1 0 344.402 4.273 20 30 EIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(OC)c(C#N)c1)CCC2 ZINC000135213007 1023205025 /nfs/dbraw/zinc/20/50/25/1023205025.db2.gz IXGRFFSQUDHQFD-INIZCTEOSA-N 1 0 341.480 4.095 20 30 EIEDRO Cc1c[nH+]ccc1N1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000330034442 1023215020 /nfs/dbraw/zinc/21/50/20/1023215020.db2.gz AZJOZDZBJZDZPC-MRXNPFEDSA-N 1 0 335.407 4.110 20 30 EIEDRO C=CCN(Cc1cccs1)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000584712451 1023226063 /nfs/dbraw/zinc/22/60/63/1023226063.db2.gz XTRVTNKIIFHAFZ-GFCCVEGCSA-N 1 0 336.407 4.042 20 30 EIEDRO C[C@H](NC(=O)[C@H]1CCn2ccnc2C1)c1cc2cccc(F)c2o1 ZINC000330036504 1023228890 /nfs/dbraw/zinc/22/88/90/1023228890.db2.gz YHVKCMPWDZXCIG-AAEUAGOBSA-N 1 0 327.359 4.049 20 30 EIEDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000414611605 1023274643 /nfs/dbraw/zinc/27/46/43/1023274643.db2.gz CMHMNMPOCNDLKA-GOSISDBHSA-N 1 0 348.406 4.446 20 30 EIEDRO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000417366896 1023292319 /nfs/dbraw/zinc/29/23/19/1023292319.db2.gz NZIOTEXNMQUBLX-SZNDQCEHSA-N 1 0 333.435 4.245 20 30 EIEDRO N#Cc1ccc(Oc2cccc(-c3nc(C4([NH3+])CCCC4)no3)c2)cc1 ZINC000414619425 1023294422 /nfs/dbraw/zinc/29/44/22/1023294422.db2.gz OCHOYHBJSINCJV-UHFFFAOYSA-N 1 0 346.390 4.129 20 30 EIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]Cc2nccs2)cc1 ZINC000170907255 1023313081 /nfs/dbraw/zinc/31/30/81/1023313081.db2.gz LYKWTYAOMHYIEL-UHFFFAOYSA-N 1 0 336.464 4.209 20 30 EIEDRO C#CCC1([NH2+]Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CCC1 ZINC000933300128 1023340381 /nfs/dbraw/zinc/34/03/81/1023340381.db2.gz RBSVDBHPHBKCQB-UHFFFAOYSA-N 1 0 349.459 4.100 20 30 EIEDRO Cc1cnn(-c2ccc([C@H](C)[NH2+][C@H]3CCC[C@H](C#N)C3)cc2F)c1 ZINC000377084891 1023364819 /nfs/dbraw/zinc/36/48/19/1023364819.db2.gz UNFDBGWTZFYPAJ-ZOBUZTSGSA-N 1 0 326.419 4.053 20 30 EIEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000511638819 1023382093 /nfs/dbraw/zinc/38/20/93/1023382093.db2.gz CGDMRUVMFWVJDF-PXVQWCDCSA-N 1 0 344.458 4.080 20 30 EIEDRO N#CCCCC[NH2+]Cc1ccc(-c2cccc(Br)c2)o1 ZINC000236638430 1023384823 /nfs/dbraw/zinc/38/48/23/1023384823.db2.gz HZGZTYPAFZUOJP-UHFFFAOYSA-N 1 0 333.229 4.493 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000276373704 1023396987 /nfs/dbraw/zinc/39/69/87/1023396987.db2.gz DNYFPVAJPYVMAZ-RBUKOAKNSA-N 1 0 341.499 4.287 20 30 EIEDRO Cc1ccc(C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C2CC2)cc1C ZINC001167475229 1023463012 /nfs/dbraw/zinc/46/30/12/1023463012.db2.gz XSPYRNICSVGMGY-UHFFFAOYSA-N 1 0 347.462 4.168 20 30 EIEDRO CC(C)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCCCC1 ZINC000500046822 1023468126 /nfs/dbraw/zinc/46/81/26/1023468126.db2.gz BHLWOGSBTOEBMF-UHFFFAOYSA-N 1 0 339.527 4.245 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132726 1023468925 /nfs/dbraw/zinc/46/89/25/1023468925.db2.gz OEWIEAYMBBLSJE-TZIWHRDSSA-N 1 0 338.426 4.297 20 30 EIEDRO CCc1cnccc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC000783017503 1023539227 /nfs/dbraw/zinc/53/92/27/1023539227.db2.gz UVQOEDRFYXKCGA-ZDUSSCGKSA-N 1 0 329.831 4.051 20 30 EIEDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000418136805 1023554590 /nfs/dbraw/zinc/55/45/90/1023554590.db2.gz AWTJMWLMMCBQQW-GOSISDBHSA-N 1 0 332.407 4.017 20 30 EIEDRO CCCn1c2ccccc2nc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000418137442 1023555770 /nfs/dbraw/zinc/55/57/70/1023555770.db2.gz BPTYAGCYWXGHBU-LJQANCHMSA-N 1 0 344.462 4.485 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(Cl)c1 ZINC000418147002 1023566073 /nfs/dbraw/zinc/56/60/73/1023566073.db2.gz QGAISADOLLLHRQ-LJQANCHMSA-N 1 0 326.827 4.387 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@H+](CCC(F)(F)F)CC2CC2)c1O ZINC000754741231 1023575198 /nfs/dbraw/zinc/57/51/98/1023575198.db2.gz ZAEQMVYWZKQCMJ-UHFFFAOYSA-N 1 0 343.389 4.294 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(CC(C)C)nc2)c1 ZINC000892973737 1023617229 /nfs/dbraw/zinc/61/72/29/1023617229.db2.gz WKANZZFQUIQKQV-HXUWFJFHSA-N 1 0 337.467 4.251 20 30 EIEDRO CCN(C(=O)C[NH+]1CCC(CCC#N)CC1)c1cccc2ccccc21 ZINC000582119599 1023661870 /nfs/dbraw/zinc/66/18/70/1023661870.db2.gz BLUYHYNRWHYRSG-UHFFFAOYSA-N 1 0 349.478 4.208 20 30 EIEDRO CN1CC[C@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000377667465 1023667777 /nfs/dbraw/zinc/66/77/77/1023667777.db2.gz KCDNAKBOQAJZOC-ROUUACIJSA-N 1 0 333.907 4.395 20 30 EIEDRO C=CCc1cc(C[NH2+]CC2(c3ccccc3)CCC2)cc(OC)c1O ZINC000500300809 1023672866 /nfs/dbraw/zinc/67/28/66/1023672866.db2.gz WZCNGRSQUFANJQ-UHFFFAOYSA-N 1 0 337.463 4.341 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000415572868 1023702824 /nfs/dbraw/zinc/70/28/24/1023702824.db2.gz BNNZNALJOQUENT-HDICACEKSA-N 1 0 341.499 4.002 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415579792 1023704963 /nfs/dbraw/zinc/70/49/63/1023704963.db2.gz KQFJQBHCFQDMEW-DOTOQJQBSA-N 1 0 329.488 4.178 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000415581611 1023706368 /nfs/dbraw/zinc/70/63/68/1023706368.db2.gz NQBREECAZAYKLC-MAUKXSAKSA-N 1 0 329.488 4.130 20 30 EIEDRO CC[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000462067531 1023739888 /nfs/dbraw/zinc/73/98/88/1023739888.db2.gz MJWHRYXGOKTCAA-USXIJHARSA-N 1 0 335.289 4.442 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)cc1 ZINC000728711552 1023740299 /nfs/dbraw/zinc/74/02/99/1023740299.db2.gz FHHLDTPQKMSKCF-INIZCTEOSA-N 1 0 338.451 4.445 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000415667455 1023756857 /nfs/dbraw/zinc/75/68/57/1023756857.db2.gz AKAGHCMJODTVMV-LJQANCHMSA-N 1 0 341.499 4.047 20 30 EIEDRO N#Cc1ccc2nc(NC3CC[NH+](C4CCCCC4)CC3)ccc2c1 ZINC000092919169 1023803254 /nfs/dbraw/zinc/80/32/54/1023803254.db2.gz LKCOFMSMVBHOMS-UHFFFAOYSA-N 1 0 334.467 4.315 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1Cl ZINC000500418586 1023817029 /nfs/dbraw/zinc/81/70/29/1023817029.db2.gz CKJWISUGSLWUSV-SFHVURJKSA-N 1 0 335.875 4.344 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(Cl)cc2C#N)C2CC2)cc1 ZINC000187448334 1023832535 /nfs/dbraw/zinc/83/25/35/1023832535.db2.gz FLHZZHDHONCPIW-IBGZPJMESA-N 1 0 326.827 4.461 20 30 EIEDRO N#Cc1ccccc1Cn1cccc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000187607333 1023886881 /nfs/dbraw/zinc/88/68/81/1023886881.db2.gz NHWYGBOQRZTVAO-OAQYLSRUSA-N 1 0 343.430 4.021 20 30 EIEDRO O=C1C=COC2(CC[NH+](CCCCc3cccc(Cl)c3)CC2)C1 ZINC000933645565 1023935081 /nfs/dbraw/zinc/93/50/81/1023935081.db2.gz SSOKJESKRDXBOU-UHFFFAOYSA-N 1 0 333.859 4.000 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](c2nc(-c3cccnc3)no2)C(C)C)C1 ZINC000651751710 1023980761 /nfs/dbraw/zinc/98/07/61/1023980761.db2.gz FFHPNHCJKVTXRT-OIISXLGYSA-N 1 0 326.444 4.163 20 30 EIEDRO C=CC[C@@H]1CC[C@@H](Nc2ccc(C)c(NC(=O)CC[NH+](C)C)c2)C1 ZINC000651764040 1023993078 /nfs/dbraw/zinc/99/30/78/1023993078.db2.gz ALKQQDOMTHLYPJ-IAGOWNOFSA-N 1 0 329.488 4.042 20 30 EIEDRO N#CCC1(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000430739173 1023995139 /nfs/dbraw/zinc/99/51/39/1023995139.db2.gz MXDPVSAVFJVWLJ-ZDUSSCGKSA-N 1 0 325.239 4.491 20 30 EIEDRO CC1(C)C[C@H]([NH2+]CC2(CC#N)CC2)c2cc(Br)ccc21 ZINC000430762462 1024017133 /nfs/dbraw/zinc/01/71/33/1024017133.db2.gz OFZULARTKRYBJJ-HNNXBMFYSA-N 1 0 333.273 4.455 20 30 EIEDRO C=CCC[C@H](C)[NH2+][C@H](CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000341647629 1024112420 /nfs/dbraw/zinc/11/24/20/1024112420.db2.gz VZRFFFUQZPQJOE-PKOBYXMFSA-N 1 0 344.499 4.083 20 30 EIEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](CC1CCCCC1)c1ccccc1 ZINC000341646547 1024117589 /nfs/dbraw/zinc/11/75/89/1024117589.db2.gz VHBJTCZEIVWPSF-HXUWFJFHSA-N 1 0 341.499 4.050 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCc3ccc(F)cc32)cc1 ZINC000093116363 1024165798 /nfs/dbraw/zinc/16/57/98/1024165798.db2.gz NFKOFLQKCPDOGE-NRFANRHFSA-N 1 0 337.442 4.343 20 30 EIEDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000510685419 1024229321 /nfs/dbraw/zinc/22/93/21/1024229321.db2.gz SSIMLWRAOZMDAB-YADHBBJMSA-N 1 0 334.463 4.351 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(COc2ccc(F)cc2)no1 ZINC000661120050 1024243217 /nfs/dbraw/zinc/24/32/17/1024243217.db2.gz ZFXPJTUTHQMCPA-YOEHRIQHSA-N 1 0 345.418 4.012 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3CCCF)C2)c(F)c1 ZINC000510698220 1024247583 /nfs/dbraw/zinc/24/75/83/1024247583.db2.gz FNMJIARVYMFCIH-ZIFCJYIRSA-N 1 0 347.453 4.174 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCC2)c(OC(F)F)c1 ZINC000610613776 1024320802 /nfs/dbraw/zinc/32/08/02/1024320802.db2.gz KKSAWCTXZCQSQK-UHFFFAOYSA-N 1 0 346.352 4.468 20 30 EIEDRO Cc1ncc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1-c1ccccc1 ZINC000341696927 1024338131 /nfs/dbraw/zinc/33/81/31/1024338131.db2.gz GGUYUYFIOXKODZ-JOCHJYFZSA-N 1 0 342.446 4.220 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510729570 1024353977 /nfs/dbraw/zinc/35/39/77/1024353977.db2.gz DNNMWZJBJDPESU-SFHVURJKSA-N 1 0 349.316 4.067 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000341705717 1024365365 /nfs/dbraw/zinc/36/53/65/1024365365.db2.gz JOJPCODGEOKAES-OAOOKAIFSA-N 1 0 345.490 4.361 20 30 EIEDRO N#CCCn1cc(C[NH2+]C2CCC(F)(F)CC2)c(-c2ccccc2)n1 ZINC000341715179 1024422925 /nfs/dbraw/zinc/42/29/25/1024422925.db2.gz RLSLVEMPCNBCJW-UHFFFAOYSA-N 1 0 344.409 4.131 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000510791746 1024489908 /nfs/dbraw/zinc/48/99/08/1024489908.db2.gz VYUJYKHFLXMXNA-KRWDZBQOSA-N 1 0 349.478 4.281 20 30 EIEDRO COCC[N@H+](Cc1cc2c(ccc(C)c2C)[nH]1)Cc1ccc(C#N)cc1 ZINC000473145919 1024512984 /nfs/dbraw/zinc/51/29/84/1024512984.db2.gz LFRVRYCHWSWXPB-UHFFFAOYSA-N 1 0 347.462 4.305 20 30 EIEDRO C[C@H]([NH2+][C@H](CO)CCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000652306374 1024523467 /nfs/dbraw/zinc/52/34/67/1024523467.db2.gz URMVZGIKWSNRDF-UFBFGSQYSA-N 1 0 347.274 4.095 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000341759029 1024617151 /nfs/dbraw/zinc/61/71/51/1024617151.db2.gz SXRPBYDNELEVPO-HSZRJFAPSA-N 1 0 345.490 4.190 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1OC(F)F ZINC000341758525 1024617854 /nfs/dbraw/zinc/61/78/54/1024617854.db2.gz QRHKSTPYOCSWBC-KRWDZBQOSA-N 1 0 328.362 4.327 20 30 EIEDRO C[C@H](Cc1ccc(F)cc1Br)[NH2+]Cc1cccc(C#N)c1 ZINC000561739151 1024631361 /nfs/dbraw/zinc/63/13/61/1024631361.db2.gz ZFRYYVULMZHQHE-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C=C(C)[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccc(F)c(F)c1 ZINC000548487161 1024841992 /nfs/dbraw/zinc/84/19/92/1024841992.db2.gz XRKGOTOXPARDJQ-NRAUKZCXSA-N 1 0 349.343 4.408 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CC23CCCCC3)cc1OCCCC#N ZINC000598983305 1024848623 /nfs/dbraw/zinc/84/86/23/1024848623.db2.gz DWNLRYLIPSCOME-IBGZPJMESA-N 1 0 328.456 4.190 20 30 EIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000510962763 1024868083 /nfs/dbraw/zinc/86/80/83/1024868083.db2.gz SNJDXMOMYHWMCR-ADLMAVQZSA-N 1 0 328.362 4.183 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)ccc1OC ZINC000057970110 1024881058 /nfs/dbraw/zinc/88/10/58/1024881058.db2.gz RJIOZPGXAUZTCP-UHFFFAOYSA-N 1 0 336.435 4.421 20 30 EIEDRO CC(C)Cc1ncc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341886431 1024885703 /nfs/dbraw/zinc/88/57/03/1024885703.db2.gz NOTQGJPUNKPWLA-SFHVURJKSA-N 1 0 325.481 4.380 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2cnc(C3CCCCC3)s2)CC1 ZINC000531452162 1024991591 /nfs/dbraw/zinc/99/15/91/1024991591.db2.gz BKOHJPGGWAJRFU-UHFFFAOYSA-N 1 0 333.545 4.321 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cc(C(=O)OC)oc1CC)c1ccccc1 ZINC000341929367 1025006510 /nfs/dbraw/zinc/00/65/10/1025006510.db2.gz KFUNBIVWTJACCS-KRWDZBQOSA-N 1 0 327.424 4.426 20 30 EIEDRO C=CCC1(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CCCCC1 ZINC001126218597 1025009515 /nfs/dbraw/zinc/00/95/15/1025009515.db2.gz OCOJVSCKWHNJQD-UHFFFAOYSA-N 1 0 332.532 4.236 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000610813296 1025022809 /nfs/dbraw/zinc/02/28/09/1025022809.db2.gz CAGBOOJNCQWFCE-QGZVFWFLSA-N 1 0 339.405 4.124 20 30 EIEDRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+]C2CCN(CC#N)CC2)cc1C ZINC000610813303 1025023756 /nfs/dbraw/zinc/02/37/56/1025023756.db2.gz CDGACRFWAQSGEZ-HSZRJFAPSA-N 1 0 347.506 4.165 20 30 EIEDRO N#Cc1ccccc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000247633012 1025037248 /nfs/dbraw/zinc/03/72/48/1025037248.db2.gz BWFAEJAKDFXREO-UHFFFAOYSA-N 1 0 327.431 4.034 20 30 EIEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610830060 1025053018 /nfs/dbraw/zinc/05/30/18/1025053018.db2.gz ZYZQTJZJIBPJLM-HZPDHXFCSA-N 1 0 335.451 4.189 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cccc3ccccc32)c(C#N)c1C ZINC000120371158 1025061508 /nfs/dbraw/zinc/06/15/08/1025061508.db2.gz NZUWXTDUICPDSK-CQSZACIVSA-N 1 0 347.418 4.211 20 30 EIEDRO C[NH+](C)[C@@H](C/N=C\c1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000588480356 1025154720 /nfs/dbraw/zinc/15/47/20/1025154720.db2.gz RYERJDHHJIIBTH-VBHHZLGVSA-N 1 0 336.357 4.133 20 30 EIEDRO C=CCc1cc(C[NH2+]CC(C)(C)CC(F)(F)F)cc(OC)c1O ZINC000663355587 1025175082 /nfs/dbraw/zinc/17/50/82/1025175082.db2.gz XSVPOGPGGNSLKE-UHFFFAOYSA-N 1 0 331.378 4.198 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000535871833 1025175845 /nfs/dbraw/zinc/17/58/45/1025175845.db2.gz UQCZEJJOTVDJNR-JOCHJYFZSA-N 1 0 346.474 4.474 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)cc1C#N ZINC000610993028 1025226899 /nfs/dbraw/zinc/22/68/99/1025226899.db2.gz BEUFYOGQERIEEU-GOSISDBHSA-N 1 0 345.446 4.428 20 30 EIEDRO CC[N@H+](Cc1ccnc(C#N)c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000610993864 1025229782 /nfs/dbraw/zinc/22/97/82/1025229782.db2.gz LDRGETRTIYCRMZ-HXUWFJFHSA-N 1 0 325.431 4.182 20 30 EIEDRO CCCCCCCC[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC001167803816 1025254507 /nfs/dbraw/zinc/25/45/07/1025254507.db2.gz DZJRATXTBUCHAU-QGZVFWFLSA-N 1 0 344.421 4.356 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000128638682 1025268638 /nfs/dbraw/zinc/26/86/38/1025268638.db2.gz GQMLWZNOCWCVFW-UHFFFAOYSA-N 1 0 347.462 4.034 20 30 EIEDRO C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC001167499102 1025334266 /nfs/dbraw/zinc/33/42/66/1025334266.db2.gz BVUJKNUJEKODGR-AVRDEDQJSA-N 1 0 334.463 4.453 20 30 EIEDRO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000181916464 1025355782 /nfs/dbraw/zinc/35/57/82/1025355782.db2.gz AYBZNOVZSPAPNC-CQSZACIVSA-N 1 0 335.382 4.246 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)cs1 ZINC000892011567 1025399399 /nfs/dbraw/zinc/39/93/99/1025399399.db2.gz BUCKXEXYRFNOLL-GOSISDBHSA-N 1 0 346.883 4.219 20 30 EIEDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)c3cccc(C#N)c3)c2)CC1 ZINC000538548856 1025457841 /nfs/dbraw/zinc/45/78/41/1025457841.db2.gz SXONKUKTSBGCHL-SFHVURJKSA-N 1 0 348.494 4.262 20 30 EIEDRO Cn1cc([C@@H]([NH2+]CCC2(C#N)CCCCC2)c2ccc(F)cc2)cn1 ZINC000519104890 1025494689 /nfs/dbraw/zinc/49/46/89/1025494689.db2.gz JEJQZJMNVYLQAC-IBGZPJMESA-N 1 0 340.446 4.102 20 30 EIEDRO C[C@@H](CC[NH2+]Cc1nc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000569038709 1025534560 /nfs/dbraw/zinc/53/45/60/1025534560.db2.gz UYJFPAFDBWWHIT-NSHDSACASA-N 1 0 339.386 4.317 20 30 EIEDRO C=CCCCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000472057134 1025560268 /nfs/dbraw/zinc/56/02/68/1025560268.db2.gz DUJFUQSVACPXRX-UHFFFAOYSA-N 1 0 334.261 4.285 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OCCCC#N ZINC000299459001 1025799636 /nfs/dbraw/zinc/79/96/36/1025799636.db2.gz XMDVJUFXWNWUPG-INIZCTEOSA-N 1 0 349.434 4.100 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000342311251 1025826848 /nfs/dbraw/zinc/82/68/48/1025826848.db2.gz VWOMULYMXDULES-UHFFFAOYSA-N 1 0 332.341 4.186 20 30 EIEDRO Cc1cc(-c2noc([C@@H]3CCC[NH2+][C@H]3c3ccccc3)n2)ccc1C#N ZINC001211849626 1025896538 /nfs/dbraw/zinc/89/65/38/1025896538.db2.gz UAFHFZBPGKKYSN-MOPGFXCFSA-N 1 0 344.418 4.125 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc(Br)cc1 ZINC000539246932 1025898485 /nfs/dbraw/zinc/89/84/85/1025898485.db2.gz CWTRWPYCBPRKDS-CYBMUJFWSA-N 1 0 345.240 4.050 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000344055351 1025928197 /nfs/dbraw/zinc/92/81/97/1025928197.db2.gz LJZRAXXLFGQHEU-JOCHJYFZSA-N 1 0 333.479 4.264 20 30 EIEDRO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1CC=CCC1 ZINC000344071211 1025961109 /nfs/dbraw/zinc/96/11/09/1025961109.db2.gz RSFUZLNOEUEQPI-QGZVFWFLSA-N 1 0 335.451 4.026 20 30 EIEDRO C=CCCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(F)cc2)n1 ZINC000279064301 1026040969 /nfs/dbraw/zinc/04/09/69/1026040969.db2.gz FMXRUKUXTDSAJX-UHFFFAOYSA-N 1 0 333.432 4.023 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000119774383 1026085367 /nfs/dbraw/zinc/08/53/67/1026085367.db2.gz BJQOGOZMGCXYDT-CQSZACIVSA-N 1 0 331.362 4.151 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1 ZINC000472155682 1026106536 /nfs/dbraw/zinc/10/65/36/1026106536.db2.gz JCUCIPUYHMYGLM-FXAWDEMLSA-N 1 0 342.446 4.321 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C ZINC000512154747 1026164395 /nfs/dbraw/zinc/16/43/95/1026164395.db2.gz OZSGYLRAOCENLY-CVEARBPZSA-N 1 0 345.512 4.141 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC(C)C)cc1 ZINC000512167884 1026200799 /nfs/dbraw/zinc/20/07/99/1026200799.db2.gz RTHIDGKPYYDADM-UHFFFAOYSA-N 1 0 329.440 4.137 20 30 EIEDRO C=C(C)C[N@H+](CCSc1ccccc1F)Cc1ccc(CO)o1 ZINC000512179057 1026248252 /nfs/dbraw/zinc/24/82/52/1026248252.db2.gz LEEDZWYQZRCWBH-UHFFFAOYSA-N 1 0 335.444 4.081 20 30 EIEDRO N#Cc1cc(F)ccc1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000609494844 1026312792 /nfs/dbraw/zinc/31/27/92/1026312792.db2.gz MUYIMCCKIHILCS-UHFFFAOYSA-N 1 0 343.833 4.427 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000121640611 1026324739 /nfs/dbraw/zinc/32/47/39/1026324739.db2.gz CRCYRVDAMWQXAK-JKSUJKDBSA-N 1 0 336.435 4.069 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)cc1 ZINC000121640440 1026328941 /nfs/dbraw/zinc/32/89/41/1026328941.db2.gz CRCYRVDAMWQXAK-CVEARBPZSA-N 1 0 336.435 4.069 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000121784494 1026420462 /nfs/dbraw/zinc/42/04/62/1026420462.db2.gz YXCGKHFWXFSBNN-CPOKCXMASA-N 1 0 345.446 4.196 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279493035 1026450544 /nfs/dbraw/zinc/45/05/44/1026450544.db2.gz YDIHSUOXXMTRCU-UHFFFAOYSA-N 1 0 337.471 4.037 20 30 EIEDRO COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(C#N)cc3F)c2c1 ZINC000611587766 1026483853 /nfs/dbraw/zinc/48/38/53/1026483853.db2.gz KWZDHTHHAUFXIK-CYBMUJFWSA-N 1 0 337.398 4.081 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000512282095 1026641160 /nfs/dbraw/zinc/64/11/60/1026641160.db2.gz UAYKNJGAFDUSBY-NSHDSACASA-N 1 0 347.777 4.152 20 30 EIEDRO C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000512295976 1026659403 /nfs/dbraw/zinc/65/94/03/1026659403.db2.gz OPIJDNKTWSGHCE-CQSZACIVSA-N 1 0 334.435 4.250 20 30 EIEDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000427002188 1026675948 /nfs/dbraw/zinc/67/59/48/1026675948.db2.gz NJPXRSPYLTWJRB-DGCLKSJQSA-N 1 0 333.501 4.074 20 30 EIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CCc3ccc(C#N)cc3)c2C1 ZINC000158348416 1026678554 /nfs/dbraw/zinc/67/85/54/1026678554.db2.gz UMODEULDZDCUFT-UHFFFAOYSA-N 1 0 347.462 4.101 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(c2ccccc2OC)CC1)c1ccc(C#N)cc1 ZINC000375711698 1026718132 /nfs/dbraw/zinc/71/81/32/1026718132.db2.gz NZRNUZVBEROBFR-FQEVSTJZSA-N 1 0 349.478 4.277 20 30 EIEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CCCc1ccccc1)c1ccccc1 ZINC000342637888 1026775944 /nfs/dbraw/zinc/77/59/44/1026775944.db2.gz RHBCWPXGOUZPHG-WIYYLYMNSA-N 1 0 336.479 4.031 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)ccc1OC ZINC000237185615 1026776640 /nfs/dbraw/zinc/77/66/40/1026776640.db2.gz ZSRKTQRHHLVCRR-RXVVDRJESA-N 1 0 347.499 4.191 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCC(=O)NC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000342219500 1026779828 /nfs/dbraw/zinc/77/98/28/1026779828.db2.gz HNTZMLONVFMTRL-MRXNPFEDSA-N 1 0 342.405 4.217 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)s1 ZINC000113323328 1026782718 /nfs/dbraw/zinc/78/27/18/1026782718.db2.gz WLPDLRBMJWNHLA-UHFFFAOYSA-N 1 0 336.464 4.124 20 30 EIEDRO C=CC[C@@H]1N(Cc2csc(N(C(C)=O)C3CC3)n2)CCCC1(C)C ZINC000277693539 1026803307 /nfs/dbraw/zinc/80/33/07/1026803307.db2.gz HGKVSWMTPVDOJD-KRWDZBQOSA-N 1 0 347.528 4.225 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+][C@@H]3CCCC[C@H]3C3CC3)CC2)nc1 ZINC000507470063 1026806017 /nfs/dbraw/zinc/80/60/17/1026806017.db2.gz LUCNRKJRJYJJFA-GHBBCFCZSA-N 1 0 339.483 4.202 20 30 EIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000479491150 1026821228 /nfs/dbraw/zinc/82/12/28/1026821228.db2.gz UWOKFMABSRYIQO-JXFKEZNVSA-N 1 0 340.442 4.386 20 30 EIEDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000479491153 1026821498 /nfs/dbraw/zinc/82/14/98/1026821498.db2.gz UWOKFMABSRYIQO-OXQOHEQNSA-N 1 0 340.442 4.386 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000277715909 1026829094 /nfs/dbraw/zinc/82/90/94/1026829094.db2.gz MZQSFGYRPIHBHA-GOSISDBHSA-N 1 0 330.472 4.093 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(OC3CCCC3)c1)CC2 ZINC000562085553 1026837816 /nfs/dbraw/zinc/83/78/16/1026837816.db2.gz UIKIWIPKMHDDFF-HXUWFJFHSA-N 1 0 333.435 4.052 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277727032 1026841971 /nfs/dbraw/zinc/84/19/71/1026841971.db2.gz GRDSOFZXFLKMJT-WFASDCNBSA-N 1 0 348.372 4.241 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cccn2)cc1 ZINC000479580364 1026844788 /nfs/dbraw/zinc/84/47/88/1026844788.db2.gz QIFGXQAKBGAXKO-UHFFFAOYSA-N 1 0 344.462 4.402 20 30 EIEDRO CCCC(O)(CCC)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507597657 1026848874 /nfs/dbraw/zinc/84/88/74/1026848874.db2.gz FPTINXZNYXPHJD-UHFFFAOYSA-N 1 0 328.500 4.311 20 30 EIEDRO CCO[C@@H](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)C ZINC000507613372 1026854438 /nfs/dbraw/zinc/85/44/38/1026854438.db2.gz QVEYDHNDORHDJN-KBWCOIMZSA-N 1 0 328.500 4.431 20 30 EIEDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507637974 1026858236 /nfs/dbraw/zinc/85/82/36/1026858236.db2.gz RAVIAAPZRQQJDN-FEPNQTLGSA-N 1 0 334.463 4.317 20 30 EIEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCC(C)CC1 ZINC000507629991 1026859484 /nfs/dbraw/zinc/85/94/84/1026859484.db2.gz MYUSDZLOZPNCLZ-KPQWGBOZSA-N 1 0 339.527 4.101 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000507636238 1026860585 /nfs/dbraw/zinc/86/05/85/1026860585.db2.gz MPJRPAODYZHXAJ-IDMYKUQPSA-N 1 0 348.446 4.470 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000507652479 1026862647 /nfs/dbraw/zinc/86/26/47/1026862647.db2.gz WZKLEKZHPHBPKV-QSRFUDQGSA-N 1 0 348.494 4.361 20 30 EIEDRO CC(C)[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCCC1 ZINC000507645266 1026864280 /nfs/dbraw/zinc/86/42/80/1026864280.db2.gz QMJCDTYPIXAMML-ORFBVSJDSA-N 1 0 339.527 4.101 20 30 EIEDRO CC1(C#N)CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000507713713 1026884618 /nfs/dbraw/zinc/88/46/18/1026884618.db2.gz LFLKKWNNUIERDL-UHFFFAOYSA-N 1 0 337.250 4.395 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187977858 1026912872 /nfs/dbraw/zinc/91/28/72/1026912872.db2.gz HIGVKLLARIUCKM-IBGZPJMESA-N 1 0 346.540 4.252 20 30 EIEDRO C=CCCC[C@H](C)[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664937008 1026925055 /nfs/dbraw/zinc/92/50/55/1026925055.db2.gz XVIGODWHUMVOKO-AWEZNQCLSA-N 1 0 329.419 4.194 20 30 EIEDRO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CCC1(C)C ZINC000926419005 1026932880 /nfs/dbraw/zinc/93/28/80/1026932880.db2.gz ALLZUMFFDCZZJN-JKSUJKDBSA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(F)cc1F ZINC000237333338 1026956747 /nfs/dbraw/zinc/95/67/47/1026956747.db2.gz UOWNMWFTBZGDSO-CQSZACIVSA-N 1 0 330.378 4.498 20 30 EIEDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c(C)n1 ZINC000091412263 1026970567 /nfs/dbraw/zinc/97/05/67/1026970567.db2.gz JHQVKPGUWZIHBM-OAHLLOKOSA-N 1 0 342.446 4.483 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000519761295 1026989124 /nfs/dbraw/zinc/98/91/24/1026989124.db2.gz DOOKZIXUFDYAAM-CYGHRXIMSA-N 1 0 346.446 4.116 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](C)N2CCCC[C@H]2C)ccc1OC ZINC000060947661 1026991664 /nfs/dbraw/zinc/99/16/64/1026991664.db2.gz MPFJIAKBJCZLSU-MSOLQXFVSA-N 1 0 346.515 4.003 20 30 EIEDRO CCC1(CNc2cc(C#N)ccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000342779783 1026992528 /nfs/dbraw/zinc/99/25/28/1026992528.db2.gz NUWYHXBMMACQTP-UHFFFAOYSA-N 1 0 334.467 4.058 20 30 EIEDRO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1F ZINC000520173615 1027278464 /nfs/dbraw/zinc/27/84/64/1027278464.db2.gz RYEKTTIWLZYTHD-UHFFFAOYSA-N 1 0 326.415 4.364 20 30 EIEDRO Cc1nccn1CCC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543870664 1027373422 /nfs/dbraw/zinc/37/34/22/1027373422.db2.gz CACCXRNOGYFKDT-QGZVFWFLSA-N 1 0 344.462 4.471 20 30 EIEDRO CC(C)(C#N)c1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000475465309 1027374014 /nfs/dbraw/zinc/37/40/14/1027374014.db2.gz IVVXMCUBRIPKSY-UHFFFAOYSA-N 1 0 330.391 4.130 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000153422272 1027419073 /nfs/dbraw/zinc/41/90/73/1027419073.db2.gz LXPUTNKQSWZBGH-UHFFFAOYSA-N 1 0 326.484 4.126 20 30 EIEDRO CCCOc1c(C[NH2+]CC2CCC(C#N)CC2)cccc1OCC ZINC000441325267 1027460055 /nfs/dbraw/zinc/46/00/55/1027460055.db2.gz BJUZXTNAUHQBAL-UHFFFAOYSA-N 1 0 330.472 4.294 20 30 EIEDRO COc1c(Cl)cc(Cl)cc1C[NH2+]CC1CCC(C#N)CC1 ZINC000441353323 1027472581 /nfs/dbraw/zinc/47/25/81/1027472581.db2.gz GQAOLRSCCYYAOJ-UHFFFAOYSA-N 1 0 327.255 4.422 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428355362 1027494899 /nfs/dbraw/zinc/49/48/99/1027494899.db2.gz OZZLCOHOAIFNQY-SGTLLEGYSA-N 1 0 332.806 4.217 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000329186730 1027635563 /nfs/dbraw/zinc/63/55/63/1027635563.db2.gz PWJGIGSRLAQJLO-AHRSYUTCSA-N 1 0 339.483 4.183 20 30 EIEDRO C=CCOc1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1Cl ZINC000475568653 1027662464 /nfs/dbraw/zinc/66/24/64/1027662464.db2.gz DUKAHXDSVHVXKN-UHFFFAOYSA-N 1 0 334.891 4.011 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000237826112 1027685868 /nfs/dbraw/zinc/68/58/68/1027685868.db2.gz DVSDOPCOIQFDJM-FQEVSTJZSA-N 1 0 336.435 4.373 20 30 EIEDRO N#CCCCCCC(=O)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000840574805 1027687573 /nfs/dbraw/zinc/68/75/73/1027687573.db2.gz WSXZRTIZIGPRQX-UHFFFAOYSA-N 1 0 328.456 4.190 20 30 EIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000303905899 1027698039 /nfs/dbraw/zinc/69/80/39/1027698039.db2.gz VSIZJSAOYFEMJX-ACJLOTCBSA-N 1 0 345.874 4.314 20 30 EIEDRO CCc1ccc(NC(=[NH2+])NCc2cccc(COC(C)(C)C)c2)cc1 ZINC000303987862 1027714922 /nfs/dbraw/zinc/71/49/22/1027714922.db2.gz VYYLPCKUASEAKF-UHFFFAOYSA-N 1 0 339.483 4.491 20 30 EIEDRO O=C(C[NH+]1CCCCCC1)Nc1cccc(N[C@H]2CCCOCC2)c1 ZINC000329349895 1027739219 /nfs/dbraw/zinc/73/92/19/1027739219.db2.gz DWYYNFBCNANTKZ-KRWDZBQOSA-N 1 0 345.487 4.132 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000329371616 1027753575 /nfs/dbraw/zinc/75/35/75/1027753575.db2.gz JASHPXPYIYHUQN-VQIMIIECSA-N 1 0 338.455 4.275 20 30 EIEDRO C[C@@H]1CCC[C@H](NC(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)[C@H]1C ZINC000329379808 1027756404 /nfs/dbraw/zinc/75/64/04/1027756404.db2.gz NCSDMNKWRUGTDZ-KVNUXVDHSA-N 1 0 344.499 4.135 20 30 EIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000282011460 1027760044 /nfs/dbraw/zinc/76/00/44/1027760044.db2.gz OMPGWDGXCYWOAR-SFHVURJKSA-N 1 0 344.499 4.049 20 30 EIEDRO Cc1cc(C)n(-c2ccccc2CNC(=[NH2+])Nc2cc(C)cc(C)c2)n1 ZINC000305068062 1027769802 /nfs/dbraw/zinc/76/98/02/1027769802.db2.gz IMHLVJIIAJARDS-UHFFFAOYSA-N 1 0 347.466 4.033 20 30 EIEDRO NC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000328619032 1027782348 /nfs/dbraw/zinc/78/23/48/1027782348.db2.gz VPEOAALKULWGMK-VYDXJSESSA-N 1 0 335.492 4.082 20 30 EIEDRO C[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000328665857 1027789275 /nfs/dbraw/zinc/78/92/75/1027789275.db2.gz ZNIVVNIZMCLFNV-SWLSCSKDSA-N 1 0 331.485 4.255 20 30 EIEDRO CC(C)[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(C(C)(C)C)cc1 ZINC000520433066 1027791953 /nfs/dbraw/zinc/79/19/53/1027791953.db2.gz DMXOWRJTZIKKCQ-FQEVSTJZSA-N 1 0 343.515 4.033 20 30 EIEDRO CC(C)n1ncc2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cc21 ZINC000329463181 1027799147 /nfs/dbraw/zinc/79/91/47/1027799147.db2.gz UFWUVQRRTUDCIP-QGZVFWFLSA-N 1 0 328.460 4.470 20 30 EIEDRO C[N@@H+]1CC[C@H](NC(=O)c2coc(C3CCCC3)n2)[C@H]1c1ccccc1 ZINC000328766140 1027805963 /nfs/dbraw/zinc/80/59/63/1027805963.db2.gz PKDBXFNDESBCHQ-FUHWJXTLSA-N 1 0 339.439 4.082 20 30 EIEDRO CCn1cc(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(C)c3)CC2)cn1 ZINC000329498751 1027817183 /nfs/dbraw/zinc/81/71/83/1027817183.db2.gz JTKUVAXRXYCBEC-INIZCTEOSA-N 1 0 340.471 4.068 20 30 EIEDRO C=CCCC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000091537156 1027848072 /nfs/dbraw/zinc/84/80/72/1027848072.db2.gz JXJMTWCLMGTURU-ZDUSSCGKSA-N 1 0 339.277 4.064 20 30 EIEDRO N#Cc1cc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)ccc1F ZINC000468278061 1027867151 /nfs/dbraw/zinc/86/71/51/1027867151.db2.gz POZOCDFOUSWLOZ-INIZCTEOSA-N 1 0 326.440 4.312 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc2cccnc21)c1ccc(OCC#N)cc1 ZINC000327339759 1027870092 /nfs/dbraw/zinc/87/00/92/1027870092.db2.gz CDDDMMUSLBMOCE-INIZCTEOSA-N 1 0 331.419 4.030 20 30 EIEDRO CCSc1ccccc1CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000896831497 1027907137 /nfs/dbraw/zinc/90/71/37/1027907137.db2.gz HDLUGZHJUUBQGB-MRXNPFEDSA-N 1 0 332.513 4.030 20 30 EIEDRO COC[C@H]1CCCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000467123008 1027931704 /nfs/dbraw/zinc/93/17/04/1027931704.db2.gz UHEXUVHDXYNDCH-IBGZPJMESA-N 1 0 334.463 4.474 20 30 EIEDRO CC[N@H+](CCCCC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000444684390 1027940748 /nfs/dbraw/zinc/94/07/48/1027940748.db2.gz MEZKKIVOTRMZTM-HXUWFJFHSA-N 1 0 327.516 4.303 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CCCCC(C)(C)C#N)cc(OC)c1OC ZINC000444686542 1027943686 /nfs/dbraw/zinc/94/36/86/1027943686.db2.gz DESLTRBJUZGUOC-AWEZNQCLSA-N 1 0 334.460 4.083 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444673234 1027956447 /nfs/dbraw/zinc/95/64/47/1027956447.db2.gz HHGQWAJGSKDQPS-INIZCTEOSA-N 1 0 336.395 4.268 20 30 EIEDRO C[N@H+](CC[C@@H]1CCCO1)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444688333 1027975550 /nfs/dbraw/zinc/97/55/50/1027975550.db2.gz JDUNUOPVBHEXCZ-QFIPXVFZSA-N 1 0 348.490 4.387 20 30 EIEDRO FC(F)(F)C[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000444700254 1027986959 /nfs/dbraw/zinc/98/69/59/1027986959.db2.gz FZWAGBWVIDYFAL-CYBMUJFWSA-N 1 0 335.291 4.331 20 30 EIEDRO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000444744605 1028032443 /nfs/dbraw/zinc/03/24/43/1028032443.db2.gz PXGQKTVFDBMZCK-ZDUSSCGKSA-N 1 0 345.240 4.050 20 30 EIEDRO C=CC[C@H]1[N@@H+](CCC(=O)Nc2sccc2C#N)CCCC1(C)C ZINC000444774600 1028056682 /nfs/dbraw/zinc/05/66/82/1028056682.db2.gz JRJSDTDYVGRSSJ-OAHLLOKOSA-N 1 0 331.485 4.015 20 30 EIEDRO C=CC[C@H]1[N@@H+](CCC(=O)N2CCc3sccc3C2)CCCC1(C)C ZINC000444786792 1028075592 /nfs/dbraw/zinc/07/55/92/1028075592.db2.gz VUWCGMNFBNGNAP-GOSISDBHSA-N 1 0 346.540 4.090 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCCCc2ccc(F)cc2)CC1 ZINC000189279654 1028103970 /nfs/dbraw/zinc/10/39/70/1028103970.db2.gz KRXOGFGIESOMNC-UHFFFAOYSA-N 1 0 346.490 4.085 20 30 EIEDRO O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000329843616 1028135846 /nfs/dbraw/zinc/13/58/46/1028135846.db2.gz PMLCNXAOERAZCH-ROUUACIJSA-N 1 0 343.471 4.069 20 30 EIEDRO CC1(C)CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000583175600 1028183435 /nfs/dbraw/zinc/18/34/35/1028183435.db2.gz VGOWWTSHZDSZDD-UHFFFAOYSA-N 1 0 328.403 4.295 20 30 EIEDRO C[N@H+](CCNC(=O)[C@@H]1CCCc2c(O)cccc21)C1CCCCC1 ZINC000330013674 1028183446 /nfs/dbraw/zinc/18/34/46/1028183446.db2.gz MJIZMITWICKSRI-GOSISDBHSA-N 1 0 330.472 4.033 20 30 EIEDRO Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000330166865 1028217262 /nfs/dbraw/zinc/21/72/62/1028217262.db2.gz YKFQBQUFWBUCBO-HNNXBMFYSA-N 1 0 326.444 4.238 20 30 EIEDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000440623590 1028217666 /nfs/dbraw/zinc/21/76/66/1028217666.db2.gz HGEWANSCNZXUFZ-IUODEOHRSA-N 1 0 326.362 4.025 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000330267451 1028239950 /nfs/dbraw/zinc/23/99/50/1028239950.db2.gz QNVSWXVSEXJORQ-LNHVQRHZSA-N 1 0 343.254 4.127 20 30 EIEDRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000330270299 1028241437 /nfs/dbraw/zinc/24/14/37/1028241437.db2.gz TXDZDNDXFJZXAP-YJLNNSPDSA-N 1 0 330.472 4.252 20 30 EIEDRO CC[C@@H]1CCN1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000330274287 1028245188 /nfs/dbraw/zinc/24/51/88/1028245188.db2.gz JVTPNDDOEDLZGE-OAHLLOKOSA-N 1 0 330.428 4.191 20 30 EIEDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)N2CCCC2)o1 ZINC000346145288 1028277758 /nfs/dbraw/zinc/27/77/58/1028277758.db2.gz UXPAWCIEORGECB-HNAYVOBHSA-N 1 0 341.430 4.087 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccc(C#N)cc1 ZINC000278165852 1028358179 /nfs/dbraw/zinc/35/81/79/1028358179.db2.gz CCYZNNHBURQQCP-QRWLVFNGSA-N 1 0 349.434 4.317 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CCn2ccnc2C)C(C)(C)C)cc1 ZINC000346303948 1028375612 /nfs/dbraw/zinc/37/56/12/1028375612.db2.gz GNJZKEFTYQABBU-UHFFFAOYSA-N 1 0 327.472 4.057 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2cc(C#N)cs2)ccc1OC(C)C ZINC000343154165 1028398002 /nfs/dbraw/zinc/39/80/02/1028398002.db2.gz PGSWFZYDGLIZOV-ZDUSSCGKSA-N 1 0 330.453 4.266 20 30 EIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281138790 1028407576 /nfs/dbraw/zinc/40/75/76/1028407576.db2.gz ALPLUVQMKJUJFO-HXUWFJFHSA-N 1 0 326.484 4.141 20 30 EIEDRO Cc1cc(C(C)(C)C)cc(C)c1CC[NH2+]Cc1nc(C#N)cs1 ZINC000583350782 1028559999 /nfs/dbraw/zinc/55/99/99/1028559999.db2.gz RJKFYAGIQFJEKB-UHFFFAOYSA-N 1 0 327.497 4.261 20 30 EIEDRO N#Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1Oc1ccccc1 ZINC000428405170 1028641518 /nfs/dbraw/zinc/64/15/18/1028641518.db2.gz DGQSKQWHFJQSEK-RTBURBONSA-N 1 0 333.435 4.389 20 30 EIEDRO CC[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000522712512 1028717847 /nfs/dbraw/zinc/71/78/47/1028717847.db2.gz UMFQEVBRRAWKQJ-IBGZPJMESA-N 1 0 341.499 4.062 20 30 EIEDRO Cc1ccc(C#N)c(NCc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000346850151 1028777026 /nfs/dbraw/zinc/77/70/26/1028777026.db2.gz MJTXQYYDCDOJNS-UHFFFAOYSA-N 1 0 334.467 4.250 20 30 EIEDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1C ZINC000161785159 1028898442 /nfs/dbraw/zinc/89/84/42/1028898442.db2.gz IIAMLUGIKXGBEV-GOSISDBHSA-N 1 0 348.494 4.198 20 30 EIEDRO CN(CC1(C#N)CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000343312870 1028902312 /nfs/dbraw/zinc/90/23/12/1028902312.db2.gz DQKKWOHXDREDLG-ZDUSSCGKSA-N 1 0 337.286 4.222 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000278334745 1028909080 /nfs/dbraw/zinc/90/90/80/1028909080.db2.gz WXIHKAMKKNLXDY-FOIQADDNSA-N 1 0 349.434 4.317 20 30 EIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(-c2cccnc2)cc1 ZINC000281903533 1028943544 /nfs/dbraw/zinc/94/35/44/1028943544.db2.gz FXXQDRJLPPTMCJ-SFHVURJKSA-N 1 0 349.478 4.500 20 30 EIEDRO C[C@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@H]1c1cccc(F)c1 ZINC000281921460 1028961358 /nfs/dbraw/zinc/96/13/58/1028961358.db2.gz HGCXPCZUSNKRRF-QFBILLFUSA-N 1 0 330.447 4.309 20 30 EIEDRO C=C1CC[NH+](Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000353332281 1029119696 /nfs/dbraw/zinc/11/96/96/1029119696.db2.gz PORACAACQGJZHE-UHFFFAOYSA-N 1 0 346.272 4.095 20 30 EIEDRO COc1ccc(Br)cc1CN(CCC#N)CC(C)(C)C ZINC000524811864 1029234074 /nfs/dbraw/zinc/23/40/74/1029234074.db2.gz RJORJNOMHIQMCL-UHFFFAOYSA-N 1 0 339.277 4.219 20 30 EIEDRO Cc1ccnc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c1C#N ZINC000343434127 1029241509 /nfs/dbraw/zinc/24/15/09/1029241509.db2.gz KDRXSSBMZVZRCJ-INIZCTEOSA-N 1 0 334.467 4.106 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000158161116 1029355059 /nfs/dbraw/zinc/35/50/59/1029355059.db2.gz CPVXEPNUSHFZGU-PBEJRMEISA-N 1 0 336.435 4.160 20 30 EIEDRO C[C@@H]1CC(N(CC#N)Cc2ccccc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058106 1029359228 /nfs/dbraw/zinc/35/92/28/1029359228.db2.gz AZCLLNCZCQLXFN-WOJBJXKFSA-N 1 0 347.506 4.454 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000152999282 1029377859 /nfs/dbraw/zinc/37/78/59/1029377859.db2.gz RSHMGTPRVGWQKQ-CQSZACIVSA-N 1 0 326.406 4.397 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000158212077 1029394432 /nfs/dbraw/zinc/39/44/32/1029394432.db2.gz YXNYXKFKJMELGG-XJABCFGWSA-N 1 0 335.447 4.270 20 30 EIEDRO COc1ccc(Br)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000035256354 1029428339 /nfs/dbraw/zinc/42/83/39/1029428339.db2.gz LDJKWDACALCSDG-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO C=C(C)CN(CC)C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000278552215 1029482449 /nfs/dbraw/zinc/48/24/49/1029482449.db2.gz HLOSPOKNCWKIHW-UHFFFAOYSA-N 1 0 338.455 4.316 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC2CCN(c3ccccc3)CC2)cc1 ZINC000475288712 1029501299 /nfs/dbraw/zinc/50/12/99/1029501299.db2.gz UAFPQPXAYOEWIJ-UHFFFAOYSA-N 1 0 336.479 4.258 20 30 EIEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCCCC(C)(C)C#N)ccc2NC1=O ZINC000278564084 1029502108 /nfs/dbraw/zinc/50/21/08/1029502108.db2.gz BPRRRGQBCVSKSE-RHSMWYFYSA-N 1 0 343.471 4.167 20 30 EIEDRO Cn1cc(C[NH+]2CCC(C)(c3ccc(Cl)cc3)CC2)cc1C#N ZINC000475295846 1029505956 /nfs/dbraw/zinc/50/59/56/1029505956.db2.gz KJPSNNFSGGCQSX-UHFFFAOYSA-N 1 0 327.859 4.104 20 30 EIEDRO CC(C)C[N@H+](CCC(=O)N(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000441158018 1029647307 /nfs/dbraw/zinc/64/73/07/1029647307.db2.gz OTNMCEIPGLHFPE-UHFFFAOYSA-N 1 0 349.478 4.069 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1ccc(OCC#N)cc1 ZINC000192942770 1029651363 /nfs/dbraw/zinc/65/13/63/1029651363.db2.gz LLLYGCKQSQTNCL-CYBMUJFWSA-N 1 0 332.350 4.041 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000192945510 1029651552 /nfs/dbraw/zinc/65/15/52/1029651552.db2.gz VQDHBYFBXDUGAL-ZDUSSCGKSA-N 1 0 332.350 4.041 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1 ZINC000278658517 1029655935 /nfs/dbraw/zinc/65/59/35/1029655935.db2.gz QHCJGZUGENZSGC-WFASDCNBSA-N 1 0 329.831 4.353 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000657832033 1029656021 /nfs/dbraw/zinc/65/60/21/1029656021.db2.gz GCBYLQZBNKWZJZ-FXAWDEMLSA-N 1 0 326.484 4.034 20 30 EIEDRO COc1ccc([C@H]2CCCN2Cc2cccc(F)c2C#N)cc1OC ZINC000428461117 1029658634 /nfs/dbraw/zinc/65/86/34/1029658634.db2.gz HYFGLDRTUPMVSM-GOSISDBHSA-N 1 0 340.398 4.052 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301160756 1029679123 /nfs/dbraw/zinc/67/91/23/1029679123.db2.gz FTOUQLUGQXRVKX-UHFFFAOYSA-N 1 0 343.349 4.066 20 30 EIEDRO C=CCC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000343698416 1029688780 /nfs/dbraw/zinc/68/87/80/1029688780.db2.gz ABGBYNACOUQGLH-FQEVSTJZSA-N 1 0 338.451 4.321 20 30 EIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C12CCCCC2 ZINC000525640853 1029721018 /nfs/dbraw/zinc/72/10/18/1029721018.db2.gz FIGDLTJFEBYVJZ-RTBURBONSA-N 1 0 330.447 4.257 20 30 EIEDRO CC[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000278735355 1029751375 /nfs/dbraw/zinc/75/13/75/1029751375.db2.gz MZKAYDCTFAHEMI-VGSWGCGISA-N 1 0 348.494 4.220 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000179085247 1029822421 /nfs/dbraw/zinc/82/24/21/1029822421.db2.gz YDODBFFUVPTWPU-UHFFFAOYSA-N 1 0 338.304 4.037 20 30 EIEDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CC3 ZINC000611863528 1029872926 /nfs/dbraw/zinc/87/29/26/1029872926.db2.gz AUBQSDUUSHSMNY-WMLDXEAASA-N 1 0 345.446 4.256 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cnns1)c1ccc(C(F)(F)F)cc1 ZINC000450687748 1029898444 /nfs/dbraw/zinc/89/84/44/1029898444.db2.gz VRTIETNUOQVDPZ-AWEZNQCLSA-N 1 0 327.375 4.354 20 30 EIEDRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1ccc(OCC#N)cc1 ZINC000181586648 1029900775 /nfs/dbraw/zinc/90/07/75/1029900775.db2.gz WCIPAUMIDBLGFU-VGSWGCGISA-N 1 0 343.430 4.424 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447522044 1030118347 /nfs/dbraw/zinc/11/83/47/1030118347.db2.gz XRRWHYPRRDAURT-JOCHJYFZSA-N 1 0 333.479 4.264 20 30 EIEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000185192246 1030122250 /nfs/dbraw/zinc/12/22/50/1030122250.db2.gz UVWWJOAENLHOEA-VQTJNVASSA-N 1 0 330.472 4.052 20 30 EIEDRO CC[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000447530809 1030123533 /nfs/dbraw/zinc/12/35/33/1030123533.db2.gz NSOGMKMHTPVQNZ-FCHUYYIVSA-N 1 0 333.479 4.436 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 ZINC000447530250 1030125524 /nfs/dbraw/zinc/12/55/24/1030125524.db2.gz NVVVYXBZYVSNCG-KXBFYZLASA-N 1 0 338.451 4.247 20 30 EIEDRO CC[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1ccc(C#N)cc1 ZINC000447533376 1030136151 /nfs/dbraw/zinc/13/61/51/1030136151.db2.gz RBJXAXMVHXIUHS-NRFANRHFSA-N 1 0 330.435 4.044 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2OC)C1)c1ccc(C#N)cc1 ZINC000447534254 1030139607 /nfs/dbraw/zinc/13/96/07/1030139607.db2.gz VWPHPTBGINXWJK-UYAOXDASSA-N 1 0 349.478 4.134 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447562122 1030170586 /nfs/dbraw/zinc/17/05/86/1030170586.db2.gz KRTHMAVTPMUBMG-WTNAPCKOSA-N 1 0 333.479 4.434 20 30 EIEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)c1nc(-c2ccccc2F)c(C)s1 ZINC000451166226 1030294084 /nfs/dbraw/zinc/29/40/84/1030294084.db2.gz NILYUSZBXWXERC-AWEZNQCLSA-N 1 0 348.487 4.409 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000657891360 1030334972 /nfs/dbraw/zinc/33/49/72/1030334972.db2.gz WVEOIXHAYMDXCD-TZIWHRDSSA-N 1 0 340.511 4.263 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000526944621 1030339534 /nfs/dbraw/zinc/33/95/34/1030339534.db2.gz GOSJLLZUFKZPDM-LSDHHAIUSA-N 1 0 330.497 4.365 20 30 EIEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000451286204 1030371489 /nfs/dbraw/zinc/37/14/89/1030371489.db2.gz CMKJCIDOICSDPY-LJQANCHMSA-N 1 0 345.512 4.141 20 30 EIEDRO CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000127517956 1030385043 /nfs/dbraw/zinc/38/50/43/1030385043.db2.gz PQESQQWBNMELEY-CVEARBPZSA-N 1 0 335.451 4.359 20 30 EIEDRO N#CCCC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188191219 1030388230 /nfs/dbraw/zinc/38/82/30/1030388230.db2.gz VTRRTGGLXWTACA-OAHLLOKOSA-N 1 0 325.225 4.323 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000393764165 1030396259 /nfs/dbraw/zinc/39/62/59/1030396259.db2.gz BJJJPDRPPCKLRJ-CYBMUJFWSA-N 1 0 340.261 4.055 20 30 EIEDRO N#Cc1cc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)ccc1F ZINC000611938750 1030414169 /nfs/dbraw/zinc/41/41/69/1030414169.db2.gz VCUXKKODEVOIRJ-OAQYLSRUSA-N 1 0 337.442 4.014 20 30 EIEDRO C=C(C)CN(CC)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000302876805 1030422062 /nfs/dbraw/zinc/42/20/62/1030422062.db2.gz PEWJYQXSLIQFQM-HXUWFJFHSA-N 1 0 338.451 4.273 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000480599004 1030497488 /nfs/dbraw/zinc/49/74/88/1030497488.db2.gz CMSKNQKKQGOEKH-HXUWFJFHSA-N 1 0 340.854 4.045 20 30 EIEDRO C=CCCCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000448010866 1030504476 /nfs/dbraw/zinc/50/44/76/1030504476.db2.gz ORIAUSABESXQBM-UHFFFAOYSA-N 1 0 329.488 4.049 20 30 EIEDRO C=C(C)C[N@@H+](CC)CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1 ZINC000024959725 1030586863 /nfs/dbraw/zinc/58/68/63/1030586863.db2.gz MEYVHGGVTQYAGP-HXUWFJFHSA-N 1 0 342.508 4.160 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1 ZINC000530668526 1030625544 /nfs/dbraw/zinc/62/55/44/1030625544.db2.gz HCRXXGPVPNPFSU-KRWDZBQOSA-N 1 0 347.462 4.114 20 30 EIEDRO CC[NH+](CC)[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccco1 ZINC000255618619 1030676102 /nfs/dbraw/zinc/67/61/02/1030676102.db2.gz JGIIYOYRGLNYHE-PKIWBCANSA-N 1 0 337.423 4.035 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1OC ZINC000192975260 1030729623 /nfs/dbraw/zinc/72/96/23/1030729623.db2.gz LLVCQJWSDCADQI-UHFFFAOYSA-N 1 0 334.419 4.098 20 30 EIEDRO C=C(C)[C@@H]([NH2+][C@H](COC)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000657983345 1030745494 /nfs/dbraw/zinc/74/54/94/1030745494.db2.gz SMHYQLJXIPACTA-QFBILLFUSA-N 1 0 339.426 4.003 20 30 EIEDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3sccc3C#N)c2C1 ZINC000102733165 1030751160 /nfs/dbraw/zinc/75/11/60/1030751160.db2.gz VADCZOYZPVAHCR-UHFFFAOYSA-N 1 0 339.464 4.234 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000658013254 1030763984 /nfs/dbraw/zinc/76/39/84/1030763984.db2.gz GJOKYIMLXYNNTJ-XHSDSOJGSA-N 1 0 346.437 4.044 20 30 EIEDRO C[NH+](C)C[C@H](NCc1ccccc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000527806478 1030865318 /nfs/dbraw/zinc/86/53/18/1030865318.db2.gz FNFLMDIPXUCVRC-SFHVURJKSA-N 1 0 348.277 4.258 20 30 EIEDRO C=CCOCCC[NH2+][C@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000658208131 1030881817 /nfs/dbraw/zinc/88/18/17/1030881817.db2.gz XXNWKZKQWLFVES-OAHLLOKOSA-N 1 0 329.440 4.100 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)cc1F ZINC000103474948 1030898961 /nfs/dbraw/zinc/89/89/61/1030898961.db2.gz KFNHAMAEMMJMLL-UHFFFAOYSA-N 1 0 348.425 4.152 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCc2nc(C)c(C)s2)ccc1OC ZINC000122628306 1030913183 /nfs/dbraw/zinc/91/31/83/1030913183.db2.gz ZBYGIFILOIJQPV-UHFFFAOYSA-N 1 0 346.496 4.056 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3sccc3C#N)cc2)C1 ZINC000052031425 1030951289 /nfs/dbraw/zinc/95/12/89/1030951289.db2.gz OBKAYMZMKZEQFO-AWEZNQCLSA-N 1 0 339.464 4.104 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1cccc(C#N)c1 ZINC000610830127 1031036184 /nfs/dbraw/zinc/03/61/84/1031036184.db2.gz FVCYRMCAJDIJMM-WWMYMODYSA-N 1 0 325.500 4.252 20 30 EIEDRO C[C@@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000532465331 1031120085 /nfs/dbraw/zinc/12/00/85/1031120085.db2.gz YVUUJOHROUJZFL-CBGDNZLLSA-N 1 0 325.500 4.252 20 30 EIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1cccc(C#N)c1 ZINC000237538650 1031128899 /nfs/dbraw/zinc/12/88/99/1031128899.db2.gz YBERQVPLLQGQOH-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CCCCC#N)cc1OC ZINC000102401711 1031257905 /nfs/dbraw/zinc/25/79/05/1031257905.db2.gz ULRXEJOJDZWDKD-SFHVURJKSA-N 1 0 330.472 4.185 20 30 EIEDRO C=CCOC(=O)N1CCCC2(CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC001168209993 1031275685 /nfs/dbraw/zinc/27/56/85/1031275685.db2.gz BLGGPLJEZSFWDY-UHFFFAOYSA-N 1 0 334.504 4.066 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccccc1OC(F)F ZINC000179719124 1031275544 /nfs/dbraw/zinc/27/55/44/1031275544.db2.gz QTSNZCSXYZUUOI-INIZCTEOSA-N 1 0 346.377 4.409 20 30 EIEDRO CCC(CC)[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000179790108 1031287858 /nfs/dbraw/zinc/28/78/58/1031287858.db2.gz NZFGSBCGMVFASE-GOSISDBHSA-N 1 0 341.480 4.325 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H](CCSC)C(C)(C)O)cc1 ZINC001168217129 1031324999 /nfs/dbraw/zinc/32/49/99/1031324999.db2.gz NJJQRWZRQRMBFF-RBUKOAKNSA-N 1 0 348.556 4.314 20 30 EIEDRO N#Cc1ccc(C2=CCN(Cc3ccnn3C3CCCC3)CC2)cc1 ZINC000449042762 1031397287 /nfs/dbraw/zinc/39/72/87/1031397287.db2.gz UQCLCJLVYRYTKY-UHFFFAOYSA-N 1 0 332.451 4.159 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000449073714 1031428527 /nfs/dbraw/zinc/42/85/27/1031428527.db2.gz NSJSLHVQQWPWIB-OALUTQOASA-N 1 0 347.506 4.304 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000449078534 1031434828 /nfs/dbraw/zinc/43/48/28/1031434828.db2.gz YHSVQYBVPVGOCS-UHFFFAOYSA-N 1 0 340.389 4.328 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCN(C(=O)c2ccoc2C)CC1)c1ccco1 ZINC000375887187 1031435310 /nfs/dbraw/zinc/43/53/10/1031435310.db2.gz IHLRNEJVNBFJEB-SFHVURJKSA-N 1 0 342.439 4.083 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000449097754 1031440277 /nfs/dbraw/zinc/44/02/77/1031440277.db2.gz MZYYMZUEYKIDAD-LPHOPBHVSA-N 1 0 330.472 4.029 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2ccc(F)c(Br)c2)CC1 ZINC000449102508 1031443662 /nfs/dbraw/zinc/44/36/62/1031443662.db2.gz YVLYWFZPWBMEEK-UHFFFAOYSA-N 1 0 339.252 4.193 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)cc1Br ZINC000449110100 1031446916 /nfs/dbraw/zinc/44/69/16/1031446916.db2.gz AVBYVSHCUOFWQA-UHFFFAOYSA-N 1 0 337.261 4.020 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000449113363 1031471963 /nfs/dbraw/zinc/47/19/63/1031471963.db2.gz AORPSJBZDBCHLJ-SFHVURJKSA-N 1 0 328.500 4.324 20 30 EIEDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCc3cc(C#N)ccc31)C2 ZINC000612419684 1031501659 /nfs/dbraw/zinc/50/16/59/1031501659.db2.gz HLUGKBYNWOIZEQ-DENIHFKCSA-N 1 0 332.447 4.091 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccccc1F ZINC000531715871 1031503107 /nfs/dbraw/zinc/50/31/07/1031503107.db2.gz QEYJXMJWKKNSCW-GOEBONIOSA-N 1 0 341.405 4.156 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+][C@@H](c1nccn1C)c1ccc(OC)cc1 ZINC000449218077 1031551934 /nfs/dbraw/zinc/55/19/34/1031551934.db2.gz FFTQCVAWSBLVPM-QFBILLFUSA-N 1 0 327.472 4.243 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+][C@H](c1nccn1C)c1ccc(OC)cc1 ZINC000449218075 1031552430 /nfs/dbraw/zinc/55/24/30/1031552430.db2.gz FFTQCVAWSBLVPM-APWZRJJASA-N 1 0 327.472 4.243 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000449253621 1031569582 /nfs/dbraw/zinc/56/95/82/1031569582.db2.gz TWLPQHAZKDCTOV-NBIFXARBSA-N 1 0 336.838 4.371 20 30 EIEDRO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000065959593 1031625801 /nfs/dbraw/zinc/62/58/01/1031625801.db2.gz ZBEDBRJHDZXROS-UHFFFAOYSA-N 1 0 348.490 4.153 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449331623 1031627028 /nfs/dbraw/zinc/62/70/28/1031627028.db2.gz OOPUMGIMPGQIOF-CQSZACIVSA-N 1 0 339.252 4.495 20 30 EIEDRO COc1cc(C[N@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)ccc1C#N ZINC000449364876 1031659984 /nfs/dbraw/zinc/65/99/84/1031659984.db2.gz RTMDGZDGKJGLJY-ZOWXZIJZSA-N 1 0 326.362 4.118 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000449369855 1031665209 /nfs/dbraw/zinc/66/52/09/1031665209.db2.gz VNDRMYQTTSYMOT-UHFFFAOYSA-N 1 0 332.325 4.236 20 30 EIEDRO N#Cc1c(F)ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1Cl ZINC000365451105 1031677344 /nfs/dbraw/zinc/67/73/44/1031677344.db2.gz DXOMRKYAKGBXKA-HNAYVOBHSA-N 1 0 344.817 4.218 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cc(C)cs2)cc1OCCCC#N ZINC000449481801 1031780445 /nfs/dbraw/zinc/78/04/45/1031780445.db2.gz VTYGNBCPFUXZCR-UHFFFAOYSA-N 1 0 330.453 4.038 20 30 EIEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C1CCC1 ZINC000449487088 1031797159 /nfs/dbraw/zinc/79/71/59/1031797159.db2.gz WPXFAAVMDMXDEP-UHFFFAOYSA-N 1 0 336.483 4.380 20 30 EIEDRO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(Cl)cc1 ZINC000453241972 1031797766 /nfs/dbraw/zinc/79/77/66/1031797766.db2.gz ZSHWRKMVBYAGFG-INIZCTEOSA-N 1 0 330.863 4.082 20 30 EIEDRO C=CCC1([NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CCCCC1 ZINC000449577067 1031857982 /nfs/dbraw/zinc/85/79/82/1031857982.db2.gz VOQYUOKQEWNGOO-MRXNPFEDSA-N 1 0 335.513 4.062 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C2(C)CC2)ccc1Cl ZINC000347373592 1031863640 /nfs/dbraw/zinc/86/36/40/1031863640.db2.gz LZLUSNLUEBLPMF-HNNXBMFYSA-N 1 0 347.890 4.016 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(F)c1 ZINC000531971012 1031909768 /nfs/dbraw/zinc/90/97/68/1031909768.db2.gz IFGRDZYXZAESIO-KDOFPFPSSA-N 1 0 341.405 4.156 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000449670066 1031917323 /nfs/dbraw/zinc/91/73/23/1031917323.db2.gz OMEGUZYPWHFVMO-NRFANRHFSA-N 1 0 325.500 4.081 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCC2CC(F)(F)C2)ccc1OC ZINC000453591476 1032036774 /nfs/dbraw/zinc/03/67/74/1032036774.db2.gz QSOQQYBTJBOEQO-UHFFFAOYSA-N 1 0 325.399 4.175 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cnc(-c3ccccn3)s2)cc1 ZINC000512557075 1033340723 /nfs/dbraw/zinc/34/07/23/1033340723.db2.gz KZLVKRUMRHSAMK-UHFFFAOYSA-N 1 0 337.448 4.060 20 30 EIEDRO C[C@@H]([NH2+]CCCN(C)c1ccccc1F)c1ccc(C#N)cc1F ZINC000512620574 1033509335 /nfs/dbraw/zinc/50/93/35/1033509335.db2.gz RDEXZDNGUUMARF-CQSZACIVSA-N 1 0 329.394 4.014 20 30 EIEDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CCO2 ZINC000614160941 1033532112 /nfs/dbraw/zinc/53/21/12/1033532112.db2.gz XTMUNZLORUYGPV-LEWJYISDSA-N 1 0 348.446 4.448 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000512626604 1033540082 /nfs/dbraw/zinc/54/00/82/1033540082.db2.gz VNJMOUMKGBUHBV-HOCLYGCPSA-N 1 0 341.405 4.014 20 30 EIEDRO CC(C)(C#N)c1ccc(CN2CCO[C@@H](c3cccc(F)c3)C2)cc1 ZINC000614166846 1033549770 /nfs/dbraw/zinc/54/97/70/1033549770.db2.gz SJJBWGJQGDWXOU-HXUWFJFHSA-N 1 0 338.426 4.200 20 30 EIEDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168195 1033554816 /nfs/dbraw/zinc/55/48/16/1033554816.db2.gz XLPBYCUQPXPTAF-GOSISDBHSA-N 1 0 334.463 4.486 20 30 EIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C12CCC2 ZINC000614174557 1033573067 /nfs/dbraw/zinc/57/30/67/1033573067.db2.gz ZLUSCTALUIVBQG-RBUKOAKNSA-N 1 0 326.484 4.267 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1F ZINC000614180128 1033595261 /nfs/dbraw/zinc/59/52/61/1033595261.db2.gz YKWAFQHCSFAIDD-CQSZACIVSA-N 1 0 326.415 4.486 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000614176903 1033596264 /nfs/dbraw/zinc/59/62/64/1033596264.db2.gz CIQHOSXQGZULNU-QFIPXVFZSA-N 1 0 348.490 4.261 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)c1ccc(C#N)cc1F ZINC000512649501 1033606599 /nfs/dbraw/zinc/60/65/99/1033606599.db2.gz SGFNFMLVBGUXFL-LPHOPBHVSA-N 1 0 337.442 4.013 20 30 EIEDRO CCCOc1cccc(CC[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512656354 1033628798 /nfs/dbraw/zinc/62/87/98/1033628798.db2.gz ZIRHJLPGTVDZLV-OAHLLOKOSA-N 1 0 326.415 4.379 20 30 EIEDRO CCCCCn1cc(CN[C@@H](C)c2ccc(C#N)cc2F)c(C)n1 ZINC000512656460 1033628890 /nfs/dbraw/zinc/62/88/90/1033628890.db2.gz ZWEQBENPZILWAR-HNNXBMFYSA-N 1 0 328.435 4.243 20 30 EIEDRO C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512654744 1033630519 /nfs/dbraw/zinc/63/05/19/1033630519.db2.gz OJGVVDQZNJLLNR-BRWVUGGUSA-N 1 0 331.479 4.106 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512662341 1033650995 /nfs/dbraw/zinc/65/09/95/1033650995.db2.gz WNIJWOXOQSXREW-TXPKVOOTSA-N 1 0 337.442 4.183 20 30 EIEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000433015219 1033655281 /nfs/dbraw/zinc/65/52/81/1033655281.db2.gz JGSWVOWXYSCPSA-SFHVURJKSA-N 1 0 341.842 4.303 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666056 1033663066 /nfs/dbraw/zinc/66/30/66/1033663066.db2.gz IJBWLFVHDMZQSX-KKSFZXQISA-N 1 0 337.442 4.185 20 30 EIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000512666762 1033664037 /nfs/dbraw/zinc/66/40/37/1033664037.db2.gz MBZCKAJBLFIYFC-CJNGLKHVSA-N 1 0 330.378 4.345 20 30 EIEDRO N#CC1(CC[NH+]2CCN(C/C=C\c3ccccc3)CC2)CCCCC1 ZINC000411159588 1033690289 /nfs/dbraw/zinc/69/02/89/1033690289.db2.gz YWOJMTQJKLZFQN-YFHOEESVSA-N 1 0 337.511 4.182 20 30 EIEDRO COC(=O)c1ccc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1F ZINC000433035074 1033714614 /nfs/dbraw/zinc/71/46/14/1033714614.db2.gz KNIGOBVPCJRRIU-IBGZPJMESA-N 1 0 340.398 4.137 20 30 EIEDRO CC(C)c1nc(C2CC[NH+](CCC3(C#N)CCCCC3)CC2)no1 ZINC000411208919 1033730595 /nfs/dbraw/zinc/73/05/95/1033730595.db2.gz MSECXJTWMMFTPZ-UHFFFAOYSA-N 1 0 330.476 4.237 20 30 EIEDRO C=C(C)CC[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000419234937 1033819949 /nfs/dbraw/zinc/81/99/49/1033819949.db2.gz IQESIACLSPGBLH-HXUWFJFHSA-N 1 0 338.451 4.239 20 30 EIEDRO CC[NH+](CC)CC(=O)Nc1nc(-c2ccc(SC)cc2)cs1 ZINC000051880680 1033893159 /nfs/dbraw/zinc/89/31/59/1033893159.db2.gz QFKHUZBFVQWVEN-UHFFFAOYSA-N 1 0 335.498 4.462 20 30 EIEDRO N#Cc1cccc(NC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000512777149 1033924371 /nfs/dbraw/zinc/92/43/71/1033924371.db2.gz AHWNNGUZQBJLPI-UHFFFAOYSA-N 1 0 325.843 4.288 20 30 EIEDRO C=C(CC)C[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000419268615 1033994340 /nfs/dbraw/zinc/99/43/40/1033994340.db2.gz AESJTFAXITVXPG-FQEVSTJZSA-N 1 0 338.451 4.321 20 30 EIEDRO N#CC1(CC[NH+]2CCC(c3ncc4n3CCCC4)CC2)CCCCC1 ZINC000411669849 1034038966 /nfs/dbraw/zinc/03/89/66/1034038966.db2.gz KLCVEZDNXAWMAV-UHFFFAOYSA-N 1 0 340.515 4.263 20 30 EIEDRO C=CCOCC[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000679486499 1034242180 /nfs/dbraw/zinc/24/21/80/1034242180.db2.gz OIZHEYRYXMKWLW-UHFFFAOYSA-N 1 0 325.330 4.258 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419331733 1034308251 /nfs/dbraw/zinc/30/82/51/1034308251.db2.gz RTZBIHRLDZSUFB-HUUCEWRRSA-N 1 0 333.501 4.095 20 30 EIEDRO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419334067 1034325553 /nfs/dbraw/zinc/32/55/53/1034325553.db2.gz UYWJHSQQBDSWNB-SJORKVTESA-N 1 0 338.455 4.255 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(C)cc1 ZINC000120532078 1034409255 /nfs/dbraw/zinc/40/92/55/1034409255.db2.gz UIWIYWAMLDGXNL-KRWDZBQOSA-N 1 0 341.842 4.200 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000513078476 1034502824 /nfs/dbraw/zinc/50/28/24/1034502824.db2.gz XXQORADZSIXRLG-BHIYHBOVSA-N 1 0 326.465 4.061 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000614402555 1034550806 /nfs/dbraw/zinc/55/08/06/1034550806.db2.gz JEKWDPQLTAMVDT-AUSIDOKSSA-N 1 0 347.506 4.352 20 30 EIEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000729316528 1034782125 /nfs/dbraw/zinc/78/21/25/1034782125.db2.gz LRCVRALZUSZZNE-LEWJYISDSA-N 1 0 347.462 4.155 20 30 EIEDRO CC(C)c1cccc(NC(=[NH2+])N[C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000261714161 1034845701 /nfs/dbraw/zinc/84/57/01/1034845701.db2.gz KGKTZFHONVSSBU-BSEYFRJRSA-N 1 0 343.496 4.035 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000513467553 1034968348 /nfs/dbraw/zinc/96/83/48/1034968348.db2.gz WVNKVDFQITVIFY-LJQANCHMSA-N 1 0 338.426 4.498 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000513501820 1034999867 /nfs/dbraw/zinc/99/98/67/1034999867.db2.gz VSSPHIAIOYUELQ-GOSISDBHSA-N 1 0 344.430 4.347 20 30 EIEDRO Fc1cc(F)c(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1F ZINC000430024861 1035014114 /nfs/dbraw/zinc/01/41/14/1035014114.db2.gz JKGROYGDICEYQT-JGVFFNPUSA-N 1 0 329.259 4.454 20 30 EIEDRO Cc1ccccc1C[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000513659836 1035094621 /nfs/dbraw/zinc/09/46/21/1035094621.db2.gz DMEINLPOVZSXCI-GOSISDBHSA-N 1 0 333.479 4.056 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)c1ccc(C#N)cc1 ZINC000280235272 1035210868 /nfs/dbraw/zinc/21/08/68/1035210868.db2.gz VNCGKNYOIIBOFQ-VXGBXAGGSA-N 1 0 330.229 4.128 20 30 EIEDRO CCCCN(C(=O)c1cc(C#N)oc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000280530726 1035283418 /nfs/dbraw/zinc/28/34/18/1035283418.db2.gz BXRSGJQXKTXHFP-UHFFFAOYSA-N 1 0 345.487 4.011 20 30 EIEDRO Cc1cccc(CC2(O)CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000280534766 1035290435 /nfs/dbraw/zinc/29/04/35/1035290435.db2.gz PFUMASBSTQSVRO-UHFFFAOYSA-N 1 0 328.500 4.085 20 30 EIEDRO CC(C)C[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000501106259 1035378282 /nfs/dbraw/zinc/37/82/82/1035378282.db2.gz OCCOSOBQVBUBTO-QGZVFWFLSA-N 1 0 347.890 4.097 20 30 EIEDRO CCCOc1ccc(Br)cc1C[NH2+]CC1(CC#N)CC1 ZINC000430037053 1035420404 /nfs/dbraw/zinc/42/04/04/1035420404.db2.gz RLCPNEVENHEBPM-UHFFFAOYSA-N 1 0 337.261 4.021 20 30 EIEDRO C=C(CC(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001625924001 1035388290 /nfs/dbraw/zinc/38/82/90/1035388290.db2.gz AXMORBBZMIANGG-IBGZPJMESA-N 1 0 328.500 4.006 20 30 EIEDRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)n[nH]1)CC1(C#N)CC1 ZINC000501540272 1035461708 /nfs/dbraw/zinc/46/17/08/1035461708.db2.gz OIWGUQPABGIMIB-UHFFFAOYSA-N 1 0 340.446 4.164 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCC(F)CC1 ZINC000594991038 1035519497 /nfs/dbraw/zinc/51/94/97/1035519497.db2.gz YDQAFPFTXHOKSG-FAEJEUNOSA-N 1 0 329.463 4.033 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCC(F)CC1 ZINC000594988716 1035520637 /nfs/dbraw/zinc/52/06/37/1035520637.db2.gz BWHUWJGWKHLPBI-PBPGXSGUSA-N 1 0 343.490 4.029 20 30 EIEDRO CO[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)C1CCCCC1 ZINC000594997919 1035525262 /nfs/dbraw/zinc/52/52/62/1035525262.db2.gz RTPZUJYLZJKKBR-FQEVSTJZSA-N 1 0 330.472 4.054 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccc(F)cc1OC(F)F ZINC000595056785 1035534974 /nfs/dbraw/zinc/53/49/74/1035534974.db2.gz WIXGIGRXADVJCX-GFCCVEGCSA-N 1 0 334.341 4.192 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CCc2ccc(C#N)cc2)ccc1OC(F)F ZINC000595056071 1035537728 /nfs/dbraw/zinc/53/77/28/1035537728.db2.gz QGIBWMLLKHBNAG-ZDUSSCGKSA-N 1 0 346.377 4.062 20 30 EIEDRO Cn1cc(C[N@H+](C)C2CCC(C)(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000490597293 1035544181 /nfs/dbraw/zinc/54/41/81/1035544181.db2.gz MEZPOAHVNKKAIT-UHFFFAOYSA-N 1 0 336.483 4.359 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000484998024 1035554251 /nfs/dbraw/zinc/55/42/51/1035554251.db2.gz ULPRWBWHCIRNEA-JKSUJKDBSA-N 1 0 328.456 4.205 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000595048571 1035567904 /nfs/dbraw/zinc/56/79/04/1035567904.db2.gz WRGUZBGAHJSTRT-IFMALSPDSA-N 1 0 337.511 4.247 20 30 EIEDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000595104978 1035586872 /nfs/dbraw/zinc/58/68/72/1035586872.db2.gz BZBSOKRRFMQBBK-CCKJBCASSA-N 1 0 348.490 4.145 20 30 EIEDRO CC(C)[C@H](O)[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595096892 1035602592 /nfs/dbraw/zinc/60/25/92/1035602592.db2.gz NRZXUQDTVVMOTL-FSSWDIPSSA-N 1 0 334.463 4.283 20 30 EIEDRO CC(C)[C@H](O)[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595096890 1035606997 /nfs/dbraw/zinc/60/69/97/1035606997.db2.gz NRZXUQDTVVMOTL-BDTNDASRSA-N 1 0 334.463 4.283 20 30 EIEDRO C[N@H+](CCc1ccc(C#N)cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000595299024 1035625825 /nfs/dbraw/zinc/62/58/25/1035625825.db2.gz VEVBEYOZLIONPF-FGZHOGPDSA-N 1 0 334.463 4.200 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000595621561 1035735077 /nfs/dbraw/zinc/73/50/77/1035735077.db2.gz WGQKXZLWYOZZPW-KRWDZBQOSA-N 1 0 333.435 4.065 20 30 EIEDRO Cc1cccc(C)c1NC(=O)CCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595635491 1035742058 /nfs/dbraw/zinc/74/20/58/1035742058.db2.gz LAXZKFNASIHTQJ-UHFFFAOYSA-N 1 0 349.478 4.419 20 30 EIEDRO C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614395 1035750100 /nfs/dbraw/zinc/75/01/00/1035750100.db2.gz HJMZHALZFUXEJE-KSZLIROESA-N 1 0 349.478 4.031 20 30 EIEDRO CCn1c(C[NH2+]C(C)(C)c2cccc(C#N)c2)nc2c1cccc2F ZINC000595639548 1035754500 /nfs/dbraw/zinc/75/45/00/1035754500.db2.gz MFVJZZDUHFWYKD-UHFFFAOYSA-N 1 0 336.414 4.092 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000595676572 1035763104 /nfs/dbraw/zinc/76/31/04/1035763104.db2.gz PSZJWFHTULPWGV-HXUWFJFHSA-N 1 0 349.434 4.097 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595751080 1035785143 /nfs/dbraw/zinc/78/51/43/1035785143.db2.gz VFRWBFKWIKXIIX-AWEZNQCLSA-N 1 0 329.271 4.289 20 30 EIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593124916 1035796066 /nfs/dbraw/zinc/79/60/66/1035796066.db2.gz LHWLTVCMQUQRGZ-BVSLBCMMSA-N 1 0 348.446 4.061 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccc(C#N)cc1 ZINC000596094799 1035821061 /nfs/dbraw/zinc/82/10/61/1035821061.db2.gz MFRJVFCLWHBSRS-VQTJNVASSA-N 1 0 342.446 4.472 20 30 EIEDRO N#CCCC[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000596093141 1035821613 /nfs/dbraw/zinc/82/16/13/1035821613.db2.gz SNJPPPQIJNEYRG-CYBMUJFWSA-N 1 0 325.275 4.269 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)ccn1 ZINC000586776721 1035833656 /nfs/dbraw/zinc/83/36/56/1035833656.db2.gz QQNLCIIHWYACBL-QGZVFWFLSA-N 1 0 347.340 4.093 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000586788431 1035848346 /nfs/dbraw/zinc/84/83/46/1035848346.db2.gz UIJQEPOISHXCSS-QGZVFWFLSA-N 1 0 349.478 4.277 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(C)c1OC ZINC000586794277 1035849294 /nfs/dbraw/zinc/84/92/94/1035849294.db2.gz JQXUYAADQJXXPE-CYBMUJFWSA-N 1 0 344.842 4.388 20 30 EIEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000586793848 1035849651 /nfs/dbraw/zinc/84/96/51/1035849651.db2.gz HUOUSYOXUAQMLL-ZUOKHONESA-N 1 0 326.390 4.435 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)C1 ZINC000586794631 1035849918 /nfs/dbraw/zinc/84/99/18/1035849918.db2.gz ZXDINIIITCCQGQ-AYOQOUSVSA-N 1 0 332.875 4.480 20 30 EIEDRO CCOc1cc2[nH+]ccc(N3CCC[C@@H](CC#N)C3)c2cc1OCC ZINC000596330727 1035854078 /nfs/dbraw/zinc/85/40/78/1035854078.db2.gz NUQQFUGKELAMSA-HNNXBMFYSA-N 1 0 339.439 4.162 20 30 EIEDRO Cc1cc(N2CCC[C@H](CC#N)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000596331844 1035854203 /nfs/dbraw/zinc/85/42/03/1035854203.db2.gz UQTFNEIPKLAKOG-CYBMUJFWSA-N 1 0 331.366 4.275 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)cc1 ZINC000760649191 1035861306 /nfs/dbraw/zinc/86/13/06/1035861306.db2.gz NSIUQONYKDCHSG-UHFFFAOYSA-N 1 0 349.474 4.009 20 30 EIEDRO C[C@H](CCc1ccccc1)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593183563 1035892217 /nfs/dbraw/zinc/89/22/17/1035892217.db2.gz BNUFCTNBBKNCQN-LJQANCHMSA-N 1 0 347.506 4.134 20 30 EIEDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597014901 1036084394 /nfs/dbraw/zinc/08/43/94/1036084394.db2.gz TWHVSNXHDSZWEZ-GOSISDBHSA-N 1 0 332.447 4.240 20 30 EIEDRO COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)on1 ZINC000571607563 1036093668 /nfs/dbraw/zinc/09/36/68/1036093668.db2.gz UVXKEVBJRCZBSF-ZBFHGGJFSA-N 1 0 347.418 4.285 20 30 EIEDRO CC1(C#N)CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000597085543 1036096625 /nfs/dbraw/zinc/09/66/25/1036096625.db2.gz VMZRDTQERRVQFZ-UHFFFAOYSA-N 1 0 333.229 4.321 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000502355963 1036121612 /nfs/dbraw/zinc/12/16/12/1036121612.db2.gz SLFOYJVSDLMJLK-SNCIUUNGSA-N 1 0 338.495 4.329 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000060482936 1036136695 /nfs/dbraw/zinc/13/66/95/1036136695.db2.gz OJPJNQSOCQRSJG-UHFFFAOYSA-N 1 0 338.838 4.307 20 30 EIEDRO N#CC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597174293 1036143026 /nfs/dbraw/zinc/14/30/26/1036143026.db2.gz ORHPKDWLRXTEKI-GOSISDBHSA-N 1 0 345.446 4.263 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000597229408 1036163659 /nfs/dbraw/zinc/16/36/59/1036163659.db2.gz SYMILRBCQRNKSM-WMEQCIOUSA-N 1 0 327.255 4.089 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421355444 1036298327 /nfs/dbraw/zinc/29/83/27/1036298327.db2.gz ZFYANDMNZNCAKY-GFCCVEGCSA-N 1 0 347.871 4.089 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1Br)C1CCC(F)(F)CC1 ZINC000588216178 1036304371 /nfs/dbraw/zinc/30/43/71/1036304371.db2.gz OKBZDUUKKSPDEY-UHFFFAOYSA-N 1 0 343.215 4.330 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc(OC)c1O ZINC000421382156 1036341182 /nfs/dbraw/zinc/34/11/82/1036341182.db2.gz BMLXXORLIFTTCR-CYBMUJFWSA-N 1 0 343.389 4.294 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@@H](CC)CC(F)(F)F)cc(OC)c1O ZINC000414515330 1036363412 /nfs/dbraw/zinc/36/34/12/1036363412.db2.gz LVNOOXBVZUAQLJ-LBPRGKRZSA-N 1 0 331.378 4.198 20 30 EIEDRO C=CC[NH+]1CCC([C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000597982987 1036417906 /nfs/dbraw/zinc/41/79/06/1036417906.db2.gz UCFJOCXZDVTAAW-FQEVSTJZSA-N 1 0 341.499 4.361 20 30 EIEDRO CCOc1cc(C[N@H+](C)C[C@H](C)CCC#N)ccc1OC(F)F ZINC000602438776 1036447528 /nfs/dbraw/zinc/44/75/28/1036447528.db2.gz AEBSDUYIVVEDAH-CYBMUJFWSA-N 1 0 326.387 4.058 20 30 EIEDRO C[C@@H](CCC#N)C[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000602458499 1036456168 /nfs/dbraw/zinc/45/61/68/1036456168.db2.gz MUAYJBGMFORKFX-SCLBCKFNSA-N 1 0 345.874 4.028 20 30 EIEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602485692 1036461639 /nfs/dbraw/zinc/46/16/39/1036461639.db2.gz LASAUMOGHKLJJO-MRXNPFEDSA-N 1 0 347.528 4.005 20 30 EIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC1CCC(C#N)CC1 ZINC000602492676 1036466358 /nfs/dbraw/zinc/46/63/58/1036466358.db2.gz WFXOIIMYBWQMTA-UHFFFAOYSA-N 1 0 329.513 4.038 20 30 EIEDRO CC[C@@H]1C[N@H+](C[C@H](C)CCC#N)[C@H](CC)CN1C[C@H](C)CCC#N ZINC000602494924 1036469041 /nfs/dbraw/zinc/46/90/41/1036469041.db2.gz RAJYMQGHMIIKKY-UAFMIMERSA-N 1 0 332.536 4.041 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000602502724 1036480459 /nfs/dbraw/zinc/48/04/59/1036480459.db2.gz IGJKYKFRGWPSEX-ZDUSSCGKSA-N 1 0 341.282 4.224 20 30 EIEDRO COc1cc([C@H](C)[NH2+]C2CCC(C#N)CC2)ccc1OCC(C)C ZINC000602510271 1036483207 /nfs/dbraw/zinc/48/32/07/1036483207.db2.gz KNPPCIKWNWAOBI-HJOIGYKYSA-N 1 0 330.472 4.463 20 30 EIEDRO CCCOc1ccc(C[NH2+]C2CCC(C#N)CC2)c(OC(F)F)c1 ZINC000602564746 1036496817 /nfs/dbraw/zinc/49/68/17/1036496817.db2.gz CLMHLHHBZVFBHN-UHFFFAOYSA-N 1 0 338.398 4.249 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)n1 ZINC000602566831 1036500800 /nfs/dbraw/zinc/50/08/00/1036500800.db2.gz KUVGEDRMTCGGRM-UHFFFAOYSA-N 1 0 331.341 4.141 20 30 EIEDRO CC(C)N1CC[C@@H]([NH2+]C[C@H](C)CCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000602593527 1036503103 /nfs/dbraw/zinc/50/31/03/1036503103.db2.gz ZMLSZEQSZSUTGJ-NIKGAXFTSA-N 1 0 335.442 4.018 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)Cc1cc(Br)ccc1F ZINC000602581330 1036511242 /nfs/dbraw/zinc/51/12/42/1036511242.db2.gz IBQSOWQQXBJVCR-NEPJUHHUSA-N 1 0 327.241 4.049 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)oc1C ZINC000502706248 1036535089 /nfs/dbraw/zinc/53/50/89/1036535089.db2.gz FRPPTYFZIHTPMC-RHSMWYFYSA-N 1 0 341.430 4.227 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000602632613 1036544520 /nfs/dbraw/zinc/54/45/20/1036544520.db2.gz CVKHVJUOQMXESC-MISYRCLQSA-N 1 0 326.484 4.401 20 30 EIEDRO CC[NH+](CC)Cc1ccc(N[C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602629981 1036544935 /nfs/dbraw/zinc/54/49/35/1036544935.db2.gz NQZQDFJPLIMEMZ-KRWDZBQOSA-N 1 0 329.488 4.039 20 30 EIEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602633837 1036549561 /nfs/dbraw/zinc/54/95/61/1036549561.db2.gz ZZELMEUZXUFQGD-LKSINWNRSA-N 1 0 337.261 4.191 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000602675894 1036553370 /nfs/dbraw/zinc/55/33/70/1036553370.db2.gz WQOKNTBKUOWINZ-HOJAQTOUSA-N 1 0 326.484 4.259 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000602672131 1036554287 /nfs/dbraw/zinc/55/42/87/1036554287.db2.gz OBBFSLSBJVVFIE-SCLBCKFNSA-N 1 0 334.410 4.031 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000602692688 1036566636 /nfs/dbraw/zinc/56/66/36/1036566636.db2.gz XJCROHWTVPUGDZ-INIZCTEOSA-N 1 0 346.902 4.351 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000602680912 1036568606 /nfs/dbraw/zinc/56/86/06/1036568606.db2.gz HKHSZNCWHAZCGG-QMTHXVAHSA-N 1 0 325.225 4.105 20 30 EIEDRO COCC[C@H]([NH2+]C1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000602681762 1036571963 /nfs/dbraw/zinc/57/19/63/1036571963.db2.gz LIVUPPJWUHXAHU-IMRCBTMISA-N 1 0 340.389 4.455 20 30 EIEDRO N#CC1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000602683746 1036572738 /nfs/dbraw/zinc/57/27/38/1036572738.db2.gz RWZLVQTZEXUVSW-QKFMDRJYSA-N 1 0 337.236 4.247 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602701665 1036576098 /nfs/dbraw/zinc/57/60/98/1036576098.db2.gz WRQQJHKYIJTPMS-JTHBVZDNSA-N 1 0 345.490 4.210 20 30 EIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602722734 1036588480 /nfs/dbraw/zinc/58/84/80/1036588480.db2.gz GZKSRJWSUYYEPV-FHWLQOOXSA-N 1 0 336.520 4.049 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000588961677 1036626716 /nfs/dbraw/zinc/62/67/16/1036626716.db2.gz SOGGSCGOTMFGJU-WZRBSPASSA-N 1 0 325.225 4.321 20 30 EIEDRO COCC[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000602837933 1036639777 /nfs/dbraw/zinc/63/97/77/1036639777.db2.gz CFWHSCNCFCVPPR-HNNXBMFYSA-N 1 0 326.362 4.066 20 30 EIEDRO CC1=Nc2ccccc2C12CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC000602864753 1036649096 /nfs/dbraw/zinc/64/90/96/1036649096.db2.gz PJGABARWHISOJF-UHFFFAOYSA-N 1 0 333.410 4.337 20 30 EIEDRO C[C@H](CC[NH+]1CCC(c2ccc(C#N)cn2)CC1)OCc1ccccc1 ZINC000602908821 1036661960 /nfs/dbraw/zinc/66/19/60/1036661960.db2.gz UMGSCEYIGCHQCW-GOSISDBHSA-N 1 0 349.478 4.128 20 30 EIEDRO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893778 1036663984 /nfs/dbraw/zinc/66/39/84/1036663984.db2.gz GVNIMFPXYYCYRG-HNNXBMFYSA-N 1 0 346.434 4.337 20 30 EIEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598602290 1036704086 /nfs/dbraw/zinc/70/40/86/1036704086.db2.gz MXMFKGLOJZSGFT-FUHWJXTLSA-N 1 0 332.488 4.063 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000598591637 1036709633 /nfs/dbraw/zinc/70/96/33/1036709633.db2.gz XIBOTLPMCWKWCI-LJQANCHMSA-N 1 0 340.442 4.129 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000598596836 1036712823 /nfs/dbraw/zinc/71/28/23/1036712823.db2.gz MKCUIEDUQGECJG-IRLDBZIGSA-N 1 0 348.490 4.129 20 30 EIEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598613773 1036714666 /nfs/dbraw/zinc/71/46/66/1036714666.db2.gz XMBHMLSMNSJTBM-ZWKOTPCHSA-N 1 0 342.508 4.231 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000598615994 1036714921 /nfs/dbraw/zinc/71/49/21/1036714921.db2.gz IQHWXGRMOIIRGP-LRDDRELGSA-N 1 0 341.282 4.335 20 30 EIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598613360 1036715025 /nfs/dbraw/zinc/71/50/25/1036715025.db2.gz WBERJZJVJSKRMF-IHRRRGAJSA-N 1 0 342.405 4.088 20 30 EIEDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589311297 1036744681 /nfs/dbraw/zinc/74/46/81/1036744681.db2.gz LQDYPCKHOYNBEP-LBPRGKRZSA-N 1 0 334.341 4.003 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598703386 1036750724 /nfs/dbraw/zinc/75/07/24/1036750724.db2.gz HDCQHIBUSKUYRY-RBUKOAKNSA-N 1 0 342.870 4.320 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000589347297 1036756661 /nfs/dbraw/zinc/75/66/61/1036756661.db2.gz XVJKYQNSHINYAD-FCEUIQTBSA-N 1 0 332.447 4.446 20 30 EIEDRO CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598725759 1036762939 /nfs/dbraw/zinc/76/29/39/1036762939.db2.gz ZQVCIHAEIHQJFF-KRWDZBQOSA-N 1 0 340.467 4.017 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)s1)CCCS2 ZINC000421876839 1036828536 /nfs/dbraw/zinc/82/85/36/1036828536.db2.gz KDMUVANTWNEOLV-INIZCTEOSA-N 1 0 330.478 4.345 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3sc(Br)cc32)s1 ZINC000421869446 1036839889 /nfs/dbraw/zinc/83/98/89/1036839889.db2.gz DTCJLVIASNHURW-NSHDSACASA-N 1 0 339.283 4.221 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cc(Br)cs1 ZINC000421895049 1036844958 /nfs/dbraw/zinc/84/49/58/1036844958.db2.gz YIZGCVXAEPGFBD-QMMMGPOBSA-N 1 0 327.272 4.295 20 30 EIEDRO CC(C)c1cccc([C@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000599028594 1036849913 /nfs/dbraw/zinc/84/99/13/1036849913.db2.gz XFAAKZXUCUSXDQ-KRWDZBQOSA-N 1 0 348.494 4.396 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1cc(C)ccc1C ZINC000599028663 1036850163 /nfs/dbraw/zinc/85/01/63/1036850163.db2.gz ZHSGEFVDKNEBEX-OAQYLSRUSA-N 1 0 348.494 4.280 20 30 EIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cc(F)c(Br)cc1F ZINC000599045172 1036855593 /nfs/dbraw/zinc/85/55/93/1036855593.db2.gz FTGTVNJBYFUDET-VIFPVBQESA-N 1 0 329.188 4.072 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000027449497 1036855940 /nfs/dbraw/zinc/85/59/40/1036855940.db2.gz PWBYUCWTQGZWCL-KSSFIOAISA-N 1 0 339.439 4.082 20 30 EIEDRO Cc1nc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c(Cl)cc1C#N ZINC000589692105 1036866967 /nfs/dbraw/zinc/86/69/67/1036866967.db2.gz YGBSUDUMEBBAJF-INIZCTEOSA-N 1 0 342.830 4.044 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3ccc(Cl)s3)CC2)c1 ZINC000593687548 1036891233 /nfs/dbraw/zinc/89/12/33/1036891233.db2.gz ICWQNZAXEIEFHO-UHFFFAOYSA-N 1 0 345.899 4.027 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]Cc3cc4ccccc4o3)CC2)c1 ZINC000593687070 1036892128 /nfs/dbraw/zinc/89/21/28/1036892128.db2.gz BKOHSYPNAVIKKO-UHFFFAOYSA-N 1 0 345.446 4.059 20 30 EIEDRO COc1cc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)ccc1C#N ZINC000593697785 1036897005 /nfs/dbraw/zinc/89/70/05/1036897005.db2.gz MPHAUMYMZZETRD-ONTIZHBOSA-N 1 0 348.446 4.061 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]CCC3CCCCC3)CC2)c1 ZINC000593695008 1036899056 /nfs/dbraw/zinc/89/90/56/1036899056.db2.gz FNMHQOCYXUDCAS-UHFFFAOYSA-N 1 0 325.500 4.083 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCCC[C@@H]3C3CC3)CC2)c1 ZINC000593701948 1036905667 /nfs/dbraw/zinc/90/56/67/1036905667.db2.gz ILGQFVBAYCXVJD-YADHBBJMSA-N 1 0 337.511 4.081 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@@H](C4CC4)C3)CC2)c1 ZINC000593702266 1036907982 /nfs/dbraw/zinc/90/79/82/1036907982.db2.gz KVNRFKGAHIRTGQ-IRLDBZIGSA-N 1 0 337.511 4.081 20 30 EIEDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1C#N ZINC000599276957 1036933750 /nfs/dbraw/zinc/93/37/50/1036933750.db2.gz HALUILSWXKOWQS-IFMALSPDSA-N 1 0 334.463 4.466 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c(C)o1 ZINC000593721038 1036935662 /nfs/dbraw/zinc/93/56/62/1036935662.db2.gz JIZLEJNMBPYWHT-MRXNPFEDSA-N 1 0 337.467 4.083 20 30 EIEDRO CC[C@@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1ccc(C#N)cc1 ZINC000593721806 1036937804 /nfs/dbraw/zinc/93/78/04/1036937804.db2.gz LVBUPYNWIVZZFE-NHCUHLMSSA-N 1 0 344.462 4.316 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H](c3ccccc3)C3CC3)CC2)c1 ZINC000593721898 1036937864 /nfs/dbraw/zinc/93/78/64/1036937864.db2.gz NBEALVJFXSAYBU-QHCPKHFHSA-N 1 0 345.490 4.264 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)oc1C ZINC000593725632 1036945375 /nfs/dbraw/zinc/94/53/75/1036945375.db2.gz ODHWCVGBWPDRIW-MRXNPFEDSA-N 1 0 337.467 4.083 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1C#N ZINC000599326370 1036955438 /nfs/dbraw/zinc/95/54/38/1036955438.db2.gz KTLPDDCKAXJJJQ-UHFFFAOYSA-N 1 0 330.435 4.123 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1C#N ZINC000599344695 1036960632 /nfs/dbraw/zinc/96/06/32/1036960632.db2.gz ILKSSZKPILKECD-OAQYLSRUSA-N 1 0 336.435 4.125 20 30 EIEDRO CCC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000599348515 1036964925 /nfs/dbraw/zinc/96/49/25/1036964925.db2.gz FLFJXIMUFMTONN-XJKSGUPXSA-N 1 0 341.282 4.479 20 30 EIEDRO Cc1c2ccccc2oc1[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(C)C ZINC000599364803 1036981074 /nfs/dbraw/zinc/98/10/74/1036981074.db2.gz ZCBASAGEZUAMGH-MAUKXSAKSA-N 1 0 326.440 4.083 20 30 EIEDRO C[C@H](CCO)C1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC1 ZINC000271834866 1037028971 /nfs/dbraw/zinc/02/89/71/1037028971.db2.gz FSCFONTXKPTKBC-KMFTYDHNSA-N 1 0 340.511 4.169 20 30 EIEDRO N#Cc1cc2c(nc1NCc1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC000603844762 1037036723 /nfs/dbraw/zinc/03/67/23/1037036723.db2.gz YYPHHHLMSWDVKT-UHFFFAOYSA-N 1 0 346.478 4.040 20 30 EIEDRO C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(OCC#N)cc1 ZINC000271890232 1037044722 /nfs/dbraw/zinc/04/47/22/1037044722.db2.gz RSKDDIPJXBDZKT-CQSZACIVSA-N 1 0 337.398 4.103 20 30 EIEDRO Cc1cc(C)c(C#N)c(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000603856172 1037049857 /nfs/dbraw/zinc/04/98/57/1037049857.db2.gz WLQMYZJZUBCWPA-INIZCTEOSA-N 1 0 348.494 4.414 20 30 EIEDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)c1ccc(OCC#N)cc1 ZINC000271914950 1037051612 /nfs/dbraw/zinc/05/16/12/1037051612.db2.gz YSUQQPBGFWSVPT-CQSZACIVSA-N 1 0 337.398 4.103 20 30 EIEDRO CC(C)CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000603900923 1037081731 /nfs/dbraw/zinc/08/17/31/1037081731.db2.gz GYKUBTBEPZMECE-AWEZNQCLSA-N 1 0 347.528 4.051 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@H](c2cccc(C)c2)C(C)C)c1C#N ZINC000599628666 1037099803 /nfs/dbraw/zinc/09/98/03/1037099803.db2.gz CXSXWIZKSVEWMT-FQEVSTJZSA-N 1 0 336.435 4.140 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1cc(C)ccc1C ZINC000599640151 1037105949 /nfs/dbraw/zinc/10/59/49/1037105949.db2.gz DVSHZGQUWVYLKV-SFHVURJKSA-N 1 0 339.439 4.064 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cc(C)ccc1C ZINC000599640669 1037107418 /nfs/dbraw/zinc/10/74/18/1037107418.db2.gz MHFFKCAZADXOSQ-QGZVFWFLSA-N 1 0 341.480 4.306 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000599665303 1037112219 /nfs/dbraw/zinc/11/22/19/1037112219.db2.gz JIEYNNPJRIOCEG-HNNXBMFYSA-N 1 0 329.271 4.336 20 30 EIEDRO CC(C)CC[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000590644686 1037131382 /nfs/dbraw/zinc/13/13/82/1037131382.db2.gz RVVBXWFSMMLNSG-PXNSSMCTSA-N 1 0 340.515 4.117 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC000599681443 1037131823 /nfs/dbraw/zinc/13/18/23/1037131823.db2.gz NTGUCMMDMCCSBR-GOSISDBHSA-N 1 0 349.261 4.273 20 30 EIEDRO COC(=O)c1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1Cl ZINC000590713000 1037148416 /nfs/dbraw/zinc/14/84/16/1037148416.db2.gz TXQBIVPVNRWFPU-SFHVURJKSA-N 1 0 342.826 4.261 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000590964573 1037216026 /nfs/dbraw/zinc/21/60/26/1037216026.db2.gz PAVWHQPBHUZMTM-NRFANRHFSA-N 1 0 334.463 4.250 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c1 ZINC000183824689 1037350856 /nfs/dbraw/zinc/35/08/56/1037350856.db2.gz IADIUYWFSFIJDF-UHFFFAOYSA-N 1 0 346.253 4.153 20 30 EIEDRO N#CCOc1ccc(C[NH2+]C2CC(c3ccc(Cl)cc3)C2)cc1 ZINC000273203819 1037379553 /nfs/dbraw/zinc/37/95/53/1037379553.db2.gz RVIKBSHXXUNWTC-UHFFFAOYSA-N 1 0 326.827 4.278 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000488131274 1037380136 /nfs/dbraw/zinc/38/01/36/1037380136.db2.gz XGUZWBNVHOAGEK-INIZCTEOSA-N 1 0 340.492 4.456 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000591348927 1037390341 /nfs/dbraw/zinc/39/03/41/1037390341.db2.gz DUHIZIRUOKUAGV-VQTJNVASSA-N 1 0 348.446 4.230 20 30 EIEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2cc(N)ccc2O1 ZINC000591579373 1037506201 /nfs/dbraw/zinc/50/62/01/1037506201.db2.gz SWYVTUKQRQQEQI-UXHICEINSA-N 1 0 347.462 4.410 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c2c(n1)CCCC2 ZINC000894269956 1037521727 /nfs/dbraw/zinc/52/17/27/1037521727.db2.gz AHVNARYTHCCQKO-UHFFFAOYSA-N 1 0 325.843 4.084 20 30 EIEDRO C=C[C@@H]1CCCCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000488392188 1037561270 /nfs/dbraw/zinc/56/12/70/1037561270.db2.gz ZMPXLJLJIBIVHW-HXUWFJFHSA-N 1 0 341.499 4.287 20 30 EIEDRO C=CC[N@@H+](C[C@@H](C)c1ccccc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000604885271 1037575550 /nfs/dbraw/zinc/57/55/50/1037575550.db2.gz WPLGVEQXPHKNOC-QZTJIDSGSA-N 1 0 347.466 4.015 20 30 EIEDRO C=CCOc1cccc(C[NH2+]Cc2cccc(OC(C)(C)C)n2)c1 ZINC000503262979 1037660971 /nfs/dbraw/zinc/66/09/71/1037660971.db2.gz AIZUXLRKEOWSRS-UHFFFAOYSA-N 1 0 326.440 4.114 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CSc3ccccc32)cc1OC ZINC000605166068 1037686970 /nfs/dbraw/zinc/68/69/70/1037686970.db2.gz PWZQIMSULWWRDF-INIZCTEOSA-N 1 0 327.449 4.197 20 30 EIEDRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000503335151 1037696280 /nfs/dbraw/zinc/69/62/80/1037696280.db2.gz HYKZWQVLIPLOCB-OAQYLSRUSA-N 1 0 349.478 4.008 20 30 EIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000488751418 1037737445 /nfs/dbraw/zinc/73/74/45/1037737445.db2.gz WEHDQSHSBHARMO-FQEVSTJZSA-N 1 0 336.435 4.085 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000503415634 1037749360 /nfs/dbraw/zinc/74/93/60/1037749360.db2.gz LQWNPBQADAKHFG-KRWDZBQOSA-N 1 0 331.463 4.146 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)c2ccccc21)C(C)C ZINC000503436252 1037757479 /nfs/dbraw/zinc/75/74/79/1037757479.db2.gz JUVKFBLYBFGUSM-FXAWDEMLSA-N 1 0 341.499 4.018 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(C)ccc1C)C(C)C ZINC000503437564 1037759790 /nfs/dbraw/zinc/75/97/90/1037759790.db2.gz MSUJBRHIWKAIAG-IBGZPJMESA-N 1 0 329.488 4.124 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000592391599 1037795128 /nfs/dbraw/zinc/79/51/28/1037795128.db2.gz GJGJCOYWLLTLIF-GOSISDBHSA-N 1 0 326.827 4.410 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000592391426 1037795486 /nfs/dbraw/zinc/79/54/86/1037795486.db2.gz JNXGRRXEHHPNBA-OAQYLSRUSA-N 1 0 342.446 4.106 20 30 EIEDRO CC#CCCCC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000573989627 1037802777 /nfs/dbraw/zinc/80/27/77/1037802777.db2.gz XRUJNRHSHUFFBA-SFHVURJKSA-N 1 0 334.891 4.033 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000172115564 1037856490 /nfs/dbraw/zinc/85/64/90/1037856490.db2.gz OBTXUKLTPRIABU-LJQANCHMSA-N 1 0 341.838 4.356 20 30 EIEDRO N#CCSCCC[NH2+]C1(c2ccccc2Br)CCC1 ZINC000593040139 1037903880 /nfs/dbraw/zinc/90/38/80/1037903880.db2.gz OOYRKHKQDWOIMB-UHFFFAOYSA-N 1 0 339.302 4.065 20 30 EIEDRO Cc1cc(C#N)ccc1Oc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000592357222 1037904198 /nfs/dbraw/zinc/90/41/98/1037904198.db2.gz VPMMPKZRLOTNST-QGZVFWFLSA-N 1 0 346.390 4.134 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(C#N)cc3F)C2)cc1F ZINC000503853355 1037940197 /nfs/dbraw/zinc/94/01/97/1037940197.db2.gz CNBUZVVVYLQBEG-DAXOMENPSA-N 1 0 342.389 4.442 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](CCO)c1ccccc1F ZINC000592403290 1038002535 /nfs/dbraw/zinc/00/25/35/1038002535.db2.gz OCEZBVBNJSXMGN-LEWJYISDSA-N 1 0 338.426 4.178 20 30 EIEDRO C=C[C@@H]1CCCC[N@H+]1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000489445206 1038062342 /nfs/dbraw/zinc/06/23/42/1038062342.db2.gz FUZLJXLGBODABD-MRXNPFEDSA-N 1 0 329.419 4.157 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058796576 1038086847 /nfs/dbraw/zinc/08/68/47/1038086847.db2.gz UTQKPJXYKWCVFL-QFIPXVFZSA-N 1 0 348.490 4.113 20 30 EIEDRO C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000058828921 1038105795 /nfs/dbraw/zinc/10/57/95/1038105795.db2.gz MBMQAMBRUIBFBY-UHFFFAOYSA-N 1 0 334.341 4.088 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593703262 1038130035 /nfs/dbraw/zinc/13/00/35/1038130035.db2.gz SDSHEMJNIHIEKA-FQEVSTJZSA-N 1 0 325.500 4.247 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccccc21 ZINC000593692667 1038153664 /nfs/dbraw/zinc/15/36/64/1038153664.db2.gz YRANEJQHZKDSIW-SFUIVIKGSA-N 1 0 340.467 4.229 20 30 EIEDRO CCc1csc(CC2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000594019327 1038212496 /nfs/dbraw/zinc/21/24/96/1038212496.db2.gz KKRSWWRXJRPJQW-UHFFFAOYSA-N 1 0 325.481 4.032 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000489913465 1038281815 /nfs/dbraw/zinc/28/18/15/1038281815.db2.gz YNKRGXHTQXFAIP-GCKMJXCFSA-N 1 0 337.442 4.011 20 30 EIEDRO C=C(C)CN(CC)C(=O)C[N@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000607747182 1038288051 /nfs/dbraw/zinc/28/80/51/1038288051.db2.gz SNLOHSDMJRAJDI-UHFFFAOYSA-N 1 0 340.511 4.130 20 30 EIEDRO COC(=O)c1cccc(CN[C@@H](C)c2ccc(C3CC3)cc2)c1C#N ZINC000574505049 1038294103 /nfs/dbraw/zinc/29/41/03/1038294103.db2.gz TXRIODNQMJPNKL-AWEZNQCLSA-N 1 0 334.419 4.073 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1CN=Cc1cc2ccccc2[nH]c1=O ZINC000912781089 1038302524 /nfs/dbraw/zinc/30/25/24/1038302524.db2.gz RZXLHEKFKUEZNE-HZHRSRAPSA-N 1 0 347.462 4.401 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000574647773 1038306846 /nfs/dbraw/zinc/30/68/46/1038306846.db2.gz XNOIPOFBVABJTL-HXUWFJFHSA-N 1 0 348.446 4.277 20 30 EIEDRO CC(C)(C)C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594434008 1038332567 /nfs/dbraw/zinc/33/25/67/1038332567.db2.gz WHVKGCPBMBGCTK-SJORKVTESA-N 1 0 349.906 4.345 20 30 EIEDRO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594434227 1038332759 /nfs/dbraw/zinc/33/27/59/1038332759.db2.gz XWBZMKDIJDPWKV-UWJYYQICSA-N 1 0 349.478 4.284 20 30 EIEDRO N#CCCCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000594434659 1038333599 /nfs/dbraw/zinc/33/35/99/1038333599.db2.gz QUYVFZHFHWAHJU-GOSISDBHSA-N 1 0 347.890 4.022 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(CCCc2ccccc2)c1 ZINC000594435979 1038334507 /nfs/dbraw/zinc/33/45/07/1038334507.db2.gz GGXOYTFNKCGPGL-NRFANRHFSA-N 1 0 349.478 4.212 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCCn2cnc3ccccc32)cc1 ZINC000594494252 1038343050 /nfs/dbraw/zinc/34/30/50/1038343050.db2.gz XONXCGBETGYOJI-UHFFFAOYSA-N 1 0 332.451 4.017 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2COc3c2cccc3Cl)cc1 ZINC000594497898 1038346220 /nfs/dbraw/zinc/34/62/20/1038346220.db2.gz KVTSLDGKXZCYKJ-KRWDZBQOSA-N 1 0 326.827 4.364 20 30 EIEDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000594501407 1038349496 /nfs/dbraw/zinc/34/94/96/1038349496.db2.gz VCQPEEOVADOKMP-UHFFFAOYSA-N 1 0 337.467 4.350 20 30 EIEDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000594505773 1038350306 /nfs/dbraw/zinc/35/03/06/1038350306.db2.gz YVKJXVIMYQCVKQ-UHFFFAOYSA-N 1 0 342.446 4.140 20 30 EIEDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2ccccc21 ZINC000594504245 1038351698 /nfs/dbraw/zinc/35/16/98/1038351698.db2.gz HRQPQXJIAJNXAD-FQEVSTJZSA-N 1 0 347.462 4.075 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000594516537 1038357396 /nfs/dbraw/zinc/35/73/96/1038357396.db2.gz RZOSXECNJGOQNE-VBNZEHGJSA-N 1 0 348.512 4.102 20 30 EIEDRO COc1ccc(OC)c([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594515685 1038358216 /nfs/dbraw/zinc/35/82/16/1038358216.db2.gz PJTWZRWSWXUWNJ-HNNXBMFYSA-N 1 0 336.435 4.305 20 30 EIEDRO CC[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCO2 ZINC000594515286 1038359013 /nfs/dbraw/zinc/35/90/13/1038359013.db2.gz MJWZDPRYMAOFBQ-LJQANCHMSA-N 1 0 348.446 4.450 20 30 EIEDRO Cn1cc(-c2ccc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)s2)cn1 ZINC000594518567 1038359916 /nfs/dbraw/zinc/35/99/16/1038359916.db2.gz IDIYJXYUOMVDBY-UHFFFAOYSA-N 1 0 348.475 4.189 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cnc(-c4ccccn4)s3)CCC2)cc1 ZINC000594520391 1038360127 /nfs/dbraw/zinc/36/01/27/1038360127.db2.gz OFQNWWOFYVQLHV-UHFFFAOYSA-N 1 0 346.459 4.246 20 30 EIEDRO C=CCc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc(OC)c1O ZINC000594521837 1038360161 /nfs/dbraw/zinc/36/01/61/1038360161.db2.gz UUZHHCCFHMOQEL-UHFFFAOYSA-N 1 0 348.446 4.170 20 30 EIEDRO COc1cc2c(cc1OC)[C@H]([NH2+]C1(c3ccc(C#N)cc3)CCC1)CC2 ZINC000594520091 1038360701 /nfs/dbraw/zinc/36/07/01/1038360701.db2.gz YRZXBPGNYMILFA-LJQANCHMSA-N 1 0 348.446 4.232 20 30 EIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594522431 1038363880 /nfs/dbraw/zinc/36/38/80/1038363880.db2.gz LMRPYEXTKLZTEY-LJQANCHMSA-N 1 0 338.426 4.413 20 30 EIEDRO CCCCOc1ncccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594917219 1038425692 /nfs/dbraw/zinc/42/56/92/1038425692.db2.gz IBYRHQQKOWZTSL-UHFFFAOYSA-N 1 0 335.451 4.105 20 30 EIEDRO C[C@@H](OCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594926807 1038428725 /nfs/dbraw/zinc/42/87/25/1038428725.db2.gz ZITKUHHROYFKRM-GOSISDBHSA-N 1 0 334.463 4.499 20 30 EIEDRO Cc1csc(CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594926180 1038429182 /nfs/dbraw/zinc/42/91/82/1038429182.db2.gz NEIPZMUFPRWCDL-UHFFFAOYSA-N 1 0 325.481 4.119 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCCc3c[nH]c4ccccc34)cc2)CC1 ZINC000594927834 1038429831 /nfs/dbraw/zinc/42/98/31/1038429831.db2.gz WSWBMKXMLNERMT-UHFFFAOYSA-N 1 0 329.447 4.445 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2ccccc2n1 ZINC000594928180 1038431465 /nfs/dbraw/zinc/43/14/65/1038431465.db2.gz FUMWDEZSAKITRP-UHFFFAOYSA-N 1 0 343.430 4.088 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3ccnc4ccccc34)cc2)CC1 ZINC000594969074 1038484436 /nfs/dbraw/zinc/48/44/36/1038484436.db2.gz VYEHAYJQQISQSW-UHFFFAOYSA-N 1 0 327.431 4.122 20 30 EIEDRO Cc1cccc(C)c1Oc1ccccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424102465 1038494780 /nfs/dbraw/zinc/49/47/80/1038494780.db2.gz ONUIWUAFXREXOG-MRXNPFEDSA-N 1 0 337.423 4.055 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)cc2)CC1 ZINC000594934421 1038494747 /nfs/dbraw/zinc/49/47/47/1038494747.db2.gz GOFLNHNMAVZKKW-TZIWHRDSSA-N 1 0 332.447 4.109 20 30 EIEDRO Cc1cc(C)cc(Oc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)c1 ZINC000424100865 1038495235 /nfs/dbraw/zinc/49/52/35/1038495235.db2.gz LTYGLPMYAVNXLX-IBGZPJMESA-N 1 0 337.423 4.055 20 30 EIEDRO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594943740 1038510222 /nfs/dbraw/zinc/51/02/22/1038510222.db2.gz PFUZNJMBXSMHHA-UHFFFAOYSA-N 1 0 335.451 4.104 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000594944733 1038519331 /nfs/dbraw/zinc/51/93/31/1038519331.db2.gz VPOAVBVZBRMARB-LJQANCHMSA-N 1 0 336.410 4.384 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)cc2)CC1 ZINC000594945723 1038524821 /nfs/dbraw/zinc/52/48/21/1038524821.db2.gz WHHJSUSSNMKRCS-UHFFFAOYSA-N 1 0 346.352 4.272 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000594957381 1038529265 /nfs/dbraw/zinc/52/92/65/1038529265.db2.gz ZSCDAIRECKSASO-MDCZIUGASA-N 1 0 331.891 4.228 20 30 EIEDRO C=CCCSCC[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000594960256 1038529334 /nfs/dbraw/zinc/52/93/34/1038529334.db2.gz NVQWIACLZLYOKY-UHFFFAOYSA-N 1 0 334.510 4.218 20 30 EIEDRO COC[C@H](C)Oc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000594961358 1038536361 /nfs/dbraw/zinc/53/63/61/1038536361.db2.gz XTNHWBSQDNMGJP-UWJYYQICSA-N 1 0 338.451 4.235 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc4occc4c3)CC2)cc1 ZINC000594965611 1038548578 /nfs/dbraw/zinc/54/85/78/1038548578.db2.gz BAZVLWQQKJGBOZ-UHFFFAOYSA-N 1 0 345.446 4.059 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000424292805 1038772550 /nfs/dbraw/zinc/77/25/50/1038772550.db2.gz HLWMXYRSKQMONY-DKKFBQAASA-N 1 0 333.447 4.041 20 30 EIEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CC[C@H](C#N)C3)s2)cc1 ZINC000424325010 1038806152 /nfs/dbraw/zinc/80/61/52/1038806152.db2.gz KQGOBANRDIXGQW-IVMMDQJWSA-N 1 0 341.480 4.470 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCSc3ccc(Br)cc32)C1 ZINC000424336681 1038810485 /nfs/dbraw/zinc/81/04/85/1038810485.db2.gz YHFCCVIISPFMFB-SUHUHFCYSA-N 1 0 337.286 4.268 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cnn1-c1cccc(Cl)c1 ZINC000424335938 1038810787 /nfs/dbraw/zinc/81/07/87/1038810787.db2.gz XDPWPJPRMGJRBW-DUVNUKRYSA-N 1 0 328.847 4.177 20 30 EIEDRO C=CCC1(NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCCC1 ZINC000667196331 1038811186 /nfs/dbraw/zinc/81/11/86/1038811186.db2.gz UVGWLUZZVMQJLU-GOSISDBHSA-N 1 0 327.472 4.246 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000554987989 1038812806 /nfs/dbraw/zinc/81/28/06/1038812806.db2.gz HTNFZHFSPMATIV-AUUYWEPGSA-N 1 0 336.435 4.222 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1OC ZINC000554987993 1038813174 /nfs/dbraw/zinc/81/31/74/1038813174.db2.gz HTNFZHFSPMATIV-LIRRHRJNSA-N 1 0 336.435 4.222 20 30 EIEDRO CC(C)[N@H+](CCCOc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000063750965 1038815221 /nfs/dbraw/zinc/81/52/21/1038815221.db2.gz LNPXDJGGVYODHC-UHFFFAOYSA-N 1 0 326.415 4.377 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1OC(F)F ZINC000554998153 1038823114 /nfs/dbraw/zinc/82/31/14/1038823114.db2.gz VIRUERNZXDYAQS-PXAZEXFGSA-N 1 0 328.362 4.498 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1cncs1 ZINC000539078926 1038825094 /nfs/dbraw/zinc/82/50/94/1038825094.db2.gz CXUWUDPOFIWTQB-IUDNXUCKSA-N 1 0 327.453 4.056 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000505000918 1038877613 /nfs/dbraw/zinc/87/76/13/1038877613.db2.gz LYKHPFWPRGEQHK-QGZVFWFLSA-N 1 0 329.488 4.191 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000505011362 1038885989 /nfs/dbraw/zinc/88/59/89/1038885989.db2.gz UNARDPWJESLRMQ-UHFFFAOYSA-N 1 0 329.488 4.049 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000505040587 1038893530 /nfs/dbraw/zinc/89/35/30/1038893530.db2.gz VVRWMNYNJSTBKX-QGZVFWFLSA-N 1 0 343.496 4.291 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)cc1C#N ZINC000174327231 1038904207 /nfs/dbraw/zinc/90/42/07/1038904207.db2.gz GFUXUYHSGZBRFP-UHFFFAOYSA-N 1 0 345.402 4.044 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000462114282 1038931561 /nfs/dbraw/zinc/93/15/61/1038931561.db2.gz VWHGUFVAYYXXAS-CQSZACIVSA-N 1 0 338.879 4.320 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1cccc(-n2cccn2)c1 ZINC000539287416 1038934036 /nfs/dbraw/zinc/93/40/36/1038934036.db2.gz XFFVFDACKMMANI-MRXNPFEDSA-N 1 0 335.838 4.228 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000505061051 1038935618 /nfs/dbraw/zinc/93/56/18/1038935618.db2.gz IXBYNPZLNVKENB-FQEVSTJZSA-N 1 0 337.467 4.230 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c(Br)c1 ZINC000481058518 1038999170 /nfs/dbraw/zinc/99/91/70/1038999170.db2.gz OLNIEOGJBBIHMS-KRWDZBQOSA-N 1 0 341.252 4.138 20 30 EIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000539379819 1039038571 /nfs/dbraw/zinc/03/85/71/1039038571.db2.gz GZOFGTYVSGYZIV-LJQANCHMSA-N 1 0 338.451 4.452 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000539388997 1039044791 /nfs/dbraw/zinc/04/47/91/1039044791.db2.gz VZFHFAJYJDFDOR-CMKODMSKSA-N 1 0 343.515 4.084 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000424751988 1039053461 /nfs/dbraw/zinc/05/34/61/1039053461.db2.gz WKMWIXBAIOLJBD-UHFFFAOYSA-N 1 0 340.511 4.103 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC)c2)C1)c1ccco1 ZINC000552044574 1039065215 /nfs/dbraw/zinc/06/52/15/1039065215.db2.gz GTWNALNMLBBQQL-VQIMIIECSA-N 1 0 326.440 4.164 20 30 EIEDRO C=C(C)C[N@@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000481278827 1039216471 /nfs/dbraw/zinc/21/64/71/1039216471.db2.gz CUVLFLRAYDRKAD-HXUWFJFHSA-N 1 0 342.870 4.054 20 30 EIEDRO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC1CC1 ZINC000600167784 1039338555 /nfs/dbraw/zinc/33/85/55/1039338555.db2.gz XWIHKHLYNUVBJA-HNNXBMFYSA-N 1 0 336.435 4.301 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000552323576 1039381273 /nfs/dbraw/zinc/38/12/73/1039381273.db2.gz LYNSOAXIKWAQSF-INIZCTEOSA-N 1 0 341.451 4.428 20 30 EIEDRO CC(C)(CCC#N)C[NH+]1CC(Cc2ccccc2Br)C1 ZINC000600216088 1039389389 /nfs/dbraw/zinc/38/93/89/1039389389.db2.gz SMIKGXXFBDCYPD-UHFFFAOYSA-N 1 0 335.289 4.253 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000509448742 1039408207 /nfs/dbraw/zinc/40/82/07/1039408207.db2.gz ASMSYRYWYRCPBN-QFIPXVFZSA-N 1 0 347.506 4.257 20 30 EIEDRO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000481438876 1039415221 /nfs/dbraw/zinc/41/52/21/1039415221.db2.gz XREFPOIPMBDDNS-LJQANCHMSA-N 1 0 335.451 4.251 20 30 EIEDRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000555611557 1039443818 /nfs/dbraw/zinc/44/38/18/1039443818.db2.gz JFJAVTNTGFDZII-UHFFFAOYSA-N 1 0 330.378 4.493 20 30 EIEDRO C=CCCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000534513477 1039532729 /nfs/dbraw/zinc/53/27/29/1039532729.db2.gz PTQAPVKUZOGEDD-UHFFFAOYSA-N 1 0 332.425 4.006 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]CC3(c4ccccc4)CCC3)CC2)cc1 ZINC000514089351 1039592772 /nfs/dbraw/zinc/59/27/72/1039592772.db2.gz OXYYVLKFFFFFNX-UHFFFAOYSA-N 1 0 345.490 4.239 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000514092865 1039596605 /nfs/dbraw/zinc/59/66/05/1039596605.db2.gz GMHKADLJGDUNIX-SFHLNBCPSA-N 1 0 337.511 4.476 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)ccc1OC ZINC000478283219 1039633660 /nfs/dbraw/zinc/63/36/60/1039633660.db2.gz VYNKECMARBPZDI-GOSISDBHSA-N 1 0 333.472 4.086 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](OCCC)CC2)cc1OC ZINC000093317267 1039660065 /nfs/dbraw/zinc/66/00/65/1039660065.db2.gz JQYYSLYNKMAVGD-SFHVURJKSA-N 1 0 333.472 4.041 20 30 EIEDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000534729809 1039742625 /nfs/dbraw/zinc/74/26/25/1039742625.db2.gz VCSUKOKEZPVAJZ-TZIWHRDSSA-N 1 0 341.499 4.001 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000060818771 1039756128 /nfs/dbraw/zinc/75/61/28/1039756128.db2.gz WYSPDUCWDZNECZ-FQEVSTJZSA-N 1 0 340.467 4.161 20 30 EIEDRO N#CC1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000061040315 1039784592 /nfs/dbraw/zinc/78/45/92/1039784592.db2.gz IGCWCBPSDXGPSM-UHFFFAOYSA-N 1 0 326.362 4.100 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1Cl ZINC000537650186 1039829866 /nfs/dbraw/zinc/82/98/66/1039829866.db2.gz KWGGSWNRUYPUHH-QGZVFWFLSA-N 1 0 335.875 4.153 20 30 EIEDRO Cc1cc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc(C#N)n1 ZINC000552937778 1039877366 /nfs/dbraw/zinc/87/73/66/1039877366.db2.gz OQGGUOUXJVMQCE-KRWDZBQOSA-N 1 0 334.467 4.248 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000442689439 1039879238 /nfs/dbraw/zinc/87/92/38/1039879238.db2.gz OSLOAZINJFWYKB-DNVCBOLYSA-N 1 0 336.410 4.353 20 30 EIEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc(Cl)ccc2C#N)CC1 ZINC000425233729 1039902207 /nfs/dbraw/zinc/90/22/07/1039902207.db2.gz GYANYMLAWVNULY-CQSZACIVSA-N 1 0 340.858 4.244 20 30 EIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000535045507 1039905819 /nfs/dbraw/zinc/90/58/19/1039905819.db2.gz XBQRZQUWEBQFTK-UHFFFAOYSA-N 1 0 342.483 4.128 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000482001746 1039944809 /nfs/dbraw/zinc/94/48/09/1039944809.db2.gz VAQZMJQIMMWRHC-BURNTYAHSA-N 1 0 336.479 4.263 20 30 EIEDRO C=CCC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1 ZINC000435105380 1040070268 /nfs/dbraw/zinc/07/02/68/1040070268.db2.gz KMAYEHGUWGIYRP-ICSRJNTNSA-N 1 0 341.499 4.010 20 30 EIEDRO C=CCC[C@H](NC(=O)NCC1CC[NH+](CCC)CC1)c1ccccc1 ZINC000435106471 1040070336 /nfs/dbraw/zinc/07/03/36/1040070336.db2.gz BPYZFFBCBWNQEK-FQEVSTJZSA-N 1 0 343.515 4.115 20 30 EIEDRO C=CCOC(=O)[C@@H](Nc1ccc2c(c1)[nH]c1cc[nH+]cc12)[C@@H](C)CC ZINC001167957652 1040074912 /nfs/dbraw/zinc/07/49/12/1040074912.db2.gz LMTIGGMPRGFWRH-DJJJIMSYSA-N 1 0 337.423 4.272 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]C[C@H](c1ccccc1Cl)N1CCCC1 ZINC000514785581 1040229581 /nfs/dbraw/zinc/22/95/81/1040229581.db2.gz QMMFNPWHPSEENS-GOSISDBHSA-N 1 0 333.907 4.396 20 30 EIEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)Cc1ccc(C#N)o1 ZINC000482493321 1040296572 /nfs/dbraw/zinc/29/65/72/1040296572.db2.gz FUENZDZSFUTFIO-AWEZNQCLSA-N 1 0 347.256 4.367 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc(F)c(F)c1 ZINC000479414041 1040337420 /nfs/dbraw/zinc/33/74/20/1040337420.db2.gz FCIFSRPBQZNWDL-IBGZPJMESA-N 1 0 327.378 4.259 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)ncn2C ZINC000539408398 1040421670 /nfs/dbraw/zinc/42/16/70/1040421670.db2.gz IJXYOUZNKWUDQS-UHFFFAOYSA-N 1 0 332.451 4.103 20 30 EIEDRO C=CCCCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000479521435 1040439064 /nfs/dbraw/zinc/43/90/64/1040439064.db2.gz DWFHYCLJOIAMIC-UHFFFAOYSA-N 1 0 336.479 4.388 20 30 EIEDRO CCOc1ccc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000505705628 1040447010 /nfs/dbraw/zinc/44/70/10/1040447010.db2.gz KCFHCUYQAXDGPF-UHFFFAOYSA-N 1 0 338.451 4.400 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000508851403 1040451013 /nfs/dbraw/zinc/45/10/13/1040451013.db2.gz GZVXFDKGZOEZDJ-PKOBYXMFSA-N 1 0 331.504 4.066 20 30 EIEDRO CC#CCC[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000462315749 1040474077 /nfs/dbraw/zinc/47/40/77/1040474077.db2.gz KZDVKKHDDOMVIT-UHFFFAOYSA-N 1 0 327.255 4.057 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(F)cc1F ZINC000174653592 1040495262 /nfs/dbraw/zinc/49/52/62/1040495262.db2.gz AFSIKLPIDCZMAJ-KBPBESRZSA-N 1 0 330.378 4.149 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2F)cc1 ZINC000174653614 1040496372 /nfs/dbraw/zinc/49/63/72/1040496372.db2.gz AFSIKLPIDCZMAJ-UONOGXRCSA-N 1 0 330.378 4.149 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccc(OCc2ccccn2)cc1 ZINC000491262228 1040504908 /nfs/dbraw/zinc/50/49/08/1040504908.db2.gz XTSWLZLGPRNMDV-UHFFFAOYSA-N 1 0 348.446 4.484 20 30 EIEDRO CC[C@@H](Cc1ccccc1Br)[NH2+]Cc1ccc(C#N)s1 ZINC000539522115 1040506003 /nfs/dbraw/zinc/50/60/03/1040506003.db2.gz YFFGOTFIJAXSQN-ZDUSSCGKSA-N 1 0 349.297 4.493 20 30 EIEDRO C[C@H](CNc1c(Cl)cccc1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000462371276 1040520061 /nfs/dbraw/zinc/52/00/61/1040520061.db2.gz UAHXSEQYFLSLEM-CQSZACIVSA-N 1 0 325.843 4.070 20 30 EIEDRO C=CCC(F)(F)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](CC)CCCC ZINC001270001480 1040535085 /nfs/dbraw/zinc/53/50/85/1040535085.db2.gz YOPJXMAYLBZCJP-ZACQAIPSSA-N 1 0 342.474 4.089 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000435730627 1040565549 /nfs/dbraw/zinc/56/55/49/1040565549.db2.gz GIVHMCVERBHWRG-XHDPSFHLSA-N 1 0 330.255 4.073 20 30 EIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@H]12 ZINC000539569786 1040566189 /nfs/dbraw/zinc/56/61/89/1040566189.db2.gz KGDPAEQDRCVIIM-QTMHVTGLSA-N 1 0 347.547 4.110 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000435750913 1040585360 /nfs/dbraw/zinc/58/53/60/1040585360.db2.gz OTIBSVNJSGKTLT-BDJLRTHQSA-N 1 0 330.255 4.073 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000435740025 1040592445 /nfs/dbraw/zinc/59/24/45/1040592445.db2.gz IHRZEUPCEDVETQ-KNQAVFIVSA-N 1 0 337.463 4.433 20 30 EIEDRO CC(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551803006 1040595678 /nfs/dbraw/zinc/59/56/78/1040595678.db2.gz CTEPJYAWSKJIBK-DENIHFKCSA-N 1 0 344.462 4.255 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000435746035 1040599285 /nfs/dbraw/zinc/59/92/85/1040599285.db2.gz SPNUWHKJUZKLFJ-YOEHRIQHSA-N 1 0 332.444 4.020 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000539609458 1040607383 /nfs/dbraw/zinc/60/73/83/1040607383.db2.gz HKHKKPXNGGWWBL-NQCMUKECSA-N 1 0 330.378 4.263 20 30 EIEDRO CC1(C)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000477565197 1040618133 /nfs/dbraw/zinc/61/81/33/1040618133.db2.gz QNZWIPKKYALWAM-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1Cl ZINC000537725743 1040776393 /nfs/dbraw/zinc/77/63/93/1040776393.db2.gz YVHHLLTZVFLSLN-QAPCUYQASA-N 1 0 345.874 4.184 20 30 EIEDRO C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC(C)(C)CCC#N ZINC000554078596 1040784828 /nfs/dbraw/zinc/78/48/28/1040784828.db2.gz XSLORYOVATUOIC-GFCCVEGCSA-N 1 0 341.268 4.439 20 30 EIEDRO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2OC)cc1 ZINC000483281335 1040805216 /nfs/dbraw/zinc/80/52/16/1040805216.db2.gz CBMDOXFVOZOULZ-UHFFFAOYSA-N 1 0 338.451 4.381 20 30 EIEDRO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000554116036 1040809565 /nfs/dbraw/zinc/80/95/65/1040809565.db2.gz KBMCAPMINCTTNP-HOTGVXAUSA-N 1 0 326.415 4.343 20 30 EIEDRO CC1(C[NH2+]Cc2cccc(OCCCC#N)c2)Cc2ccccc2C1 ZINC000539852944 1040850433 /nfs/dbraw/zinc/85/04/33/1040850433.db2.gz CNEKGJGQKZXMEO-UHFFFAOYSA-N 1 0 334.463 4.264 20 30 EIEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000479995419 1040854284 /nfs/dbraw/zinc/85/42/84/1040854284.db2.gz LBFURHDMOPGJCU-QUCCMNQESA-N 1 0 336.483 4.263 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2noc3ccccc23)CC1 ZINC000568237498 1040863441 /nfs/dbraw/zinc/86/34/41/1040863441.db2.gz AZMUHFXUDLYDFI-UHFFFAOYSA-N 1 0 331.419 4.322 20 30 EIEDRO C=C(C)C[N@H+](CCc1ccc(F)cc1Cl)Cc1ccc(CO)o1 ZINC000515564130 1040869391 /nfs/dbraw/zinc/86/93/91/1040869391.db2.gz HVELWDJJVLPKHF-UHFFFAOYSA-N 1 0 337.822 4.185 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2F)cc1OC ZINC000462747007 1040894726 /nfs/dbraw/zinc/89/47/26/1040894726.db2.gz SYJAWENQGOCANH-AWEZNQCLSA-N 1 0 347.405 4.432 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]Cc2ccc(-c3ccccc3)s2)cc1 ZINC000462761147 1040900689 /nfs/dbraw/zinc/90/06/89/1040900689.db2.gz MOSZFXMFONIZHO-UHFFFAOYSA-N 1 0 334.444 4.455 20 30 EIEDRO COC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000537950082 1040917290 /nfs/dbraw/zinc/91/72/90/1040917290.db2.gz IAEWESGUHWFMKH-ATKRNPRHSA-N 1 0 334.463 4.368 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000898515836 1040969298 /nfs/dbraw/zinc/96/92/98/1040969298.db2.gz GLXMCQYUJIOWPC-UXHICEINSA-N 1 0 342.483 4.008 20 30 EIEDRO C=CCC[C@H](CC)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000537968053 1040972278 /nfs/dbraw/zinc/97/22/78/1040972278.db2.gz OKKRQOBCFRJGFR-NSHDSACASA-N 1 0 346.784 4.236 20 30 EIEDRO N#Cc1cccc(Cl)c1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000462818211 1040994456 /nfs/dbraw/zinc/99/44/56/1040994456.db2.gz VMNIWJNZZVTBIC-KRWDZBQOSA-N 1 0 339.870 4.188 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000436280983 1041024833 /nfs/dbraw/zinc/02/48/33/1041024833.db2.gz CSYAYSPACDIGHC-QRTARXTBSA-N 1 0 325.399 4.310 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000436281810 1041027319 /nfs/dbraw/zinc/02/73/19/1041027319.db2.gz FOGKSYFQDCXBIE-XEZPLFJOSA-N 1 0 329.362 4.217 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000436293867 1041059725 /nfs/dbraw/zinc/05/97/25/1041059725.db2.gz NIAAMVGOVDZMJX-GIVPXCGWSA-N 1 0 340.442 4.189 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000483875902 1041066052 /nfs/dbraw/zinc/06/60/52/1041066052.db2.gz HRLHUWMKDJXGRV-UHFFFAOYSA-N 1 0 349.563 4.276 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000538144138 1041077284 /nfs/dbraw/zinc/07/72/84/1041077284.db2.gz PCNAMXYFQPIVCJ-INIZCTEOSA-N 1 0 346.430 4.450 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000436319182 1041088814 /nfs/dbraw/zinc/08/88/14/1041088814.db2.gz ZMFWGTXEDDEXRU-MPZWGZMNSA-N 1 0 325.905 4.464 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000484090231 1041117673 /nfs/dbraw/zinc/11/76/73/1041117673.db2.gz APZZKKRVJKYPQI-XIKOKIGWSA-N 1 0 332.806 4.217 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1 ZINC000540147901 1041173768 /nfs/dbraw/zinc/17/37/68/1041173768.db2.gz ZONVTSZZDMBHER-BBRMVZONSA-N 1 0 342.405 4.169 20 30 EIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000540167476 1041209912 /nfs/dbraw/zinc/20/99/12/1041209912.db2.gz ZMOVNBXJRHPALD-ZJUUUORDSA-N 1 0 346.784 4.092 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000540171856 1041214141 /nfs/dbraw/zinc/21/41/41/1041214141.db2.gz DOCLQVJAFHYCBF-IBGZPJMESA-N 1 0 326.440 4.208 20 30 EIEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000480358279 1041240923 /nfs/dbraw/zinc/24/09/23/1041240923.db2.gz CSCOAPKFXNKQOG-INIZCTEOSA-N 1 0 345.446 4.423 20 30 EIEDRO COc1ccccc1[C@@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000540184430 1041250932 /nfs/dbraw/zinc/25/09/32/1041250932.db2.gz PBKINUTXRBKWPI-CQSZACIVSA-N 1 0 333.353 4.416 20 30 EIEDRO C=CC[N@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000538305256 1041256356 /nfs/dbraw/zinc/25/63/56/1041256356.db2.gz DUIOZQSUCROZMY-UHFFFAOYSA-N 1 0 347.462 4.284 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000538408765 1041326575 /nfs/dbraw/zinc/32/65/75/1041326575.db2.gz PWZNIBBFSWMHGS-BHDDXSALSA-N 1 0 344.458 4.272 20 30 EIEDRO CCC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000480525449 1041356928 /nfs/dbraw/zinc/35/69/28/1041356928.db2.gz IQQXPCPICCLNFP-RCCFBDPRSA-N 1 0 332.875 4.237 20 30 EIEDRO CC(C)(C#N)CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000538466743 1041371172 /nfs/dbraw/zinc/37/11/72/1041371172.db2.gz OSKQULAIBHPZBF-UHFFFAOYSA-N 1 0 336.479 4.400 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CC(C)C)c2ccc(Cl)cc2)CC1 ZINC000668369935 1041387495 /nfs/dbraw/zinc/38/74/95/1041387495.db2.gz IRWXLUQAPVBOPV-IBGZPJMESA-N 1 0 348.918 4.236 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463211394 1041423853 /nfs/dbraw/zinc/42/38/53/1041423853.db2.gz PUBFPFVXHKMXFS-IPMKNSEASA-N 1 0 332.875 4.117 20 30 EIEDRO C=C(C)C[N@@H+](CC)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000505867750 1041431227 /nfs/dbraw/zinc/43/12/27/1041431227.db2.gz IGLWSKJFCIJEFU-UHFFFAOYSA-N 1 0 332.451 4.332 20 30 EIEDRO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000554844459 1041441626 /nfs/dbraw/zinc/44/16/26/1041441626.db2.gz XKHLJTLAFYPIHM-HOTGVXAUSA-N 1 0 335.451 4.361 20 30 EIEDRO CC[C@@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000554844455 1041442352 /nfs/dbraw/zinc/44/23/52/1041442352.db2.gz XKHLJTLAFYPIHM-CVEARBPZSA-N 1 0 335.451 4.361 20 30 EIEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1Br ZINC000463237539 1041444757 /nfs/dbraw/zinc/44/47/57/1041444757.db2.gz WGLOSTDJRRJDPK-ZIAGYGMSSA-N 1 0 335.289 4.399 20 30 EIEDRO CC1CC[NH+](CCc2cccc(N[C@H]3CCC[C@@H](C#N)C3)c2)CC1 ZINC000463248460 1041452839 /nfs/dbraw/zinc/45/28/39/1041452839.db2.gz UHPRKBHUCZWKJC-CTNGQTDRSA-N 1 0 325.500 4.455 20 30 EIEDRO C[C@@H](CN1CCCCCC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000480675928 1041466340 /nfs/dbraw/zinc/46/63/40/1041466340.db2.gz NELOGNZCPYZQBK-KPQWGBOZSA-N 1 0 339.527 4.245 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000463283796 1041474660 /nfs/dbraw/zinc/47/46/60/1041474660.db2.gz QGDNFQZHSBAYFB-SFTDATJTSA-N 1 0 334.463 4.480 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000480752463 1041508952 /nfs/dbraw/zinc/50/89/52/1041508952.db2.gz YATVRIDYTHBPSG-VGSWGCGISA-N 1 0 333.479 4.119 20 30 EIEDRO C=CCOc1cccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000538751265 1041525467 /nfs/dbraw/zinc/52/54/67/1041525467.db2.gz YOGOAHCLVYZCDP-OAQYLSRUSA-N 1 0 337.463 4.290 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000538750905 1041526625 /nfs/dbraw/zinc/52/66/25/1041526625.db2.gz GEIGOULWPKMZMP-NRFANRHFSA-N 1 0 337.463 4.290 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](CC(C)C)c2cccs2)c(C#N)c1C ZINC000544451147 1041543748 /nfs/dbraw/zinc/54/37/48/1041543748.db2.gz ARRURNFMGDUEND-HNNXBMFYSA-N 1 0 345.468 4.145 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000540594236 1041549210 /nfs/dbraw/zinc/54/92/10/1041549210.db2.gz PSUYPEZWBCWIIL-CYBMUJFWSA-N 1 0 334.341 4.307 20 30 EIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540594062 1041549700 /nfs/dbraw/zinc/54/97/00/1041549700.db2.gz DGMXZECBYKSOJY-IFMALSPDSA-N 1 0 339.527 4.471 20 30 EIEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000540593980 1041550300 /nfs/dbraw/zinc/55/03/00/1041550300.db2.gz WXUXMHJPDDWUTE-UZLBHIALSA-N 1 0 337.442 4.325 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455919622 1041570817 /nfs/dbraw/zinc/57/08/17/1041570817.db2.gz LILNJKBEZAJQIE-NRFANRHFSA-N 1 0 349.478 4.456 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+][C@H]3CCC[C@H](C4CC4)C3)CC2)nc1 ZINC000540628622 1041571799 /nfs/dbraw/zinc/57/17/99/1041571799.db2.gz VUSCMCPNDAAQDW-IQNGYNMSSA-N 1 0 339.483 4.202 20 30 EIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000463564573 1041630434 /nfs/dbraw/zinc/63/04/34/1041630434.db2.gz QKUGLPBGNKNXSI-PBHICJAKSA-N 1 0 338.426 4.477 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H]1C ZINC000437088412 1041649876 /nfs/dbraw/zinc/64/98/76/1041649876.db2.gz YBXJRLMVHJQOAL-YFFANZOGSA-N 1 0 327.472 4.058 20 30 EIEDRO COc1cc(C)nc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000540808627 1041683829 /nfs/dbraw/zinc/68/38/29/1041683829.db2.gz OFOJCQAHNDXTQC-UHFFFAOYSA-N 1 0 343.430 4.227 20 30 EIEDRO CN(C)c1cccc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000516692174 1041703765 /nfs/dbraw/zinc/70/37/65/1041703765.db2.gz DFPYJWFIENKWFD-UHFFFAOYSA-N 1 0 347.384 4.275 20 30 EIEDRO COCc1cccc(OCC2(C[NH+]3CCC(C)(C#N)CC3)CCC2)c1 ZINC000506017471 1041734158 /nfs/dbraw/zinc/73/41/58/1041734158.db2.gz LVWHBJNSMTXNSQ-UHFFFAOYSA-N 1 0 342.483 4.008 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000540918670 1041739321 /nfs/dbraw/zinc/73/93/21/1041739321.db2.gz VODACIJTKSONFF-XKGZKEIXSA-N 1 0 334.467 4.017 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1F ZINC000540976468 1041760428 /nfs/dbraw/zinc/76/04/28/1041760428.db2.gz FWVBAPRKTVHLOR-GFCCVEGCSA-N 1 0 334.341 4.192 20 30 EIEDRO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]2CCCC[C@H]12 ZINC000541112089 1041818854 /nfs/dbraw/zinc/81/88/54/1041818854.db2.gz LMYCDFXGHKSGBB-HLIPFELVSA-N 1 0 349.478 4.248 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1 ZINC000463084286 1041839486 /nfs/dbraw/zinc/83/94/86/1041839486.db2.gz JEOYZFWZMFTHMX-UGKGYDQZSA-N 1 0 332.447 4.205 20 30 EIEDRO C=CC[N@@H+](CC[C@H]1CCOC1)Cc1cc(Br)ccc1F ZINC000437709322 1041885630 /nfs/dbraw/zinc/88/56/30/1041885630.db2.gz LFLDPBLNGIXQBZ-ZDUSSCGKSA-N 1 0 342.252 4.003 20 30 EIEDRO C[N@H+](CCOc1ccc(Cl)cc1Cl)Cc1ccc(C#N)cc1 ZINC000506129778 1041908477 /nfs/dbraw/zinc/90/84/77/1041908477.db2.gz CHRRQFPFGBZVRQ-UHFFFAOYSA-N 1 0 335.234 4.376 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000541576666 1042024286 /nfs/dbraw/zinc/02/42/86/1042024286.db2.gz PRWYTNFMXOGJBG-FGZHOGPDSA-N 1 0 334.463 4.365 20 30 EIEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000438057944 1042033265 /nfs/dbraw/zinc/03/32/65/1042033265.db2.gz WBJQMIKUBCZIJV-UTKZUKDTSA-N 1 0 344.499 4.086 20 30 EIEDRO COc1ccccc1[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000438062117 1042034848 /nfs/dbraw/zinc/03/48/48/1042034848.db2.gz MLSIACAWWJWBPU-QGZVFWFLSA-N 1 0 325.839 4.190 20 30 EIEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000438063855 1042035734 /nfs/dbraw/zinc/03/57/34/1042035734.db2.gz DIYBQODJFMTOMX-UWJYYQICSA-N 1 0 344.499 4.228 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000464648757 1042096629 /nfs/dbraw/zinc/09/66/29/1042096629.db2.gz SOYBNZHKFUULAD-MSOLQXFVSA-N 1 0 328.500 4.137 20 30 EIEDRO C=CCOc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2)cc1OC ZINC000506216511 1042155901 /nfs/dbraw/zinc/15/59/01/1042155901.db2.gz GKLGGPFQVVAXDW-UHFFFAOYSA-N 1 0 333.378 4.170 20 30 EIEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1C ZINC000438467944 1042199282 /nfs/dbraw/zinc/19/92/82/1042199282.db2.gz IOAFNCWOEJFIGB-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO CCC[N@H+](Cc1cc(C(=O)OC)sc1C)Cc1ccc(C#N)cc1 ZINC000464866336 1042208273 /nfs/dbraw/zinc/20/82/73/1042208273.db2.gz DIBMEPJPJFLYJD-UHFFFAOYSA-N 1 0 342.464 4.127 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cnnn1Cc1ccccc1)c1ccccc1 ZINC000491331505 1042230871 /nfs/dbraw/zinc/23/08/71/1042230871.db2.gz DBIQXGNTKJYUOY-NRFANRHFSA-N 1 0 332.451 4.124 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)cc1OC ZINC000506339100 1042332046 /nfs/dbraw/zinc/33/20/46/1042332046.db2.gz FXZSCASPZUGYQQ-MRXNPFEDSA-N 1 0 341.451 4.462 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(O)c(OC)c2)cc1Cl ZINC000506354293 1042343562 /nfs/dbraw/zinc/34/35/62/1042343562.db2.gz CQWABQLUSQJHFJ-UHFFFAOYSA-N 1 0 347.842 4.251 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426156868 1042350062 /nfs/dbraw/zinc/35/00/62/1042350062.db2.gz NIYLFABQMIBUBC-MRXNPFEDSA-N 1 0 341.451 4.077 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000303478998 1042444762 /nfs/dbraw/zinc/44/47/62/1042444762.db2.gz SNCFMZIHTUDXTI-FQEVSTJZSA-N 1 0 343.515 4.067 20 30 EIEDRO C#C[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000491535471 1042464169 /nfs/dbraw/zinc/46/41/69/1042464169.db2.gz BZNUOACCBDEFPL-MRXNPFEDSA-N 1 0 344.808 4.021 20 30 EIEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)C1CCN(c2ccccc2)CC1 ZINC000439014573 1042469007 /nfs/dbraw/zinc/46/90/07/1042469007.db2.gz IADVESNQXDVUIK-UHFFFAOYSA-N 1 0 338.882 4.292 20 30 EIEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000506475185 1042478166 /nfs/dbraw/zinc/47/81/66/1042478166.db2.gz SWWDXUHKQRVEBA-CQSZACIVSA-N 1 0 327.209 4.004 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC1(c2cc(C)ccc2OC)CCOCC1)C1CC1 ZINC000439079540 1042487809 /nfs/dbraw/zinc/48/78/09/1042487809.db2.gz SBVXFSDKAPAAAX-HXUWFJFHSA-N 1 0 343.511 4.386 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC1(c2ccc(OCC)cc2)CCOCC1)C1CC1 ZINC000439069628 1042491693 /nfs/dbraw/zinc/49/16/93/1042491693.db2.gz KJWKXSQDASGYNY-OAQYLSRUSA-N 1 0 343.511 4.468 20 30 EIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@@H](C)C(C)C)c1C#N ZINC000030150144 1042492605 /nfs/dbraw/zinc/49/26/05/1042492605.db2.gz RJLOAQZLXPSDEJ-HNNXBMFYSA-N 1 0 344.503 4.007 20 30 EIEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000443849416 1042517284 /nfs/dbraw/zinc/51/72/84/1042517284.db2.gz DFWDZTWTDUIRPF-WQUXRXDGSA-N 1 0 339.483 4.225 20 30 EIEDRO C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000271930940 1042524854 /nfs/dbraw/zinc/52/48/54/1042524854.db2.gz IEJYXGAZQQCMGO-OAHLLOKOSA-N 1 0 329.463 4.145 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(Cc3ccccc3Br)CC2)C1 ZINC000426298794 1042537552 /nfs/dbraw/zinc/53/75/52/1042537552.db2.gz PLDCHDZYDKPNKP-ZFWWWQNUSA-N 1 0 333.273 4.196 20 30 EIEDRO [NH2+]=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000261978595 1042540259 /nfs/dbraw/zinc/54/02/59/1042540259.db2.gz HAVTWWVUIKATOE-PZJWPPBQSA-N 1 0 349.478 4.070 20 30 EIEDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000492101292 1042559711 /nfs/dbraw/zinc/55/97/11/1042559711.db2.gz BDIMZJWFYWEODH-OXJNMPFZSA-N 1 0 340.492 4.157 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(C)(C)C)cc2)CC1 ZINC000173694454 1042601117 /nfs/dbraw/zinc/60/11/17/1042601117.db2.gz CRIFEQCJHVYUSA-UHFFFAOYSA-N 1 0 345.487 4.026 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1OC ZINC000439427150 1042617580 /nfs/dbraw/zinc/61/75/80/1042617580.db2.gz ASLAZBQLAHLDJQ-CYBMUJFWSA-N 1 0 344.842 4.388 20 30 EIEDRO Clc1ccc(C#CC[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000426378557 1042618710 /nfs/dbraw/zinc/61/87/10/1042618710.db2.gz LXGLVQRBVZEXRJ-UHFFFAOYSA-N 1 0 347.849 4.357 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439430980 1042621627 /nfs/dbraw/zinc/62/16/27/1042621627.db2.gz OCZKBCZJFYSOQQ-IIDMSEBBSA-N 1 0 331.891 4.049 20 30 EIEDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)cc1 ZINC000439452151 1042636762 /nfs/dbraw/zinc/63/67/62/1042636762.db2.gz LYKZSTLSXJOTJM-INIZCTEOSA-N 1 0 326.827 4.210 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)cc1Cl ZINC000518777434 1042681553 /nfs/dbraw/zinc/68/15/53/1042681553.db2.gz FIAYTGPNIKYEHK-AWEZNQCLSA-N 1 0 331.843 4.331 20 30 EIEDRO C[N@H+](CCCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000174809158 1042714723 /nfs/dbraw/zinc/71/47/23/1042714723.db2.gz FBTVSKXODQLKDM-UHFFFAOYSA-N 1 0 342.270 4.194 20 30 EIEDRO COc1ccccc1C[N@H+](CCCC(C)(C)C#N)C[C@@H]1CCCO1 ZINC000174863359 1042717847 /nfs/dbraw/zinc/71/78/47/1042717847.db2.gz UOSXIORNUCAISY-SFHVURJKSA-N 1 0 330.472 4.006 20 30 EIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000443993214 1042732570 /nfs/dbraw/zinc/73/25/70/1042732570.db2.gz KPEJKCIUHMROGM-VXKWHMMOSA-N 1 0 334.463 4.433 20 30 EIEDRO CCOc1cccc(C[NH2+]Cc2ccc(C#N)c(C)c2)c1OC(F)F ZINC000443996625 1042740732 /nfs/dbraw/zinc/74/07/32/1042740732.db2.gz VCRIRQWYWGGNMV-UHFFFAOYSA-N 1 0 346.377 4.157 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC2(C)C)ccc1Cl ZINC000492914191 1042767631 /nfs/dbraw/zinc/76/76/31/1042767631.db2.gz TZSOKKYAPHQWHY-KRWDZBQOSA-N 1 0 347.890 4.063 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c1C ZINC000519002864 1042786239 /nfs/dbraw/zinc/78/62/39/1042786239.db2.gz KHXFEQVOVYZBEU-LPHOPBHVSA-N 1 0 341.499 4.061 20 30 EIEDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1(C)C ZINC000353935681 1042838907 /nfs/dbraw/zinc/83/89/07/1042838907.db2.gz VFWNQRFNJFENSF-QUCCMNQESA-N 1 0 330.472 4.005 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(C)cc(F)c1)[C@@H]2CC ZINC001143586043 1042865517 /nfs/dbraw/zinc/86/55/17/1042865517.db2.gz RFSHLWYEZRGMJE-CTNGQTDRSA-N 1 0 344.474 4.056 20 30 EIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237178832 1042875432 /nfs/dbraw/zinc/87/54/32/1042875432.db2.gz CYBIPXAHLGPVPV-OAHLLOKOSA-N 1 0 342.414 4.368 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CC(C)(C)c2ccc(F)cc2)cc1 ZINC000237195779 1042902870 /nfs/dbraw/zinc/90/28/70/1042902870.db2.gz JPCPINQFOQXJEB-UHFFFAOYSA-N 1 0 339.458 4.243 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000237209957 1042953479 /nfs/dbraw/zinc/95/34/79/1042953479.db2.gz KXDLWHCMZVULJL-JOCHJYFZSA-N 1 0 333.479 4.147 20 30 EIEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000441672067 1042969270 /nfs/dbraw/zinc/96/92/70/1042969270.db2.gz UXLDZLLUGPSVEW-HNNXBMFYSA-N 1 0 333.501 4.076 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000925407638 1042996624 /nfs/dbraw/zinc/99/66/24/1042996624.db2.gz MLGNLNZWBWHAEJ-CQSZACIVSA-N 1 0 328.485 4.056 20 30 EIEDRO COc1cc(OC)cc(Oc2ccc(C[NH2+]CCCCC#N)cc2)c1 ZINC000237219264 1042998324 /nfs/dbraw/zinc/99/83/24/1042998324.db2.gz NUPIWSAKPJIZEE-UHFFFAOYSA-N 1 0 340.423 4.280 20 30 EIEDRO C=CCSCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000494049688 1043008978 /nfs/dbraw/zinc/00/89/78/1043008978.db2.gz PKSYGJRUJTUAPR-LJQANCHMSA-N 1 0 331.456 4.433 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1 ZINC000766032461 1043080087 /nfs/dbraw/zinc/08/00/87/1043080087.db2.gz VPZKGNRVHOKUFX-LPHOPBHVSA-N 1 0 345.870 4.072 20 30 EIEDRO C=CCC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000427645192 1043105800 /nfs/dbraw/zinc/10/58/00/1043105800.db2.gz MHFJYHRHDXTBPV-FKBYEOEOSA-N 1 0 348.490 4.298 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184838080 1043133799 /nfs/dbraw/zinc/13/37/99/1043133799.db2.gz ZQKLGMBHWSDWDQ-XJKSGUPXSA-N 1 0 342.405 4.027 20 30 EIEDRO C=CCOc1ccc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc1 ZINC000673898633 1043140442 /nfs/dbraw/zinc/14/04/42/1043140442.db2.gz HOTAMUZXBBXVFX-UHFFFAOYSA-N 1 0 335.407 4.030 20 30 EIEDRO C=CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000427659543 1043147874 /nfs/dbraw/zinc/14/78/74/1043147874.db2.gz JZXNGCOHWHWONT-CTNGQTDRSA-N 1 0 342.527 4.221 20 30 EIEDRO COc1cc(OC)c([C@@H](C)[NH2+]CC2CCC(C#N)CC2)cc1Cl ZINC000282462275 1043148480 /nfs/dbraw/zinc/14/84/80/1043148480.db2.gz VSNKRSMTPSUJBF-IYXRBSQSSA-N 1 0 336.863 4.338 20 30 EIEDRO CSc1ccc2c(c1)C(=O)/C(=C/c1ncc(CN(C)C)s1)CC2 ZINC000843274280 1043160142 /nfs/dbraw/zinc/16/01/42/1043160142.db2.gz VQDXMMFTFDMMIY-MDWZMJQESA-N 1 0 344.505 4.139 20 30 EIEDRO COCC[N@H+](CCc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000487403853 1043198019 /nfs/dbraw/zinc/19/80/19/1043198019.db2.gz SROFNBPXYKLUIV-UHFFFAOYSA-N 1 0 336.479 4.179 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1OC1CCCC1 ZINC000185813321 1043221771 /nfs/dbraw/zinc/22/17/71/1043221771.db2.gz HTMORUJTGASDAX-WBVHZDCISA-N 1 0 328.456 4.189 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C1 ZINC000185834190 1043223858 /nfs/dbraw/zinc/22/38/58/1043223858.db2.gz GMOINTXAEYYBSN-XJKSGUPXSA-N 1 0 333.273 4.153 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c(OC2CCCC2)c1 ZINC000185850779 1043225717 /nfs/dbraw/zinc/22/57/17/1043225717.db2.gz HFTBHPIEZUSRGH-RDJZCZTQSA-N 1 0 328.456 4.189 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c(OC(F)F)c1 ZINC000185855585 1043227227 /nfs/dbraw/zinc/22/72/27/1043227227.db2.gz GVKHFNFGILQARN-ZFWWWQNUSA-N 1 0 338.398 4.249 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)C1 ZINC000185879042 1043227993 /nfs/dbraw/zinc/22/79/93/1043227993.db2.gz XPLSIXJRFSGUTB-IUODEOHRSA-N 1 0 327.255 4.182 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2COc3ccccc3C2)cc1Cl ZINC000727469308 1043229174 /nfs/dbraw/zinc/22/91/74/1043229174.db2.gz VWVMLUOBGPCKBY-MRXNPFEDSA-N 1 0 343.854 4.246 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCOCc2ccc(Cl)cc2Cl)C1 ZINC000185879024 1043229686 /nfs/dbraw/zinc/22/96/86/1043229686.db2.gz XPLSIXJRFSGUTB-WFASDCNBSA-N 1 0 327.255 4.182 20 30 EIEDRO N#Cc1ccc2ncc(C[N@H+](C3CC3)[C@H]3CCCc4ccccc43)n2c1 ZINC000507995639 1043230052 /nfs/dbraw/zinc/23/00/52/1043230052.db2.gz VFOPFONDJIBZPV-NRFANRHFSA-N 1 0 342.446 4.248 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000186967317 1043287743 /nfs/dbraw/zinc/28/77/43/1043287743.db2.gz YEWGITCELDDICH-HNNXBMFYSA-N 1 0 330.435 4.375 20 30 EIEDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000311597254 1043309980 /nfs/dbraw/zinc/30/99/80/1043309980.db2.gz FPTDKLWEPMNPSX-HUUCEWRRSA-N 1 0 339.302 4.085 20 30 EIEDRO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)C1 ZINC000625705269 1043363487 /nfs/dbraw/zinc/36/34/87/1043363487.db2.gz ZMMVTVSBHUNQDT-ZDUSSCGKSA-N 1 0 329.469 4.075 20 30 EIEDRO Cc1cc(C)c(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000557331848 1043370795 /nfs/dbraw/zinc/37/07/95/1043370795.db2.gz YTRSTVCPKRYQFS-UHFFFAOYSA-N 1 0 333.479 4.242 20 30 EIEDRO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000499601369 1043390367 /nfs/dbraw/zinc/39/03/67/1043390367.db2.gz XAMJZRZDHASHLN-JKSUJKDBSA-N 1 0 330.447 4.234 20 30 EIEDRO C=CCN1CC[C@H]([NH2+][C@@H](CCC)c2ccc(Cl)c(Cl)c2)C1=O ZINC000499602075 1043396718 /nfs/dbraw/zinc/39/67/18/1043396718.db2.gz JCKVZTCVJXEWJO-HOTGVXAUSA-N 1 0 341.282 4.211 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@@H](C)c1nc2ccccc2s1 ZINC000467435662 1043413365 /nfs/dbraw/zinc/41/33/65/1043413365.db2.gz KOKYDGIVYWKKCA-HUUCEWRRSA-N 1 0 335.476 4.492 20 30 EIEDRO Cc1cc(C#N)cc(C)c1CNc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000922073537 1043416423 /nfs/dbraw/zinc/41/64/23/1043416423.db2.gz JWCPQVBCPPWHNT-HXUWFJFHSA-N 1 0 335.451 4.172 20 30 EIEDRO CC[C@]1(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)OCCc2ccccc21 ZINC000520900014 1043436195 /nfs/dbraw/zinc/43/61/95/1043436195.db2.gz HZOUFWHKTXSTBW-QVKFZJNVSA-N 1 0 338.426 4.226 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000520932060 1043448795 /nfs/dbraw/zinc/44/87/95/1043448795.db2.gz ZPPYFFSPFIKUOL-QFIPXVFZSA-N 1 0 336.479 4.178 20 30 EIEDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000499626477 1043498336 /nfs/dbraw/zinc/49/83/36/1043498336.db2.gz OUSLOAVFZXRPES-UGSOOPFHSA-N 1 0 348.368 4.189 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1F ZINC000494491403 1043517743 /nfs/dbraw/zinc/51/77/43/1043517743.db2.gz CSQZMLPKZUYNRU-FUHWJXTLSA-N 1 0 348.780 4.110 20 30 EIEDRO Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CC#Cc2ccccc2Cl)cc1 ZINC000494495358 1043522098 /nfs/dbraw/zinc/52/20/98/1043522098.db2.gz NQOBBZVYJPLMHM-OALUTQOASA-N 1 0 346.257 4.465 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(OC(C)C)CC1 ZINC000730565144 1043559497 /nfs/dbraw/zinc/55/94/97/1043559497.db2.gz RNQGGFZDAQTIBE-UHFFFAOYSA-N 1 0 345.512 4.161 20 30 EIEDRO Cc1ccc(SC2(C[NH2+]C[C@@H](C#N)CCC#N)CCCC2)cc1 ZINC000521167840 1043605542 /nfs/dbraw/zinc/60/55/42/1043605542.db2.gz ININVWMWYXIFNF-QGZVFWFLSA-N 1 0 327.497 4.433 20 30 EIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168765313 1043673118 /nfs/dbraw/zinc/67/31/18/1043673118.db2.gz VKSCWMZPUKKCDK-LSWWBPAMSA-N 1 0 331.456 4.024 20 30 EIEDRO COc1ccc2[nH]cc(C3CC[NH+](Cc4ccccc4C#N)CC3)c2c1 ZINC000142120725 1043718100 /nfs/dbraw/zinc/71/81/00/1043718100.db2.gz QOYJSXFCTIQLBP-UHFFFAOYSA-N 1 0 345.446 4.428 20 30 EIEDRO CCOc1cccc(/C=N/C[C@H]2CCC[N@@H+]2CC2CCCCC2)c1O ZINC000731488647 1043764653 /nfs/dbraw/zinc/76/46/53/1043764653.db2.gz OALGGXMQFUVFHM-VZMFNRANSA-N 1 0 344.499 4.255 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000191443185 1043817804 /nfs/dbraw/zinc/81/78/04/1043817804.db2.gz HUEJSESEQXTHBE-MRXNPFEDSA-N 1 0 331.504 4.390 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)C1 ZINC000442787169 1043834516 /nfs/dbraw/zinc/83/45/16/1043834516.db2.gz CRZCYUPFTVUGAF-UTKZUKDTSA-N 1 0 332.447 4.460 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCCO4)cc2)C1 ZINC000442787165 1043835208 /nfs/dbraw/zinc/83/52/08/1043835208.db2.gz CRZCYUPFTVUGAF-LAUBAEHRSA-N 1 0 332.447 4.460 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000442770647 1043838254 /nfs/dbraw/zinc/83/82/54/1043838254.db2.gz RWZULLWANBWTOY-PKTZIBPZSA-N 1 0 347.506 4.361 20 30 EIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442803540 1043847649 /nfs/dbraw/zinc/84/76/49/1043847649.db2.gz XAPGVCAHXYVHLT-HXUWFJFHSA-N 1 0 336.435 4.303 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000442823397 1043849703 /nfs/dbraw/zinc/84/97/03/1043849703.db2.gz FGCIGRRYDQMXQV-IUODEOHRSA-N 1 0 331.872 4.288 20 30 EIEDRO COc1cc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)ccc1C#N ZINC000442815129 1043853991 /nfs/dbraw/zinc/85/39/91/1043853991.db2.gz CCSOFCFYQIHQFR-UHFFFAOYSA-N 1 0 343.430 4.337 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467446575 1043859716 /nfs/dbraw/zinc/85/97/16/1043859716.db2.gz FCVPVBUZISILAH-KRWDZBQOSA-N 1 0 349.478 4.231 20 30 EIEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)Sc1ccc(Br)cc1 ZINC000442872954 1043872269 /nfs/dbraw/zinc/87/22/69/1043872269.db2.gz OGWWBRIWNFFTGX-BZPMIXESSA-N 1 0 339.302 4.212 20 30 EIEDRO C[C@@H]1Cc2cc(-c3ccc(C[NH2+][C@@H]4CC[C@H](C#N)C4)cc3)ccc2O1 ZINC000442853393 1043874455 /nfs/dbraw/zinc/87/44/55/1043874455.db2.gz ZOKSDXPQDFCFEK-LDBYXDLTSA-N 1 0 332.447 4.459 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)cc1OCCCC#N ZINC000442992181 1043937662 /nfs/dbraw/zinc/93/76/62/1043937662.db2.gz BWWFAKBLMZZAGU-SJLPKXTDSA-N 1 0 330.472 4.436 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000487425377 1044070365 /nfs/dbraw/zinc/07/03/65/1044070365.db2.gz GODSHAQYNXHKBN-QFIPXVFZSA-N 1 0 348.490 4.360 20 30 EIEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000245678909 1044074855 /nfs/dbraw/zinc/07/48/55/1044074855.db2.gz GFXWCTDKZQHLHV-TYILLQQXSA-N 1 0 349.434 4.080 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Br)s1 ZINC000443310218 1044172921 /nfs/dbraw/zinc/17/29/21/1044172921.db2.gz ISKJCNTWJZNVQM-LLVKDONJSA-N 1 0 335.270 4.427 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)cc1 ZINC000733322650 1044183679 /nfs/dbraw/zinc/18/36/79/1044183679.db2.gz RKDNQJGDCWPQPB-AWEZNQCLSA-N 1 0 331.362 4.151 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(OCC(C)C)c2)cc1 ZINC000733325485 1044188149 /nfs/dbraw/zinc/18/81/49/1044188149.db2.gz OORCSLPKRJLAQI-UHFFFAOYSA-N 1 0 337.463 4.413 20 30 EIEDRO C#CCOc1ccc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000733327217 1044194462 /nfs/dbraw/zinc/19/44/62/1044194462.db2.gz PWRFVPKXUKENCN-HSZRJFAPSA-N 1 0 348.490 4.015 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466278841 1044199671 /nfs/dbraw/zinc/19/96/71/1044199671.db2.gz YXWGKWQTGYFJKP-CMKODMSKSA-N 1 0 328.500 4.006 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 ZINC000174121223 1044222733 /nfs/dbraw/zinc/22/27/33/1044222733.db2.gz MTLCRSRWLOHLTL-RWBZWWBESA-N 1 0 343.471 4.045 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)o1 ZINC000174323000 1044258492 /nfs/dbraw/zinc/25/84/92/1044258492.db2.gz WXMFOOQMCXIZNT-UHFFFAOYSA-N 1 0 325.195 4.017 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnc3ccccc3c2)c1 ZINC000733800556 1044316974 /nfs/dbraw/zinc/31/69/74/1044316974.db2.gz ZZTUXVXVEPPDIB-IBGZPJMESA-N 1 0 331.419 4.206 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)ccc2OC)c1 ZINC000733800040 1044317152 /nfs/dbraw/zinc/31/71/52/1044317152.db2.gz CEGDEQMJEDJAQI-QGZVFWFLSA-N 1 0 344.842 4.319 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000466387867 1044373379 /nfs/dbraw/zinc/37/33/79/1044373379.db2.gz VUSJCQOFINWDEN-KRWDZBQOSA-N 1 0 337.389 4.395 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000466400733 1044390700 /nfs/dbraw/zinc/39/07/00/1044390700.db2.gz WMZJHGVJQSHBKG-CQSZACIVSA-N 1 0 332.469 4.175 20 30 EIEDRO C[C@@H](C[NH2+]CCc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000466408746 1044405355 /nfs/dbraw/zinc/40/53/55/1044405355.db2.gz IFIWRHAKPFYTHD-AWEZNQCLSA-N 1 0 343.268 4.257 20 30 EIEDRO Cc1cc(C[NH2+]CCc2cccc(C#N)c2)ccc1Oc1cccnc1 ZINC000466407989 1044410034 /nfs/dbraw/zinc/41/00/34/1044410034.db2.gz DJEJWGYBPNQCRA-UHFFFAOYSA-N 1 0 343.430 4.386 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2cc(C)ccc2OC)cc(OC)c1O ZINC000113315393 1044447151 /nfs/dbraw/zinc/44/71/51/1044447151.db2.gz SXIUJAFZWSNYTB-OAHLLOKOSA-N 1 0 341.451 4.297 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000922299534 1044472049 /nfs/dbraw/zinc/47/20/49/1044472049.db2.gz DEJLNIOKEWAPJU-CVEARBPZSA-N 1 0 336.819 4.032 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(OCCCC)c(OC)c2)CCOCC1 ZINC000657632336 1044485379 /nfs/dbraw/zinc/48/53/79/1044485379.db2.gz FZJXRLSEUGDYSN-UHFFFAOYSA-N 1 0 333.472 4.089 20 30 EIEDRO C=C(C[NH2+][C@H](C)c1ccc(OCCOC)c(OC)c1)c1ccccc1 ZINC000675784505 1044494618 /nfs/dbraw/zinc/49/46/18/1044494618.db2.gz YIVJBWREJRVSMM-QGZVFWFLSA-N 1 0 341.451 4.084 20 30 EIEDRO C=C(C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 ZINC000675783616 1044494637 /nfs/dbraw/zinc/49/46/37/1044494637.db2.gz MQGZXMKHRGJJOI-HNNXBMFYSA-N 1 0 327.424 4.076 20 30 EIEDRO C=CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000494916512 1044495902 /nfs/dbraw/zinc/49/59/02/1044495902.db2.gz TXNPNBSTFRYQDT-QFIPXVFZSA-N 1 0 348.490 4.259 20 30 EIEDRO C=C(C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 ZINC000675783617 1044496110 /nfs/dbraw/zinc/49/61/10/1044496110.db2.gz MQGZXMKHRGJJOI-OAHLLOKOSA-N 1 0 327.424 4.076 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000914582187 1044537203 /nfs/dbraw/zinc/53/72/03/1044537203.db2.gz XEEIJILARBFUMK-HNNXBMFYSA-N 1 0 335.403 4.304 20 30 EIEDRO CCCCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000734510903 1044594242 /nfs/dbraw/zinc/59/42/42/1044594242.db2.gz UYROINMDIUBTBH-QAPCUYQASA-N 1 0 329.488 4.470 20 30 EIEDRO C=CCC[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000495055118 1044623087 /nfs/dbraw/zinc/62/30/87/1044623087.db2.gz ZBZHVRMXSLPLAQ-PZJWPPBQSA-N 1 0 342.527 4.365 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000118399931 1044666901 /nfs/dbraw/zinc/66/69/01/1044666901.db2.gz LOBXDCMLUVXNRD-HBFSDRIKSA-N 1 0 325.500 4.206 20 30 EIEDRO CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(CN=Nc2ccccc2F)c1C ZINC000914695384 1044670355 /nfs/dbraw/zinc/67/03/55/1044670355.db2.gz SCUBTPFMKWSVJU-SFHVURJKSA-N 1 0 342.462 4.174 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CCC#N)cc1Br ZINC000229686330 1044733082 /nfs/dbraw/zinc/73/30/82/1044733082.db2.gz GIIUZGGIFSUVJA-GFCCVEGCSA-N 1 0 339.277 4.438 20 30 EIEDRO C[N@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000676556606 1044788448 /nfs/dbraw/zinc/78/84/48/1044788448.db2.gz SONSAMUCQWNXQV-RBBKRZOGSA-N 1 0 337.438 4.277 20 30 EIEDRO C[N@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000676556607 1044790071 /nfs/dbraw/zinc/79/00/71/1044790071.db2.gz SONSAMUCQWNXQV-UNMCSNQZSA-N 1 0 337.438 4.277 20 30 EIEDRO CCCO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309774 1044799764 /nfs/dbraw/zinc/79/97/64/1044799764.db2.gz TYINZDAZLMZNAE-QGZVFWFLSA-N 1 0 336.863 4.023 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3coc4ccccc34)CC2)nc1 ZINC000092854396 1044805595 /nfs/dbraw/zinc/80/55/95/1044805595.db2.gz HLQZKUPGRWDNGX-UHFFFAOYSA-N 1 0 347.418 4.179 20 30 EIEDRO C=C(Br)CN(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000729542556 1044807661 /nfs/dbraw/zinc/80/76/61/1044807661.db2.gz LVNBBVWYOOOLOI-WBVHZDCISA-N 1 0 337.305 4.052 20 30 EIEDRO C=C[C@](C)(CC)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000474244371 1044819840 /nfs/dbraw/zinc/81/98/40/1044819840.db2.gz HQQOSFBSVDCBKL-RZUBCFFCSA-N 1 0 340.511 4.102 20 30 EIEDRO C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000124063340 1044821541 /nfs/dbraw/zinc/82/15/41/1044821541.db2.gz NFNZIEQYHMRTMZ-AEFFLSMTSA-N 1 0 339.508 4.105 20 30 EIEDRO N#Cc1csc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000093342174 1044831573 /nfs/dbraw/zinc/83/15/73/1044831573.db2.gz JGVLQHVIESDZMQ-UHFFFAOYSA-N 1 0 326.465 4.049 20 30 EIEDRO C#CC[C@H](NC(=O)c1ccc(C[N@@H+](CC)CCC)cc1)c1ccccc1 ZINC001127325949 1044835231 /nfs/dbraw/zinc/83/52/31/1044835231.db2.gz FXANJMQZNCAXRB-QFIPXVFZSA-N 1 0 348.490 4.413 20 30 EIEDRO CC(C)CCO[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093476112 1044838724 /nfs/dbraw/zinc/83/87/24/1044838724.db2.gz ZHCPSYZOAUKINI-HXUWFJFHSA-N 1 0 330.472 4.006 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cc(F)ccc1OC ZINC000922623422 1044848802 /nfs/dbraw/zinc/84/88/02/1044848802.db2.gz UXUFJWBRIBKDKY-LIRRHRJNSA-N 1 0 342.414 4.366 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000895718528 1044863009 /nfs/dbraw/zinc/86/30/09/1044863009.db2.gz XCLZINZOEWCWGO-XLIONFOSSA-N 1 0 342.483 4.006 20 30 EIEDRO N#Cc1ccccc1C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000329800311 1044876742 /nfs/dbraw/zinc/87/67/42/1044876742.db2.gz YFMFACWJVMPUJH-UHFFFAOYSA-N 1 0 335.382 4.218 20 30 EIEDRO C=C(Cl)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000735925312 1044879346 /nfs/dbraw/zinc/87/93/46/1044879346.db2.gz BMPOPFPRAIEUAB-UHFFFAOYSA-N 1 0 327.815 4.283 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)ccc1OC ZINC000766214221 1044880828 /nfs/dbraw/zinc/88/08/28/1044880828.db2.gz LQMJDKZYOVBWCU-DJIMGWMZSA-N 1 0 330.472 4.290 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191662388 1044884621 /nfs/dbraw/zinc/88/46/21/1044884621.db2.gz PYYLNTZUHKCGTE-UHFFFAOYSA-N 1 0 344.380 4.332 20 30 EIEDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000895776333 1044887411 /nfs/dbraw/zinc/88/74/11/1044887411.db2.gz CLAMFHOUSTYDAW-ZSEKCTLFSA-N 1 0 340.429 4.093 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000543601724 1044893608 /nfs/dbraw/zinc/89/36/08/1044893608.db2.gz YESXURHYJLQQSO-CABCVRRESA-N 1 0 337.305 4.220 20 30 EIEDRO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000922760066 1044931180 /nfs/dbraw/zinc/93/11/80/1044931180.db2.gz YVWQMSJJBHGIOW-UHFFFAOYSA-N 1 0 336.464 4.052 20 30 EIEDRO CSC[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000429315364 1044933961 /nfs/dbraw/zinc/93/39/61/1044933961.db2.gz ZRPGFSAKTHJUBO-HNNXBMFYSA-N 1 0 327.415 4.132 20 30 EIEDRO Cn1cc(-c2ccc(C[NH2+][C@H](CCC#N)c3ccccc3)s2)cn1 ZINC000282379239 1044965612 /nfs/dbraw/zinc/96/56/12/1044965612.db2.gz YWINSNREKXEGSA-GOSISDBHSA-N 1 0 336.464 4.283 20 30 EIEDRO Cn1cc(-c2ccc(C[NH2+][C@@H](CCC#N)c3ccccc3)s2)cn1 ZINC000282379247 1044966212 /nfs/dbraw/zinc/96/62/12/1044966212.db2.gz YWINSNREKXEGSA-SFHVURJKSA-N 1 0 336.464 4.283 20 30 EIEDRO C=C(C)CC[N@@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000509348246 1044999636 /nfs/dbraw/zinc/99/96/36/1044999636.db2.gz LYNBUJGLKKOUAZ-UHFFFAOYSA-N 1 0 330.520 4.165 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2c(-c3ccccc3)nc3sccn32)c1 ZINC000915054109 1045005358 /nfs/dbraw/zinc/00/53/58/1045005358.db2.gz IKLOEQUJXUOTCF-UHFFFAOYSA-N 1 0 344.443 4.224 20 30 EIEDRO N#CCCOCC[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000338886805 1045020508 /nfs/dbraw/zinc/02/05/08/1045020508.db2.gz NCJJHXIYKHIAGR-UHFFFAOYSA-N 1 0 349.887 4.059 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125590190 1045021661 /nfs/dbraw/zinc/02/16/61/1045021661.db2.gz QGZJSOOFCOOSKJ-GFCCVEGCSA-N 1 0 348.372 4.241 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000738431793 1045059651 /nfs/dbraw/zinc/05/96/51/1045059651.db2.gz YQCRHZYLRYMUAY-AGHHOFFYSA-N 1 0 334.463 4.478 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000739930819 1045176494 /nfs/dbraw/zinc/17/64/94/1045176494.db2.gz PALWWVLBPOSAPM-GOSISDBHSA-N 1 0 343.515 4.292 20 30 EIEDRO Cc1ncc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)s1 ZINC000740014212 1045180235 /nfs/dbraw/zinc/18/02/35/1045180235.db2.gz OEPNGHUHWCXLPT-UHFFFAOYSA-N 1 0 325.462 4.342 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161918845 1045184094 /nfs/dbraw/zinc/18/40/94/1045184094.db2.gz XWTRLTQJZWPBKM-FZKQIMNGSA-N 1 0 349.400 4.030 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1cnn(Cc2ccccc2)c1)c1ccncc1 ZINC000766017334 1045184383 /nfs/dbraw/zinc/18/43/83/1045184383.db2.gz ABJQTJHIXMESHP-UTKZUKDTSA-N 1 0 332.451 4.294 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(COC)c1)c1ccncc1 ZINC000766018368 1045193226 /nfs/dbraw/zinc/19/32/26/1045193226.db2.gz GZINRGRTPDITEL-HNAYVOBHSA-N 1 0 326.440 4.205 20 30 EIEDRO CCCC[C@@H](CC)C[N@@H+]1CCCC2(CCN(C(=O)[C@H](C)C#N)CC2)C1 ZINC001272610760 1045221592 /nfs/dbraw/zinc/22/15/92/1045221592.db2.gz LNOCILCJKLDPIN-RTBURBONSA-N 1 0 347.547 4.067 20 30 EIEDRO CC(C)[N@H+](C)Cc1ccccc1CN=Cc1cc2ccccc2[nH]c1=O ZINC000915271163 1045226767 /nfs/dbraw/zinc/22/67/67/1045226767.db2.gz MJUVZENDVJNDKB-OEAKJJBVSA-N 1 0 347.462 4.400 20 30 EIEDRO Cc1cc(C#N)ccc1C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000162206944 1045231589 /nfs/dbraw/zinc/23/15/89/1045231589.db2.gz QDCOYNBIHBBQLS-UHFFFAOYSA-N 1 0 333.435 4.091 20 30 EIEDRO C=CC[N@@H+](CCOc1ccc2c(C)cc(=O)oc2c1)Cc1ccccc1 ZINC000740874850 1045235503 /nfs/dbraw/zinc/23/55/03/1045235503.db2.gz MNZCOSSQEKTMTL-UHFFFAOYSA-N 1 0 349.430 4.168 20 30 EIEDRO C[C@H](C#N)C[N@H+](CC/C=C\c1ccc(Br)cc1)C1CC1 ZINC000611091286 1045251680 /nfs/dbraw/zinc/25/16/80/1045251680.db2.gz PXVVMKNACSBCPV-CTGSTSKSSA-N 1 0 333.273 4.476 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccccc1Cl)[C@H]1OCCc2sccc21 ZINC000429122726 1045255682 /nfs/dbraw/zinc/25/56/82/1045255682.db2.gz QVELOFWICFMOOT-SCLBCKFNSA-N 1 0 331.868 4.045 20 30 EIEDRO N#Cc1cc(C[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)ccn1 ZINC000611186404 1045260421 /nfs/dbraw/zinc/26/04/21/1045260421.db2.gz RMVIDMHATRJTPV-HSZRJFAPSA-N 1 0 339.442 4.295 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000611192993 1045261604 /nfs/dbraw/zinc/26/16/04/1045261604.db2.gz YCTQCRAUKIJOBM-UTKZUKDTSA-N 1 0 333.479 4.262 20 30 EIEDRO CC[C@@H](C)Oc1cc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1OC ZINC000611254314 1045267181 /nfs/dbraw/zinc/26/71/81/1045267181.db2.gz BXVHXUBMSIAVRC-MRXNPFEDSA-N 1 0 338.451 4.376 20 30 EIEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000611266448 1045267862 /nfs/dbraw/zinc/26/78/62/1045267862.db2.gz QNSWGOKEGDTCTO-HNNXBMFYSA-N 1 0 337.492 4.035 20 30 EIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1F ZINC000611266422 1045268669 /nfs/dbraw/zinc/26/86/69/1045268669.db2.gz DXGWVUCLKNGHMP-INIZCTEOSA-N 1 0 335.382 4.218 20 30 EIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4cccc(C#N)c4F)C3)nc2c1 ZINC000611374393 1045290331 /nfs/dbraw/zinc/29/03/31/1045290331.db2.gz NWDFIEPCBYTEOE-KRWDZBQOSA-N 1 0 348.425 4.262 20 30 EIEDRO N#CCN1CCC([NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000611366185 1045293407 /nfs/dbraw/zinc/29/34/07/1045293407.db2.gz IACBDWOMUMUREQ-QGZVFWFLSA-N 1 0 338.282 4.022 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCCCC2)c1)c1cccc(C#N)c1 ZINC000611388363 1045295195 /nfs/dbraw/zinc/29/51/95/1045295195.db2.gz GIDPBMYMDCCYSW-QGZVFWFLSA-N 1 0 347.462 4.035 20 30 EIEDRO Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)c(Cl)c1 ZINC000611388461 1045295667 /nfs/dbraw/zinc/29/56/67/1045295667.db2.gz OQYOYOZLOMFFOZ-CQSZACIVSA-N 1 0 341.842 4.118 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000611390632 1045296470 /nfs/dbraw/zinc/29/64/70/1045296470.db2.gz MIBOPGYRSZIBCF-DHIUTWEWSA-N 1 0 345.490 4.362 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1nc2c(s1)CCCC2 ZINC000611394245 1045298586 /nfs/dbraw/zinc/29/85/86/1045298586.db2.gz YPIOLVLUQLGDQK-KRWDZBQOSA-N 1 0 337.492 4.103 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000611392934 1045299460 /nfs/dbraw/zinc/29/94/60/1045299460.db2.gz WWPCMEWNBMYANE-KNQAVFIVSA-N 1 0 331.463 4.194 20 30 EIEDRO Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390352 1045302116 /nfs/dbraw/zinc/30/21/16/1045302116.db2.gz UXRZFORQNLVIDY-HXUWFJFHSA-N 1 0 344.462 4.274 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611439457 1045308294 /nfs/dbraw/zinc/30/82/94/1045308294.db2.gz OXKAKXHFXOZQIN-IFZYUDKTSA-N 1 0 338.426 4.441 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)CC2 ZINC000611438840 1045308481 /nfs/dbraw/zinc/30/84/81/1045308481.db2.gz BAASJDIRTVTLHW-HSZRJFAPSA-N 1 0 345.490 4.108 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000236690020 1045363150 /nfs/dbraw/zinc/36/31/50/1045363150.db2.gz BHUHNLWKLMIUKG-UHFFFAOYSA-N 1 0 346.824 4.489 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCOc2cccc(Cl)c2)c1 ZINC000237781617 1045395425 /nfs/dbraw/zinc/39/54/25/1045395425.db2.gz CLDDBMNDKRNSGC-UHFFFAOYSA-N 1 0 344.842 4.191 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)cc1OC ZINC000272314227 1045412295 /nfs/dbraw/zinc/41/22/95/1045412295.db2.gz ULIITLMHJASHCQ-OAHLLOKOSA-N 1 0 336.435 4.224 20 30 EIEDRO CC(C)(C)c1nc(C[NH2+]CCSCc2ccccc2C#N)cs1 ZINC000193689315 1045440755 /nfs/dbraw/zinc/44/07/55/1045440755.db2.gz WUMYZZBFSXTFQS-UHFFFAOYSA-N 1 0 345.537 4.335 20 30 EIEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000915681709 1045446664 /nfs/dbraw/zinc/44/66/64/1045446664.db2.gz DIMMRZRBPNLFMD-MRXNPFEDSA-N 1 0 335.451 4.189 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCc2csc(C(C)(C)C)n2)cc1 ZINC000153689763 1045451384 /nfs/dbraw/zinc/45/13/84/1045451384.db2.gz GHSVRWUQBNQRDW-AWEZNQCLSA-N 1 0 343.496 4.064 20 30 EIEDRO CC[NH+](CC)Cc1cccc(CNc2nc(Cl)c(C#N)s2)c1 ZINC000804357437 1045572076 /nfs/dbraw/zinc/57/20/76/1045572076.db2.gz ASKSUQHYWJKKRW-UHFFFAOYSA-N 1 0 334.876 4.122 20 30 EIEDRO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000533559693 1045576604 /nfs/dbraw/zinc/57/66/04/1045576604.db2.gz AVBXCIXALBRHFF-INIZCTEOSA-N 1 0 335.382 4.218 20 30 EIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc([S@@](C)=O)cc1 ZINC000246320379 1045676872 /nfs/dbraw/zinc/67/68/72/1045676872.db2.gz FHNOUQVHQYUASO-FCORRRHLSA-N 1 0 326.465 4.120 20 30 EIEDRO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000767902006 1045677323 /nfs/dbraw/zinc/67/73/23/1045677323.db2.gz VLPWLHAMAVOMDZ-OAQYLSRUSA-N 1 0 336.479 4.352 20 30 EIEDRO Cc1cc2ncn(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)c2cc1C ZINC000767987255 1045693544 /nfs/dbraw/zinc/69/35/44/1045693544.db2.gz XUPJYBADMNSGDZ-UHFFFAOYSA-N 1 0 342.446 4.272 20 30 EIEDRO CCC[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000194410772 1045747534 /nfs/dbraw/zinc/74/75/34/1045747534.db2.gz VYASZHAVWCHZRA-MRXNPFEDSA-N 1 0 327.453 4.079 20 30 EIEDRO C#CCCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000768256329 1045770001 /nfs/dbraw/zinc/77/00/01/1045770001.db2.gz CIZDZEZOPSKUEQ-UHFFFAOYSA-N 1 0 330.431 4.125 20 30 EIEDRO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763232645 1045785970 /nfs/dbraw/zinc/78/59/70/1045785970.db2.gz AEJVUCPWTRUHLZ-GOSISDBHSA-N 1 0 349.261 4.421 20 30 EIEDRO Cc1ccc([C@H](NCc2ccc(OCC#N)cc2)c2ccccn2)cc1 ZINC000791639882 1045789966 /nfs/dbraw/zinc/78/99/66/1045789966.db2.gz OVUQWNRIWGPVFV-QFIPXVFZSA-N 1 0 343.430 4.172 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2cc(C#N)cc(Cl)n2)CC1 ZINC000768374688 1045801699 /nfs/dbraw/zinc/80/16/99/1045801699.db2.gz IENHSQXUIPYWPQ-CJNGLKHVSA-N 1 0 345.878 4.049 20 30 EIEDRO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768470795 1045812551 /nfs/dbraw/zinc/81/25/51/1045812551.db2.gz KAEXLIXMILQGOS-KRWDZBQOSA-N 1 0 338.451 4.398 20 30 EIEDRO CC[N@H+](CCc1cccs1)Cc1ccc(N(C)CCC#N)cc1 ZINC000768756768 1045837189 /nfs/dbraw/zinc/83/71/89/1045837189.db2.gz BYXFUDXEOLLTTP-UHFFFAOYSA-N 1 0 327.497 4.163 20 30 EIEDRO Cc1cc(Cl)ccc1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000768927261 1045861639 /nfs/dbraw/zinc/86/16/39/1045861639.db2.gz QALVLSKUFVKDIN-UHFFFAOYSA-N 1 0 344.842 4.036 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC000792179978 1045875051 /nfs/dbraw/zinc/87/50/51/1045875051.db2.gz JWTSXWNWILNEEE-UHFFFAOYSA-N 1 0 339.870 4.248 20 30 EIEDRO O[C@@H](C[C@@H]1CCCCC[N@@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000792239645 1045880460 /nfs/dbraw/zinc/88/04/60/1045880460.db2.gz CYBOKXMQNOEXSX-PMACEKPBSA-N 1 0 339.504 4.468 20 30 EIEDRO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC(=O)Cc2ccccc2)cc1 ZINC001170187536 1045919159 /nfs/dbraw/zinc/91/91/59/1045919159.db2.gz ZIXGUUHTWJXGPO-JOCHJYFZSA-N 1 0 334.463 4.233 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001170193650 1045921830 /nfs/dbraw/zinc/92/18/30/1045921830.db2.gz INMZARCSSUAOSI-WBVHZDCISA-N 1 0 327.390 4.212 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001170193646 1045924051 /nfs/dbraw/zinc/92/40/51/1045924051.db2.gz INMZARCSSUAOSI-NVXWUHKLSA-N 1 0 327.390 4.212 20 30 EIEDRO C[C@@H]1C[C@@H](C[NH+]2CCC(CCC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC000496416289 1045937950 /nfs/dbraw/zinc/93/79/50/1045937950.db2.gz ITMXATRIRDFBEH-AEFFLSMTSA-N 1 0 349.519 4.038 20 30 EIEDRO N#Cc1ccc(CNc2cc[nH+]c3ccc(C(F)(F)F)cc23)s1 ZINC001170202631 1045938499 /nfs/dbraw/zinc/93/84/99/1045938499.db2.gz ADZNIMITSDXSMM-UHFFFAOYSA-N 1 0 333.338 4.221 20 30 EIEDRO CSc1ccc(F)cc1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000744448716 1045963814 /nfs/dbraw/zinc/96/38/14/1045963814.db2.gz NHCHZOCLFGUETB-UHFFFAOYSA-N 1 0 343.471 4.187 20 30 EIEDRO Cc1cc(NCC(C)(C)S)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001170302034 1045982109 /nfs/dbraw/zinc/98/21/09/1045982109.db2.gz QGYSKIHJRMTQET-UHFFFAOYSA-N 1 0 341.524 4.069 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cscc2Cl)CC1 ZINC000614993330 1045989917 /nfs/dbraw/zinc/98/99/17/1045989917.db2.gz DHVXXGJFFKOKMM-UHFFFAOYSA-N 1 0 347.871 4.148 20 30 EIEDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769497484 1045997279 /nfs/dbraw/zinc/99/72/79/1045997279.db2.gz FMMRQSCNAFZCGA-PGRDOPGGSA-N 1 0 333.479 4.414 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496603487 1046001267 /nfs/dbraw/zinc/00/12/67/1046001267.db2.gz KGQMEGKZMHXLHC-ZRDSACAASA-N 1 0 349.519 4.084 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2nc(CC)sc21 ZINC000161515958 1046002934 /nfs/dbraw/zinc/00/29/34/1046002934.db2.gz QSYJPZUORSEQPR-OAHLLOKOSA-N 1 0 328.481 4.438 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2Cc3ccc(F)cc3C2)CC1 ZINC001170374090 1046031110 /nfs/dbraw/zinc/03/11/10/1046031110.db2.gz SBAGJPQBZCSBBY-ATKRNPRHSA-N 1 0 334.438 4.287 20 30 EIEDRO CC1(C)CC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC(C)(C)N1O ZINC001170009105 1046041060 /nfs/dbraw/zinc/04/10/60/1046041060.db2.gz MSUMFEBNBRNIOE-UHFFFAOYSA-N 1 0 341.499 4.148 20 30 EIEDRO COc1ccc(CNc2cc(C[NH+]3CCCC3)ccc2C)cc1C#N ZINC000152463386 1046063342 /nfs/dbraw/zinc/06/33/42/1046063342.db2.gz MALXBXUWTHCCPJ-UHFFFAOYSA-N 1 0 335.451 4.083 20 30 EIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(N2CCCC2=O)cc1 ZINC000769788763 1046074933 /nfs/dbraw/zinc/07/49/33/1046074933.db2.gz YBYSHXJEFUBYHA-MRXNPFEDSA-N 1 0 327.472 4.184 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2sccc2OC)cc(OC)c1OC ZINC000769962409 1046110490 /nfs/dbraw/zinc/11/04/90/1046110490.db2.gz HUDDBPRTUDYIMV-ZDUSSCGKSA-N 1 0 347.480 4.353 20 30 EIEDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000792989699 1046122221 /nfs/dbraw/zinc/12/22/21/1046122221.db2.gz JEWAKZZULUKLES-IRXDYDNUSA-N 1 0 326.465 4.334 20 30 EIEDRO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000763413399 1046146262 /nfs/dbraw/zinc/14/62/62/1046146262.db2.gz KVEPJIPOHBVNEN-XPGWFJOJSA-N 1 0 338.451 4.220 20 30 EIEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000770291970 1046174215 /nfs/dbraw/zinc/17/42/15/1046174215.db2.gz NZBBCYYFLRSRFZ-MSOLQXFVSA-N 1 0 343.492 4.401 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1F ZINC000192085384 1046180194 /nfs/dbraw/zinc/18/01/94/1046180194.db2.gz VIRTUJABSOXMEV-INIZCTEOSA-N 1 0 335.382 4.218 20 30 EIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000770353426 1046191158 /nfs/dbraw/zinc/19/11/58/1046191158.db2.gz SHHMRCKNVAYSPF-AYOQOUSVSA-N 1 0 330.472 4.003 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+]CC3CCC(c4ccccc4)CC3)n2c1 ZINC000237851900 1046255428 /nfs/dbraw/zinc/25/54/28/1046255428.db2.gz RTNCFUHBJRIGHR-UHFFFAOYSA-N 1 0 344.462 4.270 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000770710809 1046258487 /nfs/dbraw/zinc/25/84/87/1046258487.db2.gz MKCKQGXUBTZUDJ-LJQANCHMSA-N 1 0 347.405 4.400 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000793519680 1046262583 /nfs/dbraw/zinc/26/25/83/1046262583.db2.gz CDSIMXFMNQEXCY-QGZVFWFLSA-N 1 0 348.506 4.401 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(C)(OCC)CC1 ZINC000793545567 1046282437 /nfs/dbraw/zinc/28/24/37/1046282437.db2.gz IJKRGCBUGDIERA-UHFFFAOYSA-N 1 0 345.512 4.163 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000793566165 1046294198 /nfs/dbraw/zinc/29/41/98/1046294198.db2.gz NGHRAVZGIHNDPC-IEBWSBKVSA-N 1 0 329.488 4.407 20 30 EIEDRO C#CCCOc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000793618088 1046313012 /nfs/dbraw/zinc/31/30/12/1046313012.db2.gz ZRNLSAGENAOIHJ-SJORKVTESA-N 1 0 338.278 4.104 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000793617844 1046314158 /nfs/dbraw/zinc/31/41/58/1046314158.db2.gz SZEPQWXNVFCWIB-CVEARBPZSA-N 1 0 326.267 4.267 20 30 EIEDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000282068253 1046314874 /nfs/dbraw/zinc/31/48/74/1046314874.db2.gz SSMJQWVIVVPUBE-FUHWJXTLSA-N 1 0 330.447 4.104 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000154145633 1046335422 /nfs/dbraw/zinc/33/54/22/1046335422.db2.gz QAWGQNQUJJVCEQ-MSOLQXFVSA-N 1 0 349.478 4.428 20 30 EIEDRO C#CCCC[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000271769412 1046384432 /nfs/dbraw/zinc/38/44/32/1046384432.db2.gz NMOVUKWVKPCQSQ-INIZCTEOSA-N 1 0 338.426 4.071 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1sc(CCOC)nc1C)c1ccncc1 ZINC000771392094 1046394252 /nfs/dbraw/zinc/39/42/52/1046394252.db2.gz TWRDQSNCVYWKKF-CJNGLKHVSA-N 1 0 331.485 4.003 20 30 EIEDRO C=CCn1c(SCC[C@H]2CCC[N@H+]2C)nnc1-c1ccccc1C ZINC000126865605 1046576937 /nfs/dbraw/zinc/57/69/37/1046576937.db2.gz CPZHOYDXIKDMIE-MRXNPFEDSA-N 1 0 342.512 4.016 20 30 EIEDRO C=CCCC[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC001129668480 1046631404 /nfs/dbraw/zinc/63/14/04/1046631404.db2.gz MOYGMCDCXNDCFS-FQEVSTJZSA-N 1 0 333.435 4.091 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(F)F)CC2)ccc1OC ZINC000536681052 1046645298 /nfs/dbraw/zinc/64/52/98/1046645298.db2.gz KTTYMYYGIILLQA-UHFFFAOYSA-N 1 0 325.399 4.127 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1cc(Br)c(OCC)c(OC)c1 ZINC000536681770 1046647585 /nfs/dbraw/zinc/64/75/85/1046647585.db2.gz XWCHUHPLCMOBOK-UHFFFAOYSA-N 1 0 342.277 4.254 20 30 EIEDRO Cc1ccc(C)c([C@H]2CN(Cc3ccc(C#N)cc3F)[C@@H](C)CO2)c1 ZINC000536680551 1046668848 /nfs/dbraw/zinc/66/88/48/1046668848.db2.gz UFIUTCDSFBRYNW-HRAATJIYSA-N 1 0 338.426 4.276 20 30 EIEDRO C[N@H+](Cc1ccccc1NC(=O)C#Cc1ccccc1)C1CCCCC1 ZINC000747202913 1046680449 /nfs/dbraw/zinc/68/04/49/1046680449.db2.gz FQDRZNMADRWOSI-UHFFFAOYSA-N 1 0 346.474 4.441 20 30 EIEDRO C#CC[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCc2ccccc21 ZINC000772598346 1046682129 /nfs/dbraw/zinc/68/21/29/1046682129.db2.gz LBBAZLJPXLQFLA-HSZRJFAPSA-N 1 0 344.458 4.492 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCSCC(F)(F)F)cc1Cl ZINC000536702731 1046701286 /nfs/dbraw/zinc/70/12/86/1046701286.db2.gz NBWJWISELLPIBD-UHFFFAOYSA-N 1 0 339.810 4.290 20 30 EIEDRO N#CCSCCC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000080625766 1046734420 /nfs/dbraw/zinc/73/44/20/1046734420.db2.gz UYGREYLMZCBXDM-MRXNPFEDSA-N 1 0 334.535 4.404 20 30 EIEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000497407395 1046794265 /nfs/dbraw/zinc/79/42/65/1046794265.db2.gz LUSLLLQVCHOVMO-SFHVURJKSA-N 1 0 341.480 4.277 20 30 EIEDRO CC[C@@H](CC#N)[NH2+][C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170468123 1046801140 /nfs/dbraw/zinc/80/11/40/1046801140.db2.gz HAXLSVRZEYXLMZ-LUKYLMHMSA-N 1 0 337.508 4.225 20 30 EIEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170467962 1046813943 /nfs/dbraw/zinc/81/39/43/1046813943.db2.gz FZBQQAWNEOPHRG-LJCCNALRSA-N 1 0 336.520 4.335 20 30 EIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000536840549 1046814185 /nfs/dbraw/zinc/81/41/85/1046814185.db2.gz UOMRFJSHUZYPTD-FXAWDEMLSA-N 1 0 335.451 4.347 20 30 EIEDRO CCCCCCCOC(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000786337947 1046831621 /nfs/dbraw/zinc/83/16/21/1046831621.db2.gz VIQBTBOLUCCQQQ-UHFFFAOYSA-N 1 0 337.370 4.332 20 30 EIEDRO COc1cc(C[NH2+]CC(C)(C)CC#N)c(-c2ccccc2)cc1OC ZINC000459694841 1046860910 /nfs/dbraw/zinc/86/09/10/1046860910.db2.gz NZIUJARLLIWBJI-UHFFFAOYSA-N 1 0 338.451 4.400 20 30 EIEDRO Cc1cc(NCc2cccc(OCCCC#N)c2)ccc1C[NH+](C)C ZINC000459735266 1046870957 /nfs/dbraw/zinc/87/09/57/1046870957.db2.gz DTGWOGZFEANMAF-UHFFFAOYSA-N 1 0 337.467 4.351 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)c1 ZINC000786852618 1046875366 /nfs/dbraw/zinc/87/53/66/1046875366.db2.gz HTNVOXOFSZCFMQ-LDQXTDLNSA-N 1 0 338.451 4.233 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(Br)cs1 ZINC000786858833 1046875669 /nfs/dbraw/zinc/87/56/69/1046875669.db2.gz DSLLLYHEBBQPJB-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](COC)c2ccc(Cl)cc2)cc1 ZINC000786958757 1046883297 /nfs/dbraw/zinc/88/32/97/1046883297.db2.gz NLLVXEJNFLFVSX-MGPUTAFESA-N 1 0 343.854 4.390 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](COC)c2ccc(Cl)cc2)cc1 ZINC000786958761 1046883846 /nfs/dbraw/zinc/88/38/46/1046883846.db2.gz NLLVXEJNFLFVSX-QRWLVFNGSA-N 1 0 343.854 4.390 20 30 EIEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000537017981 1046890250 /nfs/dbraw/zinc/89/02/50/1046890250.db2.gz BCEVVPPPLJDUJL-AWEZNQCLSA-N 1 0 346.377 4.279 20 30 EIEDRO COCc1cc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)ccc1OC ZINC000787034661 1046896019 /nfs/dbraw/zinc/89/60/19/1046896019.db2.gz TWUZZMGYZMJLLL-JLTOFOAXSA-N 1 0 336.435 4.051 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000537030091 1046907596 /nfs/dbraw/zinc/90/75/96/1046907596.db2.gz YYLZBWOSCMDZRF-YOEHRIQHSA-N 1 0 347.890 4.112 20 30 EIEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl ZINC000537087655 1046937580 /nfs/dbraw/zinc/93/75/80/1046937580.db2.gz BQUDOYWKGPJYQA-IBGZPJMESA-N 1 0 341.842 4.137 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000537107811 1046957413 /nfs/dbraw/zinc/95/74/13/1046957413.db2.gz QCTZDDNYNYZRFZ-WOJBJXKFSA-N 1 0 331.406 4.165 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(Cl)nc1C(F)(F)F)c1cccc(C#N)c1 ZINC000787280046 1046967094 /nfs/dbraw/zinc/96/70/94/1046967094.db2.gz PZLZADXIAOKHNS-SNVBAGLBSA-N 1 0 339.748 4.476 20 30 EIEDRO CC(C)(CCC#N)COC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000805948724 1047060110 /nfs/dbraw/zinc/06/01/10/1047060110.db2.gz HYPSUGLIHBXSBQ-UHFFFAOYSA-N 1 0 342.483 4.162 20 30 EIEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)c1cccc(Br)c1 ZINC000537296339 1047077449 /nfs/dbraw/zinc/07/74/49/1047077449.db2.gz YERBUKFSIIPIDW-UHFFFAOYSA-N 1 0 349.297 4.450 20 30 EIEDRO C[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000537297026 1047079245 /nfs/dbraw/zinc/07/92/45/1047079245.db2.gz LQHDAFDHCDIXOW-SFHVURJKSA-N 1 0 339.527 4.329 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000537305464 1047091025 /nfs/dbraw/zinc/09/10/25/1047091025.db2.gz UMRUFPYXMVDGPV-VHKYSDTDSA-N 1 0 339.870 4.308 20 30 EIEDRO N#Cc1ccccc1-c1ccccc1C(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788119842 1047108286 /nfs/dbraw/zinc/10/82/86/1047108286.db2.gz ONXHFYFUKPLYDN-ZWKOTPCHSA-N 1 0 346.430 4.009 20 30 EIEDRO CCCCCOc1ccc(C[NH2+]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000746742075 1047153754 /nfs/dbraw/zinc/15/37/54/1047153754.db2.gz OMORDZNHTOBEAE-UHFFFAOYSA-N 1 0 338.451 4.426 20 30 EIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCc2nc(Cl)ccc21)C(C)C ZINC000806131032 1047154849 /nfs/dbraw/zinc/15/48/49/1047154849.db2.gz FOIKMFXRONMIFW-SJLPKXTDSA-N 1 0 333.907 4.011 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)c1 ZINC000806146308 1047170991 /nfs/dbraw/zinc/17/09/91/1047170991.db2.gz MWVQTFOVUOWNHN-WMLDXEAASA-N 1 0 341.842 4.193 20 30 EIEDRO C[NH+](C)[C@H]1CCCC(N=Nc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000788409103 1047187137 /nfs/dbraw/zinc/18/71/37/1047187137.db2.gz SDQYTGCZLXTWNB-NSHDSACASA-N 1 0 334.773 4.026 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)c(F)c1 ZINC000537400036 1047189605 /nfs/dbraw/zinc/18/96/05/1047189605.db2.gz ICCGKZARJACNBS-DJJJIMSYSA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(Br)c(F)cc1[O-] ZINC000806177623 1047200852 /nfs/dbraw/zinc/20/08/52/1047200852.db2.gz DUAYWNBIRWLGOC-SNVBAGLBSA-N 1 0 343.240 4.274 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc3ccccc3[nH]2)ccc1OC ZINC000788517540 1047212461 /nfs/dbraw/zinc/21/24/61/1047212461.db2.gz CHIGYIGRVWPFAQ-SFHVURJKSA-N 1 0 349.434 4.147 20 30 EIEDRO C=CCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000918060179 1047309436 /nfs/dbraw/zinc/30/94/36/1047309436.db2.gz GFKFSCKCCWGIPF-GOSISDBHSA-N 1 0 349.906 4.083 20 30 EIEDRO N#CCCCOc1cccc(N[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000325727634 1047311532 /nfs/dbraw/zinc/31/15/32/1047311532.db2.gz ZUTHQLSXKHPJOG-SLFFLAALSA-N 1 0 327.472 4.092 20 30 EIEDRO C=CC[C@H]([NH2+]Cc1nc2ccc(OC)cc2s1)c1ccncc1 ZINC000788962862 1047335093 /nfs/dbraw/zinc/33/50/93/1047335093.db2.gz KKENNPKKJJLBDP-HNNXBMFYSA-N 1 0 325.437 4.107 20 30 EIEDRO N#Cc1ccsc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000194605413 1047398512 /nfs/dbraw/zinc/39/85/12/1047398512.db2.gz JQECTCDOXOXGFJ-UHFFFAOYSA-N 1 0 339.464 4.248 20 30 EIEDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000325046497 1047405834 /nfs/dbraw/zinc/40/58/34/1047405834.db2.gz RJAQJLPDCLOAPN-CQSZACIVSA-N 1 0 341.842 4.233 20 30 EIEDRO C=CCCC1(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000476193709 1047420857 /nfs/dbraw/zinc/42/08/57/1047420857.db2.gz PQHQGQDTVNIWFH-HXUWFJFHSA-N 1 0 340.511 4.103 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc(Br)cs1 ZINC000069710415 1047454550 /nfs/dbraw/zinc/45/45/50/1047454550.db2.gz QIBSEBOANQEQPM-UHFFFAOYSA-N 1 0 338.270 4.365 20 30 EIEDRO C=CCC(C)(C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000556139194 1047491833 /nfs/dbraw/zinc/49/18/33/1047491833.db2.gz YNDQBBCRTQENML-QGZVFWFLSA-N 1 0 328.500 4.369 20 30 EIEDRO Cc1cccc(Cl)c1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000842016632 1047524461 /nfs/dbraw/zinc/52/44/61/1047524461.db2.gz APHFDXRPJQGWHV-UHFFFAOYSA-N 1 0 344.842 4.036 20 30 EIEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCC=CCCC2)c(-c2ccncc2)n1 ZINC000898032816 1047533962 /nfs/dbraw/zinc/53/39/62/1047533962.db2.gz XUXQIYRAIGJMMK-SFHVURJKSA-N 1 0 349.482 4.085 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(C(=O)OC)cc2)cc1 ZINC000556194332 1047554421 /nfs/dbraw/zinc/55/44/21/1047554421.db2.gz YJCKWFZSRIYFAA-FQEVSTJZSA-N 1 0 339.435 4.279 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1nccnc1C1CCC1 ZINC000807992056 1047566729 /nfs/dbraw/zinc/56/67/29/1047566729.db2.gz YYNQMSOVQRDZLM-INIZCTEOSA-N 1 0 349.482 4.054 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000918736477 1047626079 /nfs/dbraw/zinc/62/60/79/1047626079.db2.gz OHHVCMMPEVJMJK-MRXNPFEDSA-N 1 0 341.398 4.489 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(OC(C)C)c(Cl)c2)CC1 ZINC000556583760 1047832361 /nfs/dbraw/zinc/83/23/61/1047832361.db2.gz LHRQZJOEPFETJK-HNNXBMFYSA-N 1 0 336.907 4.428 20 30 EIEDRO CCC(CC)[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccccc1 ZINC000556595982 1047833693 /nfs/dbraw/zinc/83/36/93/1047833693.db2.gz KGGQMZJGPYQEMD-OAQYLSRUSA-N 1 0 332.451 4.473 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000556595657 1047833980 /nfs/dbraw/zinc/83/39/80/1047833980.db2.gz LWDQFTSTPVVKMC-CQSZACIVSA-N 1 0 330.391 4.111 20 30 EIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000556599463 1047835158 /nfs/dbraw/zinc/83/51/58/1047835158.db2.gz SBCOQGAKODXXPU-LAUBAEHRSA-N 1 0 337.511 4.180 20 30 EIEDRO C=C(C)CN(C)C(=O)[C@H](c1cccc(C(F)(F)F)c1)[NH+](CC)CC ZINC001131243615 1047862604 /nfs/dbraw/zinc/86/26/04/1047862604.db2.gz IMKRGUGHQPKNGB-INIZCTEOSA-N 1 0 342.405 4.123 20 30 EIEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000824376734 1047864127 /nfs/dbraw/zinc/86/41/27/1047864127.db2.gz MDXTYZTXHKILNH-MLZSNDPCSA-N 1 0 349.519 4.082 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)c1 ZINC000808448639 1047912378 /nfs/dbraw/zinc/91/23/78/1047912378.db2.gz HRKLWHVEDGQYGN-VQTJNVASSA-N 1 0 334.444 4.184 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000814249751 1047919653 /nfs/dbraw/zinc/91/96/53/1047919653.db2.gz NCTHMCDOAWOTNB-HZPDHXFCSA-N 1 0 349.434 4.317 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000808430216 1047940714 /nfs/dbraw/zinc/94/07/14/1047940714.db2.gz UQHZXAIZCGBBMN-UHFFFAOYSA-N 1 0 344.459 4.005 20 30 EIEDRO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CC(C)(C)CCC#N ZINC000808430362 1047941167 /nfs/dbraw/zinc/94/11/67/1047941167.db2.gz WHNIYCFDZSXXBK-UHFFFAOYSA-N 1 0 330.863 4.254 20 30 EIEDRO CN(C)c1ccc(C[NH2+]CC(C)(C)CCC#N)c(C(F)(F)F)c1 ZINC000808431576 1047944274 /nfs/dbraw/zinc/94/42/74/1047944274.db2.gz ZPLLWEXYNBOSHV-UHFFFAOYSA-N 1 0 327.394 4.191 20 30 EIEDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000825090462 1048035684 /nfs/dbraw/zinc/03/56/84/1048035684.db2.gz AHGZAVMWJLZICH-ATZDWAIDSA-N 1 0 336.435 4.022 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000072727667 1048062896 /nfs/dbraw/zinc/06/28/96/1048062896.db2.gz NAQCENNRLFWJLR-UHFFFAOYSA-N 1 0 347.462 4.344 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H](c1ccccc1OC)N(C)C)c1ccco1 ZINC000556864525 1048070074 /nfs/dbraw/zinc/07/00/74/1048070074.db2.gz QPBSHQFSWMJMJU-ZWKOTPCHSA-N 1 0 328.456 4.188 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](c1ccccc1OC)N(C)C)c1ccco1 ZINC000556864524 1048071170 /nfs/dbraw/zinc/07/11/70/1048071170.db2.gz QPBSHQFSWMJMJU-ROUUACIJSA-N 1 0 328.456 4.188 20 30 EIEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC000556865267 1048073184 /nfs/dbraw/zinc/07/31/84/1048073184.db2.gz NTLRAYFADJQCMO-QRWLVFNGSA-N 1 0 335.451 4.033 20 30 EIEDRO N#Cc1c[nH]c2cc(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)ccc12 ZINC001170752987 1048076646 /nfs/dbraw/zinc/07/66/46/1048076646.db2.gz WRCSZSHAEPGMKM-FQEVSTJZSA-N 1 0 344.462 4.159 20 30 EIEDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000814656818 1048104053 /nfs/dbraw/zinc/10/40/53/1048104053.db2.gz ABJGXGZAMXFRCD-UXHICEINSA-N 1 0 326.415 4.192 20 30 EIEDRO Cc1cc2ccc(Cl)cc2nc1N=NC(C)C1CC[NH+](C)CC1 ZINC000814897251 1048223680 /nfs/dbraw/zinc/22/36/80/1048223680.db2.gz OBQZAXWKGXPWRZ-UHFFFAOYSA-N 1 0 330.863 4.326 20 30 EIEDRO N#Cc1ccc(C[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C2CC2)cc1 ZINC000815027274 1048308970 /nfs/dbraw/zinc/30/89/70/1048308970.db2.gz BKHCZBXFWKSKGJ-LJQANCHMSA-N 1 0 332.403 4.002 20 30 EIEDRO CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]2CCC[C@H]21 ZINC000556960564 1048321541 /nfs/dbraw/zinc/32/15/41/1048321541.db2.gz VPQMPDXSRYZNNF-UXHICEINSA-N 1 0 348.494 4.474 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000815083363 1048324466 /nfs/dbraw/zinc/32/44/66/1048324466.db2.gz OFEPYPLLUAADLJ-KRWDZBQOSA-N 1 0 348.324 4.468 20 30 EIEDRO C=CCC[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000132516315 1048329793 /nfs/dbraw/zinc/32/97/93/1048329793.db2.gz HLTPQINMNVNGIW-UHFFFAOYSA-N 1 0 337.463 4.437 20 30 EIEDRO N#CCOc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000844461651 1048352998 /nfs/dbraw/zinc/35/29/98/1048352998.db2.gz HQSLROPAARNYET-UHFFFAOYSA-N 1 0 346.352 4.387 20 30 EIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000844474489 1048357901 /nfs/dbraw/zinc/35/79/01/1048357901.db2.gz RNPRQYDZAKQPLA-FKBYEOEOSA-N 1 0 348.446 4.084 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000809546222 1048409280 /nfs/dbraw/zinc/40/92/80/1048409280.db2.gz YWJGBJXHJCAHSA-UHFFFAOYSA-N 1 0 337.850 4.416 20 30 EIEDRO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC001144084809 1048413941 /nfs/dbraw/zinc/41/39/41/1048413941.db2.gz NQORWEJIRASDOV-KRWDZBQOSA-N 1 0 331.341 4.309 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000809607729 1048415167 /nfs/dbraw/zinc/41/51/67/1048415167.db2.gz HAQYPMUKWAHSPH-GOSISDBHSA-N 1 0 342.442 4.493 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)cc1 ZINC000809609767 1048418983 /nfs/dbraw/zinc/41/89/83/1048418983.db2.gz OBGJVSMCHAHJAR-UHFFFAOYSA-N 1 0 332.378 4.284 20 30 EIEDRO C[C@@H](O)c1ncc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000809635525 1048446080 /nfs/dbraw/zinc/44/60/80/1048446080.db2.gz YHFBIZXAVQRLHE-CQSZACIVSA-N 1 0 349.459 4.025 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)nc1 ZINC001144166790 1048479030 /nfs/dbraw/zinc/47/90/30/1048479030.db2.gz WGCPBEJMJQUUKT-QGZVFWFLSA-N 1 0 347.340 4.189 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC000809737462 1048508496 /nfs/dbraw/zinc/50/84/96/1048508496.db2.gz IDCJVEDBKXWDMO-UHFFFAOYSA-N 1 0 340.854 4.127 20 30 EIEDRO C#CCCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000815584481 1048522820 /nfs/dbraw/zinc/52/28/20/1048522820.db2.gz FOKKRCYWAKLUSB-MRXNPFEDSA-N 1 0 336.204 4.274 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1 ZINC000815644739 1048570162 /nfs/dbraw/zinc/57/01/62/1048570162.db2.gz KPVURZGAKQAUBZ-AWEZNQCLSA-N 1 0 348.368 4.006 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccc(CC)c1)[C@H]2CC ZINC001144321267 1048589548 /nfs/dbraw/zinc/58/95/48/1048589548.db2.gz FRFYGHWZIGNLSE-UNMCSNQZSA-N 1 0 340.511 4.171 20 30 EIEDRO CC[NH+](CC)CCOc1ccc(NCc2ccc(C#N)cc2F)cc1 ZINC000772918337 1048602078 /nfs/dbraw/zinc/60/20/78/1048602078.db2.gz LRVYMPCPLKORGG-UHFFFAOYSA-N 1 0 341.430 4.030 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(C#N)cc4[nH]ccc43)c2c1 ZINC001171169577 1048618383 /nfs/dbraw/zinc/61/83/83/1048618383.db2.gz PUKZXNICDDAAOU-AWEZNQCLSA-N 1 0 328.419 4.182 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCOc1cccc(Cl)c1 ZINC001171178183 1048651468 /nfs/dbraw/zinc/65/14/68/1048651468.db2.gz DEEZUXGIDUSEMB-OAHLLOKOSA-N 1 0 328.843 4.201 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccccc1Br ZINC001171179552 1048653222 /nfs/dbraw/zinc/65/32/22/1048653222.db2.gz TWXSSVLZQVBPEP-CQSZACIVSA-N 1 0 343.268 4.084 20 30 EIEDRO Cc1cc(C)cc([C@H](O)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000810156071 1048662559 /nfs/dbraw/zinc/66/25/59/1048662559.db2.gz RJBDQAQEINKMLC-GOSISDBHSA-N 1 0 348.368 4.017 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)ccc1Br ZINC001171184134 1048673504 /nfs/dbraw/zinc/67/35/04/1048673504.db2.gz KDEODQHDBKDFDM-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1c(F)cccc1C(F)(F)F ZINC001171183622 1048673887 /nfs/dbraw/zinc/67/38/87/1048673887.db2.gz HCNKFZXDVNIZFF-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO [NH2+]=C(Nc1ccnc2c(F)cccc12)c1ccc2cc(O)ccc2c1 ZINC001171182372 1048674035 /nfs/dbraw/zinc/67/40/35/1048674035.db2.gz LAWOFTCVHWPZCK-UHFFFAOYSA-N 1 0 331.350 4.270 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(F)ccc1Br ZINC001171184135 1048674303 /nfs/dbraw/zinc/67/43/03/1048674303.db2.gz KDEODQHDBKDFDM-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC001171186594 1048677922 /nfs/dbraw/zinc/67/79/22/1048677922.db2.gz XDECUUWZVAWKOM-JTSKRJEESA-N 1 0 327.431 4.263 20 30 EIEDRO COc1ccc2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc2n1 ZINC001171185520 1048684187 /nfs/dbraw/zinc/68/41/87/1048684187.db2.gz ZILGEJNQXMQPAT-UHFFFAOYSA-N 1 0 343.386 4.139 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC001171189631 1048685485 /nfs/dbraw/zinc/68/54/85/1048685485.db2.gz HZJYJSSKXMPJPS-KRWDZBQOSA-N 1 0 327.431 4.341 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC001171189297 1048685776 /nfs/dbraw/zinc/68/57/76/1048685776.db2.gz CPQAAEJJIWQWEE-AWEZNQCLSA-N 1 0 332.369 4.340 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC001171189881 1048687480 /nfs/dbraw/zinc/68/74/80/1048687480.db2.gz NTKKTKZTYQMHEA-CQSZACIVSA-N 1 0 348.368 4.220 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000810239257 1048723107 /nfs/dbraw/zinc/72/31/07/1048723107.db2.gz YGNNTIZKYWLFTD-MJEQTWJJSA-N 1 0 343.389 4.433 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(Br)nc2)cc1 ZINC000810241316 1048724277 /nfs/dbraw/zinc/72/42/77/1048724277.db2.gz RJVVMGJEZLLQDQ-ZDUSSCGKSA-N 1 0 347.256 4.260 20 30 EIEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)cc1 ZINC001144569007 1048731968 /nfs/dbraw/zinc/73/19/68/1048731968.db2.gz IOEICNRVFWYGTL-DHIUTWEWSA-N 1 0 331.459 4.207 20 30 EIEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)cc1 ZINC001144569022 1048732972 /nfs/dbraw/zinc/73/29/72/1048732972.db2.gz IOEICNRVFWYGTL-XZOQPEGZSA-N 1 0 331.459 4.207 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001135487001 1048747115 /nfs/dbraw/zinc/74/71/15/1048747115.db2.gz NLOYXTNFBXRIGT-HNNXBMFYSA-N 1 0 340.920 4.037 20 30 EIEDRO C=CC[C@@H]1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000845948387 1048761244 /nfs/dbraw/zinc/76/12/44/1048761244.db2.gz DZJWJLPQVQDQDQ-IEBWSBKVSA-N 1 0 327.516 4.374 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(N3CCCNC3=O)cc2)C1 ZINC000845978914 1048773398 /nfs/dbraw/zinc/77/33/98/1048773398.db2.gz YTQWYRGRKUBJFJ-NUJGCVRESA-N 1 0 327.472 4.002 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)C1 ZINC000845977868 1048773973 /nfs/dbraw/zinc/77/39/73/1048773973.db2.gz RQVRMXWVWFHMIT-JZXOWHBKSA-N 1 0 328.456 4.429 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001171203053 1048776783 /nfs/dbraw/zinc/77/67/83/1048776783.db2.gz IJCMWDKDQUHXCA-GOSISDBHSA-N 1 0 329.447 4.047 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(COc3ccccc3)cc2)cc1 ZINC000075802373 1048780298 /nfs/dbraw/zinc/78/02/98/1048780298.db2.gz GKKMDRPTDYXGFM-UHFFFAOYSA-N 1 0 328.415 4.427 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(Cl)ccc2O)ccc1OC ZINC000846058187 1048797455 /nfs/dbraw/zinc/79/74/55/1048797455.db2.gz NGUDYTFDPQMKIY-UHFFFAOYSA-N 1 0 347.842 4.299 20 30 EIEDRO CCOc1cccc(/C=N\C[C@H](c2ccc(CC)cc2)[NH+](C)C)c1O ZINC000920944294 1048817541 /nfs/dbraw/zinc/81/75/41/1048817541.db2.gz AMCWKGPZTCYUEK-HBEGMLAUSA-N 1 0 340.467 4.075 20 30 EIEDRO CC(C)c1ccc(CC[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000920957205 1048820909 /nfs/dbraw/zinc/82/09/09/1048820909.db2.gz PCFACKNRTWQHBU-UHFFFAOYSA-N 1 0 335.495 4.492 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(Sc2ccncc2)CC1 ZINC001171222965 1048857949 /nfs/dbraw/zinc/85/79/49/1048857949.db2.gz KQAFRDDGIRFQSN-INIZCTEOSA-N 1 0 337.492 4.141 20 30 EIEDRO CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001171222085 1048859142 /nfs/dbraw/zinc/85/91/42/1048859142.db2.gz CQJYMCGRLJXPGG-WMZHIEFXSA-N 1 0 347.506 4.086 20 30 EIEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171230711 1048869645 /nfs/dbraw/zinc/86/96/45/1048869645.db2.gz XSDIQXUMSKBWTN-GCJKJVERSA-N 1 0 348.490 4.453 20 30 EIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC2(CC#N)CCC2)c1 ZINC000810858956 1048887179 /nfs/dbraw/zinc/88/71/79/1048887179.db2.gz SNGJNTVUSXDDKI-UHFFFAOYSA-N 1 0 348.446 4.312 20 30 EIEDRO C=CCSCC[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000237187054 1048891619 /nfs/dbraw/zinc/89/16/19/1048891619.db2.gz GZPUEIHMLSOCBM-UHFFFAOYSA-N 1 0 343.492 4.380 20 30 EIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(C)(C)C ZINC001170623458 1048933946 /nfs/dbraw/zinc/93/39/46/1048933946.db2.gz QLRIVMFTNXCWAH-UHFFFAOYSA-N 1 0 344.503 4.151 20 30 EIEDRO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817577822 1049007793 /nfs/dbraw/zinc/00/77/93/1049007793.db2.gz DOUAQKBEDPPTFI-ZDUSSCGKSA-N 1 0 332.806 4.102 20 30 EIEDRO N#CC1(Nc2ccc3[nH]ccc3c2F)CC[NH+](Cc2ccccc2)CC1 ZINC001171276863 1049016447 /nfs/dbraw/zinc/01/64/47/1049016447.db2.gz FHLYROYMVHKRMX-UHFFFAOYSA-N 1 0 348.425 4.277 20 30 EIEDRO Cc1ccc2[nH]ccc2c1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277197 1049021794 /nfs/dbraw/zinc/02/17/94/1049021794.db2.gz MWVVMZDURYPISK-UHFFFAOYSA-N 1 0 344.462 4.447 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)cc1 ZINC000817955427 1049067141 /nfs/dbraw/zinc/06/71/41/1049067141.db2.gz ALHGSFADTCVJPO-HNNXBMFYSA-N 1 0 330.859 4.293 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000175058986 1049074325 /nfs/dbraw/zinc/07/43/25/1049074325.db2.gz QBRWEZIQFBIBEN-INIZCTEOSA-N 1 0 338.407 4.156 20 30 EIEDRO C=CCCC1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCCC1 ZINC001147172125 1049094709 /nfs/dbraw/zinc/09/47/09/1049094709.db2.gz IMNPFCNNAFDRQJ-LJQANCHMSA-N 1 0 332.532 4.426 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC001147172375 1049095065 /nfs/dbraw/zinc/09/50/65/1049095065.db2.gz QBIOXVITZCNSSB-AZUAARDMSA-N 1 0 328.500 4.393 20 30 EIEDRO COc1ccc(Cl)c2c1C[C@H]([NH2+]C13CCC(C#N)(CC1)CC3)CC2 ZINC001171298558 1049097511 /nfs/dbraw/zinc/09/75/11/1049097511.db2.gz LROHFHLIHWOJCP-WPUWVODUSA-N 1 0 344.886 4.412 20 30 EIEDRO CC(C)n1cncc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000818192098 1049105793 /nfs/dbraw/zinc/10/57/93/1049105793.db2.gz NIKRVDQLTFQZMG-UHFFFAOYSA-N 1 0 336.464 4.354 20 30 EIEDRO Cc1ccc([C@@H](O)[C@@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000811505332 1049117330 /nfs/dbraw/zinc/11/73/30/1049117330.db2.gz AXUNAMSASRQSJD-ACJLOTCBSA-N 1 0 348.368 4.097 20 30 EIEDRO N#Cc1c(-c2ccccc2)ccnc1-n1c(CC[NH3+])cc2ccccc21 ZINC001171302153 1049124250 /nfs/dbraw/zinc/12/42/50/1049124250.db2.gz RDOICOGNSUZISI-UHFFFAOYSA-N 1 0 338.414 4.065 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000818346190 1049139066 /nfs/dbraw/zinc/13/90/66/1049139066.db2.gz ALEZPWDHIQYPOJ-LMNJBCLMSA-N 1 0 328.500 4.309 20 30 EIEDRO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC001171307663 1049168850 /nfs/dbraw/zinc/16/88/50/1049168850.db2.gz NPCRKXDLHYMSBU-IAGOWNOFSA-N 1 0 334.504 4.293 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@H]2C(C)C)ccc1OC ZINC000772983915 1049216572 /nfs/dbraw/zinc/21/65/72/1049216572.db2.gz ASWZIVWSNOMVDM-SQNIBIBYSA-N 1 0 330.472 4.290 20 30 EIEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819194920 1049274964 /nfs/dbraw/zinc/27/49/64/1049274964.db2.gz VAFYAUNQHSXMQU-KZULUSFZSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000819252558 1049281068 /nfs/dbraw/zinc/28/10/68/1049281068.db2.gz UEPIPLOWMKFMCN-SCLBCKFNSA-N 1 0 348.368 4.004 20 30 EIEDRO C=C(C)C(C)(C)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000819303278 1049290241 /nfs/dbraw/zinc/29/02/41/1049290241.db2.gz VRDWMAONFOGJKI-UHFFFAOYSA-N 1 0 343.515 4.005 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2C(C)C)c1 ZINC000609767207 1049309710 /nfs/dbraw/zinc/30/97/10/1049309710.db2.gz TTYVZJOSMRQCEY-FQEVSTJZSA-N 1 0 341.499 4.061 20 30 EIEDRO COc1cccc([C@H](C)[NH+]2CCN([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000609823558 1049343871 /nfs/dbraw/zinc/34/38/71/1049343871.db2.gz QHRYNNIMXMZNJB-MSOLQXFVSA-N 1 0 349.478 4.007 20 30 EIEDRO C=C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)c1ccccc1 ZINC001136248587 1049355515 /nfs/dbraw/zinc/35/55/15/1049355515.db2.gz TYHCYAHZAGXOPS-OAQYLSRUSA-N 1 0 336.479 4.113 20 30 EIEDRO COc1cccc(O)c1/C=N\Cc1ccccc1C[NH+]1CCCCC1 ZINC000812404620 1049453617 /nfs/dbraw/zinc/45/36/17/1049453617.db2.gz HQWHNYZYROYDEL-JCMHNJIXSA-N 1 0 338.451 4.006 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(NC(=N)c2cccnc2Cl)cc1 ZINC001171355753 1049504881 /nfs/dbraw/zinc/50/48/81/1049504881.db2.gz DIWULWRFRQYPFB-KRWDZBQOSA-N 1 0 340.858 4.495 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)cc1 ZINC000773013116 1049523113 /nfs/dbraw/zinc/52/31/13/1049523113.db2.gz WUSIORBPTWQSCE-LIRRHRJNSA-N 1 0 349.833 4.341 20 30 EIEDRO C=C(C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)c1ccccc1 ZINC000812719302 1049548311 /nfs/dbraw/zinc/54/83/11/1049548311.db2.gz XGONNHCOVAKPOE-APWZRJJASA-N 1 0 344.499 4.325 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)Nc1ccccc1Cn1cc[nH+]c1N ZINC001171376384 1049556053 /nfs/dbraw/zinc/55/60/53/1049556053.db2.gz VMLNFYMZMJXKDI-INIZCTEOSA-N 1 0 348.450 4.252 20 30 EIEDRO CC(C)c1nccnc1N=NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000773071947 1049567073 /nfs/dbraw/zinc/56/70/73/1049567073.db2.gz FJCMJYPSCAWQGM-DOTOQJQBSA-N 1 0 329.492 4.042 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)cc1C#N ZINC000773073776 1049568238 /nfs/dbraw/zinc/56/82/38/1049568238.db2.gz FOSBBBKUXIXFPU-CYBMUJFWSA-N 1 0 346.377 4.328 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)Sc3sccc32)cc1C#N ZINC000773083815 1049569431 /nfs/dbraw/zinc/56/94/31/1049569431.db2.gz OHNVKLSWTHLINL-XHDPSFHLSA-N 1 0 330.478 4.344 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCOc3c(C)cc(C)cc32)cc1C#N ZINC000773079298 1049570206 /nfs/dbraw/zinc/57/02/06/1049570206.db2.gz YLJALPZWLMCJGT-LJQANCHMSA-N 1 0 336.435 4.187 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cc3c(s2)CCCC3)cc1C#N ZINC000773081664 1049571653 /nfs/dbraw/zinc/57/16/53/1049571653.db2.gz FRHJEFISKTWCCB-ZDUSSCGKSA-N 1 0 326.465 4.358 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cc3c(s2)CCCC3)cc1C#N ZINC000773081663 1049571754 /nfs/dbraw/zinc/57/17/54/1049571754.db2.gz FRHJEFISKTWCCB-CYBMUJFWSA-N 1 0 326.465 4.358 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)c1cc(OC)c(OC)cc1F)c1ccccc1 ZINC000773106122 1049584343 /nfs/dbraw/zinc/58/43/43/1049584343.db2.gz KFQNHKOELOOTNR-KDOFPFPSSA-N 1 0 327.399 4.258 20 30 EIEDRO C#CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000773115690 1049585463 /nfs/dbraw/zinc/58/54/63/1049585463.db2.gz OENTVBMBRDTOCX-PMOQBDJRSA-N 1 0 332.491 4.394 20 30 EIEDRO C#CC[C@H]([NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c1ccccc1 ZINC000773106176 1049585710 /nfs/dbraw/zinc/58/57/10/1049585710.db2.gz KNMOAADIHBAMIW-NUJGCVRESA-N 1 0 330.472 4.032 20 30 EIEDRO C=C[C@H](CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001136405704 1049586990 /nfs/dbraw/zinc/58/69/90/1049586990.db2.gz WPWMYQGBQYRLGL-CEXWTWQISA-N 1 0 342.527 4.219 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC)c1ccccc1 ZINC000773115733 1049587012 /nfs/dbraw/zinc/58/70/12/1049587012.db2.gz OMVSWHFRQFDYAV-FOIQADDNSA-N 1 0 336.435 4.069 20 30 EIEDRO C=C[C@H](CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001136405705 1049587699 /nfs/dbraw/zinc/58/76/99/1049587699.db2.gz WPWMYQGBQYRLGL-GBESFXJTSA-N 1 0 342.527 4.219 20 30 EIEDRO CC[N@H+](CC#Cc1ccccc1Cl)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847703 1049611346 /nfs/dbraw/zinc/61/13/46/1049611346.db2.gz FTGWHQDMVNFFFL-OXJNMPFZSA-N 1 0 327.855 4.136 20 30 EIEDRO C[C@@H](C#N)OCC[NH+]1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000812890742 1049619937 /nfs/dbraw/zinc/61/99/37/1049619937.db2.gz WTVHDIFMXAYIGQ-LBPRGKRZSA-N 1 0 327.255 4.101 20 30 EIEDRO Cc1ccc(CSCC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000237697867 1049715074 /nfs/dbraw/zinc/71/50/74/1049715074.db2.gz RHNKNLDNSPNNKN-KRWDZBQOSA-N 1 0 340.492 4.309 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NCCOc2ccc(C#N)cc2)c1F ZINC001171483949 1049716727 /nfs/dbraw/zinc/71/67/27/1049716727.db2.gz CSQHUCAWYWTSDU-UHFFFAOYSA-N 1 0 341.430 4.030 20 30 EIEDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1 ZINC000179727585 1049732863 /nfs/dbraw/zinc/73/28/63/1049732863.db2.gz IXYXARYCQVHKHQ-QKKBWIMNSA-N 1 0 334.419 4.131 20 30 EIEDRO N#CC12CCC([NH2+][C@@H]3CCc4cc(F)c(F)c(F)c4C3)(CC1)CC2 ZINC001171512136 1049742493 /nfs/dbraw/zinc/74/24/93/1049742493.db2.gz NDSCZNGMLNDEFA-XYJCDUHRSA-N 1 0 334.385 4.167 20 30 EIEDRO C#CCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171592861 1049752737 /nfs/dbraw/zinc/75/27/37/1049752737.db2.gz GLOZQYSLASHLHO-IRXDYDNUSA-N 1 0 336.520 4.194 20 30 EIEDRO CCCC1(C[NH2+]CC2(C#N)CCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822489721 1049762854 /nfs/dbraw/zinc/76/28/54/1049762854.db2.gz IOMILEAMKUQXAM-UHFFFAOYSA-N 1 0 349.519 4.087 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)c1 ZINC001136596609 1049772628 /nfs/dbraw/zinc/77/26/28/1049772628.db2.gz NBRZWKGWAVBKSL-HXUWFJFHSA-N 1 0 342.483 4.377 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000237821677 1049776603 /nfs/dbraw/zinc/77/66/03/1049776603.db2.gz KSWKMJHDRLVHHC-UHFFFAOYSA-N 1 0 333.435 4.183 20 30 EIEDRO CCCC[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCc2ncsc2C1 ZINC001171724592 1049785325 /nfs/dbraw/zinc/78/53/25/1049785325.db2.gz WLDXCSSTYGKCBG-GOSISDBHSA-N 1 0 342.483 4.293 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1F ZINC001171827388 1049802675 /nfs/dbraw/zinc/80/26/75/1049802675.db2.gz OAPPSWKBQQSCOF-IFXJQAMLSA-N 1 0 339.414 4.011 20 30 EIEDRO C=CCC1(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CCCCC1 ZINC001133882583 1049808630 /nfs/dbraw/zinc/80/86/30/1049808630.db2.gz LOHUCIHCGUHCAI-UHFFFAOYSA-N 1 0 332.532 4.426 20 30 EIEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001171875308 1049810348 /nfs/dbraw/zinc/81/03/48/1049810348.db2.gz FSPBWZSJGUNQIW-QZTJIDSGSA-N 1 0 348.462 4.084 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C12CCC(CC1)C2(C)C)C(C)C ZINC001136650139 1049811455 /nfs/dbraw/zinc/81/14/55/1049811455.db2.gz QKZJGTMUEMZFCE-WBTXTPOCSA-N 1 0 332.532 4.018 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC001171846757 1049812802 /nfs/dbraw/zinc/81/28/02/1049812802.db2.gz DOSAOQCLZPPOPA-GFCCVEGCSA-N 1 0 335.245 4.378 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)c1 ZINC000813782821 1049815498 /nfs/dbraw/zinc/81/54/98/1049815498.db2.gz HRKLWHVEDGQYGN-UXHICEINSA-N 1 0 334.444 4.184 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC001171921785 1049827987 /nfs/dbraw/zinc/82/79/87/1049827987.db2.gz XHXOHBLUKVQDLS-CMPLNLGQSA-N 1 0 335.801 4.317 20 30 EIEDRO C#CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172047792 1049842792 /nfs/dbraw/zinc/84/27/92/1049842792.db2.gz BXKNYNTVJSGWBJ-QGZVFWFLSA-N 1 0 334.504 4.092 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172048269 1049843429 /nfs/dbraw/zinc/84/34/29/1049843429.db2.gz GNQRBQWTGSEALJ-YLJYHZDGSA-N 1 0 348.531 4.480 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180202590 1049861149 /nfs/dbraw/zinc/86/11/49/1049861149.db2.gz HUYAGBIXLVAWSS-IEBWSBKVSA-N 1 0 335.451 4.054 20 30 EIEDRO C=CCCC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001136755519 1049865399 /nfs/dbraw/zinc/86/53/99/1049865399.db2.gz YWYQLEPDJKGWML-VQTJNVASSA-N 1 0 328.500 4.117 20 30 EIEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171022988 1049867292 /nfs/dbraw/zinc/86/72/92/1049867292.db2.gz RGVWLONVABWVCE-QGZVFWFLSA-N 1 0 349.865 4.398 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1c2ccccc2c2c1CC[C@H]([NH3+])C2 ZINC001172301431 1049872936 /nfs/dbraw/zinc/87/29/36/1049872936.db2.gz OIRJGRFYMRPQME-YJBOKZPZSA-N 1 0 329.447 4.133 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CCO)c1cccc2ccccc21 ZINC001172301676 1049873290 /nfs/dbraw/zinc/87/32/90/1049873290.db2.gz UGTHGQRUYVPTJG-GAJHUEQPSA-N 1 0 344.458 4.356 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(-c2nccs2)cc1 ZINC001172301973 1049873348 /nfs/dbraw/zinc/87/33/48/1049873348.db2.gz ZLHVIXUQLSOBLM-HNNXBMFYSA-N 1 0 333.460 4.403 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)ccc1Br ZINC001172303104 1049873645 /nfs/dbraw/zinc/87/36/45/1049873645.db2.gz VMOODZXWRLRGMS-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC001172305131 1049873900 /nfs/dbraw/zinc/87/39/00/1049873900.db2.gz QRNMRGICVZYLIO-XCLFUZPHSA-N 1 0 326.390 4.435 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001172309386 1049874746 /nfs/dbraw/zinc/87/47/46/1049874746.db2.gz SNDTTXJDVAUFJZ-HAFPXEGZSA-N 1 0 338.495 4.016 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001172307361 1049874819 /nfs/dbraw/zinc/87/48/19/1049874819.db2.gz OKULGHFLNFKGGS-GOSISDBHSA-N 1 0 333.479 4.221 20 30 EIEDRO COC1(c2ccccc2)CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172310906 1049875663 /nfs/dbraw/zinc/87/56/63/1049875663.db2.gz LLKKRGFLFMTOFL-GOSISDBHSA-N 1 0 334.463 4.127 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC001172311878 1049875924 /nfs/dbraw/zinc/87/59/24/1049875924.db2.gz ZYTCLMMRTWCMBF-SFHVURJKSA-N 1 0 346.474 4.349 20 30 EIEDRO COc1cccc(C[C@H]2CCC[N@@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172312875 1049875970 /nfs/dbraw/zinc/87/59/70/1049875970.db2.gz KZJJNGAPSHZFAH-XMSQKQJNSA-N 1 0 348.490 4.453 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001172289879 1049880873 /nfs/dbraw/zinc/88/08/73/1049880873.db2.gz JMCMSCNBFFBQOI-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCc1cncc(C(F)(F)F)c1 ZINC001172290642 1049880910 /nfs/dbraw/zinc/88/09/10/1049880910.db2.gz DTBVRYISOXAPOP-AWEZNQCLSA-N 1 0 347.384 4.125 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccccc1Br ZINC001172290146 1049881038 /nfs/dbraw/zinc/88/10/38/1049881038.db2.gz MQYRJYNCRLMGLE-AWEZNQCLSA-N 1 0 343.268 4.084 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(Br)cs1 ZINC001172290973 1049881108 /nfs/dbraw/zinc/88/11/08/1049881108.db2.gz HBQIHBJBMKNVLG-NSHDSACASA-N 1 0 335.270 4.103 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC[C@@H]1CCc2ccc3c(c21)CCO3 ZINC001172299147 1049882942 /nfs/dbraw/zinc/88/29/42/1049882942.db2.gz FXFIWVRPZQFGMQ-JXFKEZNVSA-N 1 0 346.474 4.134 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)c2)s1 ZINC000823904394 1049884188 /nfs/dbraw/zinc/88/41/88/1049884188.db2.gz DDAPQMNNFWDQJW-QGZVFWFLSA-N 1 0 338.476 4.478 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+][C@H]3CCOC4(CCC4)C3)c2)s1 ZINC000823904391 1049884282 /nfs/dbraw/zinc/88/42/82/1049884282.db2.gz DDAPQMNNFWDQJW-KRWDZBQOSA-N 1 0 338.476 4.478 20 30 EIEDRO C#CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](c2ccccc2)C1 ZINC000823949187 1049886977 /nfs/dbraw/zinc/88/69/77/1049886977.db2.gz CGSNTXXJGCAMLK-MOPGFXCFSA-N 1 0 342.483 4.130 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001172356514 1049894432 /nfs/dbraw/zinc/89/44/32/1049894432.db2.gz WJGMBKNFPIRYSK-OTWHNJEPSA-N 1 0 346.515 4.423 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccc2c(c1)N(C)C(=O)CO2 ZINC001172359338 1049895056 /nfs/dbraw/zinc/89/50/56/1049895056.db2.gz VVKVJANKTYUTJK-KRWDZBQOSA-N 1 0 332.488 4.271 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]Cc1c(F)c(F)cc(Br)c1F ZINC001172475796 1049908380 /nfs/dbraw/zinc/90/83/80/1049908380.db2.gz BVJLEHABBGNLTO-MRVPVSSYSA-N 1 0 335.167 4.038 20 30 EIEDRO CC(C)COCC[C@@H](C)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001172475650 1049908583 /nfs/dbraw/zinc/90/85/83/1049908583.db2.gz LUDAGOCYMNKTDX-GOSISDBHSA-N 1 0 328.500 4.264 20 30 EIEDRO COc1ccc([C@H](C[NH2+][C@H](C)CCCC#N)C2(O)CCCCC2)cc1 ZINC001172483071 1049910245 /nfs/dbraw/zinc/91/02/45/1049910245.db2.gz MVZYLRCXMFTBAW-XLIONFOSSA-N 1 0 344.499 4.146 20 30 EIEDRO C/C=C1\[C@H]2C=C(C)C[C@]1([NH2+][C@@H](C)CCCC#N)c1ccc(=O)[nH]c1C2 ZINC001172485855 1049910769 /nfs/dbraw/zinc/91/07/69/1049910769.db2.gz UPZLCKCSXWNZCU-LTPDWPBUSA-N 1 0 337.467 4.123 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCOc2ccc(OC(F)(F)F)cc21 ZINC001172487455 1049911562 /nfs/dbraw/zinc/91/15/62/1049911562.db2.gz BGYVOSONXYPYAO-BXUZGUMPSA-N 1 0 328.334 4.081 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)c(Br)c1 ZINC000037748929 1049913696 /nfs/dbraw/zinc/91/36/96/1049913696.db2.gz NCJBXDMVXUCMKT-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(Cl)c2)CC1 ZINC001172487732 1049920481 /nfs/dbraw/zinc/92/04/81/1049920481.db2.gz MZLVOTDWAKREGZ-WBAXXEDZSA-N 1 0 347.890 4.053 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC001172489141 1049920684 /nfs/dbraw/zinc/92/06/84/1049920684.db2.gz ZXHYWMFIYLDMBQ-AWEZNQCLSA-N 1 0 340.389 4.383 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)Nc1ccc2ccccc2c1 ZINC001172490601 1049920956 /nfs/dbraw/zinc/92/09/56/1049920956.db2.gz IMYZDQINZGWJOJ-JXFKEZNVSA-N 1 0 337.467 4.475 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@]2(CCCCN2C(=O)OC(C)(C)C)C1 ZINC001172494961 1049921680 /nfs/dbraw/zinc/92/16/80/1049921680.db2.gz AFMDPHUYGXJIBI-YLJYHZDGSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001172494342 1049922045 /nfs/dbraw/zinc/92/20/45/1049922045.db2.gz ZEGKACZXIFXHGA-HNNXBMFYSA-N 1 0 331.460 4.248 20 30 EIEDRO CC(C)C[C@@H](C(=O)OCc1ccccc1)[N@H+](C)[C@H](C)CCCC#N ZINC001172497529 1049922172 /nfs/dbraw/zinc/92/21/72/1049922172.db2.gz CLMAABNSWYRWON-MJGOQNOKSA-N 1 0 330.472 4.159 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001172495739 1049922216 /nfs/dbraw/zinc/92/22/16/1049922216.db2.gz HHGLFTPCFDPCTF-QGZVFWFLSA-N 1 0 349.519 4.182 20 30 EIEDRO COc1ccc(CN2CCCC[C@H]2C[N@H+](C)[C@H](C)CCCC#N)cc1 ZINC001172498360 1049922984 /nfs/dbraw/zinc/92/29/84/1049922984.db2.gz MCEYKAPWRPKMFS-QUCCMNQESA-N 1 0 343.515 4.064 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCN(c2ccc(C(F)(F)F)cc2F)CC1 ZINC001172498590 1049923371 /nfs/dbraw/zinc/92/33/71/1049923371.db2.gz OUCUGNYSNCXINZ-CYBMUJFWSA-N 1 0 343.368 4.049 20 30 EIEDRO CCCCCCCC[C@H](CC)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001172503772 1049924174 /nfs/dbraw/zinc/92/41/74/1049924174.db2.gz ASJCFAMLVIFXFR-UXHICEINSA-N 1 0 348.579 4.406 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001172504409 1049924634 /nfs/dbraw/zinc/92/46/34/1049924634.db2.gz YMVNQPLRBOLYLE-WOJBJXKFSA-N 1 0 345.531 4.415 20 30 EIEDRO CCOC(=O)[C@@H]1CCC[C@H](c2ccccc2)[N@@H+]1[C@@H](C)CCCC#N ZINC001172510068 1049925396 /nfs/dbraw/zinc/92/53/96/1049925396.db2.gz VATKTQUIENCLIV-UHOSZYNNSA-N 1 0 328.456 4.228 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001172510273 1049925998 /nfs/dbraw/zinc/92/59/98/1049925998.db2.gz YTUUZATXRSYIDK-AWEZNQCLSA-N 1 0 328.847 4.101 20 30 EIEDRO CCOC(=O)[C@@H]1CCC[C@@H](c2ccccc2)[N@@H+]1[C@@H](C)CCCC#N ZINC001172510069 1049926112 /nfs/dbraw/zinc/92/61/12/1049926112.db2.gz VATKTQUIENCLIV-WDSOQIARSA-N 1 0 328.456 4.228 20 30 EIEDRO C#CCCC1(CC[NH2+][C@H](C)CCc2c(F)cc(Cl)cc2F)N=N1 ZINC001172570040 1049939513 /nfs/dbraw/zinc/93/95/13/1049939513.db2.gz GZUYMVIXKXHNAI-GFCCVEGCSA-N 1 0 339.817 4.495 20 30 EIEDRO CC1(C)CC([N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC(C)(C)O1 ZINC001172658992 1049958110 /nfs/dbraw/zinc/95/81/10/1049958110.db2.gz KDPJQDZAOOHJAK-GOSISDBHSA-N 1 0 342.483 4.138 20 30 EIEDRO CC1(C)CC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC(C)(C)O1 ZINC001172658073 1049958673 /nfs/dbraw/zinc/95/86/73/1049958673.db2.gz JGIYUMVWDTVHON-UHFFFAOYSA-N 1 0 326.484 4.474 20 30 EIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172729079 1049968486 /nfs/dbraw/zinc/96/84/86/1049968486.db2.gz PAERWZDUDXNIMQ-FPOVZHCZSA-N 1 0 333.516 4.316 20 30 EIEDRO CCCCCCCOc1ccc(-c2noc([C@@H]3C[NH2+]C[C@H]3C)n2)cc1 ZINC001212326954 1050061501 /nfs/dbraw/zinc/06/15/01/1050061501.db2.gz CGSMRLJRNYJPCB-CRAIPNDOSA-N 1 0 343.471 4.409 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(OCC#N)cc1 ZINC000249303848 1050097099 /nfs/dbraw/zinc/09/70/99/1050097099.db2.gz IDCLREXKVOGTSN-CFVMTHIKSA-N 1 0 326.362 4.361 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccsc1 ZINC000181491028 1050148621 /nfs/dbraw/zinc/14/86/21/1050148621.db2.gz SGKYPPKZNHSJON-KXBFYZLASA-N 1 0 327.497 4.353 20 30 EIEDRO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001172848339 1050185933 /nfs/dbraw/zinc/18/59/33/1050185933.db2.gz UKURLDDXODIICN-ZDUSSCGKSA-N 1 0 328.818 4.340 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(C#N)c1 ZINC001172902148 1050204560 /nfs/dbraw/zinc/20/45/60/1050204560.db2.gz VZUKAMNHEQJAHP-IFXJQAMLSA-N 1 0 335.407 4.065 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCOc3cccc(Cl)c3)cc2)CC1 ZINC001177411904 1050208532 /nfs/dbraw/zinc/20/85/32/1050208532.db2.gz VJJBKJLFMTXBPH-UHFFFAOYSA-N 1 0 326.827 4.064 20 30 EIEDRO CCCCOc1ncccc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181581187 1050219860 /nfs/dbraw/zinc/21/98/60/1050219860.db2.gz ILYOUZXCDAHTDU-MRXNPFEDSA-N 1 0 339.439 4.014 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3cc(Cl)cnc3C#N)cc2)CC1 ZINC001212690243 1050232025 /nfs/dbraw/zinc/23/20/25/1050232025.db2.gz ZNFODQUCIDTAIQ-UHFFFAOYSA-N 1 0 326.831 4.159 20 30 EIEDRO CO[C@H]1CCC[C@@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001172941545 1050243147 /nfs/dbraw/zinc/24/31/47/1050243147.db2.gz FUYDVUJQQALSME-WBVHZDCISA-N 1 0 348.874 4.012 20 30 EIEDRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972826 1050250797 /nfs/dbraw/zinc/25/07/97/1050250797.db2.gz BZNLOELUDDZWII-ULQDDVLXSA-N 1 0 337.508 4.082 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C1CCCCC1 ZINC001172978223 1050250887 /nfs/dbraw/zinc/25/08/87/1050250887.db2.gz JOEYQEHZGVMSQY-SQNIBIBYSA-N 1 0 349.519 4.227 20 30 EIEDRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172972827 1050251642 /nfs/dbraw/zinc/25/16/42/1050251642.db2.gz BZNLOELUDDZWII-ZACQAIPSSA-N 1 0 337.508 4.082 20 30 EIEDRO CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172985306 1050254059 /nfs/dbraw/zinc/25/40/59/1050254059.db2.gz QJQWLBJMZRJXRY-IRXDYDNUSA-N 1 0 337.508 4.180 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1(c2ccccc2C)CC1 ZINC001177604063 1050263621 /nfs/dbraw/zinc/26/36/21/1050263621.db2.gz GOVHHJCZWSDYFU-UHFFFAOYSA-N 1 0 339.866 4.482 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000774995671 1050279006 /nfs/dbraw/zinc/27/90/06/1050279006.db2.gz XAARSDPDIYFSFG-UHFFFAOYSA-N 1 0 333.204 4.058 20 30 EIEDRO C=CCc1cc(C[N@H+](CCC(F)(F)F)CC2CC2)cc(OC)c1O ZINC000091901550 1050288907 /nfs/dbraw/zinc/28/89/07/1050288907.db2.gz BZHXQRDIMBHSKB-UHFFFAOYSA-N 1 0 343.389 4.294 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC001177791355 1050300776 /nfs/dbraw/zinc/30/07/76/1050300776.db2.gz VVTYVWWHWMEUFK-RBUKOAKNSA-N 1 0 334.548 4.135 20 30 EIEDRO CC(C)(C)[PH+](CCCNC(=O)C#Cc1ccccn1)C(C)(C)C ZINC001177807508 1050307817 /nfs/dbraw/zinc/30/78/17/1050307817.db2.gz RXSZYKMYZXOVDL-UHFFFAOYSA-N 1 0 332.428 4.018 20 30 EIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001177833585 1050309660 /nfs/dbraw/zinc/30/96/60/1050309660.db2.gz AVCBTHYGMGVCNW-GOSISDBHSA-N 1 0 341.543 4.478 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)cc1 ZINC001177893410 1050321855 /nfs/dbraw/zinc/32/18/55/1050321855.db2.gz HQTKJMWYHSVSTF-FQEVSTJZSA-N 1 0 333.479 4.246 20 30 EIEDRO Cc1cccc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1C ZINC000181757044 1050325575 /nfs/dbraw/zinc/32/55/75/1050325575.db2.gz VPTSDICQNFSGAD-IBGZPJMESA-N 1 0 347.506 4.490 20 30 EIEDRO Cc1ccc([C@@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181778891 1050328909 /nfs/dbraw/zinc/32/89/09/1050328909.db2.gz WXPSOJAESVVZDW-IBGZPJMESA-N 1 0 347.506 4.224 20 30 EIEDRO CO[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000618305221 1050334719 /nfs/dbraw/zinc/33/47/19/1050334719.db2.gz IYZZJGGECDXOFB-QFIPXVFZSA-N 1 0 348.490 4.387 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC001177928240 1050336087 /nfs/dbraw/zinc/33/60/87/1050336087.db2.gz DXLJYRBLMLBMCE-INIZCTEOSA-N 1 0 343.854 4.299 20 30 EIEDRO CC[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181796123 1050336128 /nfs/dbraw/zinc/33/61/28/1050336128.db2.gz YSWVORDQJXYQLR-UWJYYQICSA-N 1 0 325.500 4.081 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1(C)C ZINC000618327849 1050343934 /nfs/dbraw/zinc/34/39/34/1050343934.db2.gz ODJLRJGJPLFYOK-MRXNPFEDSA-N 1 0 329.400 4.303 20 30 EIEDRO N#Cc1ccc2c(c1)CC[N@H+](C1CCC(Oc3ccccc3)CC1)C2 ZINC001173199952 1050344382 /nfs/dbraw/zinc/34/43/82/1050344382.db2.gz LCSVJKSXAOWJGR-UHFFFAOYSA-N 1 0 332.447 4.307 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1ccc(OCC#N)cc1 ZINC000181837665 1050347176 /nfs/dbraw/zinc/34/71/76/1050347176.db2.gz KGLFYJNEBFMNRC-SJORKVTESA-N 1 0 346.434 4.186 20 30 EIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Oc1ccccc1F ZINC000181858010 1050353127 /nfs/dbraw/zinc/35/31/27/1050353127.db2.gz PDKMSNYCANQILS-WBVHZDCISA-N 1 0 342.414 4.236 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(C#N)c1 ZINC000181866564 1050366841 /nfs/dbraw/zinc/36/68/41/1050366841.db2.gz VXFZWEZDKSJFRB-KDOFPFPSSA-N 1 0 325.843 4.141 20 30 EIEDRO C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[C@@H](CC)C3)CC2)C1 ZINC001173275397 1050393936 /nfs/dbraw/zinc/39/39/36/1050393936.db2.gz VADQQHPRYNNOLB-MSOLQXFVSA-N 1 0 334.504 4.066 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000618492287 1050398207 /nfs/dbraw/zinc/39/82/07/1050398207.db2.gz NQOOACWWDHRNMN-CYBMUJFWSA-N 1 0 336.266 4.448 20 30 EIEDRO CCCCCCCC[C@@H](CCC)[NH2+]Cc1nc(C(=O)OCC)no1 ZINC001173308978 1050404545 /nfs/dbraw/zinc/40/45/45/1050404545.db2.gz DNKIUMOXFMEVLM-OAHLLOKOSA-N 1 0 339.480 4.255 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)c1cccc(C#N)c1 ZINC000181989993 1050412431 /nfs/dbraw/zinc/41/24/31/1050412431.db2.gz SAOMDYOYBUQOQV-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CC=C(c3ccc(OC)cc3)CC2)CC1 ZINC001173322294 1050415873 /nfs/dbraw/zinc/41/58/73/1050415873.db2.gz AOGXQMFGBNJFFE-UHFFFAOYSA-N 1 0 327.468 4.298 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@@H](C[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173324544 1050417749 /nfs/dbraw/zinc/41/77/49/1050417749.db2.gz PKOHCKSCDYBPST-ADKAHSJRSA-N 1 0 349.519 4.086 20 30 EIEDRO C=CCOC1CCC([NH+]2CCN([C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC001173325415 1050417809 /nfs/dbraw/zinc/41/78/09/1050417809.db2.gz MCMRQXPSZIONDI-RPCJCACASA-N 1 0 346.490 4.018 20 30 EIEDRO N#CCC1CCC([NH2+][C@H]2CCOc3ccc(Br)cc32)CC1 ZINC001173326312 1050418415 /nfs/dbraw/zinc/41/84/15/1050418415.db2.gz XEVTWCGWQWTOMB-PXCJXSSVSA-N 1 0 349.272 4.335 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCSC[C@H]2c2ccc(F)cc2)CC1 ZINC001173327783 1050420543 /nfs/dbraw/zinc/42/05/43/1050420543.db2.gz RREVDYNTAOQWHR-ACBHZAAOSA-N 1 0 335.488 4.429 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC001173327911 1050420732 /nfs/dbraw/zinc/42/07/32/1050420732.db2.gz VNHDCFWKWAMVHK-UHFFFAOYSA-N 1 0 347.474 4.321 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cn(Cc3cccc(Cl)c3)cn2)CC1 ZINC001173332401 1050422467 /nfs/dbraw/zinc/42/24/67/1050422467.db2.gz KHYNRUFQAGSKER-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173332280 1050422771 /nfs/dbraw/zinc/42/27/71/1050422771.db2.gz YRVMTWBZKMPAQP-PBHCIXSXSA-N 1 0 349.519 4.084 20 30 EIEDRO CC(C)[C@@H]1C[N@@H+](C2CCC(CC#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001173335889 1050424729 /nfs/dbraw/zinc/42/47/29/1050424729.db2.gz GEXCXEUHWJMFFD-ABHNRTSZSA-N 1 0 349.519 4.036 20 30 EIEDRO C[N@H+](C1CCC(CC#N)CC1)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001173336817 1050424843 /nfs/dbraw/zinc/42/48/43/1050424843.db2.gz NACSGEYYXCRQRL-UHYCVJNDSA-N 1 0 349.519 4.180 20 30 EIEDRO COC(=O)[C@H]1CC[N@H+](C2CCC(CC#N)CC2)[C@H](c2ccccc2)C1 ZINC001173336751 1050425790 /nfs/dbraw/zinc/42/57/90/1050425790.db2.gz KEUXMBTXKPJPPQ-YSNUMNBNSA-N 1 0 340.467 4.085 20 30 EIEDRO N#CCC1CCC([NH+]2CCC3(CC(=O)c4ccc(F)cc43)CC2)CC1 ZINC001173335112 1050425992 /nfs/dbraw/zinc/42/59/92/1050425992.db2.gz AHIBSPIYZADVHW-UHFFFAOYSA-N 1 0 340.442 4.218 20 30 EIEDRO Cc1cc(C[N@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)ccc1C#N ZINC000618593937 1050429642 /nfs/dbraw/zinc/42/96/42/1050429642.db2.gz ZAAHPHXOKMGIRF-VXKWHMMOSA-N 1 0 334.463 4.466 20 30 EIEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C2)C1=O ZINC001173345604 1050433781 /nfs/dbraw/zinc/43/37/81/1050433781.db2.gz TZTXYEOUJYLZHK-SIKLNZKXSA-N 1 0 344.543 4.380 20 30 EIEDRO CCOC(=O)C1(C#N)CC[NH+]([C@@H]2CCCC3(CCCCC3)C2)CC1 ZINC001173348438 1050436869 /nfs/dbraw/zinc/43/68/69/1050436869.db2.gz IJCYMNMIUKIDTF-QGZVFWFLSA-N 1 0 332.488 4.048 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](Oc3ccccc3C)C2)CC1 ZINC001173320551 1050441384 /nfs/dbraw/zinc/44/13/84/1050441384.db2.gz PNOYPVZJYFCXRB-MHJFOBGBSA-N 1 0 329.484 4.352 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cc(-c3ccccc3F)no2)CC1 ZINC001173317444 1050441471 /nfs/dbraw/zinc/44/14/71/1050441471.db2.gz IYKWPGOPZMGTIN-UHFFFAOYSA-N 1 0 330.403 4.084 20 30 EIEDRO C=CCOC1CCC([NH2+]CC(C)(C)Cc2cccc(OC)c2)CC1 ZINC001173318818 1050441526 /nfs/dbraw/zinc/44/15/26/1050441526.db2.gz NMMZHAYBYJYPCD-UHFFFAOYSA-N 1 0 331.500 4.367 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC001173317899 1050441555 /nfs/dbraw/zinc/44/15/55/1050441555.db2.gz QAVLNGQIQOJTBE-UHFFFAOYSA-N 1 0 342.252 4.192 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)cc(OC)c1O ZINC001178386750 1050451804 /nfs/dbraw/zinc/45/18/04/1050451804.db2.gz KFTRRBNZWCIYFG-OAHLLOKOSA-N 1 0 337.463 4.469 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000324909599 1050470672 /nfs/dbraw/zinc/47/06/72/1050470672.db2.gz XBCKJTNXLCPFJU-CQSZACIVSA-N 1 0 331.362 4.151 20 30 EIEDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccccc1OC ZINC000775083093 1050474228 /nfs/dbraw/zinc/47/42/28/1050474228.db2.gz CZCXJCDYRHSLIX-KRWDZBQOSA-N 1 0 344.842 4.492 20 30 EIEDRO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]Cc1cncc(C#N)c1 ZINC001173553562 1050481392 /nfs/dbraw/zinc/48/13/92/1050481392.db2.gz ZNTYJGANULIDLX-GFCCVEGCSA-N 1 0 334.250 4.371 20 30 EIEDRO C=CC[C@@H]([NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1)c1ccccc1 ZINC001173614269 1050490667 /nfs/dbraw/zinc/49/06/67/1050490667.db2.gz SAJNQEHEBOBJKZ-KYBDOYODSA-N 1 0 327.468 4.405 20 30 EIEDRO CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000182126243 1050496418 /nfs/dbraw/zinc/49/64/18/1050496418.db2.gz SFNIVVDZSVPHPT-LBPRGKRZSA-N 1 0 345.493 4.021 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCc3ncnc(-c4ccccc4)c3CC2)CC1 ZINC001173594943 1050496864 /nfs/dbraw/zinc/49/68/64/1050496864.db2.gz ONRWYEYPWFKHJX-UHFFFAOYSA-N 1 0 346.478 4.017 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC001173592382 1050497173 /nfs/dbraw/zinc/49/71/73/1050497173.db2.gz NJWRCXHVTPYHNG-YZUHTNEWSA-N 1 0 333.273 4.367 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC001173592377 1050497397 /nfs/dbraw/zinc/49/73/97/1050497397.db2.gz NJWRCXHVTPYHNG-JCCCHCCOSA-N 1 0 333.273 4.367 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cn(Cc3ccc(Cl)cc3)cn2)CC1 ZINC001173591928 1050497743 /nfs/dbraw/zinc/49/77/43/1050497743.db2.gz YUEMAXKLWVMYPQ-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO COc1ccc2c(c1)c1c(n2C)CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173599901 1050499805 /nfs/dbraw/zinc/49/98/05/1050499805.db2.gz SETXKCIAUKUHDT-UHFFFAOYSA-N 1 0 337.467 4.017 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1csc(Br)c1 ZINC000618740939 1050499967 /nfs/dbraw/zinc/49/99/67/1050499967.db2.gz AEKOCRHBJFCKKK-CQSZACIVSA-N 1 0 333.254 4.159 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1csc(Br)c1 ZINC000618740935 1050501589 /nfs/dbraw/zinc/50/15/89/1050501589.db2.gz AEKOCRHBJFCKKK-AWEZNQCLSA-N 1 0 333.254 4.159 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(Br)ccc1F ZINC000618742698 1050502133 /nfs/dbraw/zinc/50/21/33/1050502133.db2.gz PNZSJSQBYOZIRK-KRWDZBQOSA-N 1 0 345.215 4.237 20 30 EIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1C ZINC000618802393 1050519519 /nfs/dbraw/zinc/51/95/19/1050519519.db2.gz DNQIFLHQHWFGSD-QVKFZJNVSA-N 1 0 347.462 4.169 20 30 EIEDRO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001173658919 1050519893 /nfs/dbraw/zinc/51/98/93/1050519893.db2.gz SLCMITGOWQSIPY-SJLPKXTDSA-N 1 0 348.874 4.178 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618805301 1050532408 /nfs/dbraw/zinc/53/24/08/1050532408.db2.gz GAIPHZGJGTXYMP-PMACEKPBSA-N 1 0 333.391 4.121 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000618805108 1050532904 /nfs/dbraw/zinc/53/29/04/1050532904.db2.gz CXTYONXIIPFDST-YJYMSZOUSA-N 1 0 345.446 4.126 20 30 EIEDRO CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001173646282 1050533706 /nfs/dbraw/zinc/53/37/06/1050533706.db2.gz YVKOUFBRBOBWOU-IEBWSBKVSA-N 1 0 334.504 4.437 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3ccc4cnccc4c3)CC2)c1 ZINC000618809489 1050537063 /nfs/dbraw/zinc/53/70/63/1050537063.db2.gz YCMJZCHKBJQOPZ-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO C#Cc1cccc(C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)c1 ZINC001178950027 1050593518 /nfs/dbraw/zinc/59/35/18/1050593518.db2.gz JSIXDXQETNHBAN-UHFFFAOYSA-N 1 0 328.415 4.028 20 30 EIEDRO CCCCCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1OC ZINC001178998983 1050607827 /nfs/dbraw/zinc/60/78/27/1050607827.db2.gz WDTAFMTWXOCZTR-FUHWJXTLSA-N 1 0 330.472 4.436 20 30 EIEDRO C=CCc1cc(CN(CCC)c2ccc(C[NH3+])cc2)cc(OC)c1O ZINC000775140982 1050608131 /nfs/dbraw/zinc/60/81/31/1050608131.db2.gz SJCLEQIBUSRBEM-UHFFFAOYSA-N 1 0 340.467 4.005 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)c2cc([N+](=O)[O-])ccc21 ZINC000618984287 1050611552 /nfs/dbraw/zinc/61/15/52/1050611552.db2.gz VJRVJDKRQXLYOM-GOSISDBHSA-N 1 0 339.370 4.118 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000618991244 1050614448 /nfs/dbraw/zinc/61/44/48/1050614448.db2.gz FJNVJJCSVQDCRO-WMZHIEFXSA-N 1 0 345.490 4.442 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC001179053728 1050617143 /nfs/dbraw/zinc/61/71/43/1050617143.db2.gz NQFSOGBAQXRFDJ-LBPRGKRZSA-N 1 0 346.685 4.416 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC001179142434 1050631167 /nfs/dbraw/zinc/63/11/67/1050631167.db2.gz IERSQBAVZPJTOR-BBRMVZONSA-N 1 0 348.288 4.321 20 30 EIEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC001179438384 1050691698 /nfs/dbraw/zinc/69/16/98/1050691698.db2.gz UHWQUOFIHDUQPB-LJQANCHMSA-N 1 0 345.870 4.336 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)C1 ZINC001179525592 1050706452 /nfs/dbraw/zinc/70/64/52/1050706452.db2.gz RDMPBULIUOPAAH-PZJWPPBQSA-N 1 0 335.495 4.423 20 30 EIEDRO C=C1CCC(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC1 ZINC001179541963 1050721964 /nfs/dbraw/zinc/72/19/64/1050721964.db2.gz TYPDJEDIVXGDCF-UHFFFAOYSA-N 1 0 329.875 4.421 20 30 EIEDRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CNCC1(C#N)CCC1 ZINC001179775642 1050767397 /nfs/dbraw/zinc/76/73/97/1050767397.db2.gz AUGMRMHYXKBMSD-UHFFFAOYSA-N 1 0 342.874 4.234 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@]2(CO)CC[C@H](C)c3ccccc32)c1 ZINC001179789016 1050777615 /nfs/dbraw/zinc/77/76/15/1050777615.db2.gz LMGWTAXAQWOEQJ-JTSKRJEESA-N 1 0 337.463 4.126 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@]2(CO)CC[C@@H](C)c3ccccc32)c1 ZINC001179789018 1050777672 /nfs/dbraw/zinc/77/76/72/1050777672.db2.gz LMGWTAXAQWOEQJ-VGSWGCGISA-N 1 0 337.463 4.126 20 30 EIEDRO C=CC[N@@H+](CCC[C@H]1CCO1)Cc1cc(Br)ccc1F ZINC001179858174 1050794591 /nfs/dbraw/zinc/79/45/91/1050794591.db2.gz ALGBXFTYZBIPBO-HNNXBMFYSA-N 1 0 342.252 4.145 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1cccc(F)c1C#N)c1cccc(OC)c1 ZINC000619512723 1050795147 /nfs/dbraw/zinc/79/51/47/1050795147.db2.gz QGIQQBFZAMWYMI-HXUWFJFHSA-N 1 0 341.430 4.201 20 30 EIEDRO CC(C)=CCC[C@@H](C)CC[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000619509075 1050796259 /nfs/dbraw/zinc/79/62/59/1050796259.db2.gz XEJSVZHBQGWBJZ-GOSISDBHSA-N 1 0 340.515 4.284 20 30 EIEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508369 1050797435 /nfs/dbraw/zinc/79/74/35/1050797435.db2.gz JLCTYKBSJDFKCO-URZJWIJPSA-N 1 0 334.463 4.080 20 30 EIEDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000619620247 1050841914 /nfs/dbraw/zinc/84/19/14/1050841914.db2.gz MNAGSGLHQXNCOP-LJQANCHMSA-N 1 0 342.483 4.323 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)ccc1C#N ZINC000619654548 1050847239 /nfs/dbraw/zinc/84/72/39/1050847239.db2.gz ZJESRUZOQMLGKT-IBGZPJMESA-N 1 0 348.446 4.493 20 30 EIEDRO COc1ccc(C([NH2+][C@H]2CC[C@H](C#N)C2)c2ccc(OC)cc2)cc1 ZINC000619672386 1050852116 /nfs/dbraw/zinc/85/21/16/1050852116.db2.gz NPVNQARBWAUHIJ-YJBOKZPZSA-N 1 0 336.435 4.075 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000619724384 1050872300 /nfs/dbraw/zinc/87/23/00/1050872300.db2.gz NJYWXUBXOAAYLM-HXUWFJFHSA-N 1 0 340.854 4.012 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000619755689 1050882703 /nfs/dbraw/zinc/88/27/03/1050882703.db2.gz PJOASWORQWTORA-KRWDZBQOSA-N 1 0 342.826 4.224 20 30 EIEDRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619755519 1050882764 /nfs/dbraw/zinc/88/27/64/1050882764.db2.gz KDNANMARSJQMKO-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754817 1050883749 /nfs/dbraw/zinc/88/37/49/1050883749.db2.gz LFAJCTHVRDEPEM-CQSZACIVSA-N 1 0 341.842 4.027 20 30 EIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755882 1050884517 /nfs/dbraw/zinc/88/45/17/1050884517.db2.gz XLOWKFXNPPUHAU-FOIQADDNSA-N 1 0 345.918 4.344 20 30 EIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619754882 1050884721 /nfs/dbraw/zinc/88/47/21/1050884721.db2.gz NTQLCTCRYMLZBF-GFCCVEGCSA-N 1 0 327.815 4.021 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)COc2cccc(C)c2)cc1OC ZINC000619766589 1050890966 /nfs/dbraw/zinc/89/09/66/1050890966.db2.gz ASVIFTJQJUIAFM-KRWDZBQOSA-N 1 0 341.451 4.126 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1Cl ZINC000619748280 1050894325 /nfs/dbraw/zinc/89/43/25/1050894325.db2.gz GEOJLDQWEBNLDR-UHFFFAOYSA-N 1 0 341.661 4.325 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccccc2OC(F)(F)F)CC1 ZINC000152952662 1050907253 /nfs/dbraw/zinc/90/72/53/1050907253.db2.gz DHBSLJZBLZWDPB-AWEZNQCLSA-N 1 0 342.405 4.276 20 30 EIEDRO Clc1ccc(O[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)cc1Cl ZINC001180225177 1050918906 /nfs/dbraw/zinc/91/89/06/1050918906.db2.gz PCIBXHQZWJGRKV-QGZVFWFLSA-N 1 0 346.257 4.498 20 30 EIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC1CC1 ZINC001180317719 1050950180 /nfs/dbraw/zinc/95/01/80/1050950180.db2.gz MSYKWQMJSPYHRB-UHFFFAOYSA-N 1 0 348.446 4.273 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[N@@H+](C(C)C)[C@@H](C)C2)c1 ZINC001189268579 1050953455 /nfs/dbraw/zinc/95/34/55/1050953455.db2.gz LDHBCINAZJHRDZ-KRWDZBQOSA-N 1 0 343.515 4.079 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(C)c(Br)cn1 ZINC001180279541 1050953850 /nfs/dbraw/zinc/95/38/50/1050953850.db2.gz BMPCJXGEOZJXIF-UHFFFAOYSA-N 1 0 345.284 4.383 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(O[C@@H](C)COC)cc1)[C@@H]1CCc2ccccc21 ZINC001180296816 1050959106 /nfs/dbraw/zinc/95/91/06/1050959106.db2.gz MBZRDBRSXQPKEX-FDDCHVKYSA-N 1 0 349.474 4.223 20 30 EIEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000183248029 1051040622 /nfs/dbraw/zinc/04/06/22/1051040622.db2.gz BVOYCMINJKPRCR-QGZVFWFLSA-N 1 0 341.480 4.244 20 30 EIEDRO C[C@@H](C#N)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)cc1 ZINC001189746799 1051047930 /nfs/dbraw/zinc/04/79/30/1051047930.db2.gz XMBMANAQDMWFDC-HNNXBMFYSA-N 1 0 337.423 4.145 20 30 EIEDRO CC(C)[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001174572959 1051060103 /nfs/dbraw/zinc/06/01/03/1051060103.db2.gz CABOPWGWDZDQBY-WMZHIEFXSA-N 1 0 347.506 4.462 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000620310353 1051100522 /nfs/dbraw/zinc/10/05/22/1051100522.db2.gz MVGPEFUQHUIIJW-BGYRXZFFSA-N 1 0 326.484 4.240 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(N(C)C)cc1 ZINC000775361173 1051128254 /nfs/dbraw/zinc/12/82/54/1051128254.db2.gz AZZGVOKOYHAYIK-KRWDZBQOSA-N 1 0 337.467 4.286 20 30 EIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC001174705597 1051140507 /nfs/dbraw/zinc/14/05/07/1051140507.db2.gz XEGOIAKQFKSEKM-HNNXBMFYSA-N 1 0 333.273 4.333 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000775386857 1051180353 /nfs/dbraw/zinc/18/03/53/1051180353.db2.gz GXPGSGFNVVQOGR-XZOQPEGZSA-N 1 0 342.442 4.412 20 30 EIEDRO CC(C)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)c(C#N)c1 ZINC001174815493 1051182422 /nfs/dbraw/zinc/18/24/22/1051182422.db2.gz PAEPQCIEEJANIP-UHFFFAOYSA-N 1 0 334.467 4.177 20 30 EIEDRO C#CCCCCCC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001190502766 1051195892 /nfs/dbraw/zinc/19/58/92/1051195892.db2.gz DJHKJLADWBDXCC-UHFFFAOYSA-N 1 0 346.902 4.072 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](CC)c1ccccc1 ZINC001190582341 1051224691 /nfs/dbraw/zinc/22/46/91/1051224691.db2.gz WLOGVYWEVNURQO-FQEVSTJZSA-N 1 0 335.451 4.360 20 30 EIEDRO C#CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1 ZINC000775400465 1051228174 /nfs/dbraw/zinc/22/81/74/1051228174.db2.gz JKISGNMTJBPLEQ-KRWDZBQOSA-N 1 0 326.346 4.014 20 30 EIEDRO C=CC[N@H+](CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)C(C)C ZINC001190589834 1051228874 /nfs/dbraw/zinc/22/88/74/1051228874.db2.gz UATQMPXLVVYSOT-UHFFFAOYSA-N 1 0 349.478 4.216 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001174891793 1051232176 /nfs/dbraw/zinc/23/21/76/1051232176.db2.gz WNTHQHQINBFTLM-NSHDSACASA-N 1 0 346.780 4.195 20 30 EIEDRO CC1CC[NH+](C[C@H]2CCCN(CC#Cc3cccc(Cl)c3)C2)CC1 ZINC001190651863 1051244426 /nfs/dbraw/zinc/24/44/26/1051244426.db2.gz RRQPGRFGNNCUTK-FQEVSTJZSA-N 1 0 344.930 4.135 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H](O)c1ccc(Cl)cc1 ZINC001174925676 1051252812 /nfs/dbraw/zinc/25/28/12/1051252812.db2.gz XBVILGLHZYILSY-OALUTQOASA-N 1 0 346.833 4.199 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775414247 1051289514 /nfs/dbraw/zinc/28/95/14/1051289514.db2.gz GKLRSCZVXYZVGU-GOSISDBHSA-N 1 0 341.798 4.287 20 30 EIEDRO CCCOc1cccc(C[NH+]2CCC(Nc3ccccc3C#N)CC2)c1 ZINC001174983149 1051305004 /nfs/dbraw/zinc/30/50/04/1051305004.db2.gz DNOOTMLNRPYDMB-UHFFFAOYSA-N 1 0 349.478 4.424 20 30 EIEDRO CO[C@@H](C[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccc(Cl)cc1 ZINC001175062898 1051314870 /nfs/dbraw/zinc/31/48/70/1051314870.db2.gz VOKDLWZJNATYDF-FQEVSTJZSA-N 1 0 340.854 4.152 20 30 EIEDRO CCCCC[N@H+](C)CCC(=O)Nc1c(C#N)cccc1C(F)(F)F ZINC001181865491 1051331531 /nfs/dbraw/zinc/33/15/31/1051331531.db2.gz VLOPGQPFOBNSTF-UHFFFAOYSA-N 1 0 341.377 4.028 20 30 EIEDRO Clc1ccccc1C#CC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000775437825 1051353615 /nfs/dbraw/zinc/35/36/15/1051353615.db2.gz DPLDZHDDYSFGCW-NRFANRHFSA-N 1 0 339.866 4.449 20 30 EIEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001181999130 1051369193 /nfs/dbraw/zinc/36/91/93/1051369193.db2.gz TYAJCTLQJLZWRJ-HXUWFJFHSA-N 1 0 333.435 4.038 20 30 EIEDRO C#C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Br)cc1 ZINC001182032048 1051377106 /nfs/dbraw/zinc/37/71/06/1051377106.db2.gz LDIOEXNIAZKJBO-AQFXKWCLSA-N 1 0 331.257 4.185 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@H](c2ccccc2)C2CCOCC2)c1 ZINC000775442805 1051384577 /nfs/dbraw/zinc/38/45/77/1051384577.db2.gz UMYDKKRXOIWGAQ-OAQYLSRUSA-N 1 0 339.866 4.449 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)ccc1Cl ZINC001191193194 1051394528 /nfs/dbraw/zinc/39/45/28/1051394528.db2.gz JZBVAVNUKHOTSU-GOEBONIOSA-N 1 0 347.890 4.016 20 30 EIEDRO CC(C)[C@@H](CO)[N@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC001191307080 1051421835 /nfs/dbraw/zinc/42/18/35/1051421835.db2.gz UNNNERTUKFBADB-HXUWFJFHSA-N 1 0 328.500 4.370 20 30 EIEDRO CCCC[N@H+](CC)[C@@H](C(=O)N[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC001182230824 1051430616 /nfs/dbraw/zinc/43/06/16/1051430616.db2.gz FFIRQFUUOBAROG-LEWJYISDSA-N 1 0 349.478 4.231 20 30 EIEDRO CCCC[N@H+](CC)[C@H](C(=O)N[C@@](C)(C#N)CC(C)C)c1ccccc1 ZINC001182234833 1051432692 /nfs/dbraw/zinc/43/26/92/1051432692.db2.gz GPJROZXWYQAHKE-PZJWPPBQSA-N 1 0 343.515 4.294 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000155633780 1051439768 /nfs/dbraw/zinc/43/97/68/1051439768.db2.gz IZWADGLHYZDIMZ-BZSNNMDCSA-N 1 0 343.515 4.194 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(C#N)cc1 ZINC000774195047 1051494971 /nfs/dbraw/zinc/49/49/71/1051494971.db2.gz ZYUFAFYLCYCDNJ-MSOLQXFVSA-N 1 0 345.487 4.148 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC(C)C)cc1)c1ccc(C#N)cc1 ZINC000774199706 1051497763 /nfs/dbraw/zinc/49/77/63/1051497763.db2.gz AWECLSZMUKVZFX-RTWAWAEBSA-N 1 0 338.451 4.120 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC001182325968 1051499771 /nfs/dbraw/zinc/49/97/71/1051499771.db2.gz DLMFLJIWVAMZIM-QHCPKHFHSA-N 1 0 334.507 4.428 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H](C)c2cc(C)oc2C)ccc1OC ZINC000774237702 1051513295 /nfs/dbraw/zinc/51/32/95/1051513295.db2.gz POUIUHDMEAOUNO-WMLDXEAASA-N 1 0 342.439 4.437 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cc(C)oc2C)ccc1OC ZINC000774237698 1051514013 /nfs/dbraw/zinc/51/40/13/1051514013.db2.gz POUIUHDMEAOUNO-PBHICJAKSA-N 1 0 342.439 4.437 20 30 EIEDRO C#Cc1cccc(C[NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)c1 ZINC001182371307 1051528971 /nfs/dbraw/zinc/52/89/71/1051528971.db2.gz ZFIMOBRCQIYEOA-UHFFFAOYSA-N 1 0 345.398 4.004 20 30 EIEDRO Cc1cc(C#N)cc(C#N)c1Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175364047 1051552942 /nfs/dbraw/zinc/55/29/42/1051552942.db2.gz UTSOCCNDWJRDLA-UHFFFAOYSA-N 1 0 330.435 4.468 20 30 EIEDRO C[C@H]([NH2+]CCCCOCc1ccccc1)c1ccc(OCC#N)cc1 ZINC000271875979 1051553449 /nfs/dbraw/zinc/55/34/49/1051553449.db2.gz OAVHQEHCXYBWCA-SFHVURJKSA-N 1 0 338.451 4.237 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C[C@@H]2COC(C)(C)O2)C(C)(C)C)cc1 ZINC001192052965 1051625753 /nfs/dbraw/zinc/62/57/53/1051625753.db2.gz RTJUUJMWZNPMAC-GOSISDBHSA-N 1 0 333.472 4.003 20 30 EIEDRO N#Cc1cc(F)c(NC2=CC[N@H+](Cc3ccccc3)CC2)cc1F ZINC001175505468 1051635370 /nfs/dbraw/zinc/63/53/70/1051635370.db2.gz DCUMUGMFDNOWRZ-UHFFFAOYSA-N 1 0 325.362 4.038 20 30 EIEDRO Cc1ccccc1-c1cnc(C[N@H+](C)CCc2cccc(C#N)c2)o1 ZINC001175524753 1051651151 /nfs/dbraw/zinc/65/11/51/1051651151.db2.gz XDYBWHRQBJFUNI-UHFFFAOYSA-N 1 0 331.419 4.196 20 30 EIEDRO C=CC[C@H]1CCC[N@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC001182796038 1051699778 /nfs/dbraw/zinc/69/97/78/1051699778.db2.gz OLZXKCUXXDCXPD-KRWDZBQOSA-N 1 0 338.451 4.160 20 30 EIEDRO C=CCCCCCN(C)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC001182800874 1051702114 /nfs/dbraw/zinc/70/21/14/1051702114.db2.gz VPOQEAZPBHIGOA-HXUWFJFHSA-N 1 0 328.500 4.314 20 30 EIEDRO C#CCC[NH2+][C@H](CNC(=O)OC(C)(C)C)c1ccc2ccccc2c1 ZINC000775529966 1051741310 /nfs/dbraw/zinc/74/13/10/1051741310.db2.gz PCBHIXVEJVXGKP-LJQANCHMSA-N 1 0 338.451 4.019 20 30 EIEDRO CCCC[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC001192556959 1051758842 /nfs/dbraw/zinc/75/88/42/1051758842.db2.gz KBLCEPZSVUMWAP-OAQYLSRUSA-N 1 0 338.451 4.467 20 30 EIEDRO N#Cc1ccc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)s1 ZINC001175800448 1051767038 /nfs/dbraw/zinc/76/70/38/1051767038.db2.gz WECAFWGQUYTRSF-UHFFFAOYSA-N 1 0 327.453 4.228 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1ccc(Cl)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000774565584 1051772602 /nfs/dbraw/zinc/77/26/02/1051772602.db2.gz LLOHTFOVOARKMQ-AUUYWEPGSA-N 1 0 328.843 4.328 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3ccc(C#N)c(Cl)c3)cc2)CC1 ZINC001175781525 1051784019 /nfs/dbraw/zinc/78/40/19/1051784019.db2.gz HFZHFRHETHWOPA-UHFFFAOYSA-N 1 0 340.858 4.097 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000775542127 1051790374 /nfs/dbraw/zinc/79/03/74/1051790374.db2.gz ICQCGNUBHJMPKN-IBGZPJMESA-N 1 0 330.378 4.354 20 30 EIEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC001183257086 1051818036 /nfs/dbraw/zinc/81/80/36/1051818036.db2.gz VJGXHORCJDHZPA-CABCVRRESA-N 1 0 331.447 4.326 20 30 EIEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)C(=O)OCC)C1 ZINC001183257094 1051818639 /nfs/dbraw/zinc/81/86/39/1051818639.db2.gz VJGXHORCJDHZPA-LSDHHAIUSA-N 1 0 331.447 4.326 20 30 EIEDRO C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000072556506 1051828069 /nfs/dbraw/zinc/82/80/69/1051828069.db2.gz XRARXFBWVZZDCA-LBPRGKRZSA-N 1 0 338.798 4.112 20 30 EIEDRO C[C@@H]1CCC[C@@H](C2C[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)C1 ZINC001183443835 1051844411 /nfs/dbraw/zinc/84/44/11/1051844411.db2.gz JXLXXHLDAONQRU-VQIMIIECSA-N 1 0 348.494 4.217 20 30 EIEDRO C[C@H]1CCC[C@@H](C2C[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)C1 ZINC001183443833 1051844912 /nfs/dbraw/zinc/84/49/12/1051844912.db2.gz JXLXXHLDAONQRU-QFBILLFUSA-N 1 0 348.494 4.217 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)CCCC2 ZINC001183524971 1051851951 /nfs/dbraw/zinc/85/19/51/1051851951.db2.gz AAARGYQFPMOVPE-YOEHRIQHSA-N 1 0 330.472 4.389 20 30 EIEDRO C=CCCC[C@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)c1ccccc1 ZINC001183549424 1051862850 /nfs/dbraw/zinc/86/28/50/1051862850.db2.gz CEBDKJAZSSTBPT-IBGZPJMESA-N 1 0 347.524 4.031 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C)[C@H]1CCCO1 ZINC000775573081 1051874184 /nfs/dbraw/zinc/87/41/84/1051874184.db2.gz FVWRVGIMAIZQJX-OAUYIBNBSA-N 1 0 344.455 4.089 20 30 EIEDRO CC[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CCN1Cc1ccccc1 ZINC001193209358 1051885394 /nfs/dbraw/zinc/88/53/94/1051885394.db2.gz FXBSNBKLEURSAV-OAQYLSRUSA-N 1 0 339.527 4.447 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC001193239705 1051890197 /nfs/dbraw/zinc/89/01/97/1051890197.db2.gz RNSOWZJMKPVOSF-PMACEKPBSA-N 1 0 348.471 4.227 20 30 EIEDRO CSc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc3C2)cc1C#N ZINC001183798299 1051899162 /nfs/dbraw/zinc/89/91/62/1051899162.db2.gz BYUYBNIRIXSNDM-KSSFIOAISA-N 1 0 338.476 4.010 20 30 EIEDRO C[NH+](C)Cc1ccc(NCC#Cc2ccccc2)cc1C(F)(F)F ZINC001183788305 1051899585 /nfs/dbraw/zinc/89/95/85/1051899585.db2.gz LYXXAHOXKNBWKV-UHFFFAOYSA-N 1 0 332.369 4.231 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2nccnc2C)C(C)(C)C)cc1 ZINC000621710247 1051913531 /nfs/dbraw/zinc/91/35/31/1051913531.db2.gz YQDPFARYPHLIDF-UHFFFAOYSA-N 1 0 325.456 4.151 20 30 EIEDRO CC(C)[C@H](C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1)c1ccccc1 ZINC001184044984 1051944644 /nfs/dbraw/zinc/94/46/44/1051944644.db2.gz GTAJJGDUYHNBIX-VXKWHMMOSA-N 1 0 334.463 4.371 20 30 EIEDRO Cc1cc(C#N)c(Nc2ccc(OCC[NH+](C)C)cc2)cc1Cl ZINC001176231544 1051966197 /nfs/dbraw/zinc/96/61/97/1051966197.db2.gz LOMLVYDIOZLFAC-UHFFFAOYSA-N 1 0 329.831 4.204 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+]CCc1cc2ccc(C(=O)OC)cc2o1 ZINC001184265626 1051980089 /nfs/dbraw/zinc/98/00/89/1051980089.db2.gz UCOYBSSPUZGYTE-KRWDZBQOSA-N 1 0 329.440 4.486 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000184472344 1051993093 /nfs/dbraw/zinc/99/30/93/1051993093.db2.gz TWWSRLIPTRFULM-CYBMUJFWSA-N 1 0 329.469 4.042 20 30 EIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2F)nc1 ZINC001193943375 1052044921 /nfs/dbraw/zinc/04/49/21/1052044921.db2.gz VQICKOUVPIOMOJ-GOSISDBHSA-N 1 0 326.415 4.340 20 30 EIEDRO C#CCC1([NH2+]CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)CCCCC1 ZINC001176431216 1052052150 /nfs/dbraw/zinc/05/21/50/1052052150.db2.gz ASMRLOSBTZWZPC-SFHVURJKSA-N 1 0 346.902 4.223 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000774765380 1052060186 /nfs/dbraw/zinc/06/01/86/1052060186.db2.gz LNXFTUFUEZMMHM-HXUWFJFHSA-N 1 0 338.838 4.034 20 30 EIEDRO CC(C)(C)[PH+](CCCNC(=O)c1cncc(C#N)c1)C(C)(C)C ZINC001194121582 1052079022 /nfs/dbraw/zinc/07/90/22/1052079022.db2.gz QUJDSARXBWAQCQ-UHFFFAOYSA-N 1 0 333.416 4.152 20 30 EIEDRO Fc1ccc(C#CC[N@H+]2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC001176475029 1052085963 /nfs/dbraw/zinc/08/59/63/1052085963.db2.gz XJOGMZPQYPCPCJ-UHFFFAOYSA-N 1 0 330.406 4.448 20 30 EIEDRO C[C@]1(c2ccccc2)CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001194262258 1052118816 /nfs/dbraw/zinc/11/88/16/1052118816.db2.gz LPCOALPPVVUOFW-NRFANRHFSA-N 1 0 349.434 4.410 20 30 EIEDRO C[C@H](CNc1c(C#N)cnc2c(Cl)cccc21)C[NH+]1CCCCC1 ZINC001184966453 1052133322 /nfs/dbraw/zinc/13/33/22/1052133322.db2.gz XCKQGEGMKLAKAD-CQSZACIVSA-N 1 0 342.874 4.294 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCO[C@H]2CCCC[C@H]2C)ccc1OC ZINC000622266550 1052169177 /nfs/dbraw/zinc/16/91/77/1052169177.db2.gz AMQUQOUSKUWBPN-MJGOQNOKSA-N 1 0 347.499 4.335 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCOC23CCCCC3)cc1 ZINC001176760639 1052193160 /nfs/dbraw/zinc/19/31/60/1052193160.db2.gz CMCPIJZWKKDZIC-KRWDZBQOSA-N 1 0 337.385 4.138 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001176855716 1052203390 /nfs/dbraw/zinc/20/33/90/1052203390.db2.gz GRYFRVRDXSDYQM-PKOBYXMFSA-N 1 0 326.484 4.126 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001176855713 1052203752 /nfs/dbraw/zinc/20/37/52/1052203752.db2.gz GRYFRVRDXSDYQM-HKUYNNGSSA-N 1 0 326.484 4.126 20 30 EIEDRO C=CC[NH+]1CCC(Nc2nc3c(cc(Cl)cc3F)s2)CC1 ZINC001185313592 1052216001 /nfs/dbraw/zinc/21/60/01/1052216001.db2.gz MTYMVPKVINCFPL-UHFFFAOYSA-N 1 0 325.840 4.151 20 30 EIEDRO CCCC[C@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C1CCC1 ZINC000184883293 1052272463 /nfs/dbraw/zinc/27/24/63/1052272463.db2.gz LDKXKAXDZMCRRW-DYVFJYSZSA-N 1 0 331.460 4.044 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccccn2)cc1OC ZINC000623337034 1052622826 /nfs/dbraw/zinc/62/28/26/1052622826.db2.gz RCSFLRUHAFKRQJ-CYBMUJFWSA-N 1 0 332.831 4.159 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(Br)cc2)CC1 ZINC000177313747 1052676826 /nfs/dbraw/zinc/67/68/26/1052676826.db2.gz VZUJRZKMFCYYEL-CQSZACIVSA-N 1 0 337.305 4.140 20 30 EIEDRO COc1ccc(C[NH2+]CC(C)(C)CCC#N)c(OC2CCCC2)c1 ZINC000177716844 1052681482 /nfs/dbraw/zinc/68/14/82/1052681482.db2.gz CSTQUICTVNZBNW-UHFFFAOYSA-N 1 0 330.472 4.436 20 30 EIEDRO C=CCc1cc(C[NH2+]C2(c3nc(C)cs3)CCC2)c(O)c(OC)c1 ZINC000764109481 1053031259 /nfs/dbraw/zinc/03/12/59/1053031259.db2.gz CUQSLFMPQPVEQO-UHFFFAOYSA-N 1 0 344.480 4.063 20 30 EIEDRO CCCCCCCCOC(=O)Nc1cc(C)nn1-c1cc[nH+]cc1 ZINC001194735533 1053076496 /nfs/dbraw/zinc/07/64/96/1053076496.db2.gz RLQHMMUZJUAWAR-UHFFFAOYSA-N 1 0 330.432 4.485 20 30 EIEDRO CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001194744608 1053078751 /nfs/dbraw/zinc/07/87/51/1053078751.db2.gz ISURGQNIYIDUBL-UZLBHIALSA-N 1 0 335.451 4.291 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ccnn3CC3CC3)c2)s1 ZINC000850152962 1053080413 /nfs/dbraw/zinc/08/04/13/1053080413.db2.gz ONMGTCHEWFPFNN-UHFFFAOYSA-N 1 0 348.475 4.183 20 30 EIEDRO C=CCCCCC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001194714519 1053084583 /nfs/dbraw/zinc/08/45/83/1053084583.db2.gz ITONRSLBNKMMIR-UHFFFAOYSA-N 1 0 336.520 4.456 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000775615934 1053111849 /nfs/dbraw/zinc/11/18/49/1053111849.db2.gz VOXMBFFQDRHCBH-RTBURBONSA-N 1 0 338.451 4.169 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(-c2cccc(Cl)c2)cc1C ZINC000764471834 1053118977 /nfs/dbraw/zinc/11/89/77/1053118977.db2.gz NQXIGWUILAXDIR-UHFFFAOYSA-N 1 0 328.843 4.372 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001194900555 1053152092 /nfs/dbraw/zinc/15/20/92/1053152092.db2.gz YDMZXPXFLXALOQ-DLBZAZTESA-N 1 0 326.525 4.440 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC(CC[NH2+]CC2(C#N)CCCCC2)CC1 ZINC000850390504 1053156669 /nfs/dbraw/zinc/15/66/69/1053156669.db2.gz IXTAVQPMPKAIHZ-UHFFFAOYSA-N 1 0 349.519 4.087 20 30 EIEDRO COc1cccc(C2([NH2+]Cc3ccc(N(C)CCC#N)cc3)CCC2)c1 ZINC000850404568 1053173908 /nfs/dbraw/zinc/17/39/08/1053173908.db2.gz AUDFWUDNGJWVIK-UHFFFAOYSA-N 1 0 349.478 4.214 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCC2SCCS2)cc1Cl ZINC000850407834 1053176046 /nfs/dbraw/zinc/17/60/46/1053176046.db2.gz TYUNUGCNKPQALJ-UHFFFAOYSA-N 1 0 329.918 4.191 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850427263 1053202552 /nfs/dbraw/zinc/20/25/52/1053202552.db2.gz QGEZJYDNRYJRMP-PXNSSMCTSA-N 1 0 346.490 4.011 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1cncc(Br)c1)c1ccncc1 ZINC000850435406 1053209688 /nfs/dbraw/zinc/20/96/88/1053209688.db2.gz NLQFDEGVYAHQKK-BLLLJJGKSA-N 1 0 332.245 4.207 20 30 EIEDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)C12CCC2 ZINC001194982559 1053214284 /nfs/dbraw/zinc/21/42/84/1053214284.db2.gz ABDDHSWGJJAUTL-NHCUHLMSSA-N 1 0 332.447 4.272 20 30 EIEDRO CC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000850484832 1053256663 /nfs/dbraw/zinc/25/66/63/1053256663.db2.gz RCMNLVMPLVMUAS-HNAYVOBHSA-N 1 0 326.415 4.400 20 30 EIEDRO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000764679841 1053267577 /nfs/dbraw/zinc/26/75/77/1053267577.db2.gz XCTGGTVQLLKRET-QUCCMNQESA-N 1 0 349.478 4.078 20 30 EIEDRO C[C@H]([NH2+]CCc1nsc2ccccc12)c1ccc(OCC#N)cc1 ZINC000850561267 1053316659 /nfs/dbraw/zinc/31/66/59/1053316659.db2.gz MWBJKMPSZBTNNF-AWEZNQCLSA-N 1 0 337.448 4.092 20 30 EIEDRO C[C@@H]([NH2+]CCOCCC#N)c1ccc(Oc2ccccc2)c(F)c1 ZINC000339070156 1053320607 /nfs/dbraw/zinc/32/06/07/1053320607.db2.gz WYKXTXRTSQKQRI-OAHLLOKOSA-N 1 0 328.387 4.199 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000850581200 1053332687 /nfs/dbraw/zinc/33/26/87/1053332687.db2.gz VDROTVIMUGNQAI-GJZGRUSLSA-N 1 0 325.330 4.027 20 30 EIEDRO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001195251978 1053345043 /nfs/dbraw/zinc/34/50/43/1053345043.db2.gz ZFIUXQNAECAWQC-IRXDYDNUSA-N 1 0 334.504 4.150 20 30 EIEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173550188 1053358374 /nfs/dbraw/zinc/35/83/74/1053358374.db2.gz SPLDNXZSCWGWHD-LJQANCHMSA-N 1 0 344.418 4.254 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)cc1 ZINC000764900254 1053364221 /nfs/dbraw/zinc/36/42/21/1053364221.db2.gz MPZUXNWIXVBUHU-IBGZPJMESA-N 1 0 349.474 4.098 20 30 EIEDRO CC[C@@H]1[C@@H](C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC[N@@H+]1C ZINC000864862200 1053376065 /nfs/dbraw/zinc/37/60/65/1053376065.db2.gz BZSILLMRNOWGAI-PCCBWWKXSA-N 1 0 347.462 4.011 20 30 EIEDRO CC1(C)C[C@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC001195376919 1053394386 /nfs/dbraw/zinc/39/43/86/1053394386.db2.gz RFZQTEQMCHECQX-HXUWFJFHSA-N 1 0 347.462 4.360 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCCn2ccnc2)cc1 ZINC000765259141 1053478572 /nfs/dbraw/zinc/47/85/72/1053478572.db2.gz NTBRDOHXRVUFHM-MRXNPFEDSA-N 1 0 333.863 4.145 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000765271774 1053485644 /nfs/dbraw/zinc/48/56/44/1053485644.db2.gz PHONIKXYRAXMQL-CQSZACIVSA-N 1 0 345.826 4.397 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1 ZINC000765282595 1053492058 /nfs/dbraw/zinc/49/20/58/1053492058.db2.gz XSTRHKBQAVMVEI-LJQANCHMSA-N 1 0 339.410 4.230 20 30 EIEDRO C#CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001195873723 1053511868 /nfs/dbraw/zinc/51/18/68/1053511868.db2.gz MRHFJWFWFOODNV-RXVVDRJESA-N 1 0 348.531 4.197 20 30 EIEDRO C=CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1Cl)c1ccncc1 ZINC000865464666 1053515068 /nfs/dbraw/zinc/51/50/68/1053515068.db2.gz MVFPIIUKISIRRM-MRXNPFEDSA-N 1 0 332.831 4.159 20 30 EIEDRO C=CCC1([NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CCCC1 ZINC000865629401 1053560784 /nfs/dbraw/zinc/56/07/84/1053560784.db2.gz FGMANFZHHPCWMK-ZDUSSCGKSA-N 1 0 332.435 4.013 20 30 EIEDRO Cc1c(Cl)cccc1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000865628029 1053562059 /nfs/dbraw/zinc/56/20/59/1053562059.db2.gz LYASHBBHRYLFQE-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc2sc(C)c(C)c2c(N)n1 ZINC001196056504 1053564651 /nfs/dbraw/zinc/56/46/51/1053564651.db2.gz KUDGSCPPGUUJRO-UONOGXRCSA-N 1 0 330.501 4.115 20 30 EIEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300425 1053564995 /nfs/dbraw/zinc/56/49/95/1053564995.db2.gz HXDSBDRTZVTOQL-FUHWJXTLSA-N 1 0 349.519 4.038 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000852410361 1053576043 /nfs/dbraw/zinc/57/60/43/1053576043.db2.gz LJMNALZDUKVCPP-SFHVURJKSA-N 1 0 328.500 4.090 20 30 EIEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)ccc2NC1=O ZINC000173227184 1053579998 /nfs/dbraw/zinc/57/99/98/1053579998.db2.gz GFXWCTDKZQHLHV-IQUTYRLHSA-N 1 0 349.434 4.080 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2ccccc2SC(F)F)CCCC1 ZINC000852589980 1053592428 /nfs/dbraw/zinc/59/24/28/1053592428.db2.gz XTGCHUMYSBTGHL-UHFFFAOYSA-N 1 0 340.439 4.418 20 30 EIEDRO COc1cc(C#N)c(F)cc1Nc1ccc(C[NH+]2CCCC2)cc1 ZINC001203827299 1053596934 /nfs/dbraw/zinc/59/69/34/1053596934.db2.gz XQPXBLVLPFQVOF-UHFFFAOYSA-N 1 0 325.387 4.045 20 30 EIEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C12CCC2 ZINC001196125643 1053597522 /nfs/dbraw/zinc/59/75/22/1053597522.db2.gz SBDMFEQJSKPZIM-SJORKVTESA-N 1 0 332.875 4.428 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc(OC)c1O ZINC000865832367 1053603408 /nfs/dbraw/zinc/60/34/08/1053603408.db2.gz NMPVFLGJRAUZHT-HUUCEWRRSA-N 1 0 341.373 4.116 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)cc1 ZINC000865834848 1053603436 /nfs/dbraw/zinc/60/34/36/1053603436.db2.gz WNZSCPOKZCHKNO-JTSKRJEESA-N 1 0 349.478 4.264 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]23)CC1 ZINC000865834280 1053603645 /nfs/dbraw/zinc/60/36/45/1053603645.db2.gz HQZIPKYJXIPMFS-IUOJZYCRSA-N 1 0 345.284 4.149 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2cc3cnccc3o2)cc(OC)c1O ZINC000865854234 1053609859 /nfs/dbraw/zinc/60/98/59/1053609859.db2.gz NFJWCTRPKGCXEP-ZDUSSCGKSA-N 1 0 338.407 4.121 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)nc(Cl)c2)c1 ZINC000797600231 1053624297 /nfs/dbraw/zinc/62/42/97/1053624297.db2.gz MSQNTTAOCQNHJD-MRXNPFEDSA-N 1 0 329.831 4.014 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C2(CC(C)C)CC2)ccc1Cl ZINC001196321763 1053638827 /nfs/dbraw/zinc/63/88/27/1053638827.db2.gz CUAVDEZAACPXTN-UHFFFAOYSA-N 1 0 347.890 4.063 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)cc1 ZINC000853095073 1053644522 /nfs/dbraw/zinc/64/45/22/1053644522.db2.gz RANSRYHBVZMJQL-KRWDZBQOSA-N 1 0 335.447 4.265 20 30 EIEDRO N#Cc1ccc(-c2ccccc2)nc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168543165 1053666870 /nfs/dbraw/zinc/66/68/70/1053666870.db2.gz LEUQNGBXJPGQGV-SFHVURJKSA-N 1 0 340.430 4.204 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CCc2cncc3ccccc32)CC1 ZINC000866261028 1053667819 /nfs/dbraw/zinc/66/78/19/1053667819.db2.gz NCOMLDYDDLLNKF-SFHVURJKSA-N 1 0 337.511 4.186 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1cccc2nsnc21)c1ccc(F)c(F)c1 ZINC000775720310 1053679327 /nfs/dbraw/zinc/67/93/27/1053679327.db2.gz GFEXTQTVIVHLHZ-INIZCTEOSA-N 1 0 331.391 4.377 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](c2ccccn2)C(C)C)cc(OC)c1OC ZINC000866292389 1053680229 /nfs/dbraw/zinc/68/02/29/1053680229.db2.gz LUXRLDZQJOJSCV-HXUWFJFHSA-N 1 0 340.467 4.314 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000775734677 1053722014 /nfs/dbraw/zinc/72/20/14/1053722014.db2.gz WCDMWUMNIJFVGP-KRWDZBQOSA-N 1 0 335.536 4.075 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccsc1 ZINC000866448536 1053733167 /nfs/dbraw/zinc/73/31/67/1053733167.db2.gz IFLYBUFPRIFJPM-GOSISDBHSA-N 1 0 325.481 4.329 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000866450822 1053735544 /nfs/dbraw/zinc/73/55/44/1053735544.db2.gz KSYPGZCLTAWRDV-LSJNQWAISA-N 1 0 330.472 4.366 20 30 EIEDRO C=C(CC)C[NH+]1CCC(c2nccc(-c3ccccc3OC)n2)CC1 ZINC000854095897 1053755032 /nfs/dbraw/zinc/75/50/32/1053755032.db2.gz ICCLJRJZCNDJNE-UHFFFAOYSA-N 1 0 337.467 4.298 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000866511523 1053760320 /nfs/dbraw/zinc/76/03/20/1053760320.db2.gz VRQHTWMJJSEPEW-NTYOPAKOSA-N 1 0 338.495 4.185 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000866511521 1053762978 /nfs/dbraw/zinc/76/29/78/1053762978.db2.gz VRQHTWMJJSEPEW-DWOCFRCJSA-N 1 0 338.495 4.185 20 30 EIEDRO N#Cc1cc(Cl)cc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC001196920726 1053801894 /nfs/dbraw/zinc/80/18/94/1053801894.db2.gz ZNUBJBDBYHNAEU-MSOLQXFVSA-N 1 0 347.245 4.485 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000866632899 1053811244 /nfs/dbraw/zinc/81/12/44/1053811244.db2.gz PVODJXIDYXUBCD-WMLDXEAASA-N 1 0 331.847 4.200 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCc2csc(C(C)C)n2)cc1 ZINC000765632001 1053826680 /nfs/dbraw/zinc/82/66/80/1053826680.db2.gz AASRHZAWZXUANS-HNNXBMFYSA-N 1 0 328.481 4.172 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCCCc2nc(C)cs2)cc1 ZINC000765659207 1053832819 /nfs/dbraw/zinc/83/28/19/1053832819.db2.gz UDFDOHGHHIJQBJ-MRXNPFEDSA-N 1 0 328.481 4.137 20 30 EIEDRO COc1ccccc1[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC001197212101 1053854240 /nfs/dbraw/zinc/85/42/40/1053854240.db2.gz GRHQTWIWPLHJIS-IBGZPJMESA-N 1 0 337.438 4.456 20 30 EIEDRO CCCCCCCCCCCCNC(=S)N1CC[C@@](C)([NH3+])C1 ZINC001239402241 1053856818 /nfs/dbraw/zinc/85/68/18/1053856818.db2.gz NCWHEVPNUZLJLL-GOSISDBHSA-N 1 0 327.582 4.205 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C[C@H](C)O2 ZINC001197272455 1053865697 /nfs/dbraw/zinc/86/56/97/1053865697.db2.gz AGWFUIARNQUXLX-RBBKRZOGSA-N 1 0 344.543 4.322 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(C#N)c2)cc1[N+](=O)[O-] ZINC001168553326 1053887114 /nfs/dbraw/zinc/88/71/14/1053887114.db2.gz QNRVKNOMKIJMLW-GFCCVEGCSA-N 1 0 329.787 4.279 20 30 EIEDRO C#CCCCCCC[N@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC001197402614 1053894844 /nfs/dbraw/zinc/89/48/44/1053894844.db2.gz KABWVOSZXKZHRR-INIZCTEOSA-N 1 0 348.512 4.001 20 30 EIEDRO CC1(C)[C@@H](c2ccc(F)c(F)c2)CCN1Cc1nc(C#N)cs1 ZINC001197422470 1053904465 /nfs/dbraw/zinc/90/44/65/1053904465.db2.gz RDZMAVKIVFEZDB-CYBMUJFWSA-N 1 0 333.407 4.061 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000113328167 1053924477 /nfs/dbraw/zinc/92/44/77/1053924477.db2.gz GLAOIMLWHFTHKO-GGAORHGYSA-N 1 0 349.474 4.346 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000776812378 1053925873 /nfs/dbraw/zinc/92/58/73/1053925873.db2.gz IHHHWJPSGUFHEU-GOSISDBHSA-N 1 0 333.353 4.134 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(F)c(C)c2)ccc1OC ZINC000113348231 1053926398 /nfs/dbraw/zinc/92/63/98/1053926398.db2.gz KLNHIBANULPQCB-QGZVFWFLSA-N 1 0 342.414 4.114 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000466790556 1053928540 /nfs/dbraw/zinc/92/85/40/1053928540.db2.gz PGKFKZZQCSDIGO-YJBOKZPZSA-N 1 0 334.891 4.195 20 30 EIEDRO C[C@H]([NH2+]CCC1(C(=O)OC(C)(C)C)CCC1)c1cccc(C#N)c1 ZINC001197683205 1053973876 /nfs/dbraw/zinc/97/38/76/1053973876.db2.gz UVGZSUCBPWJPQW-HNNXBMFYSA-N 1 0 328.456 4.111 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cc(F)cc(Br)c1 ZINC000339091779 1054009404 /nfs/dbraw/zinc/00/94/04/1054009404.db2.gz TVBWAFLSOWQTKL-ONERCXAPSA-N 1 0 325.225 4.321 20 30 EIEDRO COC(=O)c1cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)ccc1C ZINC001198210146 1054097965 /nfs/dbraw/zinc/09/79/65/1054097965.db2.gz FUTLMFUQSXTRBH-UHFFFAOYSA-N 1 0 348.446 4.033 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC001198289971 1054115995 /nfs/dbraw/zinc/11/59/95/1054115995.db2.gz XREGWXCDAHKYHT-HNNXBMFYSA-N 1 0 338.517 4.470 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(c3ccc(F)cc3F)CC2)cc1 ZINC000123213862 1054116902 /nfs/dbraw/zinc/11/69/02/1054116902.db2.gz UYQQERSHCKVDMZ-AWEZNQCLSA-N 1 0 342.389 4.077 20 30 EIEDRO C[C@]1(Cc2ccc(Cl)s2)CCCN1Cc1ccncc1C#N ZINC001198299631 1054118458 /nfs/dbraw/zinc/11/84/58/1054118458.db2.gz GXKHIANNYKGCQM-QGZVFWFLSA-N 1 0 331.872 4.265 20 30 EIEDRO C=CCCC[N@@H+](CC)Cc1ccc(OC)c(OC)c1Br ZINC001198457817 1054150090 /nfs/dbraw/zinc/15/00/90/1054150090.db2.gz KTHWKUDPOJXDIL-UHFFFAOYSA-N 1 0 342.277 4.254 20 30 EIEDRO COc1ccc([C@@H]2C[C@@H]([NH2+][C@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC001168575436 1054218234 /nfs/dbraw/zinc/21/82/34/1054218234.db2.gz GSVJCDGDJMOUCN-JJXUHFIVSA-N 1 0 336.435 4.138 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001198684488 1054234021 /nfs/dbraw/zinc/23/40/21/1054234021.db2.gz BLMZMPGARDPJNP-ZWKOTPCHSA-N 1 0 337.385 4.090 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000872047468 1054357724 /nfs/dbraw/zinc/35/77/24/1054357724.db2.gz DJTVGNGIDVGLMB-QGZVFWFLSA-N 1 0 337.385 4.138 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023833 1054403875 /nfs/dbraw/zinc/40/38/75/1054403875.db2.gz RDKYKXBKCXPMFJ-OAQYLSRUSA-N 1 0 347.462 4.183 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024019 1054404285 /nfs/dbraw/zinc/40/42/85/1054404285.db2.gz SYYUZMZUKUGYTQ-IERDGZPVSA-N 1 0 347.462 4.435 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(C(F)(F)F)nc1 ZINC000872130977 1054406253 /nfs/dbraw/zinc/40/62/53/1054406253.db2.gz NWLLMYQLTVNFPX-MEDUHNTESA-N 1 0 331.341 4.310 20 30 EIEDRO Fc1cc(C[NH2+]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)ccn1 ZINC000858092165 1054414576 /nfs/dbraw/zinc/41/45/76/1054414576.db2.gz QHXDSTLFLZUNCW-NXEZZACHSA-N 1 0 344.274 4.220 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@@H](SC)C2)cc1OC ZINC000858147426 1054425085 /nfs/dbraw/zinc/42/50/85/1054425085.db2.gz OSTRCPQEMKPUKI-UONOGXRCSA-N 1 0 341.904 4.287 20 30 EIEDRO N#Cc1ccccc1OC1CC[NH+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137059354 1054442749 /nfs/dbraw/zinc/44/27/49/1054442749.db2.gz YASZZCUXYSGCMF-UHFFFAOYSA-N 1 0 349.409 4.222 20 30 EIEDRO C[C@@H](c1ccccc1)[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1O ZINC000776012034 1054445008 /nfs/dbraw/zinc/44/50/08/1054445008.db2.gz WQRVWBZGGZULPG-KRWDZBQOSA-N 1 0 343.430 4.422 20 30 EIEDRO C#CCOc1ccc(C[NH2+]CCc2ccccc2C(F)(F)F)cc1 ZINC001199759033 1054463738 /nfs/dbraw/zinc/46/37/38/1054463738.db2.gz GBVBQWQHDFJUBH-UHFFFAOYSA-N 1 0 333.353 4.050 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)cc1 ZINC000858330247 1054466911 /nfs/dbraw/zinc/46/69/11/1054466911.db2.gz MGBZBVDTXCDWEQ-AWEZNQCLSA-N 1 0 348.368 4.372 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)C(C)(C)c2ccc(C#N)cc2)c1 ZINC000858401108 1054483518 /nfs/dbraw/zinc/48/35/18/1054483518.db2.gz IDGGFTQNYACGMU-UHFFFAOYSA-N 1 0 349.478 4.316 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000858425315 1054486930 /nfs/dbraw/zinc/48/69/30/1054486930.db2.gz FUYPQXNBRGESIQ-IAGOWNOFSA-N 1 0 349.519 4.084 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2Br)C1 ZINC000873131612 1054490040 /nfs/dbraw/zinc/49/00/40/1054490040.db2.gz RADZPMSDAJZDMK-JQWIXIFHSA-N 1 0 327.653 4.274 20 30 EIEDRO C(#CC1CC[NH+](Cc2ccc(N3CCCC3)o2)CC1)c1ccccc1 ZINC001137071064 1054526164 /nfs/dbraw/zinc/52/61/64/1054526164.db2.gz ZLRFSZMJZDQRCG-UHFFFAOYSA-N 1 0 334.463 4.144 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282193918 1054533769 /nfs/dbraw/zinc/53/37/69/1054533769.db2.gz WTKLAXFKOWSGFT-QFBILLFUSA-N 1 0 334.467 4.032 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)ccc1OC(F)F ZINC000859228610 1054646694 /nfs/dbraw/zinc/64/66/94/1054646694.db2.gz SWKXNHKAXMPMPN-CYBMUJFWSA-N 1 0 346.377 4.328 20 30 EIEDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1C#N ZINC000859283427 1054657938 /nfs/dbraw/zinc/65/79/38/1054657938.db2.gz VTWMSSANDOPKBM-INIZCTEOSA-N 1 0 349.434 4.016 20 30 EIEDRO CC(C)[C@@H](CN[C@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCCCC1 ZINC000776153253 1054751372 /nfs/dbraw/zinc/75/13/72/1054751372.db2.gz AOYKRNJRINWSOQ-WIYYLYMNSA-N 1 0 343.515 4.140 20 30 EIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Br)cs1 ZINC000282236237 1054752573 /nfs/dbraw/zinc/75/25/73/1054752573.db2.gz IUVIINBECKHKRC-VOMCLLRMSA-N 1 0 327.291 4.491 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc(OC)c1OC ZINC000776164548 1054780549 /nfs/dbraw/zinc/78/05/49/1054780549.db2.gz SOXDBQICWWPRKE-OAHLLOKOSA-N 1 0 336.435 4.155 20 30 EIEDRO CC(C)C(C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)C(C)C ZINC001201450038 1054813760 /nfs/dbraw/zinc/81/37/60/1054813760.db2.gz RVQLIRZAENBQOB-UHFFFAOYSA-N 1 0 329.488 4.161 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H](C)CCC=C(C)C)CC2 ZINC001201486440 1054815573 /nfs/dbraw/zinc/81/55/73/1054815573.db2.gz JTQHXPXESCXXBM-FPOVZHCZSA-N 1 0 332.532 4.402 20 30 EIEDRO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C#N)c1 ZINC001201481641 1054832816 /nfs/dbraw/zinc/83/28/16/1054832816.db2.gz LEESNGHTVNBDRL-RTWAWAEBSA-N 1 0 340.430 4.163 20 30 EIEDRO C=CCCC[C@H](C)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC001201656636 1054878284 /nfs/dbraw/zinc/87/82/84/1054878284.db2.gz UBWFQSUYTMDGLS-AWEZNQCLSA-N 1 0 348.288 4.469 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](CCOCCC#N)C1 ZINC000339021593 1054881559 /nfs/dbraw/zinc/88/15/59/1054881559.db2.gz BZBAVQMTDAGQOW-CJNGLKHVSA-N 1 0 326.362 4.019 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC1)CC(=O)N(C)c1ccccc12 ZINC001201776744 1054914450 /nfs/dbraw/zinc/91/44/50/1054914450.db2.gz JTNBKHRTZVUCAR-UHFFFAOYSA-N 1 0 328.500 4.357 20 30 EIEDRO C=C(C)CC[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC001202505455 1054917977 /nfs/dbraw/zinc/91/79/77/1054917977.db2.gz RFRXKGLYZWXTNT-UHFFFAOYSA-N 1 0 334.204 4.415 20 30 EIEDRO CCCCCCCC[N@@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001201825994 1054925017 /nfs/dbraw/zinc/92/50/17/1054925017.db2.gz KPLOXLNDBBATCL-UHFFFAOYSA-N 1 0 333.520 4.376 20 30 EIEDRO CCCCCCCCC[N@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001201840020 1054931518 /nfs/dbraw/zinc/93/15/18/1054931518.db2.gz RRNFKFWLQZCPQN-BGYRXZFFSA-N 1 0 329.532 4.196 20 30 EIEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1CC[C@H](C)CCC=C(C)C ZINC001201970766 1054974803 /nfs/dbraw/zinc/97/48/03/1054974803.db2.gz BHQXRQLRIUOJBX-QUCCMNQESA-N 1 0 345.531 4.295 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+]CCCSc2ccc(F)cc2)c1 ZINC000876890903 1054978245 /nfs/dbraw/zinc/97/82/45/1054978245.db2.gz LMMQVLVNUABEJP-UHFFFAOYSA-N 1 0 335.835 4.018 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)c2cccc(F)c2)cc1 ZINC000118454003 1054980092 /nfs/dbraw/zinc/98/00/92/1054980092.db2.gz IMOSOWBNYJDROE-OAHLLOKOSA-N 1 0 326.415 4.184 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000876940032 1054987099 /nfs/dbraw/zinc/98/70/99/1054987099.db2.gz OOISSKXFDAXLSJ-IFMALSPDSA-N 1 0 331.463 4.016 20 30 EIEDRO CCOc1ccccc1[C@H](CC)NCc1cc(C#N)cnc1Cl ZINC000876995080 1054993294 /nfs/dbraw/zinc/99/32/94/1054993294.db2.gz VXQPZGYIEDGAOT-INIZCTEOSA-N 1 0 329.831 4.246 20 30 EIEDRO Cc1cc([C@H]([NH2+]Cc2cc(C#N)cnc2Cl)C2CC2)ccc1F ZINC000877119292 1055022601 /nfs/dbraw/zinc/02/26/01/1055022601.db2.gz CSDDQEOHLMLULU-QGZVFWFLSA-N 1 0 329.806 4.295 20 30 EIEDRO C[C@H]1C[C@@H](Nc2ccc(OCc3cccc(C#N)c3)cc2)CC[N@@H+]1C ZINC000877170160 1055029796 /nfs/dbraw/zinc/02/97/96/1055029796.db2.gz JFTGDACPNUPTKJ-JXFKEZNVSA-N 1 0 335.451 4.032 20 30 EIEDRO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC001137119605 1055043375 /nfs/dbraw/zinc/04/33/75/1055043375.db2.gz ZAMRUATWAVJDAO-NRFANRHFSA-N 1 0 336.435 4.325 20 30 EIEDRO C=C[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccccc1 ZINC001137123692 1055087972 /nfs/dbraw/zinc/08/79/72/1055087972.db2.gz TVRGRHYHGUSHLD-RTBURBONSA-N 1 0 342.870 4.029 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000877601225 1055088332 /nfs/dbraw/zinc/08/83/32/1055088332.db2.gz XUBVOAUVLCTESA-SJORKVTESA-N 1 0 349.519 4.038 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000877621200 1055093630 /nfs/dbraw/zinc/09/36/30/1055093630.db2.gz SPDGOYJCKLFKTB-UHFFFAOYSA-N 1 0 329.444 4.206 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043087 1055102519 /nfs/dbraw/zinc/10/25/19/1055102519.db2.gz NZPYTLHGTYSPFM-IJLUTSLNSA-N 1 0 329.391 4.034 20 30 EIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)C1 ZINC000339043088 1055103788 /nfs/dbraw/zinc/10/37/88/1055103788.db2.gz NZPYTLHGTYSPFM-UTUOFQBUSA-N 1 0 329.391 4.034 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822549 1055128187 /nfs/dbraw/zinc/12/81/87/1055128187.db2.gz RJWHLRDHZGNACD-BBRMVZONSA-N 1 0 340.389 4.029 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000878166000 1055197393 /nfs/dbraw/zinc/19/73/93/1055197393.db2.gz JFYIFDAHMHSTAO-BULFRSBZSA-N 1 0 332.447 4.120 20 30 EIEDRO COc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCc4c3cccc4C#N)CCO2)cc1 ZINC001168606364 1055225205 /nfs/dbraw/zinc/22/52/05/1055225205.db2.gz GBAJNCBIZVNEEE-ZPMCFJSWSA-N 1 0 348.446 4.064 20 30 EIEDRO N#CC1(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CCCCC1 ZINC000863573246 1055231939 /nfs/dbraw/zinc/23/19/39/1055231939.db2.gz MJECODRRKODXGH-HNNXBMFYSA-N 1 0 327.255 4.090 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c1 ZINC000073491430 1055311862 /nfs/dbraw/zinc/31/18/62/1055311862.db2.gz ADASVXVVZPNWJU-HXUWFJFHSA-N 1 0 349.478 4.040 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H](C)C1CCCCC1)c1ccccc1 ZINC000878522082 1055331713 /nfs/dbraw/zinc/33/17/13/1055331713.db2.gz JXQKRUDDHBQGMN-UWJYYQICSA-N 1 0 326.484 4.328 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000765800023 1055348325 /nfs/dbraw/zinc/34/83/25/1055348325.db2.gz MBHCCFJFTDCBDA-QFBILLFUSA-N 1 0 345.870 4.072 20 30 EIEDRO C=CCCC[C@H](C(=O)N1CCC[C@H](c2ncc[nH]2)C1)c1ccccc1 ZINC000878687745 1055374495 /nfs/dbraw/zinc/37/44/95/1055374495.db2.gz SRMMUOOPKCHRRH-OALUTQOASA-N 1 0 337.467 4.256 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccc(C)c(C)c1)c1ccccc1 ZINC000878691457 1055374936 /nfs/dbraw/zinc/37/49/36/1055374936.db2.gz CLGOAOHPMXDPCC-QFIPXVFZSA-N 1 0 334.463 4.176 20 30 EIEDRO C=CCCC[C@H](C(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccccc1 ZINC000878687744 1055375554 /nfs/dbraw/zinc/37/55/54/1055375554.db2.gz SRMMUOOPKCHRRH-MOPGFXCFSA-N 1 0 337.467 4.256 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)ccc1OC(F)F ZINC000553608333 1055588356 /nfs/dbraw/zinc/58/83/56/1055588356.db2.gz UPWVKYLKEZKOJG-SNVBAGLBSA-N 1 0 338.379 4.081 20 30 EIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)c1OC ZINC000347653592 1055789540 /nfs/dbraw/zinc/78/95/40/1055789540.db2.gz OFBJRPHBCIJAFI-UHFFFAOYSA-N 1 0 336.435 4.049 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000542678658 1055817701 /nfs/dbraw/zinc/81/77/01/1055817701.db2.gz AYEFEIZYPYOTSN-ZLXGRDSLSA-N 1 0 342.389 4.407 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1-c1ccc(Cn2cncn2)cc1 ZINC000542692631 1055834039 /nfs/dbraw/zinc/83/40/39/1055834039.db2.gz DCSQVSWLGKINIA-GOSISDBHSA-N 1 0 346.478 4.438 20 30 EIEDRO N#Cc1cc(F)c(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)c1 ZINC000301070327 1055893839 /nfs/dbraw/zinc/89/38/39/1055893839.db2.gz BNKGJERYFIZAGV-ZDUSSCGKSA-N 1 0 347.434 4.222 20 30 EIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2ncccc2C#N)C1 ZINC000301098922 1055895494 /nfs/dbraw/zinc/89/54/94/1055895494.db2.gz NMTUSVXPMJZSIU-IRXDYDNUSA-N 1 0 334.467 4.043 20 30 EIEDRO N#Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(F)c1 ZINC000301247875 1055910208 /nfs/dbraw/zinc/91/02/08/1055910208.db2.gz LTMNJEQNAMAMDG-YQQQUEKLSA-N 1 0 335.426 4.305 20 30 EIEDRO C[N@H+](CCCNc1nc(C(F)(F)F)ccc1C#N)C1CCCCC1 ZINC000301310371 1055919257 /nfs/dbraw/zinc/91/92/57/1055919257.db2.gz ZJZGGEFXTPVGLJ-UHFFFAOYSA-N 1 0 340.393 4.039 20 30 EIEDRO C[C@H](CNc1cc(C#N)nc2ccccc21)[N@@H+]1CCc2sccc2C1 ZINC000301345080 1055924496 /nfs/dbraw/zinc/92/44/96/1055924496.db2.gz KCMOHYOVKRWQSO-CQSZACIVSA-N 1 0 348.475 4.027 20 30 EIEDRO Cc1ccc([C@@H](CNc2c(C#N)cnc3ccccc32)[NH+]2CCCC2)o1 ZINC000301405980 1055932853 /nfs/dbraw/zinc/93/28/53/1055932853.db2.gz LTCDKBWHEPOOBF-LJQANCHMSA-N 1 0 346.434 4.257 20 30 EIEDRO N#Cc1cnc2ccccc2c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000301482567 1055942184 /nfs/dbraw/zinc/94/21/84/1055942184.db2.gz TWVDPQKPEQAHMZ-UHFFFAOYSA-N 1 0 334.467 4.315 20 30 EIEDRO CCCC[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301623900 1055960591 /nfs/dbraw/zinc/96/05/91/1055960591.db2.gz OUXSXIFBNWOQNM-UHFFFAOYSA-N 1 0 325.378 4.253 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)C2CCC(C(F)(F)F)CC2)CC1 ZINC000474704353 1055993743 /nfs/dbraw/zinc/99/37/43/1055993743.db2.gz AEWUPWSGYFMIBL-QQFBHYJXSA-N 1 0 332.454 4.374 20 30 EIEDRO C[N@@H+]1CC[C@@H](Nc2ccc(Cl)c(C#N)n2)[C@H]1c1ccc(Cl)cc1 ZINC000301868068 1055995135 /nfs/dbraw/zinc/99/51/35/1055995135.db2.gz IPGOWSKKRPZTDG-RHSMWYFYSA-N 1 0 347.249 4.117 20 30 EIEDRO N#Cc1cc2c(nc1NC1CCC([NH+]3CCCCC3)CC1)CCCC2 ZINC000301864649 1055995179 /nfs/dbraw/zinc/99/51/79/1055995179.db2.gz FPBSEMNZVHUDNO-UHFFFAOYSA-N 1 0 338.499 4.041 20 30 EIEDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc(C#N)c(Cl)c3)C2)CC1 ZINC000302000934 1056006916 /nfs/dbraw/zinc/00/69/16/1056006916.db2.gz WFNWFPRBFVJJRF-MRXNPFEDSA-N 1 0 331.891 4.160 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1 ZINC000554078934 1056008976 /nfs/dbraw/zinc/00/89/76/1056008976.db2.gz OHDLIQWZASPEIG-QGZVFWFLSA-N 1 0 333.357 4.459 20 30 EIEDRO CC(=O)c1ccc(C#N)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000302099609 1056017199 /nfs/dbraw/zinc/01/71/99/1056017199.db2.gz KTEIFSMHURERNL-HRAATJIYSA-N 1 0 347.462 4.083 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000302116561 1056018894 /nfs/dbraw/zinc/01/88/94/1056018894.db2.gz RUYOCSIYLNBQEM-MRXNPFEDSA-N 1 0 347.462 4.398 20 30 EIEDRO C[C@@]1(CNc2snc(Cl)c2C#N)CCC[N@@H+]1Cc1ccccc1 ZINC000302377862 1056041987 /nfs/dbraw/zinc/04/19/87/1056041987.db2.gz GELYLTDBJSFHPY-KRWDZBQOSA-N 1 0 346.887 4.135 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2c(C#N)cccc2C#N)C1 ZINC000302862537 1056081644 /nfs/dbraw/zinc/08/16/44/1056081644.db2.gz WEUUCDIKRNZHQW-KRWDZBQOSA-N 1 0 344.462 4.274 20 30 EIEDRO C=CCSCC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000542827054 1056150193 /nfs/dbraw/zinc/15/01/93/1056150193.db2.gz NEYMEKCNODFOGL-ZDUSSCGKSA-N 1 0 330.266 4.084 20 30 EIEDRO CCCOc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000542830763 1056163041 /nfs/dbraw/zinc/16/30/41/1056163041.db2.gz OAKNOCJZYNNFDX-UHFFFAOYSA-N 1 0 349.478 4.424 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000304224031 1056391648 /nfs/dbraw/zinc/39/16/48/1056391648.db2.gz FVQWDLLPWFFFKD-VFNWGFHPSA-N 1 0 338.426 4.204 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(-c2cccnc2)cc1 ZINC000305779902 1056622238 /nfs/dbraw/zinc/62/22/38/1056622238.db2.gz SHRHBBXLZJSURY-ZHRRBRCNSA-N 1 0 343.430 4.004 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000111041026 1056735515 /nfs/dbraw/zinc/73/55/15/1056735515.db2.gz VMHHJSAFPDTQBE-UHFFFAOYSA-N 1 0 348.425 4.152 20 30 EIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NCc1csc(C#N)c1 ZINC000921888673 1056812625 /nfs/dbraw/zinc/81/26/25/1056812625.db2.gz VNIDLBOKCCUGLJ-UHFFFAOYSA-N 1 0 343.521 4.089 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccn1 ZINC000542945361 1056829241 /nfs/dbraw/zinc/82/92/41/1056829241.db2.gz QRGNOIQNYCUJRJ-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO COc1ccc(C[NH2+]CCCc2cccc(C(F)(F)F)c2)cc1C#N ZINC000742368165 1058578232 /nfs/dbraw/zinc/57/82/32/1058578232.db2.gz XGQWUZVGZGUHOO-UHFFFAOYSA-N 1 0 348.368 4.308 20 30 EIEDRO N#Cc1ccc(F)c(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)c1 ZINC000742381973 1058583002 /nfs/dbraw/zinc/58/30/02/1058583002.db2.gz VOWWTHYYNZHBBG-UHFFFAOYSA-N 1 0 332.378 4.360 20 30 EIEDRO COc1ccc(C[NH2+]CC(C)(C)c2ccccc2Cl)cc1C#N ZINC000742369423 1058596576 /nfs/dbraw/zinc/59/65/76/1058596576.db2.gz GKPFVEVRFMTPOW-UHFFFAOYSA-N 1 0 328.843 4.288 20 30 EIEDRO CO[C@@H](C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(Cl)cc1 ZINC000742378015 1058603264 /nfs/dbraw/zinc/60/32/64/1058603264.db2.gz TTYPYEXZHXLUIS-KUHUBIRLSA-N 1 0 344.842 4.108 20 30 EIEDRO C#CCOc1ccc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000742379267 1058604546 /nfs/dbraw/zinc/60/45/46/1058604546.db2.gz QRACLNXQFQYSQR-UHFFFAOYSA-N 1 0 338.838 4.166 20 30 EIEDRO C=C(C[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl)c1ccccc1 ZINC000742718007 1058754527 /nfs/dbraw/zinc/75/45/27/1058754527.db2.gz JFSRCXVEUIDXKJ-UHFFFAOYSA-N 1 0 340.858 4.469 20 30 EIEDRO C[C@@H]1CC(N=Nc2nc3cc(C(F)(F)F)ccc3s2)CC[N@@H+]1C ZINC000743445371 1058998849 /nfs/dbraw/zinc/99/88/49/1058998849.db2.gz RMFBCMXZWXNJBP-SECBINFHSA-N 1 0 342.390 4.197 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc2ccccc2c1)c1cccc(C#N)c1 ZINC000743492243 1059032560 /nfs/dbraw/zinc/03/25/60/1059032560.db2.gz RLESSXXXMBLCGG-CVEARBPZSA-N 1 0 343.430 4.389 20 30 EIEDRO CC[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000743860901 1059168570 /nfs/dbraw/zinc/16/85/70/1059168570.db2.gz YXIXEAHZAXAQRP-WIYYLYMNSA-N 1 0 341.499 4.142 20 30 EIEDRO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)n2)cc1 ZINC000744131163 1059278234 /nfs/dbraw/zinc/27/82/34/1059278234.db2.gz VUZGWWBNXATWDG-OAQYLSRUSA-N 1 0 342.446 4.086 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c1 ZINC000744447454 1059521265 /nfs/dbraw/zinc/52/12/65/1059521265.db2.gz KHTGFJRAKIZYLF-ORAYPTAESA-N 1 0 349.833 4.256 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000746125377 1060034044 /nfs/dbraw/zinc/03/40/44/1060034044.db2.gz HDCRKKPQJOCCRH-LZJOCLMNSA-N 1 0 347.462 4.153 20 30 EIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)c1 ZINC000746157945 1060051269 /nfs/dbraw/zinc/05/12/69/1060051269.db2.gz YPQMZGMVGXXMDC-HSZRJFAPSA-N 1 0 342.442 4.294 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1(CC)CC ZINC000749297324 1060288635 /nfs/dbraw/zinc/28/86/35/1060288635.db2.gz YQSJJVMELBIWKM-AYOQOUSVSA-N 1 0 330.472 4.051 20 30 EIEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001168967796 1060561016 /nfs/dbraw/zinc/56/10/16/1060561016.db2.gz BFEJDOXRSZINKE-HXUWFJFHSA-N 1 0 335.407 4.064 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)cc1 ZINC000766598885 1060649067 /nfs/dbraw/zinc/64/90/67/1060649067.db2.gz HMXSVJWGCDKLBT-JEDBISTDSA-N 1 0 335.875 4.426 20 30 EIEDRO C[C@H]([NH2+]C1CCC(OC(=O)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC001169273588 1060732967 /nfs/dbraw/zinc/73/29/67/1060732967.db2.gz WOKRLNSILGMBMH-ATIQYGATSA-N 1 0 348.446 4.377 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nc(C(F)(F)F)ccc1C#N ZINC001169683783 1060896681 /nfs/dbraw/zinc/89/66/81/1060896681.db2.gz ORINEIZBGMOHHZ-CQSZACIVSA-N 1 0 346.356 4.212 20 30 EIEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169702473 1060912349 /nfs/dbraw/zinc/91/23/49/1060912349.db2.gz FVZNCWJQZATMRF-LJQANCHMSA-N 1 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/nfs/dbraw/zinc/12/61/65/1032126165.db2.gz DVSFCNJDRZZIKW-UHFFFAOYSA-N 1 0 334.463 4.445 20 30 EIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000775015189 1050314833 /nfs/dbraw/zinc/31/48/33/1050314833.db2.gz RVAIOXAUWQLNNW-LBPRGKRZSA-N 1 0 328.250 4.042 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C12CCCC2 ZINC000236880399 1032205699 /nfs/dbraw/zinc/20/56/99/1032205699.db2.gz SRPPWKWRFGIMPU-WOJBJXKFSA-N 1 0 342.483 4.197 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340206 1032284716 /nfs/dbraw/zinc/28/47/16/1032284716.db2.gz QUAIGMWDELQRTE-HNNXBMFYSA-N 1 0 339.414 4.109 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000324650209 1032289987 /nfs/dbraw/zinc/28/99/87/1032289987.db2.gz BCVLSWORAQGDED-UHFFFAOYSA-N 1 0 337.389 4.032 20 30 EIEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCCC(C)(C)C#N ZINC000174853244 1032419470 /nfs/dbraw/zinc/41/94/70/1032419470.db2.gz ZGMBFMWFFQILGC-UHFFFAOYSA-N 1 0 342.462 4.410 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](CC)c2ccc(OCC)c(OCC)c2)CC1 ZINC000177912825 1032512975 /nfs/dbraw/zinc/51/29/75/1032512975.db2.gz XXOGZJZNBBCEGK-LJQANCHMSA-N 1 0 346.515 4.175 20 30 EIEDRO C[C@@H](CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000529670839 1032524927 /nfs/dbraw/zinc/52/49/27/1032524927.db2.gz BCSIWMCCHKGFKQ-SFHVURJKSA-N 1 0 334.463 4.347 20 30 EIEDRO C=CCC[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000533262983 1032586366 /nfs/dbraw/zinc/58/63/66/1032586366.db2.gz BVCMOFNKAMZZHF-LJQANCHMSA-N 1 0 343.515 4.210 20 30 EIEDRO CC(C)Cc1ncc(C[NH2+]CCSCc2ccccc2C#N)s1 ZINC000533311922 1032622492 /nfs/dbraw/zinc/62/24/92/1032622492.db2.gz GVQOEGUIOCWAKP-UHFFFAOYSA-N 1 0 345.537 4.236 20 30 EIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)C2CCCC2)cc1 ZINC000533386231 1032722113 /nfs/dbraw/zinc/72/21/13/1032722113.db2.gz KUZTWNNNYYZLGF-OAQYLSRUSA-N 1 0 333.435 4.018 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCCOc2ccc(Cl)cc2)c(F)c1 ZINC000533445742 1032778617 /nfs/dbraw/zinc/77/86/17/1032778617.db2.gz HIWCWURKQMQWDB-UHFFFAOYSA-N 1 0 332.806 4.300 20 30 EIEDRO C=CC[C@H](C)[NH2+]Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000116927139 1018825511 /nfs/dbraw/zinc/82/55/11/1018825511.db2.gz BXHUODGHXYMXOO-INIZCTEOSA-N 1 0 341.451 4.337 20 30 EIEDRO COc1ccc(CC[N@H+](Cc2ccc(C#N)cn2)CC(C)(C)C)cc1 ZINC000579727816 1018828084 /nfs/dbraw/zinc/82/80/84/1018828084.db2.gz YQSYFWWNYOROCV-UHFFFAOYSA-N 1 0 337.467 4.053 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1sccc1Br ZINC000562471353 1018869231 /nfs/dbraw/zinc/86/92/31/1018869231.db2.gz JPJRJXZTIGQOKW-WZRBSPASSA-N 1 0 330.291 4.142 20 30 EIEDRO CC(C)C(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C(C)C ZINC000579793883 1018979935 /nfs/dbraw/zinc/97/99/35/1018979935.db2.gz MTJGMLCHGSTKDP-UHFFFAOYSA-N 1 0 338.499 4.482 20 30 EIEDRO CC1(C)CCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000339574788 1019424843 /nfs/dbraw/zinc/42/48/43/1019424843.db2.gz JEQCWBCFABZIKE-IBGZPJMESA-N 1 0 336.483 4.380 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nc2ccccc2[nH]1 ZINC000236789865 1032831667 /nfs/dbraw/zinc/83/16/67/1032831667.db2.gz AUZAWBQGYJKXTL-YWZLYKJASA-N 1 0 348.450 4.341 20 30 EIEDRO CCC[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000538391897 1019564486 /nfs/dbraw/zinc/56/44/86/1019564486.db2.gz AQMJHEMVCFHJNQ-MRXNPFEDSA-N 1 0 333.501 4.287 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccc(C#N)cc1 ZINC000154343222 1019732021 /nfs/dbraw/zinc/73/20/21/1019732021.db2.gz BKWBCFQOGYQWSR-HOTGVXAUSA-N 1 0 333.435 4.097 20 30 EIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000339657956 1019782288 /nfs/dbraw/zinc/78/22/88/1019782288.db2.gz JHQBNFMGIBULTQ-SFHVURJKSA-N 1 0 348.425 4.020 20 30 EIEDRO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(C)(C)CCC#N ZINC000179629081 1019800098 /nfs/dbraw/zinc/80/00/98/1019800098.db2.gz AOVVLCUKRXHVDF-UHFFFAOYSA-N 1 0 342.270 4.194 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2)cc1OCCCC#N ZINC000179647009 1019803342 /nfs/dbraw/zinc/80/33/42/1019803342.db2.gz VVUDGPKPCBLTFR-UHFFFAOYSA-N 1 0 342.414 4.149 20 30 EIEDRO COCCCN1Cc2cccc(N=Cc3cc(Cl)ccc3O)c2C1 ZINC000255011796 1019870992 /nfs/dbraw/zinc/87/09/92/1019870992.db2.gz ULPPUUNURAJWGP-UHFFFAOYSA-N 1 0 344.842 4.148 20 30 EIEDRO Cc1ccc(O[C@@H](C)C[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000237376383 1032860258 /nfs/dbraw/zinc/86/02/58/1032860258.db2.gz VOTATHLSJZATTL-SFHVURJKSA-N 1 0 338.451 4.235 20 30 EIEDRO CCCOCc1ccccc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236893234 1032866452 /nfs/dbraw/zinc/86/64/52/1032866452.db2.gz SERXJHVIKRQUBI-KRWDZBQOSA-N 1 0 338.451 4.194 20 30 EIEDRO CC(C)CCN(CCC#N)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000339866189 1019987182 /nfs/dbraw/zinc/98/71/82/1019987182.db2.gz MAWHQLCDBXKZPG-FQEVSTJZSA-N 1 0 330.472 4.006 20 30 EIEDRO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000180373296 1020104216 /nfs/dbraw/zinc/10/42/16/1020104216.db2.gz RLXPLSXYOJZVMP-CTNGQTDRSA-N 1 0 344.499 4.443 20 30 EIEDRO CCC(CC)(CC)[NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000471238003 1020135400 /nfs/dbraw/zinc/13/54/00/1020135400.db2.gz QYJDBEFWNIWDCB-UHFFFAOYSA-N 1 0 329.488 4.109 20 30 EIEDRO C=CCCCCC[N@H+]1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001209422881 1020306325 /nfs/dbraw/zinc/30/63/25/1020306325.db2.gz JUYRUGBZYQOOPS-HXUWFJFHSA-N 1 0 330.447 4.001 20 30 EIEDRO C=CCCCCC[N@H+]1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC001209422879 1020307616 /nfs/dbraw/zinc/30/76/16/1020307616.db2.gz JUYRUGBZYQOOPS-FQEVSTJZSA-N 1 0 330.447 4.001 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001209438610 1020336106 /nfs/dbraw/zinc/33/61/06/1020336106.db2.gz PDZMIRYHYAAXQB-HUUCEWRRSA-N 1 0 325.390 4.240 20 30 EIEDRO Cc1c[nH+]c(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)cc1C ZINC001167152836 1020405110 /nfs/dbraw/zinc/40/51/10/1020405110.db2.gz SZNUKFDOKVDIRY-UHFFFAOYSA-N 1 0 341.842 4.271 20 30 EIEDRO C#CC[N@@H+](CCOc1ccc(F)cc1Cl)[C@@H]1CCc2ccccc21 ZINC001167179247 1020489478 /nfs/dbraw/zinc/48/94/78/1020489478.db2.gz XEBOHVCCRFJPEM-LJQANCHMSA-N 1 0 343.829 4.481 20 30 EIEDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000430372710 1020512528 /nfs/dbraw/zinc/51/25/28/1020512528.db2.gz SIATZAGOBWQPSH-SFHVURJKSA-N 1 0 341.842 4.233 20 30 EIEDRO CC[C@H](c1ccccc1)[N@H+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC001167255830 1020684318 /nfs/dbraw/zinc/68/43/18/1020684318.db2.gz OJRZWNFHBBXCGA-HXUWFJFHSA-N 1 0 336.435 4.318 20 30 EIEDRO C#CC[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC001167273391 1020750071 /nfs/dbraw/zinc/75/00/71/1020750071.db2.gz FCYNNUDEYGUHTJ-SFHVURJKSA-N 1 0 348.531 4.292 20 30 EIEDRO CC[N@H+](CCc1nc2ccccc2n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000510262509 1020764568 /nfs/dbraw/zinc/76/45/68/1020764568.db2.gz VHAAATDYWRCKRY-MRXNPFEDSA-N 1 0 332.451 4.071 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(OC(F)(F)F)c1 ZINC000175754383 1020834417 /nfs/dbraw/zinc/83/44/17/1020834417.db2.gz LCVBUFPPNXNFIB-JTQLQIEISA-N 1 0 326.343 4.369 20 30 EIEDRO C[C@@H](C[NH+]1CCN(c2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC001167288042 1020866371 /nfs/dbraw/zinc/86/63/71/1020866371.db2.gz WXEPOPDTOXZZQV-INIZCTEOSA-N 1 0 329.463 4.036 20 30 EIEDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC001167291478 1020886796 /nfs/dbraw/zinc/88/67/96/1020886796.db2.gz NYFXAJTYRBALFP-CQSZACIVSA-N 1 0 328.843 4.283 20 30 EIEDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(C#N)c1 ZINC000176821588 1020919659 /nfs/dbraw/zinc/91/96/59/1020919659.db2.gz SLEGWUFSOMODJL-UHFFFAOYSA-N 1 0 327.359 4.016 20 30 EIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCCC1(C#N)CCOCC1)CCC2 ZINC000375612615 1020924351 /nfs/dbraw/zinc/92/43/51/1020924351.db2.gz NSWPKDLGHKXOIX-MRXNPFEDSA-N 1 0 347.528 4.115 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)C2CCCCC2)ccc1OC ZINC000177332051 1020972315 /nfs/dbraw/zinc/97/23/15/1020972315.db2.gz SVYBKQMWCCVALN-QAPCUYQASA-N 1 0 330.472 4.435 20 30 EIEDRO O[C@H](C[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1)c1cccs1 ZINC000175837458 1021129466 /nfs/dbraw/zinc/12/94/66/1021129466.db2.gz QPJFKYLJZSSELL-QZTJIDSGSA-N 1 0 345.895 4.341 20 30 EIEDRO C[C@@]1([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCc2ccccc21 ZINC000560550559 1021139899 /nfs/dbraw/zinc/13/98/99/1021139899.db2.gz XVTYDICNLVWBMK-HSZRJFAPSA-N 1 0 345.490 4.368 20 30 EIEDRO CC[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCO1 ZINC000472447938 1021198746 /nfs/dbraw/zinc/19/87/46/1021198746.db2.gz GCINMRKWDNKKQT-FCHUYYIVSA-N 1 0 348.490 4.434 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OCc2cccnc2)cc1 ZINC000048712305 1021246834 /nfs/dbraw/zinc/24/68/34/1021246834.db2.gz CIKHSUPLQUICRC-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610343964 1021333904 /nfs/dbraw/zinc/33/39/04/1021333904.db2.gz XCLBEDKFXNVSSA-ZIAGYGMSSA-N 1 0 341.842 4.198 20 30 EIEDRO CCn1ncc2c1CCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000376085526 1021394306 /nfs/dbraw/zinc/39/43/06/1021394306.db2.gz WENRAWGHYLGUKK-YVEFUNNKSA-N 1 0 328.847 4.156 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1OC1CCCC1 ZINC000177695978 1021537949 /nfs/dbraw/zinc/53/79/49/1021537949.db2.gz RCGDJTZVCPWUIU-UHFFFAOYSA-N 1 0 342.464 4.240 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccc(C#N)c1 ZINC000376163059 1021636612 /nfs/dbraw/zinc/63/66/12/1021636612.db2.gz AHDYMYMNIRACDW-GOEBONIOSA-N 1 0 341.405 4.014 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCCSc2ccc(F)cc2)O1 ZINC000376167237 1021641791 /nfs/dbraw/zinc/64/17/91/1021641791.db2.gz PETUVBKCLZPHOR-YSHGAJCASA-N 1 0 348.487 4.137 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]Cc2ccccc2C(F)(F)F)O1 ZINC000376169080 1021645094 /nfs/dbraw/zinc/64/50/94/1021645094.db2.gz WZBWUTGYKJACQQ-MUIFIZLQSA-N 1 0 338.373 4.035 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000187593988 1021706422 /nfs/dbraw/zinc/70/64/22/1021706422.db2.gz GOVCMURPUTYCKT-HOCLYGCPSA-N 1 0 342.389 4.245 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CCOc3ccccc3C(F)(F)F)CC2)c1 ZINC000580055306 1021710247 /nfs/dbraw/zinc/71/02/47/1021710247.db2.gz PEBMIVQKGIWLEH-UHFFFAOYSA-N 1 0 346.352 4.235 20 30 EIEDRO N#CCCC1CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000564208867 1021857307 /nfs/dbraw/zinc/85/73/07/1021857307.db2.gz YMLFEQKMEUXGCB-UHFFFAOYSA-N 1 0 326.362 4.100 20 30 EIEDRO Cc1cc(C)c(C#N)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000379670624 1021868340 /nfs/dbraw/zinc/86/83/40/1021868340.db2.gz JFBAKANMQLRWIK-PKOBYXMFSA-N 1 0 334.467 4.035 20 30 EIEDRO C=CC[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccccc1 ZINC000613367060 1021895205 /nfs/dbraw/zinc/89/52/05/1021895205.db2.gz ZKUXQIATLZSXLP-UHFFFAOYSA-N 1 0 342.870 4.035 20 30 EIEDRO CC[C@H](C)[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000175805162 1021977005 /nfs/dbraw/zinc/97/70/05/1021977005.db2.gz DOJYDLCEFKSNSG-HNNXBMFYSA-N 1 0 341.480 4.249 20 30 EIEDRO C[NH+](C)[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)c1ccsc1 ZINC000613411567 1021987929 /nfs/dbraw/zinc/98/79/29/1021987929.db2.gz OUBSMJICQBXWHT-HNNXBMFYSA-N 1 0 328.485 4.027 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(OC(F)F)cc1OC(F)F ZINC000414161593 1022000675 /nfs/dbraw/zinc/00/06/75/1022000675.db2.gz FSFPLZCCSMTGOL-SNVBAGLBSA-N 1 0 348.340 4.480 20 30 EIEDRO C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613428935 1022007837 /nfs/dbraw/zinc/00/78/37/1022007837.db2.gz AUZGFQBSCSLLCB-NVXWUHKLSA-N 1 0 340.515 4.316 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1Br ZINC000414164341 1022015937 /nfs/dbraw/zinc/01/59/37/1022015937.db2.gz KFEKBZOOBHUHIY-LLVKDONJSA-N 1 0 325.250 4.048 20 30 EIEDRO CC(C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccnc1 ZINC000125670962 1022057451 /nfs/dbraw/zinc/05/74/51/1022057451.db2.gz JACIAKMJIVVLJL-UHFFFAOYSA-N 1 0 332.369 4.363 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC001167412535 1022107123 /nfs/dbraw/zinc/10/71/23/1022107123.db2.gz MQICIIDJHDIMLW-YWZLYKJASA-N 1 0 338.476 4.245 20 30 EIEDRO C=CCCC[C@H](C)[NH2+]Cc1cccc(I)c1 ZINC000398068633 1022137835 /nfs/dbraw/zinc/13/78/35/1022137835.db2.gz KVFUCTOGUZRWQE-LBPRGKRZSA-N 1 0 329.225 4.126 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000549035197 1022184973 /nfs/dbraw/zinc/18/49/73/1022184973.db2.gz VVWIJDMPXLCJPM-UHFFFAOYSA-N 1 0 336.483 4.077 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000580738077 1022436813 /nfs/dbraw/zinc/43/68/13/1022436813.db2.gz WQGBDCRCRLFLJZ-OAHLLOKOSA-N 1 0 348.475 4.051 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)CC2 ZINC000580744117 1022446284 /nfs/dbraw/zinc/44/62/84/1022446284.db2.gz BBVBSOMAIBGWBM-GOSISDBHSA-N 1 0 346.352 4.276 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1cc(C#N)ccc1[N+](=O)[O-])c1ccsc1 ZINC000341398393 1022451874 /nfs/dbraw/zinc/45/18/74/1022451874.db2.gz PDISMHBGZTULMY-KRWDZBQOSA-N 1 0 344.440 4.023 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000175911095 1022499857 /nfs/dbraw/zinc/49/98/57/1022499857.db2.gz FDAGEZYTDIAHIR-NPPFBWRTSA-N 1 0 333.479 4.262 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000472939471 1022500907 /nfs/dbraw/zinc/50/09/07/1022500907.db2.gz MLKKBRFJBMTMQK-RBBKRZOGSA-N 1 0 337.463 4.122 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000180335151 1022560312 /nfs/dbraw/zinc/56/03/12/1022560312.db2.gz MUYDRKFQAZYVNG-UHFFFAOYSA-N 1 0 343.386 4.423 20 30 EIEDRO CCCCCCCCC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000275990164 1022562044 /nfs/dbraw/zinc/56/20/44/1022562044.db2.gz OTNYWHFXZHDFSC-HXUWFJFHSA-N 1 0 345.531 4.113 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc([N+](=O)[O-])cc1 ZINC000177823000 1022575147 /nfs/dbraw/zinc/57/51/47/1022575147.db2.gz LHVVBKZFQBWZFI-AWEZNQCLSA-N 1 0 341.436 4.050 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1OCCCC#N ZINC000064613430 1022822936 /nfs/dbraw/zinc/82/29/36/1022822936.db2.gz NOMAJUHUSXNLIY-UHFFFAOYSA-N 1 0 344.842 4.321 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCCc2cccc(Cl)c2)O1 ZINC000378448349 1022823922 /nfs/dbraw/zinc/82/39/22/1022823922.db2.gz CNKGFSADMWYDPD-AKHDSKFASA-N 1 0 332.875 4.102 20 30 EIEDRO Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000378459394 1022829713 /nfs/dbraw/zinc/82/97/13/1022829713.db2.gz ZIJPHKLXIJIIRL-DDBAPUKQSA-N 1 0 342.414 4.210 20 30 EIEDRO C[C@H]1c2nnc(C3CCCC3)n2CCN1CCCCC(C)(C)C#N ZINC000376499085 1022845698 /nfs/dbraw/zinc/84/56/98/1022845698.db2.gz BBSZVBCCSLBJKP-HNNXBMFYSA-N 1 0 329.492 4.032 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc3ccc(F)cc3c2C)CC1 ZINC000106034736 1022848768 /nfs/dbraw/zinc/84/87/68/1022848768.db2.gz ZCCYFDIGPDWSHH-UHFFFAOYSA-N 1 0 346.471 4.119 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nc2ccccc2n1C ZINC000610484342 1022858699 /nfs/dbraw/zinc/85/86/99/1022858699.db2.gz WSGNSZUMGWRRCT-INIZCTEOSA-N 1 0 348.450 4.107 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000537957957 1022872362 /nfs/dbraw/zinc/87/23/62/1022872362.db2.gz ALVHRRFJWUEZNU-LSDHHAIUSA-N 1 0 329.513 4.455 20 30 EIEDRO COc1ccc([C@@H](CCC#N)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000581230537 1022892482 /nfs/dbraw/zinc/89/24/82/1022892482.db2.gz BRRHRXOYFWERQV-YLJYHZDGSA-N 1 0 343.515 4.140 20 30 EIEDRO CC(C)([NH2+]Cc1cccc(C#N)c1)c1ccc(OC(F)(F)F)cc1 ZINC000188901437 1022954655 /nfs/dbraw/zinc/95/46/55/1022954655.db2.gz VQJUNUSQNXXZAS-UHFFFAOYSA-N 1 0 334.341 4.482 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C12CCCC2 ZINC000581337088 1023034632 /nfs/dbraw/zinc/03/46/32/1023034632.db2.gz UETJHBMJBPVWFY-RBUKOAKNSA-N 1 0 326.484 4.315 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)ccc1C#N ZINC000414455974 1023088911 /nfs/dbraw/zinc/08/89/11/1023088911.db2.gz QDHYOQWZVFGVAI-UHFFFAOYSA-N 1 0 334.341 4.184 20 30 EIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000561352960 1023123554 /nfs/dbraw/zinc/12/35/54/1023123554.db2.gz KKTOXUGYOKOFBU-CVEARBPZSA-N 1 0 326.415 4.343 20 30 EIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000181449662 1023131365 /nfs/dbraw/zinc/13/13/65/1023131365.db2.gz LNEJWKGGTOUQTH-ZTFGCOKTSA-N 1 0 338.455 4.159 20 30 EIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(OC)c(C#N)c1)CCC2 ZINC000135212986 1023204876 /nfs/dbraw/zinc/20/48/76/1023204876.db2.gz IXGRFFSQUDHQFD-MRXNPFEDSA-N 1 0 341.480 4.095 20 30 EIEDRO N#CCCC1CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000584717243 1023229716 /nfs/dbraw/zinc/22/97/16/1023229716.db2.gz OSEKZRXYGSJAIU-UHFFFAOYSA-N 1 0 326.362 4.143 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(Cl)s3)CC2)cc1 ZINC000376621937 1023246149 /nfs/dbraw/zinc/24/61/49/1023246149.db2.gz VZISBVQSIYMGFN-UHFFFAOYSA-N 1 0 331.872 4.032 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000178281757 1023322062 /nfs/dbraw/zinc/32/20/62/1023322062.db2.gz NOBBGOQTRHPVHQ-AWEZNQCLSA-N 1 0 331.362 4.151 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCC(CC)CC2)ccc1OC ZINC000236645883 1023397381 /nfs/dbraw/zinc/39/73/81/1023397381.db2.gz GFOZCSFAAYWJAZ-VMWRSERWSA-N 1 0 330.472 4.435 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549173469 1023421080 /nfs/dbraw/zinc/42/10/80/1023421080.db2.gz XFRYTXMRHBXVIC-INIZCTEOSA-N 1 0 338.373 4.121 20 30 EIEDRO CC(C)COc1ccccc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236654489 1023470251 /nfs/dbraw/zinc/47/02/51/1023470251.db2.gz NLQFFDPYYLFBDL-KRWDZBQOSA-N 1 0 338.451 4.302 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H](c1ccccc1)N(C)C ZINC000613664923 1023474984 /nfs/dbraw/zinc/47/49/84/1023474984.db2.gz XBJKMQWKEBKIIH-WQTXXOFMSA-N 1 0 333.479 4.217 20 30 EIEDRO N#CCSCCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276416278 1023476020 /nfs/dbraw/zinc/47/60/20/1023476020.db2.gz HSFXBMAGYHGWDH-GOSISDBHSA-N 1 0 340.496 4.251 20 30 EIEDRO N#CCSCCC[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000500164312 1023559471 /nfs/dbraw/zinc/55/94/71/1023559471.db2.gz LAGCYEUSKRLVLW-UHFFFAOYSA-N 1 0 326.868 4.247 20 30 EIEDRO COc1ccc2nc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)sc2c1 ZINC000418145191 1023560171 /nfs/dbraw/zinc/56/01/71/1023560171.db2.gz MJAFKHHHFMHOQR-KRWDZBQOSA-N 1 0 349.459 4.344 20 30 EIEDRO C=CCCOCC[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000090883798 1023611954 /nfs/dbraw/zinc/61/19/54/1023611954.db2.gz QXFGCYOOAKRFQP-OAHLLOKOSA-N 1 0 330.497 4.286 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(OCC#N)cc1 ZINC000377580414 1023615616 /nfs/dbraw/zinc/61/56/16/1023615616.db2.gz LKVQBPZMMHUROA-ZLGUVYLKSA-N 1 0 336.435 4.160 20 30 EIEDRO C=CC[C@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccncc1 ZINC000892972219 1023615634 /nfs/dbraw/zinc/61/56/34/1023615634.db2.gz GVBHTTGQRLMRCX-ZDUSSCGKSA-N 1 0 327.375 4.050 20 30 EIEDRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC(C)(C)CCC#N ZINC000584533671 1023640565 /nfs/dbraw/zinc/64/05/65/1023640565.db2.gz JGTSKMXYMBWWFC-LBPRGKRZSA-N 1 0 341.268 4.439 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(Cl)ccc2F)c1 ZINC000119222054 1023658509 /nfs/dbraw/zinc/65/85/09/1023658509.db2.gz UTKHXHBGYSVRSK-MRXNPFEDSA-N 1 0 332.806 4.450 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000684411386 1023663172 /nfs/dbraw/zinc/66/31/72/1023663172.db2.gz LCQBOUMWHZRLII-UHFFFAOYSA-N 1 0 334.463 4.157 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccc(F)cc1 ZINC000103469043 1023687860 /nfs/dbraw/zinc/68/78/60/1023687860.db2.gz KHCDZXSEYMDWBU-OAHLLOKOSA-N 1 0 339.414 4.109 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415586116 1023707825 /nfs/dbraw/zinc/70/78/25/1023707825.db2.gz VISOOSVIFIQLCU-DOTOQJQBSA-N 1 0 329.488 4.130 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)cc2)cc1 ZINC000728711553 1023739426 /nfs/dbraw/zinc/73/94/26/1023739426.db2.gz FHHLDTPQKMSKCF-MRXNPFEDSA-N 1 0 338.451 4.445 20 30 EIEDRO N#Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511659813 1023759807 /nfs/dbraw/zinc/75/98/07/1023759807.db2.gz XKGOKAXIRUYFTQ-GOSISDBHSA-N 1 0 345.368 4.263 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660447138 1023809011 /nfs/dbraw/zinc/80/90/11/1023809011.db2.gz OVZAQOIBSJFFOJ-HXUWFJFHSA-N 1 0 342.527 4.349 20 30 EIEDRO COCc1ccccc1/C=C(/C)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000511725386 1023839724 /nfs/dbraw/zinc/83/97/24/1023839724.db2.gz AOBDLVVYAHFMBC-ATVHPVEESA-N 1 0 332.447 4.387 20 30 EIEDRO Cc1nsc(NCc2ccccc2C[NH+]2CCC(C)CC2)c1C#N ZINC000341538892 1023840826 /nfs/dbraw/zinc/84/08/26/1023840826.db2.gz XSQKTOIIPCODMW-UHFFFAOYSA-N 1 0 340.496 4.167 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000135332407 1023844691 /nfs/dbraw/zinc/84/46/91/1023844691.db2.gz KELXWWKSDMFFHO-HZPDHXFCSA-N 1 0 338.451 4.105 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000175978434 1023860257 /nfs/dbraw/zinc/86/02/57/1023860257.db2.gz CMGCKNJYWOMFDW-HXUWFJFHSA-N 1 0 333.435 4.062 20 30 EIEDRO COc1cccc(/C=N\C2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1O ZINC000255386214 1023869571 /nfs/dbraw/zinc/86/95/71/1023869571.db2.gz JKYYPODIWUTBIQ-AABCQZNVSA-N 1 0 338.451 4.045 20 30 EIEDRO CC[NH+](CC)Cc1cccc(CNc2ccc(Cl)c(C#N)n2)c1 ZINC000301178722 1023871975 /nfs/dbraw/zinc/87/19/75/1023871975.db2.gz OFCHTPVNJCOCSV-UHFFFAOYSA-N 1 0 328.847 4.061 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511769122 1023876154 /nfs/dbraw/zinc/87/61/54/1023876154.db2.gz MMCOUKROULFSBA-IEBWSBKVSA-N 1 0 328.500 4.006 20 30 EIEDRO N#Cc1ccccc1OCC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000341575014 1023882250 /nfs/dbraw/zinc/88/22/50/1023882250.db2.gz PZHNHBGTVSBBFL-INIZCTEOSA-N 1 0 334.341 4.220 20 30 EIEDRO C=CCC[C@@H](NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1)c1ccccc1 ZINC000891697862 1023886175 /nfs/dbraw/zinc/88/61/75/1023886175.db2.gz PROFUAWJYXKVJB-NQIIRXRSSA-N 1 0 343.515 4.100 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511799195 1023890427 /nfs/dbraw/zinc/89/04/27/1023890427.db2.gz FSFDEABOGLUBQT-XYPHTWIQSA-N 1 0 335.373 4.375 20 30 EIEDRO C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000328863914 1023893494 /nfs/dbraw/zinc/89/34/94/1023893494.db2.gz VZXISZVDWCBLTB-CRAIPNDOSA-N 1 0 343.471 4.111 20 30 EIEDRO Cc1c(Cl)cnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C#N ZINC000544143813 1023944730 /nfs/dbraw/zinc/94/47/30/1023944730.db2.gz OJAILGBHUHSRDM-GOEBONIOSA-N 1 0 346.906 4.006 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000651740035 1023961328 /nfs/dbraw/zinc/96/13/28/1023961328.db2.gz OEZYPYLFYTYMNQ-PXNSSMCTSA-N 1 0 329.484 4.217 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]CCOCCC#N)c1cccc(C(F)(F)F)c1 ZINC000549536242 1023976171 /nfs/dbraw/zinc/97/61/71/1023976171.db2.gz QJCSIAUCNDJGCS-OAHLLOKOSA-N 1 0 328.378 4.312 20 30 EIEDRO N#CCC1(C[NH2+][C@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000430738837 1023998599 /nfs/dbraw/zinc/99/85/99/1023998599.db2.gz GMDAUBXOIMZNQD-AWEZNQCLSA-N 1 0 339.664 4.373 20 30 EIEDRO N#CCC1(C[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000430739172 1023997845 /nfs/dbraw/zinc/99/78/45/1023997845.db2.gz MXDPVSAVFJVWLJ-CYBMUJFWSA-N 1 0 325.239 4.491 20 30 EIEDRO N#Cc1ccc(F)cc1CN1CCC(c2nc3ccccc3o2)CC1 ZINC000158000155 1024042892 /nfs/dbraw/zinc/04/28/92/1024042892.db2.gz YLIZTZKXIHCDNW-UHFFFAOYSA-N 1 0 335.382 4.218 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001126063810 1024046928 /nfs/dbraw/zinc/04/69/28/1024046928.db2.gz XGLLLUOFLWFLET-OAQYLSRUSA-N 1 0 340.511 4.103 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277619 1024124282 /nfs/dbraw/zinc/12/42/82/1024124282.db2.gz IYXMIECYYPFGEX-UHFFFAOYSA-N 1 0 329.469 4.030 20 30 EIEDRO C[C@@H](CCc1c(F)cccc1F)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000510657771 1024188100 /nfs/dbraw/zinc/18/81/00/1024188100.db2.gz RACBEONAEHKYDM-AWEZNQCLSA-N 1 0 326.390 4.436 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000651700200 1024231782 /nfs/dbraw/zinc/23/17/82/1024231782.db2.gz XFZJFFRTYAJLRI-YLJYHZDGSA-N 1 0 329.484 4.217 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)C1 ZINC000651716664 1024253532 /nfs/dbraw/zinc/25/35/32/1024253532.db2.gz DRHJMCMZHRNCTH-ZVDOUQERSA-N 1 0 342.527 4.221 20 30 EIEDRO C[C@@H]([NH2+]C1CCN([C@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181762621 1024254195 /nfs/dbraw/zinc/25/41/95/1024254195.db2.gz BOGVICOLLYVZKM-QZTJIDSGSA-N 1 0 333.479 4.434 20 30 EIEDRO N#CC1(CCC[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)CCOCC1 ZINC000933817401 1024336887 /nfs/dbraw/zinc/33/68/87/1024336887.db2.gz AXMSLPITCALCHZ-UHFFFAOYSA-N 1 0 349.478 4.358 20 30 EIEDRO C=CCCCC[NH2+][C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000471897706 1024337516 /nfs/dbraw/zinc/33/75/16/1024337516.db2.gz SXLXGAZUBLUVHS-FQEVSTJZSA-N 1 0 338.451 4.321 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000341705714 1024366091 /nfs/dbraw/zinc/36/60/91/1024366091.db2.gz JOJPCODGEOKAES-FHZYATBESA-N 1 0 345.490 4.361 20 30 EIEDRO Cc1cccnc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905920 1024392128 /nfs/dbraw/zinc/39/21/28/1024392128.db2.gz GXRCOKYWISGFKV-UHFFFAOYSA-N 1 0 343.430 4.131 20 30 EIEDRO CCn1nc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c2ccccc21 ZINC000473146521 1024508017 /nfs/dbraw/zinc/50/80/17/1024508017.db2.gz MOSNFQNNTUPNLD-UHFFFAOYSA-N 1 0 332.451 4.338 20 30 EIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341757425 1024601666 /nfs/dbraw/zinc/60/16/66/1024601666.db2.gz JCHGAGGBDAOWFH-SZNDQCEHSA-N 1 0 333.435 4.245 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)CCCC1 ZINC000661861558 1024606311 /nfs/dbraw/zinc/60/63/11/1024606311.db2.gz CHXXQKNNNDRKKI-UHFFFAOYSA-N 1 0 327.255 4.410 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1OC(F)F ZINC000341758526 1024617348 /nfs/dbraw/zinc/61/73/48/1024617348.db2.gz QRHKSTPYOCSWBC-QGZVFWFLSA-N 1 0 328.362 4.327 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(OC(F)F)c1 ZINC000341802814 1024723715 /nfs/dbraw/zinc/72/37/15/1024723715.db2.gz HOQAEIJCQJDULQ-GOSISDBHSA-N 1 0 328.362 4.327 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000092261644 1024757094 /nfs/dbraw/zinc/75/70/94/1024757094.db2.gz XSTBLAMSRSVJDK-UHFFFAOYSA-N 1 0 349.434 4.145 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000662088184 1024855901 /nfs/dbraw/zinc/85/59/01/1024855901.db2.gz ZENWXKSIRHCLEG-IYBDPMFKSA-N 1 0 342.464 4.207 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc([S@](C)=O)cc1 ZINC000341889359 1024900119 /nfs/dbraw/zinc/90/01/19/1024900119.db2.gz RGDKTNLTCXSNPM-FDORUFNTSA-N 1 0 338.476 4.024 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000341930383 1024998902 /nfs/dbraw/zinc/99/89/02/1024998902.db2.gz LRDPYLUETXVRJN-UZLBHIALSA-N 1 0 326.484 4.073 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1ccccc1 ZINC000341950784 1025008029 /nfs/dbraw/zinc/00/80/29/1025008029.db2.gz YHIYMCJRTAQQPP-FQEVSTJZSA-N 1 0 340.442 4.081 20 30 EIEDRO N#CCN1CCC([NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000610813095 1025033323 /nfs/dbraw/zinc/03/33/23/1025033323.db2.gz ZLOUKGURQWTMQP-LBPRGKRZSA-N 1 0 344.311 4.010 20 30 EIEDRO C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)c1cccc(C#N)c1 ZINC000610830489 1025051545 /nfs/dbraw/zinc/05/15/45/1025051545.db2.gz WXRHYZMMRMANHR-DBXLBAIQSA-N 1 0 345.446 4.042 20 30 EIEDRO C[N@H+](Cc1csc(C#N)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000893567049 1025061810 /nfs/dbraw/zinc/06/18/10/1025061810.db2.gz JJGDVPSGLBLUMX-FUHWJXTLSA-N 1 0 330.428 4.111 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)ccc1OC(C)C ZINC000538152403 1025130845 /nfs/dbraw/zinc/13/08/45/1025130845.db2.gz BDPRBRLNMWKXEQ-AWEZNQCLSA-N 1 0 342.414 4.344 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCc2cccc(Br)c2)c(F)c1 ZINC000610946882 1025153269 /nfs/dbraw/zinc/15/32/69/1025153269.db2.gz QORIEAJBXUOYPU-UHFFFAOYSA-N 1 0 347.231 4.182 20 30 EIEDRO N#Cc1cc(C[N@H+]2CC=C(c3cccc4ccccc43)CC2)ccn1 ZINC000610992297 1025227355 /nfs/dbraw/zinc/22/73/55/1025227355.db2.gz SHKMSUINGIRDKB-UHFFFAOYSA-N 1 0 325.415 4.396 20 30 EIEDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC001167499325 1025337265 /nfs/dbraw/zinc/33/72/65/1025337265.db2.gz GMIPXAYMWMAASO-DYESRHJHSA-N 1 0 347.462 4.012 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]CCCC3CCCCC3)CC2)cc1 ZINC000538398118 1025390470 /nfs/dbraw/zinc/39/04/70/1025390470.db2.gz KDMCIPGSZQOHMR-UHFFFAOYSA-N 1 0 339.527 4.473 20 30 EIEDRO C=CCCCC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000472055727 1025544768 /nfs/dbraw/zinc/54/47/68/1025544768.db2.gz PVDUSKGXJXHDJY-UHFFFAOYSA-N 1 0 334.261 4.285 20 30 EIEDRO C=CCC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000426600432 1025733482 /nfs/dbraw/zinc/73/34/82/1025733482.db2.gz HVEXULRRTVCXBF-AZUAARDMSA-N 1 0 328.500 4.117 20 30 EIEDRO C=CCC[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000426600434 1025735453 /nfs/dbraw/zinc/73/54/53/1025735453.db2.gz HVEXULRRTVCXBF-QUCCMNQESA-N 1 0 328.500 4.117 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000342289109 1025790762 /nfs/dbraw/zinc/79/07/62/1025790762.db2.gz VSCKHIFPURWQHL-UHFFFAOYSA-N 1 0 344.440 4.138 20 30 EIEDRO Cn1c(C[NH2+]CC(C)(C)CCC#N)nc2cc(C(F)(F)F)ccc21 ZINC000342306077 1025818540 /nfs/dbraw/zinc/81/85/40/1025818540.db2.gz QCBYOBGFJSYFFI-UHFFFAOYSA-N 1 0 338.377 4.012 20 30 EIEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000585765122 1025828072 /nfs/dbraw/zinc/82/80/72/1025828072.db2.gz JFGMMACNLGWSIX-NPYCQEQBSA-N 1 0 332.447 4.336 20 30 EIEDRO C=CCc1cc(C[N@H+](CC=C)Cc2cccc(C#N)c2)cc(OC)c1O ZINC000512051748 1025847923 /nfs/dbraw/zinc/84/79/23/1025847923.db2.gz JNZNRHKJLQGKBC-UHFFFAOYSA-N 1 0 348.446 4.189 20 30 EIEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1cccc(C)c1)Cc1cccc(C#N)c1 ZINC000512058754 1025862074 /nfs/dbraw/zinc/86/20/74/1025862074.db2.gz OXIBJGMPFJLBNP-UHFFFAOYSA-N 1 0 342.446 4.445 20 30 EIEDRO C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1Cl ZINC000551583928 1026222597 /nfs/dbraw/zinc/22/25/97/1026222597.db2.gz XFDWAOMYERDTFY-NSHDSACASA-N 1 0 345.233 4.364 20 30 EIEDRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[NH+]1CCCCC#N ZINC000582145383 1026253651 /nfs/dbraw/zinc/25/36/51/1026253651.db2.gz DUJUULJERIQARF-GJZGRUSLSA-N 1 0 339.405 4.298 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCOC2CCCCC2)c(C(F)(F)F)c1 ZINC000584749445 1026356593 /nfs/dbraw/zinc/35/65/93/1026356593.db2.gz UKZTWSKKKXELCR-UHFFFAOYSA-N 1 0 340.389 4.406 20 30 EIEDRO Cc1ccc([C@@H](CC(=O)OC(C)C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000342468396 1026380234 /nfs/dbraw/zinc/38/02/34/1026380234.db2.gz ACKICCVHARKPGV-HXUWFJFHSA-N 1 0 336.435 4.039 20 30 EIEDRO Cc1nn(C(C)C)c(C)c1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000892245725 1026424191 /nfs/dbraw/zinc/42/41/91/1026424191.db2.gz FLXSCKNSZABMNK-UHFFFAOYSA-N 1 0 334.467 4.242 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000550262215 1026442882 /nfs/dbraw/zinc/44/28/82/1026442882.db2.gz WZSSLZDIDZJMIU-UHFFFAOYSA-N 1 0 343.833 4.109 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(F)c2cccnc12 ZINC000512204756 1026461943 /nfs/dbraw/zinc/46/19/43/1026461943.db2.gz VIUZDQVVZLTLPT-UHFFFAOYSA-N 1 0 340.398 4.038 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244661 1026569771 /nfs/dbraw/zinc/56/97/71/1026569771.db2.gz OSYJFAOBMLPHBW-AUSIDOKSSA-N 1 0 345.490 4.217 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000182160119 1026617518 /nfs/dbraw/zinc/61/75/18/1026617518.db2.gz BSRTZQCPEIETDD-YXKWSERDSA-N 1 0 328.362 4.017 20 30 EIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000582444090 1026644714 /nfs/dbraw/zinc/64/47/14/1026644714.db2.gz RKHJZQLMPSOBAT-UHFFFAOYSA-N 1 0 348.368 4.226 20 30 EIEDRO Clc1ccc(C#CC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000426991410 1026661926 /nfs/dbraw/zinc/66/19/26/1026661926.db2.gz MVMZAJWBPOAVGX-UHFFFAOYSA-N 1 0 349.865 4.447 20 30 EIEDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000582456530 1026664318 /nfs/dbraw/zinc/66/43/18/1026664318.db2.gz XEFVVSMUGABSCF-UXHICEINSA-N 1 0 339.870 4.091 20 30 EIEDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000427002189 1026674797 /nfs/dbraw/zinc/67/47/97/1026674797.db2.gz NJPXRSPYLTWJRB-WCQYABFASA-N 1 0 333.501 4.074 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC([C@H](F)c3ccccc3F)CC2)nc1 ZINC000563364855 1026678773 /nfs/dbraw/zinc/67/87/73/1026678773.db2.gz RHJJUYNRSGMQDN-IBGZPJMESA-N 1 0 327.378 4.015 20 30 EIEDRO CC(C)[N@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccc(C#N)cc1 ZINC000507173804 1026686114 /nfs/dbraw/zinc/68/61/14/1026686114.db2.gz OSTJDGZJJDAWFQ-UHFFFAOYSA-N 1 0 348.475 4.487 20 30 EIEDRO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000507172673 1026687212 /nfs/dbraw/zinc/68/72/12/1026687212.db2.gz GWXHKWBFGXGYCM-FNORWQNLSA-N 1 0 335.407 4.390 20 30 EIEDRO C=CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)CC)cc1OC ZINC000507189436 1026695420 /nfs/dbraw/zinc/69/54/20/1026695420.db2.gz VCSHVNKXJCVKNL-GFCCVEGCSA-N 1 0 342.277 4.253 20 30 EIEDRO CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119851752 1026700348 /nfs/dbraw/zinc/70/03/48/1026700348.db2.gz YRAVOUJURYDCNE-HNNXBMFYSA-N 1 0 334.423 4.433 20 30 EIEDRO CCCCCCCCCCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001625931410 1026824052 /nfs/dbraw/zinc/82/40/52/1026824052.db2.gz YENNEQQRMROVIQ-ROUUACIJSA-N 1 0 340.577 4.213 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCOCc2ccccc2)CC1 ZINC000507612957 1026854279 /nfs/dbraw/zinc/85/42/79/1026854279.db2.gz LSCBWQHFLHZAHF-UHFFFAOYSA-N 1 0 334.463 4.197 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507611096 1026854347 /nfs/dbraw/zinc/85/43/47/1026854347.db2.gz NMYLKCJGBYXNRT-QZTJIDSGSA-N 1 0 342.462 4.124 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000280795413 1026892997 /nfs/dbraw/zinc/89/29/97/1026892997.db2.gz JXAVTNCQPADFJQ-LXZKKBNFSA-N 1 0 343.496 4.145 20 30 EIEDRO CC(C)(C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C(F)(F)F ZINC000519708086 1026965248 /nfs/dbraw/zinc/96/52/48/1026965248.db2.gz PBCAOAIJZZSLTA-UHFFFAOYSA-N 1 0 347.274 4.445 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000519761298 1026989019 /nfs/dbraw/zinc/98/90/19/1026989019.db2.gz DOOKZIXUFDYAAM-ONIAQPFYSA-N 1 0 346.446 4.116 20 30 EIEDRO C[C@H]([NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C#N)cc1 ZINC000075802159 1027068494 /nfs/dbraw/zinc/06/84/94/1027068494.db2.gz XVKCTAJIWBATQI-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000342815984 1027122696 /nfs/dbraw/zinc/12/26/96/1027122696.db2.gz RYIQYMUZERTCLV-MRXNPFEDSA-N 1 0 328.419 4.084 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2nnc(-c3ccccc3Cl)s2)CC1 ZINC000302136354 1027229689 /nfs/dbraw/zinc/22/96/89/1027229689.db2.gz BHSVDAVOYIVEOX-UHFFFAOYSA-N 1 0 348.903 4.311 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)cc1 ZINC000237483277 1027235749 /nfs/dbraw/zinc/23/57/49/1027235749.db2.gz TYYPNTWKMVOWMM-IBGZPJMESA-N 1 0 348.490 4.014 20 30 EIEDRO CC[N@H+](CCC(=O)NCC1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000520196859 1027306294 /nfs/dbraw/zinc/30/62/94/1027306294.db2.gz GUDHGXHNVAPPSB-KRWDZBQOSA-N 1 0 341.499 4.028 20 30 EIEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000342857478 1027324201 /nfs/dbraw/zinc/32/42/01/1027324201.db2.gz MGEHIDWAUQMZEO-HXUWFJFHSA-N 1 0 344.462 4.399 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000520210977 1027336615 /nfs/dbraw/zinc/33/66/15/1027336615.db2.gz JLAXJVXRZKRPHW-IBGZPJMESA-N 1 0 344.886 4.297 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CCOCC1 ZINC000657633657 1027339936 /nfs/dbraw/zinc/33/99/36/1027339936.db2.gz UYAZJVXZJWUVGD-UHFFFAOYSA-N 1 0 331.790 4.156 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(Oc3cccnc3)c(C)c2)CCOCC1 ZINC000657633741 1027340313 /nfs/dbraw/zinc/34/03/13/1027340313.db2.gz VKHCQVQNYPHMIK-UHFFFAOYSA-N 1 0 338.451 4.397 20 30 EIEDRO C=CCC1([NH2+]Cc2cnc(CCc3ccccc3)s2)CCOCC1 ZINC000657634748 1027342628 /nfs/dbraw/zinc/34/26/28/1027342628.db2.gz PVDRWGUHIBLGJX-UHFFFAOYSA-N 1 0 342.508 4.143 20 30 EIEDRO C=CCC1([NH2+]Cc2sc(C)cc2Br)CCOCC1 ZINC000657634277 1027351816 /nfs/dbraw/zinc/35/18/16/1027351816.db2.gz GAMWPUANZBAFSO-UHFFFAOYSA-N 1 0 330.291 4.034 20 30 EIEDRO C=CCN(CC(=O)Nc1sc(C)c(C)c1C)Cc1cccs1 ZINC000441249448 1027382243 /nfs/dbraw/zinc/38/22/43/1027382243.db2.gz OPVFGYSAIZQHES-UHFFFAOYSA-N 1 0 334.510 4.362 20 30 EIEDRO C=CCN1CCC([NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000474707821 1027425332 /nfs/dbraw/zinc/42/53/32/1027425332.db2.gz KOBRBWASVAOYKX-UHFFFAOYSA-N 1 0 340.433 4.268 20 30 EIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC1CCC(C#N)CC1 ZINC000441386351 1027510858 /nfs/dbraw/zinc/51/08/58/1027510858.db2.gz PBFITMKAMCCOLC-UHFFFAOYSA-N 1 0 336.483 4.415 20 30 EIEDRO N#Cc1ccc(C(F)(F)F)c(N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000475509222 1027514271 /nfs/dbraw/zinc/51/42/71/1027514271.db2.gz OIFRJSCOOHWTSC-UHFFFAOYSA-N 1 0 337.389 4.032 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474800654 1027521331 /nfs/dbraw/zinc/52/13/31/1027521331.db2.gz IMQDCVZVLBFCSO-UHOFOFEASA-N 1 0 346.883 4.434 20 30 EIEDRO N#CC1(CCCC[N@@H+](CCO)[C@@H]2CCCc3ccccc32)CCC1 ZINC001167990350 1027565174 /nfs/dbraw/zinc/56/51/74/1027565174.db2.gz RFFIRNFBIGADQL-HXUWFJFHSA-N 1 0 326.484 4.222 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000544039514 1027572227 /nfs/dbraw/zinc/57/22/27/1027572227.db2.gz KTXHGKLHQAQBOO-QMMLZNLJSA-N 1 0 348.494 4.474 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000329115780 1027601390 /nfs/dbraw/zinc/60/13/90/1027601390.db2.gz IHMOYHLEJGBQHJ-SJLPKXTDSA-N 1 0 325.456 4.252 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894964639 1027610039 /nfs/dbraw/zinc/61/00/39/1027610039.db2.gz UEHLMPUDUYOCGH-QGZVFWFLSA-N 1 0 341.798 4.287 20 30 EIEDRO C[Si](C)(C)C#Cc1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)cc1 ZINC001167992810 1027654656 /nfs/dbraw/zinc/65/46/56/1027654656.db2.gz URIUBEDVUHBLLK-UHFFFAOYSA-N 1 0 325.463 4.086 20 30 EIEDRO CC(C)[C@@H](C(=O)Nc1csc(-c2ccccn2)n1)[NH+]1CCCCC1 ZINC000329275772 1027689181 /nfs/dbraw/zinc/68/91/81/1027689181.db2.gz JZXXKASIFQSPRW-INIZCTEOSA-N 1 0 344.484 4.304 20 30 EIEDRO Cc1ccc(NC(=[NH2+])NCCCCOCc2ccccc2)cc1C ZINC000303969099 1027713053 /nfs/dbraw/zinc/71/30/53/1027713053.db2.gz BMNGPRYHMRGGIF-UHFFFAOYSA-N 1 0 325.456 4.027 20 30 EIEDRO Cc1cc(C)cc(C2=CC[N@H+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000282008016 1027719404 /nfs/dbraw/zinc/71/94/04/1027719404.db2.gz ODPBSXRCGWZHLI-UHFFFAOYSA-N 1 0 338.495 4.493 20 30 EIEDRO C[C@H]1CCC[C@@H](C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000507746611 1027727013 /nfs/dbraw/zinc/72/70/13/1027727013.db2.gz DOVVHJPNKPOECD-HEZAVNPASA-N 1 0 327.472 4.059 20 30 EIEDRO CC(C)([C@@H]([NH2+]CCCCC#N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000347337575 1027786285 /nfs/dbraw/zinc/78/62/85/1027786285.db2.gz MBLYTQQVGZQAAB-SFHVURJKSA-N 1 0 335.442 4.164 20 30 EIEDRO N#C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@]12c1ccccc1NC2=O ZINC000328684221 1027795173 /nfs/dbraw/zinc/79/51/73/1027795173.db2.gz PONXAOYSMQMWKZ-QGCDCVKKSA-N 1 0 343.430 4.059 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000444594748 1027880380 /nfs/dbraw/zinc/88/03/80/1027880380.db2.gz HTMLIGZGMKNVEP-UHFFFAOYSA-N 1 0 331.479 4.053 20 30 EIEDRO COc1cccc([C@@H](C)N2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000444602838 1027886482 /nfs/dbraw/zinc/88/64/82/1027886482.db2.gz NBLNGYUXJLCNKL-GOSISDBHSA-N 1 0 343.515 4.094 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC000185797203 1027896321 /nfs/dbraw/zinc/89/63/21/1027896321.db2.gz BUCHNEAHUKEBTP-YJBOKZPZSA-N 1 0 332.875 4.060 20 30 EIEDRO CO[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CC[C@H]1C ZINC000444677134 1027956967 /nfs/dbraw/zinc/95/69/67/1027956967.db2.gz VTCVTLBVKSOGQP-KNQAVFIVSA-N 1 0 348.490 4.243 20 30 EIEDRO C=CC[C@H]1[N@H+](Cc2nnc(-c3ccc(OC)cc3)o2)CCCC1(C)C ZINC000444784973 1028071295 /nfs/dbraw/zinc/07/12/95/1028071295.db2.gz WZQIBBKSVKSARV-QGZVFWFLSA-N 1 0 341.455 4.312 20 30 EIEDRO C=CCC(CC=C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000128190468 1028113340 /nfs/dbraw/zinc/11/33/40/1028113340.db2.gz VQLFXXLNXYIYMP-UHFFFAOYSA-N 1 0 344.524 4.251 20 30 EIEDRO CSc1nc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)ccc1C#N ZINC001141948085 1028152954 /nfs/dbraw/zinc/15/29/54/1028152954.db2.gz MKWUDJUYWWPRTA-SFHVURJKSA-N 1 0 341.455 4.021 20 30 EIEDRO CCc1ccc2c(c1)[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)C(=O)N2 ZINC000329945735 1028162404 /nfs/dbraw/zinc/16/24/04/1028162404.db2.gz FZVVFNGHLQJNFQ-MRXNPFEDSA-N 1 0 343.471 4.013 20 30 EIEDRO Cc1nc(CN2CCC(CNC(=O)[C@@H]3CC34CCCC4)CC2)oc1C ZINC000329968385 1028169131 /nfs/dbraw/zinc/16/91/31/1028169131.db2.gz TXCMAWCXSISOJD-KRWDZBQOSA-N 1 0 345.487 4.040 20 30 EIEDRO Cc1ccc(-n2cccn2)cc1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000330006112 1028178430 /nfs/dbraw/zinc/17/84/30/1028178430.db2.gz DUNFMLXFDNUONE-IBGZPJMESA-N 1 0 338.455 4.176 20 30 EIEDRO Cc1nc(C2CC2)oc1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000330041118 1028191659 /nfs/dbraw/zinc/19/16/59/1028191659.db2.gz GBJMCJLVJBXAJI-UHFFFAOYSA-N 1 0 333.476 4.210 20 30 EIEDRO COc1cc(CNc2cc(C[NH+]3CCCC3)ccc2C)ccc1C#N ZINC000440615489 1028220246 /nfs/dbraw/zinc/22/02/46/1028220246.db2.gz QCOAPXXXKZATKJ-UHFFFAOYSA-N 1 0 335.451 4.083 20 30 EIEDRO O=C(C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)NC1CCCCC1 ZINC000330269148 1028240787 /nfs/dbraw/zinc/24/07/87/1028240787.db2.gz RSMDNDYKIBMULZ-SJLPKXTDSA-N 1 0 336.863 4.049 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000330267453 1028242722 /nfs/dbraw/zinc/24/27/22/1028242722.db2.gz QNVSWXVSEXJORQ-ULKVUYOBSA-N 1 0 343.254 4.127 20 30 EIEDRO C=C(Br)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC001167659876 1028260385 /nfs/dbraw/zinc/26/03/85/1028260385.db2.gz WFXYACSQYNHXAU-SJORKVTESA-N 1 0 338.289 4.263 20 30 EIEDRO Cc1cc([C@@H]([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])C2CC2)ccc1F ZINC000583207075 1028262478 /nfs/dbraw/zinc/26/24/78/1028262478.db2.gz LHMPTJPIUQPRFY-IBGZPJMESA-N 1 0 339.370 4.155 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1nc(C(F)(F)F)ccc1C#N)CC(C)C ZINC000523755415 1028355264 /nfs/dbraw/zinc/35/52/64/1028355264.db2.gz YNUTZFMZSJUVKI-CQSZACIVSA-N 1 0 342.409 4.140 20 30 EIEDRO N#CC1(CCC[N@H+](Cc2ccco2)Cc2cccs2)CCOCC1 ZINC000281151560 1028415699 /nfs/dbraw/zinc/41/56/99/1028415699.db2.gz BKLCMMMSGXLVSN-UHFFFAOYSA-N 1 0 344.480 4.444 20 30 EIEDRO COC1CC[NH+](C2(CNc3cc(Cl)ccc3C#N)CCCC2)CC1 ZINC000346401837 1028422483 /nfs/dbraw/zinc/42/24/83/1028422483.db2.gz MTEBVOUEFAVKGD-UHFFFAOYSA-N 1 0 347.890 4.047 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000150873562 1028426904 /nfs/dbraw/zinc/42/69/04/1028426904.db2.gz UUUOJBIMZODZAK-UHFFFAOYSA-N 1 0 343.496 4.087 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000523927534 1028470035 /nfs/dbraw/zinc/47/00/35/1028470035.db2.gz DRFDSFNBTCMRHG-GOSISDBHSA-N 1 0 347.503 4.129 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(F)c(F)c1 ZINC000281335049 1028523843 /nfs/dbraw/zinc/52/38/43/1028523843.db2.gz MDBSKKGZGRBETF-GOSISDBHSA-N 1 0 334.410 4.272 20 30 EIEDRO CC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccc(F)cc1F ZINC000346578869 1028524452 /nfs/dbraw/zinc/52/44/52/1028524452.db2.gz XHHFOMCEFKAQFX-GFCCVEGCSA-N 1 0 347.274 4.220 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000281475036 1028637028 /nfs/dbraw/zinc/63/70/28/1028637028.db2.gz VBHFGVOPBLLTON-QGZVFWFLSA-N 1 0 344.455 4.323 20 30 EIEDRO CCN(CCC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1)CC(F)(F)F ZINC000544403357 1028648268 /nfs/dbraw/zinc/64/82/68/1028648268.db2.gz MNGHJVMTTGPKHP-HNNXBMFYSA-N 1 0 341.421 4.215 20 30 EIEDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000583396828 1028656355 /nfs/dbraw/zinc/65/63/55/1028656355.db2.gz INEPJYVVZCWKDE-CQSZACIVSA-N 1 0 326.390 4.436 20 30 EIEDRO CC(C)[C@H](C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000548792885 1028681530 /nfs/dbraw/zinc/68/15/30/1028681530.db2.gz ZMZOKRDMPGWLCC-FQEVSTJZSA-N 1 0 333.479 4.379 20 30 EIEDRO Cc1ccc(C#N)c(NCc2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000346824658 1028693697 /nfs/dbraw/zinc/69/36/97/1028693697.db2.gz GMWGNQKTDRKWBG-UHFFFAOYSA-N 1 0 334.467 4.250 20 30 EIEDRO Cc1ccc(C#N)c(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)n1 ZINC000346858168 1028798700 /nfs/dbraw/zinc/79/87/00/1028798700.db2.gz ZIIWYHODWHZFOM-QGZVFWFLSA-N 1 0 340.496 4.208 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000281598901 1028800032 /nfs/dbraw/zinc/80/00/32/1028800032.db2.gz FRVDXYGNELVQOT-UHFFFAOYSA-N 1 0 328.847 4.150 20 30 EIEDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2CCC(C#N)CC2)cn1 ZINC000281583622 1028801285 /nfs/dbraw/zinc/80/12/85/1028801285.db2.gz DLGWMWNTUGRKCE-UHFFFAOYSA-N 1 0 334.467 4.269 20 30 EIEDRO COc1ccc(C2([NH2+]Cc3ccc(C#N)c(OC)c3)CCCC2)cc1 ZINC000440821036 1028805585 /nfs/dbraw/zinc/80/55/85/1028805585.db2.gz MAYDKZSHTCAJKS-UHFFFAOYSA-N 1 0 336.435 4.135 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000583503378 1028818828 /nfs/dbraw/zinc/81/88/28/1028818828.db2.gz ZNJWIKMMJJRWFU-FQEVSTJZSA-N 1 0 335.407 4.488 20 30 EIEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000281676434 1028834100 /nfs/dbraw/zinc/83/41/00/1028834100.db2.gz REDJXEFTERVIRQ-QWHCGFSZSA-N 1 0 328.378 4.367 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000281747843 1028850981 /nfs/dbraw/zinc/85/09/81/1028850981.db2.gz QVSXSWBPLSMXSI-UHFFFAOYSA-N 1 0 328.790 4.361 20 30 EIEDRO COc1cc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)ccc1C#N ZINC000440834322 1028854148 /nfs/dbraw/zinc/85/41/48/1028854148.db2.gz VBLNJMNOIXOOJD-UHFFFAOYSA-N 1 0 333.435 4.263 20 30 EIEDRO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000728569734 1028866828 /nfs/dbraw/zinc/86/68/28/1028866828.db2.gz KUCIVRLGIFPYSG-NQIIRXRSSA-N 1 0 338.426 4.297 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)c1ccc(C#N)cc1 ZINC000281809892 1028872575 /nfs/dbraw/zinc/87/25/75/1028872575.db2.gz YXHOMFWSYJZVON-INIZCTEOSA-N 1 0 349.356 4.135 20 30 EIEDRO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281876124 1028903701 /nfs/dbraw/zinc/90/37/01/1028903701.db2.gz CPGNIGBDFMIAOL-APWZRJJASA-N 1 0 330.447 4.309 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000278365568 1029012676 /nfs/dbraw/zinc/01/26/76/1029012676.db2.gz BSDFJUAIMHIZKE-PVTKRXDGSA-N 1 0 327.255 4.087 20 30 EIEDRO CC1=C[C@H](C)C[C@@H](C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000583722259 1029089053 /nfs/dbraw/zinc/08/90/53/1029089053.db2.gz OYQAJKMOZASXGK-GXSXNRCDSA-N 1 0 339.483 4.225 20 30 EIEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000444254144 1029113543 /nfs/dbraw/zinc/11/35/43/1029113543.db2.gz VTWUETOWGPQCRO-DOTOQJQBSA-N 1 0 345.512 4.141 20 30 EIEDRO CCOc1cc(C[NH2+]Cc2ccc(CC#N)cc2)cc(Cl)c1OC ZINC000583752708 1029127135 /nfs/dbraw/zinc/12/71/35/1029127135.db2.gz YVZSYYQIRFQHMC-UHFFFAOYSA-N 1 0 344.842 4.103 20 30 EIEDRO C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168053325 1029156883 /nfs/dbraw/zinc/15/68/83/1029156883.db2.gz NSVGKQCQMCINNC-BBIADKPPSA-N 1 0 347.506 4.432 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000246964521 1029212046 /nfs/dbraw/zinc/21/20/46/1029212046.db2.gz IZWADGLHYZDIMZ-KSZLIROESA-N 1 0 343.515 4.194 20 30 EIEDRO C[C@@H](c1ccco1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000131039694 1029273907 /nfs/dbraw/zinc/27/39/07/1029273907.db2.gz FANIPQFOTWCPLT-INIZCTEOSA-N 1 0 334.423 4.250 20 30 EIEDRO CC[C@@H](C)[N@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000524907152 1029322907 /nfs/dbraw/zinc/32/29/07/1029322907.db2.gz ACUTVUZYALPDJG-QGZVFWFLSA-N 1 0 338.451 4.246 20 30 EIEDRO C=CCCC[N@@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000523007635 1029344594 /nfs/dbraw/zinc/34/45/94/1029344594.db2.gz SRWWCUAALYLBKR-UHFFFAOYSA-N 1 0 336.479 4.132 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000340490876 1029399515 /nfs/dbraw/zinc/39/95/15/1029399515.db2.gz QXZFZUCVMKEFSP-KRWDZBQOSA-N 1 0 346.352 4.466 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000475263675 1029479030 /nfs/dbraw/zinc/47/90/30/1029479030.db2.gz CROKFNZTFQKVBQ-JSGCOSHPSA-N 1 0 329.362 4.033 20 30 EIEDRO Cc1cnccc1OC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000278571683 1029523863 /nfs/dbraw/zinc/52/38/63/1029523863.db2.gz JGHGMFOJOWJJQB-UHFFFAOYSA-N 1 0 349.478 4.235 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000584024988 1029542069 /nfs/dbraw/zinc/54/20/69/1029542069.db2.gz ITRPBXJTBYBZGI-ICSRJNTNSA-N 1 0 328.500 4.007 20 30 EIEDRO N#Cc1cc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)ccc1F ZINC000536203459 1029566993 /nfs/dbraw/zinc/56/69/93/1029566993.db2.gz JYEHKIFKQXZUTR-KRWDZBQOSA-N 1 0 330.790 4.004 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CCOC2)cc1 ZINC000367360816 1029582641 /nfs/dbraw/zinc/58/26/41/1029582641.db2.gz LBJJVFGVAFJAEM-ICSRJNTNSA-N 1 0 325.839 4.189 20 30 EIEDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807122 1029639847 /nfs/dbraw/zinc/63/98/47/1029639847.db2.gz HXVSQEBORBMCNM-KRWDZBQOSA-N 1 0 344.462 4.242 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)Cc1ccc(C#N)cc1 ZINC000052825577 1029642322 /nfs/dbraw/zinc/64/23/22/1029642322.db2.gz PTTRERBQTOCMFK-UHFFFAOYSA-N 1 0 349.478 4.334 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(OC(F)F)c1 ZINC000192975029 1029653637 /nfs/dbraw/zinc/65/36/37/1029653637.db2.gz LBCGNSKMSALALQ-ZDUSSCGKSA-N 1 0 332.350 4.041 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)C1 ZINC000278658484 1029656063 /nfs/dbraw/zinc/65/60/63/1029656063.db2.gz QHCJGZUGENZSGC-DOMZBBRYSA-N 1 0 329.831 4.353 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+]C1CCN(C(=O)c2ccc(OCC)cc2)CC1 ZINC000159157640 1029663502 /nfs/dbraw/zinc/66/35/02/1029663502.db2.gz LRKVZJONOYXGIK-GOSISDBHSA-N 1 0 344.499 4.024 20 30 EIEDRO CCCCCCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278699296 1029709229 /nfs/dbraw/zinc/70/92/29/1029709229.db2.gz QPUWGIRMHGEIFY-UHFFFAOYSA-N 1 0 339.487 4.309 20 30 EIEDRO C=CC[NH+]1CCC(Nc2ccc3cc(Br)ccc3n2)CC1 ZINC000301412079 1029728173 /nfs/dbraw/zinc/72/81/73/1029728173.db2.gz YSRODESTIIYJAV-UHFFFAOYSA-N 1 0 346.272 4.060 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000340535373 1029800948 /nfs/dbraw/zinc/80/09/48/1029800948.db2.gz MPBIDISLUQSWOV-HXUWFJFHSA-N 1 0 338.476 4.164 20 30 EIEDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000181576028 1029903777 /nfs/dbraw/zinc/90/37/77/1029903777.db2.gz ROEHAZHKFRGEIW-NYVOZVTQSA-N 1 0 333.479 4.142 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCC(F)(F)F)c1 ZINC000525708173 1029947337 /nfs/dbraw/zinc/94/73/37/1029947337.db2.gz NJQAMXDDZOSHQD-UHFFFAOYSA-N 1 0 334.341 4.179 20 30 EIEDRO CC[N@H+](Cc1cncn1Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000525833001 1030053793 /nfs/dbraw/zinc/05/37/93/1030053793.db2.gz YKQQIOJLHVXBPZ-GOSISDBHSA-N 1 0 344.462 4.386 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]3c3ccccc3)o2)c1 ZINC000525837828 1030058482 /nfs/dbraw/zinc/05/84/82/1030058482.db2.gz ZEIDZVVRXGNXCU-RBUKOAKNSA-N 1 0 344.418 4.034 20 30 EIEDRO C=CC[C@@H](CO)[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000184288033 1030067608 /nfs/dbraw/zinc/06/76/08/1030067608.db2.gz BJVLWFATYJWINJ-NSHDSACASA-N 1 0 343.279 4.144 20 30 EIEDRO CCC[N@H+](Cc1cnc(N(CC)CC)s1)Cc1ccc(C#N)cc1 ZINC000508599998 1030099414 /nfs/dbraw/zinc/09/94/14/1030099414.db2.gz NZCOGBRYDPIXEY-UHFFFAOYSA-N 1 0 342.512 4.273 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447516746 1030111629 /nfs/dbraw/zinc/11/16/29/1030111629.db2.gz HUNRUIQNUZRKGK-MOPGFXCFSA-N 1 0 339.508 4.498 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1OC1CCCC1 ZINC000447532844 1030135819 /nfs/dbraw/zinc/13/58/19/1030135819.db2.gz VTCJNYKRAZEQLQ-DOTOQJQBSA-N 1 0 328.456 4.189 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(C#N)cc1 ZINC000447533586 1030136755 /nfs/dbraw/zinc/13/67/55/1030136755.db2.gz RUAFIGMGIHFKPA-HXUWFJFHSA-N 1 0 344.462 4.413 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000450960606 1030138017 /nfs/dbraw/zinc/13/80/17/1030138017.db2.gz SAEVGBHMLINLBJ-TUNNFDKTSA-N 1 0 340.511 4.393 20 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/nfs/dbraw/zinc/23/52/97/1030235297.db2.gz CXFJURQEDYUKIX-ZDUSSCGKSA-N 1 0 339.464 4.177 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc(C)c1OCC(F)(F)F ZINC000429724545 1030240191 /nfs/dbraw/zinc/24/01/91/1030240191.db2.gz MYMZTKZSTXDNKI-GOEBONIOSA-N 1 0 340.389 4.369 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(C2CC2)c1 ZINC000451118889 1030246506 /nfs/dbraw/zinc/24/65/06/1030246506.db2.gz ZDXYOXFCHLGHHH-QGZVFWFLSA-N 1 0 347.462 4.161 20 30 EIEDRO CC[N@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3ccc(C(C)C)cc32)C1 ZINC000447681660 1030268907 /nfs/dbraw/zinc/26/89/07/1030268907.db2.gz QJQNNICZMHQGPE-INIZCTEOSA-N 1 0 336.483 4.008 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000447686261 1030274339 /nfs/dbraw/zinc/27/43/39/1030274339.db2.gz POPFXJXEEVXSJD-LAUBAEHRSA-N 1 0 348.494 4.150 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC(C[NH+](C)C)CC3)c2c1 ZINC000447694226 1030277084 /nfs/dbraw/zinc/27/70/84/1030277084.db2.gz QCWIGCZXNXVQJF-UHFFFAOYSA-N 1 0 336.483 4.008 20 30 EIEDRO CC(C)(C#N)CCC[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000451153148 1030279469 /nfs/dbraw/zinc/27/94/69/1030279469.db2.gz ZCAHWEDRKUVZRR-UHFFFAOYSA-N 1 0 326.362 4.494 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000451178822 1030287266 /nfs/dbraw/zinc/28/72/66/1030287266.db2.gz BCTMAIQTRXFACZ-MBOZVWFJSA-N 1 0 347.462 4.153 20 30 EIEDRO CCC(=O)CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000685418353 1030294254 /nfs/dbraw/zinc/29/42/54/1030294254.db2.gz BNMODWBZUDGHMQ-UHFFFAOYSA-N 1 0 338.426 4.459 20 30 EIEDRO CCC1([NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCCC1 ZINC000451277807 1030364601 /nfs/dbraw/zinc/36/46/01/1030364601.db2.gz STHHQKOZUOVQRU-HNNXBMFYSA-N 1 0 345.512 4.189 20 30 EIEDRO CC(C)(C)CC[C@@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000475669577 1030370719 /nfs/dbraw/zinc/37/07/19/1030370719.db2.gz IASKZLUWXHQOKB-SCCNAQOGSA-N 1 0 328.500 4.167 20 30 EIEDRO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000127528286 1030457731 /nfs/dbraw/zinc/45/77/31/1030457731.db2.gz OJLDOIPWEUMHFX-FVJLSDCUSA-N 1 0 349.478 4.255 20 30 EIEDRO COC[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1CCCC1 ZINC000527109998 1030471680 /nfs/dbraw/zinc/47/16/80/1030471680.db2.gz ZFSJKODPCCKYEK-SOAGJPPSSA-N 1 0 342.483 4.043 20 30 EIEDRO Cc1nc([C@@H]2CCCN2Cc2ccc(O[C@@H](C)C#N)cc2)cs1 ZINC000189939165 1030523945 /nfs/dbraw/zinc/52/39/45/1030523945.db2.gz QUQXIDJDVLPUOD-UGSOOPFHSA-N 1 0 327.453 4.080 20 30 EIEDRO Cc1nc([C@@H]2CCCN2Cc2ccc(N(C)CCC#N)cc2)cs1 ZINC000189926537 1030524558 /nfs/dbraw/zinc/52/45/58/1030524558.db2.gz ZJFJLWBSXZSVBO-IBGZPJMESA-N 1 0 340.496 4.139 20 30 EIEDRO C=CCCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000448031844 1030528770 /nfs/dbraw/zinc/52/87/70/1030528770.db2.gz VMBJOFVBQZSKLS-KRWDZBQOSA-N 1 0 338.289 4.473 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cccc(F)c1F ZINC000121932781 1030537174 /nfs/dbraw/zinc/53/71/74/1030537174.db2.gz ULBKNXMLDNOIPO-CQSZACIVSA-N 1 0 330.378 4.498 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000657929148 1030618670 /nfs/dbraw/zinc/61/86/70/1030618670.db2.gz CPSTULGZGOZJHZ-QFUCXCTJSA-N 1 0 327.516 4.332 20 30 EIEDRO COc1ccc(C[C@@H](C)[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000546653702 1030662536 /nfs/dbraw/zinc/66/25/36/1030662536.db2.gz IRMYLOSUSRXKES-MRXNPFEDSA-N 1 0 340.492 4.021 20 30 EIEDRO C=C(C)[C@H]([NH2+][C@@H](COC)CC1CCOCC1)c1ccc(F)c(F)c1 ZINC000657983343 1030744108 /nfs/dbraw/zinc/74/41/08/1030744108.db2.gz SMHYQLJXIPACTA-APWZRJJASA-N 1 0 339.426 4.003 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000527523553 1030746068 /nfs/dbraw/zinc/74/60/68/1030746068.db2.gz FNJLUDGLLCTLOD-MNNVXMFVSA-N 1 0 327.472 4.202 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000658013248 1030766456 /nfs/dbraw/zinc/76/64/56/1030766456.db2.gz GJOKYIMLXYNNTJ-ARFHVFGLSA-N 1 0 346.437 4.044 20 30 EIEDRO C=CCCn1cc(C[N@@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)nn1 ZINC000653563659 1030783619 /nfs/dbraw/zinc/78/36/19/1030783619.db2.gz XRDKIYFETAKHSO-CABCVRRESA-N 1 0 332.879 4.132 20 30 EIEDRO Clc1ccc(C#CC[NH2+]C2(Cc3ccccc3)CCOCC2)cc1 ZINC000451942158 1030790713 /nfs/dbraw/zinc/79/07/13/1030790713.db2.gz RCYCDPOVQIKTJX-UHFFFAOYSA-N 1 0 339.866 4.073 20 30 EIEDRO CC1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)CC1 ZINC000176966126 1030809632 /nfs/dbraw/zinc/80/96/32/1030809632.db2.gz GRHNEZJRGDAHJQ-UHFFFAOYSA-N 1 0 325.481 4.146 20 30 EIEDRO COc1ccc(C[NH2+]CC[C@@H]2CC=CCC2)cc1OCCCC#N ZINC000527791359 1030849638 /nfs/dbraw/zinc/84/96/38/1030849638.db2.gz VBESVURWPQKLSM-QGZVFWFLSA-N 1 0 328.456 4.214 20 30 EIEDRO Cc1cc(C)c(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1C ZINC000527808787 1030854721 /nfs/dbraw/zinc/85/47/21/1030854721.db2.gz CULVYWHFKWAOHW-UHFFFAOYSA-N 1 0 334.463 4.279 20 30 EIEDRO Cc1cc(Cl)ccc1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000527811614 1030856954 /nfs/dbraw/zinc/85/69/54/1030856954.db2.gz PKBMESREPPGFRL-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO C=CCN(CCc1ccccc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000065774634 1030859967 /nfs/dbraw/zinc/85/99/67/1030859967.db2.gz AEXVROQZXJKRHL-UHFFFAOYSA-N 1 0 348.490 4.153 20 30 EIEDRO CC(C)[N@H+](Cc1cnc(-c2ccccc2)[nH]1)Cc1ccc(C#N)cc1 ZINC000179319762 1030898413 /nfs/dbraw/zinc/89/84/13/1030898413.db2.gz KAKKPWHNTPMMIC-UHFFFAOYSA-N 1 0 330.435 4.359 20 30 EIEDRO CC[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC001307519758 1030973688 /nfs/dbraw/zinc/97/36/88/1030973688.db2.gz IDDGNSSCTDINFU-DENIHFKCSA-N 1 0 334.463 4.453 20 30 EIEDRO COCCC1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000527933002 1030980164 /nfs/dbraw/zinc/98/01/64/1030980164.db2.gz GYZPEHWZKQPJQO-UHFFFAOYSA-N 1 0 326.484 4.139 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2c[nH]c3cc(Cl)ccc23)c(F)c1 ZINC000610946842 1031096724 /nfs/dbraw/zinc/09/67/24/1031096724.db2.gz CTJVAFGFQSKTEC-UHFFFAOYSA-N 1 0 327.790 4.164 20 30 EIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(C#N)cc1F ZINC000532567971 1031299130 /nfs/dbraw/zinc/29/91/30/1031299130.db2.gz MWYHKUVCMOLTSH-SFHVURJKSA-N 1 0 347.821 4.083 20 30 EIEDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000532569254 1031305076 /nfs/dbraw/zinc/30/50/76/1031305076.db2.gz UHSLEIGGYHHSJE-CQSZACIVSA-N 1 0 344.455 4.224 20 30 EIEDRO Cc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc(OC(F)(F)F)c1 ZINC001143462499 1031317850 /nfs/dbraw/zinc/31/78/50/1031317850.db2.gz MITIBKLUSQGSHL-UHFFFAOYSA-N 1 0 346.352 4.324 20 30 EIEDRO C[C@H](c1cccc(-c2ccncc2)c1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000364510726 1031327379 /nfs/dbraw/zinc/32/73/79/1031327379.db2.gz WATBMCILXJYSKN-MRXNPFEDSA-N 1 0 330.435 4.152 20 30 EIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC1CCC(C)(C#N)CC1 ZINC000449055097 1031406035 /nfs/dbraw/zinc/40/60/35/1031406035.db2.gz STLNHEWVKYKUSJ-UHFFFAOYSA-N 1 0 343.540 4.428 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000449084961 1031415047 /nfs/dbraw/zinc/41/50/47/1031415047.db2.gz JWCCIEBZWPKQDW-UHFFFAOYSA-N 1 0 326.362 4.146 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000449077211 1031432763 /nfs/dbraw/zinc/43/27/63/1031432763.db2.gz YDEXQFHMDNBHCO-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000449120293 1031457508 /nfs/dbraw/zinc/45/75/08/1031457508.db2.gz CJOMZUUOLXZPFM-INIZCTEOSA-N 1 0 333.520 4.228 20 30 EIEDRO Cc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000449197768 1031543826 /nfs/dbraw/zinc/54/38/26/1031543826.db2.gz XNKXQTDBEWLVEE-SCCNAQOGSA-N 1 0 342.483 4.115 20 30 EIEDRO CC[C@@H](CC#N)[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449241662 1031577993 /nfs/dbraw/zinc/57/79/93/1031577993.db2.gz BVONXDFWUZVBQL-YDGIUTOCSA-N 1 0 325.225 4.116 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccccc1Br)c1ccc(C#N)cc1 ZINC000548936623 1031604371 /nfs/dbraw/zinc/60/43/71/1031604371.db2.gz IPKYDFZSKWRGRJ-CYBMUJFWSA-N 1 0 345.240 4.050 20 30 EIEDRO C=CC[N@H+](CCC(=O)Nc1ccccc1Cl)CCc1ccccc1 ZINC000065959594 1031620580 /nfs/dbraw/zinc/62/05/80/1031620580.db2.gz GUXNLULHBSJJOA-UHFFFAOYSA-N 1 0 342.870 4.399 20 30 EIEDRO C(#Cc1ccccc1)C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528578911 1031641366 /nfs/dbraw/zinc/64/13/66/1031641366.db2.gz RVBWNSIWMVGOIN-UHFFFAOYSA-N 1 0 349.478 4.033 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC000449368106 1031663749 /nfs/dbraw/zinc/66/37/49/1031663749.db2.gz CWRVKFPAVGSFFC-UHFFFAOYSA-N 1 0 338.354 4.297 20 30 EIEDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)CO2 ZINC000453232138 1031750694 /nfs/dbraw/zinc/75/06/94/1031750694.db2.gz GYWCOFUTVYTIBR-ICSRJNTNSA-N 1 0 336.435 4.023 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453239488 1031761728 /nfs/dbraw/zinc/76/17/28/1031761728.db2.gz XBVPNLPGVDREHO-MSOLQXFVSA-N 1 0 334.891 4.350 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cc(Br)ccc32)C1 ZINC000453284674 1031805561 /nfs/dbraw/zinc/80/55/61/1031805561.db2.gz BJKZXAQAJIPTDV-YLQAJVPDSA-N 1 0 333.273 4.498 20 30 EIEDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000449498630 1031807164 /nfs/dbraw/zinc/80/71/64/1031807164.db2.gz SEWVUBGOVHUKFW-RHSMWYFYSA-N 1 0 340.389 4.118 20 30 EIEDRO COC[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000453311361 1031835273 /nfs/dbraw/zinc/83/52/73/1031835273.db2.gz CCCQYRLBVJBYEE-RDTXWAMCSA-N 1 0 328.843 4.292 20 30 EIEDRO Cc1ccc(CCC[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)cc1 ZINC000528778705 1031847693 /nfs/dbraw/zinc/84/76/93/1031847693.db2.gz LXSZYUSTWDOMBH-UHFFFAOYSA-N 1 0 334.463 4.095 20 30 EIEDRO C=CCC1(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CCCC1 ZINC000449607549 1031869377 /nfs/dbraw/zinc/86/93/77/1031869377.db2.gz YEKLERCGHUQEIE-OAHLLOKOSA-N 1 0 330.472 4.441 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000453352035 1031879646 /nfs/dbraw/zinc/87/96/46/1031879646.db2.gz KOSIFZWTASFQCG-CZUORRHYSA-N 1 0 346.471 4.243 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000449619430 1031881879 /nfs/dbraw/zinc/88/18/79/1031881879.db2.gz CIWZEKPWXJFXGQ-SJLPKXTDSA-N 1 0 329.465 4.323 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000449732943 1031959143 /nfs/dbraw/zinc/95/91/43/1031959143.db2.gz MWLVEEYLAZJNCV-UKRRQHHQSA-N 1 0 331.872 4.484 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(OCC3CCCCC3)CC2)ccc1F ZINC000532090168 1032019494 /nfs/dbraw/zinc/01/94/94/1032019494.db2.gz KEJRDLUIEUOECR-UHFFFAOYSA-N 1 0 330.447 4.259 20 30 EIEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C1=CCCC1 ZINC000453579343 1032025516 /nfs/dbraw/zinc/02/55/16/1032025516.db2.gz JVWMXDDDTSNXJB-UHFFFAOYSA-N 1 0 349.482 4.085 20 30 EIEDRO COCC[N@H+](Cc1ccc(C)o1)Cc1ccccc1C(C)(C)C#N ZINC000135288933 1032027854 /nfs/dbraw/zinc/02/78/54/1032027854.db2.gz QHRWGKXSOQBTBQ-UHFFFAOYSA-N 1 0 326.440 4.038 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H](OCC2CC2)c2ccc(Cl)cc2)cc1 ZINC000512570870 1033380815 /nfs/dbraw/zinc/38/08/15/1033380815.db2.gz ZZFCUNNHBQLRQZ-FQEVSTJZSA-N 1 0 340.854 4.469 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCn2ccc3cc(Cl)ccc32)c(F)c1 ZINC000512580813 1033428218 /nfs/dbraw/zinc/42/82/18/1033428218.db2.gz DSCQSQKRPHFNPL-UHFFFAOYSA-N 1 0 327.790 4.095 20 30 EIEDRO COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512610806 1033491707 /nfs/dbraw/zinc/49/17/07/1033491707.db2.gz FCFKHLOABJQYCA-PJSUUKDQSA-N 1 0 342.414 4.133 20 30 EIEDRO CCc1ccccc1NC(=O)CN(C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159644 1033529488 /nfs/dbraw/zinc/52/94/88/1033529488.db2.gz LBGXFVIVGXPNIH-UHFFFAOYSA-N 1 0 349.478 4.121 20 30 EIEDRO CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)CCO2 ZINC000614160754 1033532419 /nfs/dbraw/zinc/53/24/19/1033532419.db2.gz CWVZIGWAIPTXNN-BFUOFWGJSA-N 1 0 340.398 4.270 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCC[C@@H](CC)C2)ccc1OC ZINC000236944030 1033549645 /nfs/dbraw/zinc/54/96/45/1033549645.db2.gz LOMYRBLJEQCDII-NXHRZFHOSA-N 1 0 330.472 4.435 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614174130 1033568151 /nfs/dbraw/zinc/56/81/51/1033568151.db2.gz IPANCAOAUXIAPR-DBXWQHBBSA-N 1 0 339.527 4.325 20 30 EIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C12CCC2 ZINC000614174555 1033570828 /nfs/dbraw/zinc/57/08/28/1033570828.db2.gz ZLUSCTALUIVBQG-MOPGFXCFSA-N 1 0 326.484 4.267 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512634197 1033572524 /nfs/dbraw/zinc/57/25/24/1033572524.db2.gz BTEFTEPDFXGKTF-NQCMUKECSA-N 1 0 330.378 4.263 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512637193 1033582408 /nfs/dbraw/zinc/58/24/08/1033582408.db2.gz SMJPMMBYUTWENW-DNVCBOLYSA-N 1 0 341.430 4.168 20 30 EIEDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176279 1033585252 /nfs/dbraw/zinc/58/52/52/1033585252.db2.gz SBHIKRVXGBQXRU-OAQYLSRUSA-N 1 0 336.479 4.261 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccc(C#N)cc1F ZINC000512641579 1033592156 /nfs/dbraw/zinc/59/21/56/1033592156.db2.gz IMGMMHQICWOUGQ-ZDUSSCGKSA-N 1 0 340.398 4.054 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512641067 1033595890 /nfs/dbraw/zinc/59/58/90/1033595890.db2.gz CWKOTIVYXIZTHJ-AWEZNQCLSA-N 1 0 342.414 4.346 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000614179909 1033606084 /nfs/dbraw/zinc/60/60/84/1033606084.db2.gz RIZRSILKBDWWTE-MOPGFXCFSA-N 1 0 326.484 4.126 20 30 EIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000614179720 1033609733 /nfs/dbraw/zinc/60/97/33/1033609733.db2.gz KVZIVOHVTKKPMS-HNNXBMFYSA-N 1 0 335.451 4.297 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(C#N)cc1F ZINC000512649984 1033610044 /nfs/dbraw/zinc/61/00/44/1033610044.db2.gz WBSNCVHDXHLEGD-RVHYNSKXSA-N 1 0 338.426 4.486 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(C#N)cc1F ZINC000512653290 1033621127 /nfs/dbraw/zinc/62/11/27/1033621127.db2.gz DLKIYUAZNWRGKP-LSDHHAIUSA-N 1 0 334.398 4.295 20 30 EIEDRO N#CCCC[C@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccccc1 ZINC000433013824 1033654079 /nfs/dbraw/zinc/65/40/79/1033654079.db2.gz ZOGICZDTLPTNEW-FQEVSTJZSA-N 1 0 341.499 4.098 20 30 EIEDRO Cc1cccc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1C ZINC000433015352 1033655749 /nfs/dbraw/zinc/65/57/49/1033655749.db2.gz WSHYDAAHICESLJ-HXUWFJFHSA-N 1 0 335.451 4.267 20 30 EIEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000433031455 1033697565 /nfs/dbraw/zinc/69/75/65/1033697565.db2.gz NPTBDWRNMPCATR-KRWDZBQOSA-N 1 0 341.842 4.303 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000433083073 1033810863 /nfs/dbraw/zinc/81/08/63/1033810863.db2.gz NOILQSNBHOWIHZ-IAGOWNOFSA-N 1 0 337.442 4.265 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Oc1ccccc1C ZINC000236990078 1033892945 /nfs/dbraw/zinc/89/29/45/1033892945.db2.gz DUQGLXLDLMWQBF-HKUYNNGSSA-N 1 0 338.451 4.233 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433176647 1033989700 /nfs/dbraw/zinc/98/97/00/1033989700.db2.gz RDVARKAWKUQDCA-IBGZPJMESA-N 1 0 336.479 4.258 20 30 EIEDRO C=CCOc1ccccc1CNc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000433181332 1033999784 /nfs/dbraw/zinc/99/97/84/1033999784.db2.gz LDDSKYLFKNOONT-IBGZPJMESA-N 1 0 338.451 4.249 20 30 EIEDRO C=C(C)COc1cc(CNCC[N@H+]2CCCC[C@H]2CC)ccc1OC ZINC000500899202 1034001918 /nfs/dbraw/zinc/00/19/18/1034001918.db2.gz ZHTDKMKLKRAHLJ-LJQANCHMSA-N 1 0 346.515 4.004 20 30 EIEDRO Fc1cc(C[NH2+]CC2(C(F)(F)F)CC2)ccc1OCC(F)(F)F ZINC000512868810 1034101939 /nfs/dbraw/zinc/10/19/39/1034101939.db2.gz IZHHYNIJASOYCR-UHFFFAOYSA-N 1 0 345.258 4.199 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)Cc1ccccc1 ZINC000433281253 1034151016 /nfs/dbraw/zinc/15/10/16/1034151016.db2.gz IAXGGARQPHHIET-UHFFFAOYSA-N 1 0 326.415 4.151 20 30 EIEDRO C=CCOc1ccccc1C[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000513056284 1034378710 /nfs/dbraw/zinc/37/87/10/1034378710.db2.gz HYFRWWVMNGHULD-UHFFFAOYSA-N 1 0 341.455 4.137 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000664108479 1034429343 /nfs/dbraw/zinc/42/93/43/1034429343.db2.gz DVXBYFMUFHAEPW-YTQUADARSA-N 1 0 341.499 4.008 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OCCC(C)C ZINC000549925316 1034674482 /nfs/dbraw/zinc/67/44/82/1034674482.db2.gz POAFYTKSCMLKQZ-XYJFISCASA-N 1 0 330.472 4.463 20 30 EIEDRO N#CC1(c2ccc(Br)cc2)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167938333 1034769062 /nfs/dbraw/zinc/76/90/62/1034769062.db2.gz DQGINQGZBRPBOT-HALDLXJZSA-N 1 0 345.284 4.105 20 30 EIEDRO CC(C)c1cccc(NC(=[NH2+])N[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000261714194 1034845979 /nfs/dbraw/zinc/84/59/79/1034845979.db2.gz KGKTZFHONVSSBU-LFPIHBKWSA-N 1 0 343.496 4.035 20 30 EIEDRO C=CCOc1cccc(C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000513412801 1034931719 /nfs/dbraw/zinc/93/17/19/1034931719.db2.gz CNQLDIRWTZPXGP-LJQANCHMSA-N 1 0 333.435 4.048 20 30 EIEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000513412844 1034931761 /nfs/dbraw/zinc/93/17/61/1034931761.db2.gz DAXTZWPPKNHLJP-LJQANCHMSA-N 1 0 333.435 4.048 20 30 EIEDRO Fc1cc(F)c(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1F ZINC000430024863 1035013517 /nfs/dbraw/zinc/01/35/17/1035013517.db2.gz JKGROYGDICEYQT-SFYZADRCSA-N 1 0 329.259 4.454 20 30 EIEDRO N#CCC1(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000430025082 1035014492 /nfs/dbraw/zinc/01/44/92/1035014492.db2.gz VSXLEJWMYVSZLX-UHFFFAOYSA-N 1 0 341.842 4.097 20 30 EIEDRO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000280196101 1035194755 /nfs/dbraw/zinc/19/47/55/1035194755.db2.gz SMZFWPGPTSSKQW-SFHVURJKSA-N 1 0 349.478 4.156 20 30 EIEDRO COc1cc(C#N)ccc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000501208720 1035399873 /nfs/dbraw/zinc/39/98/73/1035399873.db2.gz YBPFPJQREURNLV-UHFFFAOYSA-N 1 0 333.435 4.097 20 30 EIEDRO C=CCC[N@@H+](C)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000467297262 1035510028 /nfs/dbraw/zinc/51/00/28/1035510028.db2.gz FQTLAJOBQURVDM-UHFFFAOYSA-N 1 0 338.451 4.102 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3sccc3Cl)CCOCC2)c1 ZINC000594980259 1035515841 /nfs/dbraw/zinc/51/58/41/1035515841.db2.gz NYMMTIQSXXHLDC-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO CC(C)[C@H](O)[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594988710 1035517937 /nfs/dbraw/zinc/51/79/37/1035517937.db2.gz BVZORDGWFHMMDN-RTWAWAEBSA-N 1 0 336.479 4.336 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cc(Br)cs1 ZINC000595055862 1035536362 /nfs/dbraw/zinc/53/63/62/1035536362.db2.gz KYRKVAMGHQDIOP-LLVKDONJSA-N 1 0 335.270 4.276 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccnc1N1CCCC1 ZINC000595064752 1035543635 /nfs/dbraw/zinc/54/36/35/1035543635.db2.gz FQWPVNSNSBQCMG-OAQYLSRUSA-N 1 0 346.478 4.111 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000595073587 1035554658 /nfs/dbraw/zinc/55/46/58/1035554658.db2.gz NWIJTHKJQRRPSM-BZNIZROVSA-N 1 0 344.352 4.238 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Br)c(Cl)c1 ZINC000595043043 1035565461 /nfs/dbraw/zinc/56/54/61/1035565461.db2.gz FCTVGYLXZSLAMN-JFGNBEQYSA-N 1 0 327.653 4.445 20 30 EIEDRO CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000595041628 1035565818 /nfs/dbraw/zinc/56/58/18/1035565818.db2.gz MSUJZANCUYLJCS-UAGQMJEPSA-N 1 0 335.289 4.442 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000595076095 1035592941 /nfs/dbraw/zinc/59/29/41/1035592941.db2.gz DPUHUJBHLXYLBA-ZBFHGGJFSA-N 1 0 333.273 4.054 20 30 EIEDRO COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000595090140 1035600850 /nfs/dbraw/zinc/60/08/50/1035600850.db2.gz DBMIQLKCUSEJNE-OAQYLSRUSA-N 1 0 349.478 4.438 20 30 EIEDRO N#CC1(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CCCCC1 ZINC000595092091 1035601809 /nfs/dbraw/zinc/60/18/09/1035601809.db2.gz WFAUXGPVFPVGKJ-QGZVFWFLSA-N 1 0 325.481 4.491 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]CCc2ccc(C#N)cc2)cc1 ZINC000595416486 1035672480 /nfs/dbraw/zinc/67/24/80/1035672480.db2.gz YIMRFIHGXPJPFE-MRXNPFEDSA-N 1 0 340.492 4.190 20 30 EIEDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595485936 1035683387 /nfs/dbraw/zinc/68/33/87/1035683387.db2.gz ZNCAEJPSSFPVOW-HUUCEWRRSA-N 1 0 328.403 4.341 20 30 EIEDRO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1cccs1 ZINC000593023350 1035688089 /nfs/dbraw/zinc/68/80/89/1035688089.db2.gz QTDAUKAYWXQVFM-HNNXBMFYSA-N 1 0 329.425 4.405 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000158211766 1035711437 /nfs/dbraw/zinc/71/14/37/1035711437.db2.gz YXNYXKFKJMELGG-WEYGHZABSA-N 1 0 335.447 4.270 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(Br)cc32)C1 ZINC000595619402 1035735652 /nfs/dbraw/zinc/73/56/52/1035735652.db2.gz AGBXNTUVUMLKAZ-CXAGYDPISA-N 1 0 333.273 4.452 20 30 EIEDRO COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H](CC#N)C3)CCC2)c1 ZINC000595619985 1035738684 /nfs/dbraw/zinc/73/86/84/1035738684.db2.gz IUPGACMZLXKSLF-SFHVURJKSA-N 1 0 342.483 4.008 20 30 EIEDRO CC(C)([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000595635888 1035740346 /nfs/dbraw/zinc/74/03/46/1035740346.db2.gz OGIXPUOLOFKBID-UHFFFAOYSA-N 1 0 341.842 4.065 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C1 ZINC000595615129 1035750251 /nfs/dbraw/zinc/75/02/51/1035750251.db2.gz PAHYAUKPZWXDJH-OAHLLOKOSA-N 1 0 340.389 4.490 20 30 EIEDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000595643304 1035754172 /nfs/dbraw/zinc/75/41/72/1035754172.db2.gz XHNUYQZSCTVXGO-GJZGRUSLSA-N 1 0 347.528 4.291 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670371 1035759872 /nfs/dbraw/zinc/75/98/72/1035759872.db2.gz CHDSWOAVTHQXCV-IBGZPJMESA-N 1 0 334.891 4.351 20 30 EIEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccc1F ZINC000595686263 1035762116 /nfs/dbraw/zinc/76/21/16/1035762116.db2.gz UXZAIXOYOHOOPE-HXUWFJFHSA-N 1 0 339.414 4.013 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC000595676571 1035764231 /nfs/dbraw/zinc/76/42/31/1035764231.db2.gz PSZJWFHTULPWGV-FQEVSTJZSA-N 1 0 349.434 4.097 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595786943 1035792728 /nfs/dbraw/zinc/79/27/28/1035792728.db2.gz CZFSVEWGFVXQTJ-AZUAARDMSA-N 1 0 326.484 4.269 20 30 EIEDRO C=CC[C@]1(C(=O)Nc2cccc(CSC(C)C)c2C)CCC[NH2+]1 ZINC000595939438 1035806835 /nfs/dbraw/zinc/80/68/35/1035806835.db2.gz IVSCOUWSCFJKPP-LJQANCHMSA-N 1 0 332.513 4.273 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)ccn1 ZINC000586776379 1035834644 /nfs/dbraw/zinc/83/46/44/1035834644.db2.gz GPLZCPFOHWLIHH-MSOLQXFVSA-N 1 0 345.368 4.398 20 30 EIEDRO CN(CCC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1)Cc1ccco1 ZINC000586788407 1035848372 /nfs/dbraw/zinc/84/83/72/1035848372.db2.gz DBIRYZLRFGOKKV-UHFFFAOYSA-N 1 0 339.483 4.035 20 30 EIEDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)cc1OCCCC#N ZINC000414487545 1035934764 /nfs/dbraw/zinc/93/47/64/1035934764.db2.gz SLYGYMOHQYXGRH-MOPGFXCFSA-N 1 0 342.483 4.294 20 30 EIEDRO FC(F)C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccccc1 ZINC000421001496 1035940922 /nfs/dbraw/zinc/94/09/22/1035940922.db2.gz XCIZEIFIBUWVDT-LLVKDONJSA-N 1 0 347.274 4.187 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)c1ccsc1 ZINC000421003238 1035943524 /nfs/dbraw/zinc/94/35/24/1035943524.db2.gz GVVTYMOYFHKLOI-CYBMUJFWSA-N 1 0 347.509 4.481 20 30 EIEDRO CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000761192375 1036005817 /nfs/dbraw/zinc/00/58/17/1036005817.db2.gz MFIAVKZNGUWEPQ-HNNXBMFYSA-N 1 0 345.487 4.244 20 30 EIEDRO CC[NH+](CC)[C@H](CNC(=O)CC1(C#N)CCCCC1)c1ccsc1 ZINC000596793514 1036019812 /nfs/dbraw/zinc/01/98/12/1036019812.db2.gz JNPMVBNWFIMGBR-QGZVFWFLSA-N 1 0 347.528 4.111 20 30 EIEDRO CCC(CC)C[N@H+](CCC#N)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000596995490 1036073531 /nfs/dbraw/zinc/07/35/31/1036073531.db2.gz IKJVYHBLYQRQNY-FQEVSTJZSA-N 1 0 330.472 4.006 20 30 EIEDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000597117145 1036108515 /nfs/dbraw/zinc/10/85/15/1036108515.db2.gz JCVKTUPZDFLOGJ-FQEVSTJZSA-N 1 0 334.463 4.091 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CCc3cccc(Cl)c3)CCOCC2)c1 ZINC000597209361 1036156945 /nfs/dbraw/zinc/15/69/45/1036156945.db2.gz AMAFSHDVOLWSLU-UHFFFAOYSA-N 1 0 340.854 4.050 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)CC1 ZINC000597236367 1036166613 /nfs/dbraw/zinc/16/66/13/1036166613.db2.gz QFXQDWFEEYSJTL-ZUWRSVMXSA-N 1 0 346.449 4.458 20 30 EIEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000502511249 1036277820 /nfs/dbraw/zinc/27/78/20/1036277820.db2.gz LVXBQYBOKKAQFG-HXUWFJFHSA-N 1 0 339.414 4.013 20 30 EIEDRO C=CCC1([NH2+][C@H](C)Cc2ccc(Br)cc2)CCOCC1 ZINC000668551683 1036279657 /nfs/dbraw/zinc/27/96/57/1036279657.db2.gz UKVZHPRJHHJTHD-CQSZACIVSA-N 1 0 338.289 4.095 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000588232559 1036307804 /nfs/dbraw/zinc/30/78/04/1036307804.db2.gz NFNUEDVEXCDLIO-HKUYNNGSSA-N 1 0 328.843 4.028 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)c(OC(C)(C)C)c1 ZINC000421371438 1036319161 /nfs/dbraw/zinc/31/91/61/1036319161.db2.gz XRSOTVJUKXRDSG-UHFFFAOYSA-N 1 0 326.415 4.473 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)cc1F ZINC000421357270 1036334195 /nfs/dbraw/zinc/33/41/95/1036334195.db2.gz NBDWSRONDMXJNI-INIZCTEOSA-N 1 0 336.332 4.208 20 30 EIEDRO N#CCc1cccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000056042545 1036365655 /nfs/dbraw/zinc/36/56/55/1036365655.db2.gz RTHNHTMJDMJTCB-UHFFFAOYSA-N 1 0 347.462 4.033 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000602501026 1036459298 /nfs/dbraw/zinc/45/92/98/1036459298.db2.gz CEBKSAKAONSLEL-KSSFIOAISA-N 1 0 332.875 4.480 20 30 EIEDRO N#CCCC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000572244213 1036469998 /nfs/dbraw/zinc/46/99/98/1036469998.db2.gz KFDVGFRYKAEYHL-UHFFFAOYSA-N 1 0 344.352 4.283 20 30 EIEDRO CCCCOc1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602517206 1036474443 /nfs/dbraw/zinc/47/44/43/1036474443.db2.gz XWIVKRKZMSJKLK-KRWDZBQOSA-N 1 0 330.472 4.054 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)c1ccc(Cl)cc1 ZINC000602517998 1036474497 /nfs/dbraw/zinc/47/44/97/1036474497.db2.gz JDLMVJPWWUVACS-OAHLLOKOSA-N 1 0 334.891 4.306 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000602502714 1036480040 /nfs/dbraw/zinc/48/00/40/1036480040.db2.gz IGJKYKFRGWPSEX-CYBMUJFWSA-N 1 0 341.282 4.224 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000602508029 1036484077 /nfs/dbraw/zinc/48/40/77/1036484077.db2.gz KWQYTAAKHLJOBL-RBBKRZOGSA-N 1 0 331.463 4.016 20 30 EIEDRO N#CC1CCC([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)CC1 ZINC000602511965 1036487534 /nfs/dbraw/zinc/48/75/34/1036487534.db2.gz SSJGKXRVLYDAOB-JMLCCBQJSA-N 1 0 349.881 4.288 20 30 EIEDRO COc1ccc([C@@H]([NH2+]C[C@@H](C)CCC#N)c2ccc(F)cc2)cc1 ZINC000602536605 1036488691 /nfs/dbraw/zinc/48/86/91/1036488691.db2.gz UUISKWQRIQKPAQ-YWZLYKJASA-N 1 0 326.415 4.453 20 30 EIEDRO COc1ccc([C@H]([NH2+]C[C@@H](C)CCC#N)c2ccc(F)cc2)cc1 ZINC000602536603 1036490380 /nfs/dbraw/zinc/49/03/80/1036490380.db2.gz UUISKWQRIQKPAQ-MGPUTAFESA-N 1 0 326.415 4.453 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cccc(C(F)(F)F)c1 ZINC000602525488 1036492968 /nfs/dbraw/zinc/49/29/68/1036492968.db2.gz BRKLNPHKDZAGDX-QGZVFWFLSA-N 1 0 333.357 4.459 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000602552184 1036496625 /nfs/dbraw/zinc/49/66/25/1036496625.db2.gz GMHNKAOWHDUZBQ-MDCZIUGASA-N 1 0 348.450 4.067 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000602567911 1036499325 /nfs/dbraw/zinc/49/93/25/1036499325.db2.gz HBFUQRDQOABTHF-GOSISDBHSA-N 1 0 326.484 4.088 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000602570485 1036501021 /nfs/dbraw/zinc/50/10/21/1036501021.db2.gz ACZKHRPLTHYBTQ-QLFBSQMISA-N 1 0 332.410 4.044 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000602591151 1036503723 /nfs/dbraw/zinc/50/37/23/1036503723.db2.gz FRRIUPXNCVTJMD-KKXNLOMOSA-N 1 0 326.484 4.401 20 30 EIEDRO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602579667 1036508627 /nfs/dbraw/zinc/50/86/27/1036508627.db2.gz ABAOCYSMISAGKU-ZENOOKHLSA-N 1 0 339.277 4.055 20 30 EIEDRO CC(C)[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)Cc1ccccc1 ZINC000602630920 1036543688 /nfs/dbraw/zinc/54/36/88/1036543688.db2.gz PDEYTYAPXZAVSL-QUCCMNQESA-N 1 0 328.500 4.190 20 30 EIEDRO N#CC1CCC([NH2+]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000602652383 1036545230 /nfs/dbraw/zinc/54/52/30/1036545230.db2.gz XTXJFZNRHHUASD-DNOPENIRSA-N 1 0 332.875 4.480 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000602670808 1036548170 /nfs/dbraw/zinc/54/81/70/1036548170.db2.gz GMQSSHMZVWJMRB-JKIFEVAISA-N 1 0 340.389 4.407 20 30 EIEDRO COC(=O)c1csc(C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000602672606 1036550607 /nfs/dbraw/zinc/55/06/07/1036550607.db2.gz ZHJIXNXIBWSIBM-QGZVFWFLSA-N 1 0 328.437 4.059 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602671836 1036553682 /nfs/dbraw/zinc/55/36/82/1036553682.db2.gz KHGSLSBIQCLDQK-CPUCHLNUSA-N 1 0 340.389 4.407 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)n1 ZINC000602658375 1036556187 /nfs/dbraw/zinc/55/61/87/1036556187.db2.gz VOZUZRHUMPLVAD-NNUKFRKNSA-N 1 0 332.234 4.296 20 30 EIEDRO COCC[C@H]([NH2+]C[C@@H](C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000602682573 1036569689 /nfs/dbraw/zinc/56/96/89/1036569689.db2.gz MKWIQPPRKOXDCX-BBRMVZONSA-N 1 0 328.378 4.312 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000602724060 1036596613 /nfs/dbraw/zinc/59/66/13/1036596613.db2.gz GKNQEQXSIVORGE-LRDDRELGSA-N 1 0 328.287 4.126 20 30 EIEDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000602733920 1036599342 /nfs/dbraw/zinc/59/93/42/1036599342.db2.gz GDXAKSUWXHTODS-VIFPVBQESA-N 1 0 325.359 4.193 20 30 EIEDRO N#CC1(c2ccc(C[NH+]3CCC(Cc4nccs4)CC3)cc2)CC1 ZINC000602732287 1036600181 /nfs/dbraw/zinc/60/01/81/1036600181.db2.gz HCFAWDZNNXLYJG-UHFFFAOYSA-N 1 0 337.492 4.153 20 30 EIEDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000602733893 1036600814 /nfs/dbraw/zinc/60/08/14/1036600814.db2.gz GDXAKSUWXHTODS-SECBINFHSA-N 1 0 325.359 4.193 20 30 EIEDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000588959502 1036623199 /nfs/dbraw/zinc/62/31/99/1036623199.db2.gz DDZKOLSNWMOPLO-INIZCTEOSA-N 1 0 330.790 4.136 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cnc(C(=O)OCC)s1)c1ccccc1 ZINC000602808809 1036630648 /nfs/dbraw/zinc/63/06/48/1036630648.db2.gz ZRAVSLSSUVLLPG-MRXNPFEDSA-N 1 0 330.453 4.117 20 30 EIEDRO CC(C)(C)c1csc(CC2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000602893707 1036663103 /nfs/dbraw/zinc/66/31/03/1036663103.db2.gz SVHFLVIIDSQYOU-CVEARBPZSA-N 1 0 331.529 4.387 20 30 EIEDRO Cc1cc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)c2ccccc2n1 ZINC000602909818 1036664028 /nfs/dbraw/zinc/66/40/28/1036664028.db2.gz PGYCDZWVQHACJJ-UHFFFAOYSA-N 1 0 342.446 4.190 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000060952842 1036695050 /nfs/dbraw/zinc/69/50/50/1036695050.db2.gz HJQIQBWPGNZRML-UHFFFAOYSA-N 1 0 338.414 4.187 20 30 EIEDRO Cc1c2ccccc2oc1[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(C)C ZINC000598603586 1036705572 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CCCc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000598645451 1036735154 /nfs/dbraw/zinc/73/51/54/1036735154.db2.gz DXYQDWBRGNMNKO-UHFFFAOYSA-N 1 0 340.492 4.368 20 30 EIEDRO CO[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Cl)cc1 ZINC000589341683 1036738519 /nfs/dbraw/zinc/73/85/19/1036738519.db2.gz GNGHLKGJPHOUFC-RBUKOAKNSA-N 1 0 326.827 4.176 20 30 EIEDRO CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000589336553 1036740066 /nfs/dbraw/zinc/74/00/66/1036740066.db2.gz OZHWAXWXUVRQHS-HXUWFJFHSA-N 1 0 333.435 4.074 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1OC ZINC000668627919 1036748790 /nfs/dbraw/zinc/74/87/90/1036748790.db2.gz NRUOAKVVJJZHML-OALUTQOASA-N 1 0 345.483 4.041 20 30 EIEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000502867342 1036752074 /nfs/dbraw/zinc/75/20/74/1036752074.db2.gz MAHSXTYTAFNLDJ-OAGGEKHMSA-N 1 0 345.512 4.045 20 30 EIEDRO C[N@H+](Cc1ccccc1NC[C@@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598725421 1036761515 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EIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000486780924 1036850358 /nfs/dbraw/zinc/85/03/58/1036850358.db2.gz LQPSDGQFWDWRRG-KRWDZBQOSA-N 1 0 345.512 4.383 20 30 EIEDRO C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC(C)(C)CC#N ZINC000599049596 1036855390 /nfs/dbraw/zinc/85/53/90/1036855390.db2.gz PSWUZAJWCQYXIM-SNVBAGLBSA-N 1 0 333.785 4.214 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)c(C#N)c1C ZINC000027449500 1036855541 /nfs/dbraw/zinc/85/55/41/1036855541.db2.gz PWBYUCWTQGZWCL-RDTXWAMCSA-N 1 0 339.439 4.082 20 30 EIEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000486808381 1036859999 /nfs/dbraw/zinc/85/99/99/1036859999.db2.gz BSJFJIWQEMDEOA-GUYCJALGSA-N 1 0 333.863 4.051 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000486807874 1036864430 /nfs/dbraw/zinc/86/44/30/1036864430.db2.gz AKAHUDPAGSGMKO-OAQYLSRUSA-N 1 0 348.490 4.321 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000589738934 1036871961 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C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1OCCc2sccc21 ZINC000590024809 1036931066 /nfs/dbraw/zinc/93/10/66/1036931066.db2.gz OBZIDRHZHSHKOV-AUUYWEPGSA-N 1 0 340.492 4.341 20 30 EIEDRO CC[C@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)c1ccc(C#N)cc1 ZINC000593721790 1036937542 /nfs/dbraw/zinc/93/75/42/1036937542.db2.gz LVBUPYNWIVZZFE-LEWJYISDSA-N 1 0 344.462 4.316 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000593725961 1036945398 /nfs/dbraw/zinc/94/53/98/1036945398.db2.gz SWRBVQWSROBXRN-HXOBKFHXSA-N 1 0 345.490 4.361 20 30 EIEDRO Cc1csc([C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C2CC2)n1 ZINC000174541848 1036960906 /nfs/dbraw/zinc/96/09/06/1036960906.db2.gz MOCXIKQWBIFNEN-SFHVURJKSA-N 1 0 341.480 4.375 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccccc1Oc1ccccc1 ZINC000599350750 1036962525 /nfs/dbraw/zinc/96/25/25/1036962525.db2.gz ZBJIJOATUABBMD-IRXDYDNUSA-N 1 0 336.435 4.184 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccccc1Oc1ccccc1 ZINC000599350748 1036963861 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EIEDRO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc([S@](C)=O)cc1 ZINC000271848850 1037033422 /nfs/dbraw/zinc/03/34/22/1037033422.db2.gz VNEYVRAGUUIOFX-OWJWWREXSA-N 1 0 340.492 4.076 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C(F)(F)F ZINC000603894784 1037080258 /nfs/dbraw/zinc/08/02/58/1037080258.db2.gz KHWCPWILSUTGIM-UHFFFAOYSA-N 1 0 348.368 4.226 20 30 EIEDRO C=CCC1([NH2+]Cc2csc(CC(=O)OC(C)C)n2)CCCCC1 ZINC000599609589 1037098216 /nfs/dbraw/zinc/09/82/16/1037098216.db2.gz KTFNRNNTAKFLIC-UHFFFAOYSA-N 1 0 336.501 4.006 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)CCCCC1 ZINC000599610462 1037098864 /nfs/dbraw/zinc/09/88/64/1037098864.db2.gz QPSZRZRYTDWLNV-UHFFFAOYSA-N 1 0 331.847 4.019 20 30 EIEDRO CCCCN(C(=O)c1ccc(C#N)s1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000487319637 1037114315 /nfs/dbraw/zinc/11/43/15/1037114315.db2.gz MNMFZTJCTRZGEG-UHFFFAOYSA-N 1 0 347.528 4.171 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000669829114 1037114721 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C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2[nH]c(=O)oc2c1 ZINC000591348972 1037389539 /nfs/dbraw/zinc/38/95/39/1037389539.db2.gz VEJIZOSBIZKPNR-PXAZEXFGSA-N 1 0 333.391 4.133 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC000591348053 1037390164 /nfs/dbraw/zinc/39/01/64/1037390164.db2.gz ZATDKSMCRAQWLP-LJQANCHMSA-N 1 0 339.370 4.163 20 30 EIEDRO Cc1cn2c(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)c(C)nc2s1 ZINC000591357585 1037393316 /nfs/dbraw/zinc/39/33/16/1037393316.db2.gz SAKVOWGDDFXQFZ-QGZVFWFLSA-N 1 0 336.464 4.052 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000045796835 1037451212 /nfs/dbraw/zinc/45/12/12/1037451212.db2.gz JTEJLPYFAIYAPL-UHFFFAOYSA-N 1 0 334.463 4.111 20 30 EIEDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573413351 1037499333 /nfs/dbraw/zinc/49/93/33/1037499333.db2.gz VOQKNELQJCILPH-XJKSGUPXSA-N 1 0 340.389 4.093 20 30 EIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)cc1 ZINC000061801832 1037557407 /nfs/dbraw/zinc/55/74/07/1037557407.db2.gz AFPOXHGVLZNUMT-OAQYLSRUSA-N 1 0 336.435 4.173 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 ZINC000171639855 1037562179 /nfs/dbraw/zinc/56/21/79/1037562179.db2.gz GNWPGGQQBILMMQ-UHFFFAOYSA-N 1 0 347.528 4.349 20 30 EIEDRO CC[N@@H+](Cc1ccc(C#N)c(C)c1)CC1CCN(c2ccccn2)CC1 ZINC000488432757 1037589683 /nfs/dbraw/zinc/58/96/83/1037589683.db2.gz HNIUMILSTQXWDF-UHFFFAOYSA-N 1 0 348.494 4.000 20 30 EIEDRO CC(C)[C@H]1C[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CS1 ZINC000488571549 1037669367 /nfs/dbraw/zinc/66/93/67/1037669367.db2.gz GDCRHFIQUQVENF-JKSUJKDBSA-N 1 0 327.415 4.177 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157400 1037765060 /nfs/dbraw/zinc/76/50/60/1037765060.db2.gz WULXPJJZMJCYMU-HNNXBMFYSA-N 1 0 328.456 4.063 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1ccco1 ZINC000592398611 1037787908 /nfs/dbraw/zinc/78/79/08/1037787908.db2.gz ZDXMNMVVPFVJED-MRXNPFEDSA-N 1 0 349.471 4.015 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000488996962 1037830592 /nfs/dbraw/zinc/83/05/92/1037830592.db2.gz PBYSTLJTMIOPCQ-RTBURBONSA-N 1 0 326.827 4.140 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000503592834 1037832043 /nfs/dbraw/zinc/83/20/43/1037832043.db2.gz QFMOLJALMKNEOY-SFHVURJKSA-N 1 0 341.252 4.140 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000503592833 1037832084 /nfs/dbraw/zinc/83/20/84/1037832084.db2.gz QFMOLJALMKNEOY-GOSISDBHSA-N 1 0 341.252 4.140 20 30 EIEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1cccc(C#N)c1 ZINC000489062875 1037855307 /nfs/dbraw/zinc/85/53/07/1037855307.db2.gz GPTKZJJFPXKTKJ-LJQANCHMSA-N 1 0 326.415 4.281 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000172112577 1037856187 /nfs/dbraw/zinc/85/61/87/1037856187.db2.gz MLJZSZZDIPTSIF-GOSISDBHSA-N 1 0 327.424 4.164 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3cc(F)ccc3C2)c(C(F)(F)F)c1 ZINC001168421128 1037894420 /nfs/dbraw/zinc/89/44/20/1037894420.db2.gz OMLTZEREOIEKGX-QGZVFWFLSA-N 1 0 348.343 4.363 20 30 EIEDRO C=CCCCC[N@@H+](C)Cc1cc(OC)c(Br)c(OC)c1 ZINC001232570226 1037894440 /nfs/dbraw/zinc/89/44/40/1037894440.db2.gz TUIWZQXOVGYNIL-UHFFFAOYSA-N 1 0 342.277 4.254 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000574060026 1037930922 /nfs/dbraw/zinc/93/09/22/1037930922.db2.gz MWPLVESBZLKTRW-KRWDZBQOSA-N 1 0 348.475 4.312 20 30 EIEDRO C=CCc1cc(C[NH2+]CCc2cc(C)cc(C)c2)cc(OC)c1O ZINC000607168368 1037979882 /nfs/dbraw/zinc/97/98/82/1037979882.db2.gz HVPMTRANSNJJNC-UHFFFAOYSA-N 1 0 325.452 4.078 20 30 EIEDRO C=C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000489421275 1038037288 /nfs/dbraw/zinc/03/72/88/1038037288.db2.gz CVFSSMMRGCBSEM-GFCCVEGCSA-N 1 0 327.255 4.363 20 30 EIEDRO C=C[C@H]1CCCC[N@H+]1CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000489445202 1038060815 /nfs/dbraw/zinc/06/08/15/1038060815.db2.gz FUZLJXLGBODABD-INIZCTEOSA-N 1 0 329.419 4.157 20 30 EIEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000592497829 1038072891 /nfs/dbraw/zinc/07/28/91/1038072891.db2.gz ADZMCWXXNUJQES-MRXNPFEDSA-N 1 0 348.450 4.443 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@H](C)c2ccc(C)cc2)cc(OC)c1O ZINC000606471404 1038092919 /nfs/dbraw/zinc/09/29/19/1038092919.db2.gz DQVKIZYYPZBMJU-INIZCTEOSA-N 1 0 325.452 4.331 20 30 EIEDRO C=C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000489508310 1038093955 /nfs/dbraw/zinc/09/39/55/1038093955.db2.gz JZHVYCMAAKDNFW-ZDUSSCGKSA-N 1 0 326.362 4.075 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653077 1038118612 /nfs/dbraw/zinc/11/86/12/1038118612.db2.gz AYTZIGFSXGWFOX-AWEZNQCLSA-N 1 0 333.863 4.039 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC2(C#N)CCCC2)cc1 ZINC000593653151 1038118938 /nfs/dbraw/zinc/11/89/38/1038118938.db2.gz CVYFIFANUYHLMB-INIZCTEOSA-N 1 0 327.472 4.201 20 30 EIEDRO COc1ccc([C@@H]([NH2+]CC2CCC(C#N)CC2)c2ccccn2)cc1 ZINC000593713076 1038136696 /nfs/dbraw/zinc/13/66/96/1038136696.db2.gz SMABIHOFXYBCNU-MYKUNDNFSA-N 1 0 335.451 4.099 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)c2ccccc21 ZINC000593692013 1038152293 /nfs/dbraw/zinc/15/22/93/1038152293.db2.gz UUQDNKZYGNQGFG-MSOLQXFVSA-N 1 0 342.483 4.476 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](c2ccc(F)cc2F)C(C)C)cc1C#N ZINC000150884889 1038208356 /nfs/dbraw/zinc/20/83/56/1038208356.db2.gz OMVXQTFPOBJOMU-LJQANCHMSA-N 1 0 330.378 4.332 20 30 EIEDRO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1F ZINC000423425204 1038211494 /nfs/dbraw/zinc/21/14/94/1038211494.db2.gz DDHJONCNYNHDNJ-SGTLLEGYSA-N 1 0 339.414 4.233 20 30 EIEDRO C=CCC(C)(C)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000489982047 1038305185 /nfs/dbraw/zinc/30/51/85/1038305185.db2.gz WSDZCXVMFMCWSP-UHFFFAOYSA-N 1 0 328.500 4.007 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000574647772 1038308051 /nfs/dbraw/zinc/30/80/51/1038308051.db2.gz XNOIPOFBVABJTL-FQEVSTJZSA-N 1 0 348.446 4.277 20 30 EIEDRO COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C#N)cc1OC ZINC000490038644 1038312891 /nfs/dbraw/zinc/31/28/91/1038312891.db2.gz UJGZNHRSRHQZFB-SFHVURJKSA-N 1 0 344.842 4.040 20 30 EIEDRO CN(C)[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(F)cc1 ZINC000594494427 1038344940 /nfs/dbraw/zinc/34/49/40/1038344940.db2.gz BBFLUEUPDWSZQS-HXUWFJFHSA-N 1 0 339.458 4.019 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000594494814 1038345181 /nfs/dbraw/zinc/34/51/81/1038345181.db2.gz IBVMIUOMGGKFKX-IBGZPJMESA-N 1 0 333.479 4.104 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000594494954 1038346832 /nfs/dbraw/zinc/34/68/32/1038346832.db2.gz MEAUCXGMUZLPAU-UHFFFAOYSA-N 1 0 344.462 4.022 20 30 EIEDRO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594499151 1038349035 /nfs/dbraw/zinc/34/90/35/1038349035.db2.gz DHGFRNNPSNCCIP-UHFFFAOYSA-N 1 0 337.467 4.350 20 30 EIEDRO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC(C)(C)CCC#N ZINC000594506416 1038351966 /nfs/dbraw/zinc/35/19/66/1038351966.db2.gz QJORTJISOUPXLP-UHFFFAOYSA-N 1 0 330.863 4.254 20 30 EIEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)OCCO2 ZINC000594515241 1038357701 /nfs/dbraw/zinc/35/77/01/1038357701.db2.gz LSRURWRZVYYXMA-OAHLLOKOSA-N 1 0 334.419 4.059 20 30 EIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000594515590 1038358847 /nfs/dbraw/zinc/35/88/47/1038358847.db2.gz ODJSTJNESWVFAF-HNNXBMFYSA-N 1 0 345.446 4.173 20 30 EIEDRO COC(=O)c1csc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594519707 1038359765 /nfs/dbraw/zinc/35/97/65/1038359765.db2.gz XXOPVGOMAYTLNG-ZDUSSCGKSA-N 1 0 340.448 4.136 20 30 EIEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594625236 1038378861 /nfs/dbraw/zinc/37/88/61/1038378861.db2.gz SZHPBHGYPQMJIE-UHFFFAOYSA-N 1 0 336.483 4.296 20 30 EIEDRO CC(C)[C@H]1[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC12CCOCC2 ZINC000594605894 1038381163 /nfs/dbraw/zinc/38/11/63/1038381163.db2.gz FQFBQLOBCGWAGI-LJQANCHMSA-N 1 0 326.484 4.125 20 30 EIEDRO COc1ccc([C@H]([NH2+]CC2(CC#N)CC2)c2ccccc2OC)cc1 ZINC000594702724 1038390205 /nfs/dbraw/zinc/39/02/05/1038390205.db2.gz LLGNEKAEDHBZDL-FQEVSTJZSA-N 1 0 336.435 4.077 20 30 EIEDRO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1cccc(C#N)c1 ZINC000594711999 1038391030 /nfs/dbraw/zinc/39/10/30/1038391030.db2.gz OSUVILDIPZVSAY-LRDDRELGSA-N 1 0 326.362 4.099 20 30 EIEDRO CCCC[NH+](CCCC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000063493048 1038395736 /nfs/dbraw/zinc/39/57/36/1038395736.db2.gz LMGFAGDZPBUCDB-UHFFFAOYSA-N 1 0 347.528 4.339 20 30 EIEDRO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594919661 1038427127 /nfs/dbraw/zinc/42/71/27/1038427127.db2.gz IWACXAGJWWWKEQ-AVRDEDQJSA-N 1 0 345.490 4.167 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000594928120 1038428955 /nfs/dbraw/zinc/42/89/55/1038428955.db2.gz USXPVTFTNIRWCB-UHFFFAOYSA-N 1 0 331.463 4.000 20 30 EIEDRO CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594926713 1038431120 /nfs/dbraw/zinc/43/11/20/1038431120.db2.gz TVIKGYCJIUGKJP-HKUYNNGSSA-N 1 0 326.484 4.173 20 30 EIEDRO C[C@H](OCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594926808 1038431256 /nfs/dbraw/zinc/43/12/56/1038431256.db2.gz ZITKUHHROYFKRM-SFHVURJKSA-N 1 0 334.463 4.499 20 30 EIEDRO CO[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(Cl)c1 ZINC000594930658 1038432744 /nfs/dbraw/zinc/43/27/44/1038432744.db2.gz YOJKINBHUSPAHR-LJQANCHMSA-N 1 0 340.854 4.372 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)c1 ZINC000608069675 1038481761 /nfs/dbraw/zinc/48/17/61/1038481761.db2.gz DRVUCZWPFMZIAN-NRFANRHFSA-N 1 0 347.462 4.059 20 30 EIEDRO Cc1cc(Br)c(C[NH2+]Cc2ccc(C#N)c(C)c2)s1 ZINC000594978907 1038489548 /nfs/dbraw/zinc/48/95/48/1038489548.db2.gz YTMKUKXMQJJLHW-UHFFFAOYSA-N 1 0 335.270 4.289 20 30 EIEDRO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000594941916 1038499381 /nfs/dbraw/zinc/49/93/81/1038499381.db2.gz CCKXTNFPDRFVEV-WOJBJXKFSA-N 1 0 326.484 4.315 20 30 EIEDRO COc1c2ccccc2oc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594939220 1038501737 /nfs/dbraw/zinc/50/17/37/1038501737.db2.gz RSPOJSNURJEYEB-UHFFFAOYSA-N 1 0 332.403 4.286 20 30 EIEDRO Cc1c(Br)cncc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000594951231 1038519268 /nfs/dbraw/zinc/51/92/68/1038519268.db2.gz FFRXUPCGYOPFOG-KRWDZBQOSA-N 1 0 344.256 4.287 20 30 EIEDRO COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)c1 ZINC000594961629 1038530796 /nfs/dbraw/zinc/53/07/96/1038530796.db2.gz XPZCCTBXKZQDIY-KESTWPANSA-N 1 0 332.447 4.286 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCc4cc(F)c(F)c(F)c43)cc2)CC1 ZINC000594958701 1038531747 /nfs/dbraw/zinc/53/17/47/1038531747.db2.gz OJSWGBDRHDIZDC-MRXNPFEDSA-N 1 0 342.364 4.436 20 30 EIEDRO CCCc1ccc(-c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424122557 1038610083 /nfs/dbraw/zinc/61/00/83/1038610083.db2.gz HBHWDGBWIDVXBB-HXUWFJFHSA-N 1 0 335.451 4.266 20 30 EIEDRO CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000424163636 1038697889 /nfs/dbraw/zinc/69/78/89/1038697889.db2.gz AKYTZGBETSPSEO-ZWKOTPCHSA-N 1 0 347.890 4.051 20 30 EIEDRO Cc1cc(Br)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000424201814 1038735543 /nfs/dbraw/zinc/73/55/43/1038735543.db2.gz OYESVMYKHSBCLS-CMPLNLGQSA-N 1 0 327.653 4.193 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1cc(F)cc(Br)c1 ZINC000424291820 1038769230 /nfs/dbraw/zinc/76/92/30/1038769230.db2.gz FOPSQBVOVDQWSA-XZJROXQQSA-N 1 0 342.252 4.220 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000424296495 1038771843 /nfs/dbraw/zinc/77/18/43/1038771843.db2.gz OSUKLFRLSQACRK-KMFMINBZSA-N 1 0 327.390 4.207 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000424297521 1038775610 /nfs/dbraw/zinc/77/56/10/1038775610.db2.gz QUZZSTMWDSCAKS-BHYGNILZSA-N 1 0 341.373 4.217 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC000618743122 1038784025 /nfs/dbraw/zinc/78/40/25/1038784025.db2.gz XHHRNUSOVUIJFG-KRWDZBQOSA-N 1 0 334.316 4.493 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000618743177 1038785758 /nfs/dbraw/zinc/78/57/58/1038785758.db2.gz ZADHYZDIMLPEMN-QGZVFWFLSA-N 1 0 334.316 4.493 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(O)ccc2ccccc21 ZINC000063730231 1038800915 /nfs/dbraw/zinc/80/09/15/1038800915.db2.gz XHYYNJIRNPWXPJ-UHFFFAOYSA-N 1 0 346.430 4.066 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cnn1-c1cccc(Cl)c1 ZINC000424335944 1038811741 /nfs/dbraw/zinc/81/17/41/1038811741.db2.gz XDPWPJPRMGJRBW-IVMMDQJWSA-N 1 0 328.847 4.177 20 30 EIEDRO Cc1c2cc(C#N)ccc2sc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000424339377 1038829795 /nfs/dbraw/zinc/82/97/95/1038829795.db2.gz CTWJWJUFROUTAA-UHFFFAOYSA-N 1 0 338.436 4.250 20 30 EIEDRO Cc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(Cl)cc1C#N ZINC000461944865 1038830774 /nfs/dbraw/zinc/83/07/74/1038830774.db2.gz CEONEJIXDRXUKT-HOCLYGCPSA-N 1 0 346.906 4.006 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000505017521 1038888878 /nfs/dbraw/zinc/88/88/78/1038888878.db2.gz XDXOESMDCGQCQM-UHFFFAOYSA-N 1 0 337.467 4.189 20 30 EIEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]Cc1nc(C#N)cs1 ZINC000567576740 1038893524 /nfs/dbraw/zinc/89/35/24/1038893524.db2.gz SKFJJBPFHNORLG-SECBINFHSA-N 1 0 326.252 4.042 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000505044407 1038895475 /nfs/dbraw/zinc/89/54/75/1038895475.db2.gz AUFWMZANSGOWII-QGZVFWFLSA-N 1 0 329.488 4.047 20 30 EIEDRO CCC(CC)[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000539251565 1038896002 /nfs/dbraw/zinc/89/60/02/1038896002.db2.gz WELBMHCKOFKLJT-HXUWFJFHSA-N 1 0 341.499 4.096 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000539280206 1038912408 /nfs/dbraw/zinc/91/24/08/1038912408.db2.gz XEORHQYBIVHXSL-FPOVZHCZSA-N 1 0 343.442 4.035 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000505037353 1038914982 /nfs/dbraw/zinc/91/49/82/1038914982.db2.gz ARRGHTNDLPJDSW-GOSISDBHSA-N 1 0 341.499 4.145 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)(C)C ZINC000608886365 1038953551 /nfs/dbraw/zinc/95/35/51/1038953551.db2.gz APMXLFKOTLASCT-UHFFFAOYSA-N 1 0 347.528 4.195 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1F ZINC000174430261 1038955541 /nfs/dbraw/zinc/95/55/41/1038955541.db2.gz GMYPMNSFYIJFHC-HNNXBMFYSA-N 1 0 325.431 4.394 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000174436084 1038958048 /nfs/dbraw/zinc/95/80/48/1038958048.db2.gz ILJJIWGUGGOAEW-IRXDYDNUSA-N 1 0 346.434 4.014 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N[C@@H](C)CC)c1ccc(C(F)(F)F)cc1 ZINC000539331347 1038980508 /nfs/dbraw/zinc/98/05/08/1038980508.db2.gz JBVUWTXEWPNPIW-BBRMVZONSA-N 1 0 342.405 4.217 20 30 EIEDRO Cc1cnc([C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C2CC2)s1 ZINC000174544762 1038996251 /nfs/dbraw/zinc/99/62/51/1038996251.db2.gz NBMLYXMQMUYMBD-SFHVURJKSA-N 1 0 340.496 4.042 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000539388612 1039047802 /nfs/dbraw/zinc/04/78/02/1039047802.db2.gz PRQPQDRDAWPLPJ-INIZCTEOSA-N 1 0 349.544 4.004 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2)cc1 ZINC000552088021 1039109271 /nfs/dbraw/zinc/10/92/71/1039109271.db2.gz YXJMPOOVZXKKRG-QGZVFWFLSA-N 1 0 338.451 4.067 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477863413 1039142976 /nfs/dbraw/zinc/14/29/76/1039142976.db2.gz SMLYAMSRLBMXFE-KBPBESRZSA-N 1 0 344.480 4.287 20 30 EIEDRO Cc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552228547 1039281894 /nfs/dbraw/zinc/28/18/94/1039281894.db2.gz BSHRMQFTEOYFDK-JOCHJYFZSA-N 1 0 331.463 4.113 20 30 EIEDRO C=CCC(C)(C)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000550809279 1039338200 /nfs/dbraw/zinc/33/82/00/1039338200.db2.gz JOBFWRAAAVVUGY-UHFFFAOYSA-N 1 0 348.918 4.271 20 30 EIEDRO C/C=C/C[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600212207 1039374571 /nfs/dbraw/zinc/37/45/71/1039374571.db2.gz CUQHCNMIPYPKHP-ZMUQKWFASA-N 1 0 349.482 4.037 20 30 EIEDRO C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(C#N)cc1Cl ZINC000552333598 1039387140 /nfs/dbraw/zinc/38/71/40/1039387140.db2.gz JHXXDQFPSCNFOC-CQSZACIVSA-N 1 0 325.843 4.379 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)ccc1C#N ZINC000509448736 1039407524 /nfs/dbraw/zinc/40/75/24/1039407524.db2.gz ASMSYRYWYRCPBN-JOCHJYFZSA-N 1 0 347.506 4.257 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000092748337 1039579527 /nfs/dbraw/zinc/57/95/27/1039579527.db2.gz TUVVTUUWUFXYPR-AWEZNQCLSA-N 1 0 346.496 4.056 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)cc1C ZINC000092787089 1039591653 /nfs/dbraw/zinc/59/16/53/1039591653.db2.gz PZNQGAKULOQNHX-UHFFFAOYSA-N 1 0 338.451 4.318 20 30 EIEDRO C=CCC1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)CCC1 ZINC000478272610 1039600085 /nfs/dbraw/zinc/60/00/85/1039600085.db2.gz ANCAJHJINADKTP-KRWDZBQOSA-N 1 0 346.540 4.384 20 30 EIEDRO CC(C)(CCC#N)C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000093104242 1039633848 /nfs/dbraw/zinc/63/38/48/1039633848.db2.gz RUEMKXUTHJDTPJ-UHFFFAOYSA-N 1 0 338.455 4.246 20 30 EIEDRO CO[C@@H](C[NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000514145886 1039657744 /nfs/dbraw/zinc/65/77/44/1039657744.db2.gz QKEYAIHESULOHK-SFHVURJKSA-N 1 0 326.827 4.178 20 30 EIEDRO N#CCCn1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000093441840 1039698433 /nfs/dbraw/zinc/69/84/33/1039698433.db2.gz OLUWSPJIPINSPP-OALUTQOASA-N 1 0 334.467 4.086 20 30 EIEDRO COC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000481676326 1039732186 /nfs/dbraw/zinc/73/21/86/1039732186.db2.gz ZVJXYQMSCOHILU-SFTDATJTSA-N 1 0 338.426 4.442 20 30 EIEDRO C=C[C@H](CC(=O)NCC1CC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC000534721420 1039748189 /nfs/dbraw/zinc/74/81/89/1039748189.db2.gz LKTXZKPVZZCJFU-HXUWFJFHSA-N 1 0 342.527 4.221 20 30 EIEDRO C=C(C)COc1cc(C[N@H+](C)CCc2ncc(C)s2)ccc1OC ZINC000093807421 1039755510 /nfs/dbraw/zinc/75/55/10/1039755510.db2.gz KSUUYJNBJVRWCW-UHFFFAOYSA-N 1 0 346.496 4.090 20 30 EIEDRO C=C[C@@H](CC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21)c1ccccc1 ZINC000534736082 1039758369 /nfs/dbraw/zinc/75/83/69/1039758369.db2.gz UYLRCJRNQJXHFI-GHTZIAJQSA-N 1 0 346.474 4.358 20 30 EIEDRO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3CCCc3ccccc3)n2c1 ZINC000537646885 1039801828 /nfs/dbraw/zinc/80/18/28/1039801828.db2.gz BQSRLZPGWLPHRJ-FQEVSTJZSA-N 1 0 344.462 4.193 20 30 EIEDRO Cc1ccc(CNc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C#N ZINC000600553526 1039833583 /nfs/dbraw/zinc/83/35/83/1039833583.db2.gz UJTDIWGUMVEKGN-QZTJIDSGSA-N 1 0 349.478 4.088 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000442675456 1039845834 /nfs/dbraw/zinc/84/58/34/1039845834.db2.gz YTHRIRBWEMXNIW-AVRDEDQJSA-N 1 0 334.463 4.343 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C2CCC(F)(F)CC2)ccc1OC ZINC000534906290 1039847796 /nfs/dbraw/zinc/84/77/96/1039847796.db2.gz OEKGOVXCCRCURX-UHFFFAOYSA-N 1 0 325.399 4.318 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000481919738 1039895029 /nfs/dbraw/zinc/89/50/29/1039895029.db2.gz IOWULBLVPDUHBK-FQEVSTJZSA-N 1 0 335.407 4.066 20 30 EIEDRO CCc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)s1 ZINC000535071936 1039936371 /nfs/dbraw/zinc/93/63/71/1039936371.db2.gz DYGDTPUBEKBXMP-UHFFFAOYSA-N 1 0 341.480 4.057 20 30 EIEDRO COc1cc(C)c(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000535072312 1039942943 /nfs/dbraw/zinc/94/29/43/1039942943.db2.gz GUJLSHGIELHDOJ-UHFFFAOYSA-N 1 0 338.451 4.295 20 30 EIEDRO CC[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc(C#N)c1 ZINC000926904336 1039973703 /nfs/dbraw/zinc/97/37/03/1039973703.db2.gz GNHZODRAJBSUSO-OWCLPIDISA-N 1 0 326.362 4.099 20 30 EIEDRO COc1ccc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000478968052 1040038055 /nfs/dbraw/zinc/03/80/55/1040038055.db2.gz UZPHXTVCYBHGOE-UHFFFAOYSA-N 1 0 333.353 4.198 20 30 EIEDRO C=CCC[C@@H](NC(=O)NCC1CC[NH+](CCC)CC1)c1ccccc1 ZINC000435106472 1040069504 /nfs/dbraw/zinc/06/95/04/1040069504.db2.gz BPYZFFBCBWNQEK-HXUWFJFHSA-N 1 0 343.515 4.115 20 30 EIEDRO C=CCC[C@@H](NC(=O)NCCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000435114142 1040075961 /nfs/dbraw/zinc/07/59/61/1040075961.db2.gz QYSGEKVQAMSCFE-HXUWFJFHSA-N 1 0 343.515 4.115 20 30 EIEDRO C=CCC[C@@H](NC(=O)NC1CC[NH+](CC(=C)C)CC1)c1ccccc1 ZINC000158188037 1040156828 /nfs/dbraw/zinc/15/68/28/1040156828.db2.gz YNTZZWCCIHAXAV-HXUWFJFHSA-N 1 0 341.499 4.034 20 30 EIEDRO C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455925098 1040185120 /nfs/dbraw/zinc/18/51/20/1040185120.db2.gz MWEIAHIRDZFNTR-LJQANCHMSA-N 1 0 329.488 4.446 20 30 EIEDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000514754491 1040205311 /nfs/dbraw/zinc/20/53/11/1040205311.db2.gz UTJGKGKRIFVNNT-HNNXBMFYSA-N 1 0 328.843 4.421 20 30 EIEDRO CC(C)[N@H+](CCCOc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000477155231 1040266494 /nfs/dbraw/zinc/26/64/94/1040266494.db2.gz BUWWHTFTIDTZED-UHFFFAOYSA-N 1 0 333.435 4.109 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c(F)c1 ZINC000029828385 1040280066 /nfs/dbraw/zinc/28/00/66/1040280066.db2.gz DVGCUMMEQCWGJZ-MRXNPFEDSA-N 1 0 335.382 4.218 20 30 EIEDRO C=CCOc1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000425366918 1040347621 /nfs/dbraw/zinc/34/76/21/1040347621.db2.gz AXCAFKDIINRHOU-FQEVSTJZSA-N 1 0 327.468 4.033 20 30 EIEDRO C=CCOc1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000425366919 1040348935 /nfs/dbraw/zinc/34/89/35/1040348935.db2.gz AXCAFKDIINRHOU-HXUWFJFHSA-N 1 0 327.468 4.033 20 30 EIEDRO CCCC[C@H](CC)C[NH2+][C@@]12CC[C@@](NC(=O)CCS)(C1)CCC2 ZINC001269953354 1040361634 /nfs/dbraw/zinc/36/16/34/1040361634.db2.gz OFDBKWIVKKUXHQ-YTQUADARSA-N 1 0 340.577 4.074 20 30 EIEDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(C#N)s1)c1ccccc1Cl ZINC000539418762 1040429550 /nfs/dbraw/zinc/42/95/50/1040429550.db2.gz LMZRDBRRKNFLEJ-GOSISDBHSA-N 1 0 347.915 4.446 20 30 EIEDRO Cc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)sc1Br ZINC000551580941 1040440574 /nfs/dbraw/zinc/44/05/74/1040440574.db2.gz KDSDYTNETKIPPB-UHFFFAOYSA-N 1 0 347.281 4.470 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(Br)c3)CC2)s1 ZINC000539501264 1040479166 /nfs/dbraw/zinc/47/91/66/1040479166.db2.gz GDXPFVQSCXZSAA-UHFFFAOYSA-N 1 0 347.281 4.204 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000435665014 1040519114 /nfs/dbraw/zinc/51/91/14/1040519114.db2.gz OMTLANAPSVUBGA-UAGQMJEPSA-N 1 0 338.289 4.471 20 30 EIEDRO N#Cc1cccc(C2([NH2+]CCc3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000551713208 1040530676 /nfs/dbraw/zinc/53/06/76/1040530676.db2.gz QWEUALPCVGAZDS-UHFFFAOYSA-N 1 0 346.352 4.278 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC000435727386 1040558836 /nfs/dbraw/zinc/55/88/36/1040558836.db2.gz WYHVGJAOKJKTJL-RBBKRZOGSA-N 1 0 337.463 4.433 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC000435727387 1040560426 /nfs/dbraw/zinc/56/04/26/1040560426.db2.gz WYHVGJAOKJKTJL-UNMCSNQZSA-N 1 0 337.463 4.433 20 30 EIEDRO C[C@H]([NH2+]C1(CNCc2cccc(C#N)c2)CCCC1)c1ccccc1 ZINC000237527971 1040560926 /nfs/dbraw/zinc/56/09/26/1040560926.db2.gz DZMIZEMKTSGESX-SFHVURJKSA-N 1 0 333.479 4.311 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2OC)cc1 ZINC000435750186 1040584063 /nfs/dbraw/zinc/58/40/63/1040584063.db2.gz XBSQKTNCZNPRBU-DENIHFKCSA-N 1 0 337.463 4.433 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000435746175 1040598600 /nfs/dbraw/zinc/59/86/00/1040598600.db2.gz UKYFRZFQLOJJJJ-KXBFYZLASA-N 1 0 334.891 4.011 20 30 EIEDRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000539607462 1040605227 /nfs/dbraw/zinc/60/52/27/1040605227.db2.gz OOFOOEBDRRROGI-HNNXBMFYSA-N 1 0 326.415 4.378 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)c(F)c1 ZINC000539610486 1040606809 /nfs/dbraw/zinc/60/68/09/1040606809.db2.gz YKEBSEHKQPHLSN-WMLDXEAASA-N 1 0 341.405 4.156 20 30 EIEDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609055 1040607873 /nfs/dbraw/zinc/60/78/73/1040607873.db2.gz BZIWNHQHEDFWML-GUXCAODWSA-N 1 0 337.442 4.011 20 30 EIEDRO C=CCC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000428792134 1040631739 /nfs/dbraw/zinc/63/17/39/1040631739.db2.gz VMGKGQPSEFABCJ-QFIPXVFZSA-N 1 0 335.495 4.124 20 30 EIEDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C#N)CC12CCCCC2 ZINC000462479551 1040655087 /nfs/dbraw/zinc/65/50/87/1040655087.db2.gz YAVFHXYLNZOYEH-QGZVFWFLSA-N 1 0 339.483 4.179 20 30 EIEDRO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428792514 1040657828 /nfs/dbraw/zinc/65/78/28/1040657828.db2.gz HHSSMMLZKXMDNG-KKSFZXQISA-N 1 0 343.430 4.321 20 30 EIEDRO C=CCCCCCN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000483107577 1040708409 /nfs/dbraw/zinc/70/84/09/1040708409.db2.gz FKHGDUCZBOWBDA-UHFFFAOYSA-N 1 0 342.527 4.494 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)CCc1cccc(F)c1 ZINC000515409620 1040734265 /nfs/dbraw/zinc/73/42/65/1040734265.db2.gz DPYPWBXYEBEMLC-MRXNPFEDSA-N 1 0 331.431 4.310 20 30 EIEDRO Cc1ccccc1C[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000483154287 1040742759 /nfs/dbraw/zinc/74/27/59/1040742759.db2.gz ILUQXNGAHOHMGD-UHFFFAOYSA-N 1 0 329.447 4.408 20 30 EIEDRO CC(C)[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(Br)cc1 ZINC000483174843 1040744851 /nfs/dbraw/zinc/74/48/51/1040744851.db2.gz LCCSDEHWYWFLFW-UHFFFAOYSA-N 1 0 346.272 4.070 20 30 EIEDRO CCc1cccc2c(C3CC[NH+](Cc4cc(C#N)n(C)c4)CC3)c[nH]c21 ZINC000483256680 1040795765 /nfs/dbraw/zinc/79/57/65/1040795765.db2.gz NVZLCBDTOAVUPT-UHFFFAOYSA-N 1 0 346.478 4.320 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)c(C(F)(F)F)c1 ZINC000515479596 1040800793 /nfs/dbraw/zinc/80/07/93/1040800793.db2.gz XGXVHYYXJJZTRA-UHFFFAOYSA-N 1 0 329.325 4.348 20 30 EIEDRO Cn1cc(C[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1C#N ZINC000483283335 1040805423 /nfs/dbraw/zinc/80/54/23/1040805423.db2.gz XKQVCQOMJDNGBX-UHFFFAOYSA-N 1 0 334.250 4.368 20 30 EIEDRO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1Cl ZINC000539817154 1040811757 /nfs/dbraw/zinc/81/17/57/1040811757.db2.gz BERGQBFFBRBOIN-NVXWUHKLSA-N 1 0 336.907 4.209 20 30 EIEDRO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1Cl ZINC000539817158 1040812820 /nfs/dbraw/zinc/81/28/20/1040812820.db2.gz BERGQBFFBRBOIN-WBVHZDCISA-N 1 0 336.907 4.209 20 30 EIEDRO CCC[N@H+](Cc1cn2cc(Cl)ccc2n1)Cc1ccc(C#N)cc1 ZINC000515544879 1040844378 /nfs/dbraw/zinc/84/43/78/1040844378.db2.gz AQRNDJHPKSIBLC-UHFFFAOYSA-N 1 0 338.842 4.272 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCCc2cccs2)ccc1OC ZINC000539852954 1040850730 /nfs/dbraw/zinc/85/07/30/1040850730.db2.gz CXVSXGUIYMZKSQ-UHFFFAOYSA-N 1 0 331.481 4.434 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(OC)cc2)cc1 ZINC000537868738 1040861344 /nfs/dbraw/zinc/86/13/44/1040861344.db2.gz NOBMDSRPMAIMPU-KKSFZXQISA-N 1 0 341.451 4.126 20 30 EIEDRO N#Cc1cccc(Cl)c1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000462774433 1040911940 /nfs/dbraw/zinc/91/19/40/1040911940.db2.gz CECKWCLFJZZWJG-UHFFFAOYSA-N 1 0 343.833 4.427 20 30 EIEDRO CC[NH+](CC)CC1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000462784346 1040930917 /nfs/dbraw/zinc/93/09/17/1040930917.db2.gz DQDWKZFSULNLIV-UHFFFAOYSA-N 1 0 339.405 4.135 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CC#Cc2ccccc2Cl)c(C)c1OC ZINC000554294337 1040968514 /nfs/dbraw/zinc/96/85/14/1040968514.db2.gz ZCBDSBLCRZTOIF-HNNXBMFYSA-N 1 0 343.854 4.368 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000462817751 1040993462 /nfs/dbraw/zinc/99/34/62/1040993462.db2.gz UOOMYINEAJKRDF-GOEBONIOSA-N 1 0 341.405 4.014 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000436283765 1041030681 /nfs/dbraw/zinc/03/06/81/1041030681.db2.gz KTOQVDHNNXQIBX-OZVIIMIRSA-N 1 0 342.252 4.220 20 30 EIEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)NCc1ccc(C#N)cn1 ZINC000554359299 1041032857 /nfs/dbraw/zinc/03/28/57/1041032857.db2.gz PWLCQFSKJLVXCN-SFHVURJKSA-N 1 0 343.858 4.492 20 30 EIEDRO C[C@@H]1SCCN(Cc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000483982944 1041084026 /nfs/dbraw/zinc/08/40/26/1041084026.db2.gz VYGCTSNCKSDAIU-IFXJQAMLSA-N 1 0 326.440 4.376 20 30 EIEDRO C=CCC[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000538127452 1041085486 /nfs/dbraw/zinc/08/54/86/1041085486.db2.gz JWSMPWJUAXFHFW-HNNXBMFYSA-N 1 0 326.415 4.234 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000436308190 1041095245 /nfs/dbraw/zinc/09/52/45/1041095245.db2.gz LZSXSAGTEBZNSY-YSSFQJQWSA-N 1 0 344.405 4.020 20 30 EIEDRO CCOc1ccc(C2=CCN(Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000484095391 1041115127 /nfs/dbraw/zinc/11/51/27/1041115127.db2.gz JKDPSEHBXZLTFU-UHFFFAOYSA-N 1 0 336.410 4.385 20 30 EIEDRO Fc1ccc2nc([C@@H]3CCC[N@H+](CC#Cc4ccccc4)C3)oc2c1 ZINC000484093486 1041116846 /nfs/dbraw/zinc/11/68/46/1041116846.db2.gz NHIDBJYEJBSCDT-QGZVFWFLSA-N 1 0 334.394 4.198 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000515780202 1041121225 /nfs/dbraw/zinc/12/12/25/1041121225.db2.gz ZSHNRADPCLSXMF-UHFFFAOYSA-N 1 0 326.396 4.100 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000484164206 1041153380 /nfs/dbraw/zinc/15/33/80/1041153380.db2.gz QXHKKPNWKJXQRI-QZTJIDSGSA-N 1 0 348.494 4.197 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1C#N ZINC000480300075 1041191122 /nfs/dbraw/zinc/19/11/22/1041191122.db2.gz HHOFRXGHYWPMBA-AEFFLSMTSA-N 1 0 347.384 4.341 20 30 EIEDRO Cn1cc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1C#N ZINC000480300078 1041191965 /nfs/dbraw/zinc/19/19/65/1041191965.db2.gz HHOFRXGHYWPMBA-WMZOPIPTSA-N 1 0 347.384 4.341 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000425541614 1041216562 /nfs/dbraw/zinc/21/65/62/1041216562.db2.gz WZOOJUKFUZLNIF-CYBMUJFWSA-N 1 0 341.361 4.224 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)no1)c1ccccc1 ZINC000538260218 1041221618 /nfs/dbraw/zinc/22/16/18/1041221618.db2.gz XMXLSXZIHJCHOL-MRXNPFEDSA-N 1 0 341.455 4.208 20 30 EIEDRO Cn1cc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCC2)cc1C#N ZINC000480350649 1041226140 /nfs/dbraw/zinc/22/61/40/1041226140.db2.gz AMRSNSKKXPUMEP-UHFFFAOYSA-N 1 0 347.384 4.127 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000161491448 1041235491 /nfs/dbraw/zinc/23/54/91/1041235491.db2.gz STOOTIBKWBGIFK-IBGZPJMESA-N 1 0 339.435 4.264 20 30 EIEDRO Cn1cc(C[NH2+]C[C@H](Cc2ccccc2)c2ccccc2)cc1C#N ZINC000480363629 1041247638 /nfs/dbraw/zinc/24/76/38/1041247638.db2.gz MBUOWCYCZKKCCU-NRFANRHFSA-N 1 0 329.447 4.013 20 30 EIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000538398909 1041296449 /nfs/dbraw/zinc/29/64/49/1041296449.db2.gz WZTRWOXKJMSMRI-VGSWGCGISA-N 1 0 333.479 4.046 20 30 EIEDRO C=CCn1c(SCCC[NH+]2CCCCC2)nnc1-c1ccccc1 ZINC000484496777 1041302837 /nfs/dbraw/zinc/30/28/37/1041302837.db2.gz FGSQZEPSHSYIHH-UHFFFAOYSA-N 1 0 342.512 4.099 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@H](CCC(C)C)C(C)(C)C)c(C#N)c1C ZINC000538391785 1041309118 /nfs/dbraw/zinc/30/91/18/1041309118.db2.gz UIOMEHMDQKCJQL-MRXNPFEDSA-N 1 0 333.476 4.147 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)C ZINC000538391708 1041310565 /nfs/dbraw/zinc/31/05/65/1041310565.db2.gz QCIJLSGDKSGRDP-MRXNPFEDSA-N 1 0 347.528 4.241 20 30 EIEDRO CC(C)CC[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000538393412 1041312337 /nfs/dbraw/zinc/31/23/37/1041312337.db2.gz XXDDWJUAMOXAKA-OAHLLOKOSA-N 1 0 335.517 4.389 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1OC(F)F ZINC000538397648 1041315636 /nfs/dbraw/zinc/31/56/36/1041315636.db2.gz QBQWUUMPTJWSJP-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000480484885 1041323523 /nfs/dbraw/zinc/32/35/23/1041323523.db2.gz YARZJXFPWNIWEG-FQEVSTJZSA-N 1 0 342.483 4.341 20 30 EIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000540290147 1041358013 /nfs/dbraw/zinc/35/80/13/1041358013.db2.gz GLZLWVZAMUHRJU-BBRMVZONSA-N 1 0 327.378 4.084 20 30 EIEDRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]CC2(C#N)CC2)cc1 ZINC000484628220 1041378949 /nfs/dbraw/zinc/37/89/49/1041378949.db2.gz MKKPRUOBGQMUSH-OALUTQOASA-N 1 0 328.456 4.059 20 30 EIEDRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]CCCCC#N)cc1 ZINC000484656174 1041384616 /nfs/dbraw/zinc/38/46/16/1041384616.db2.gz TYPRPAYRXZVIRA-VQTJNVASSA-N 1 0 330.472 4.449 20 30 EIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1F ZINC000538508316 1041395562 /nfs/dbraw/zinc/39/55/62/1041395562.db2.gz HYOJMGDJHCNURU-XJKSGUPXSA-N 1 0 330.378 4.345 20 30 EIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1F ZINC000538508313 1041396650 /nfs/dbraw/zinc/39/66/50/1041396650.db2.gz HYOJMGDJHCNURU-BBRMVZONSA-N 1 0 330.378 4.345 20 30 EIEDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)c(F)c1 ZINC000538512031 1041399648 /nfs/dbraw/zinc/39/96/48/1041399648.db2.gz XJTYGQRIZPTKQO-CQSZACIVSA-N 1 0 341.386 4.279 20 30 EIEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@](C)(C#N)C2CCCCC2)cc1 ZINC000554787781 1041400628 /nfs/dbraw/zinc/40/06/28/1041400628.db2.gz CSRZIWFYSMBEQU-OAQYLSRUSA-N 1 0 341.499 4.121 20 30 EIEDRO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CCCCC1 ZINC000506326087 1041400860 /nfs/dbraw/zinc/40/08/60/1041400860.db2.gz NKYOSEBPMFYULE-UHFFFAOYSA-N 1 0 336.483 4.476 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)ccc1OC ZINC000538567438 1041423862 /nfs/dbraw/zinc/42/38/62/1041423862.db2.gz AIJVMCQZBCUWNI-IBGZPJMESA-N 1 0 345.483 4.041 20 30 EIEDRO O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000463214924 1041425599 /nfs/dbraw/zinc/42/55/99/1041425599.db2.gz NFAHHUVNORPVDS-DFQSSKMNSA-N 1 0 331.887 4.097 20 30 EIEDRO COC(=O)c1ccccc1CC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000463225453 1041435203 /nfs/dbraw/zinc/43/52/03/1041435203.db2.gz ZHGVMORALIZHEH-UHFFFAOYSA-N 1 0 342.483 4.058 20 30 EIEDRO CC[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000463237184 1041444942 /nfs/dbraw/zinc/44/49/42/1041444942.db2.gz UAXJULMYLVWYOC-NUEKZKHPSA-N 1 0 335.289 4.442 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000463240105 1041448192 /nfs/dbraw/zinc/44/81/92/1041448192.db2.gz JDUBTCZCDWAXPK-BXIUTXANSA-N 1 0 347.453 4.161 20 30 EIEDRO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000554848901 1041454359 /nfs/dbraw/zinc/45/43/59/1041454359.db2.gz RYGTVIGVUXCNRG-ZIAGYGMSSA-N 1 0 341.842 4.198 20 30 EIEDRO CC(C)(C[NH2+]Cc1nc(C#N)cs1)c1c(Cl)cccc1Cl ZINC000516217723 1041455791 /nfs/dbraw/zinc/45/57/91/1041455791.db2.gz RMUPXLHGQDFVNR-UHFFFAOYSA-N 1 0 340.279 4.389 20 30 EIEDRO CC(C)[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CCC1 ZINC000195080417 1041471745 /nfs/dbraw/zinc/47/17/45/1041471745.db2.gz IGVVKPMBUMAVPA-UHFFFAOYSA-N 1 0 336.483 4.474 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCOc2ccc(Cl)cc2Cl)C1 ZINC000463284801 1041474019 /nfs/dbraw/zinc/47/40/19/1041474019.db2.gz QQRTTZLRBUXFJW-OCCSQVGLSA-N 1 0 327.255 4.434 20 30 EIEDRO C=C(C)C[N@@H+](CC)Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000505886619 1041497562 /nfs/dbraw/zinc/49/75/62/1041497562.db2.gz ITYSMHTUPREJLT-UHFFFAOYSA-N 1 0 346.478 4.391 20 30 EIEDRO C=CCOc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1OC ZINC000538731272 1041500769 /nfs/dbraw/zinc/50/07/69/1041500769.db2.gz XEFJFTZUJYNWKX-INIZCTEOSA-N 1 0 341.451 4.029 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCC2C[C@H](C)O[C@@H](C)C2)ccc1OC ZINC000554937609 1041510977 /nfs/dbraw/zinc/51/09/77/1041510977.db2.gz LOVDXXGYKMWOTE-IRXDYDNUSA-N 1 0 347.499 4.333 20 30 EIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609153 1041561109 /nfs/dbraw/zinc/56/11/09/1041561109.db2.gz DKKTWCVJXMNQRC-PGRDOPGGSA-N 1 0 344.462 4.464 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000540705551 1041605247 /nfs/dbraw/zinc/60/52/47/1041605247.db2.gz MSZRCPJICFCJSE-QUJCMNEKSA-N 1 0 330.378 4.263 20 30 EIEDRO C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(C#N)c(F)c1 ZINC000540707145 1041606446 /nfs/dbraw/zinc/60/64/46/1041606446.db2.gz PMGNBJSWZSDPHW-LBPRGKRZSA-N 1 0 325.362 4.211 20 30 EIEDRO C[C@@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708108 1041607593 /nfs/dbraw/zinc/60/75/93/1041607593.db2.gz SYENMJCCLNFJRQ-DLBZAZTESA-N 1 0 339.458 4.259 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)c(F)c1 ZINC000540707837 1041607947 /nfs/dbraw/zinc/60/79/47/1041607947.db2.gz AQYMNIGWBQOXIC-SUMWQHHRSA-N 1 0 343.833 4.280 20 30 EIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000463564576 1041629468 /nfs/dbraw/zinc/62/94/68/1041629468.db2.gz QKUGLPBGNKNXSI-YOEHRIQHSA-N 1 0 338.426 4.477 20 30 EIEDRO CC[C@H]1CCCC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437083192 1041629982 /nfs/dbraw/zinc/62/99/82/1041629982.db2.gz GHYAQXLYSRUADY-GWFLUQINSA-N 1 0 327.472 4.202 20 30 EIEDRO C[C@H]1CCC[C@H](C)C1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437089728 1041637289 /nfs/dbraw/zinc/63/72/89/1041637289.db2.gz HPIDSJIRCYZXNC-QEFXCSQDSA-N 1 0 327.472 4.058 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H](C)c1ccccc1 ZINC000437099411 1041644537 /nfs/dbraw/zinc/64/45/37/1041644537.db2.gz RKRCKHHUJWJOSV-FBIZOPLVSA-N 1 0 349.478 4.425 20 30 EIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000460344489 1041784106 /nfs/dbraw/zinc/78/41/06/1041784106.db2.gz AGZWCPJCTGNOGP-UNEWFSDZSA-N 1 0 331.460 4.044 20 30 EIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000460351007 1041785867 /nfs/dbraw/zinc/78/58/67/1041785867.db2.gz LXMYPVYVHOXMNA-CZUORRHYSA-N 1 0 333.863 4.099 20 30 EIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000460344490 1041789465 /nfs/dbraw/zinc/78/94/65/1041789465.db2.gz AGZWCPJCTGNOGP-YSVLISHTSA-N 1 0 331.460 4.044 20 30 EIEDRO N#Cc1ccc(CN2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000516875605 1041791807 /nfs/dbraw/zinc/79/18/07/1041791807.db2.gz SCACLVHSSZQRER-KRWDZBQOSA-N 1 0 349.331 4.043 20 30 EIEDRO CC[N@H+](CCc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437435012 1041804734 /nfs/dbraw/zinc/80/47/34/1041804734.db2.gz NZUIFPKWGGWAPL-UHFFFAOYSA-N 1 0 336.407 4.286 20 30 EIEDRO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437438443 1041806944 /nfs/dbraw/zinc/80/69/44/1041806944.db2.gz JMWHIHNVIWQDGD-ZDUSSCGKSA-N 1 0 346.377 4.361 20 30 EIEDRO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1 ZINC000437438439 1041807010 /nfs/dbraw/zinc/80/70/10/1041807010.db2.gz JMWHIHNVIWQDGD-CYBMUJFWSA-N 1 0 346.377 4.361 20 30 EIEDRO C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C#N)cc2)c2ccsc2S1 ZINC000090107604 1041833734 /nfs/dbraw/zinc/83/37/34/1041833734.db2.gz NFLUCOGIRLLLQS-BLLLJJGKSA-N 1 0 330.478 4.214 20 30 EIEDRO CCCCOc1cc(C[NH+]2CCC(CCC#N)CC2)ccc1OC ZINC000517373056 1041992321 /nfs/dbraw/zinc/99/23/21/1041992321.db2.gz AOJIXDZLTAYNCD-UHFFFAOYSA-N 1 0 330.472 4.390 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000464564997 1042064857 /nfs/dbraw/zinc/06/48/57/1042064857.db2.gz ZPSDZDPBECREEL-IRXDYDNUSA-N 1 0 334.529 4.240 20 30 EIEDRO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000517530280 1042067959 /nfs/dbraw/zinc/06/79/59/1042067959.db2.gz NQYNCIRTEGFSPW-QGZVFWFLSA-N 1 0 347.462 4.273 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000464651368 1042107194 /nfs/dbraw/zinc/10/71/94/1042107194.db2.gz RPFSXVCVNAXRJB-SFHVURJKSA-N 1 0 328.500 4.137 20 30 EIEDRO C=CCc1cc(C[N@H+](C)Cc2ccc(F)c(F)c2)cc(OC)c1O ZINC000506204134 1042127921 /nfs/dbraw/zinc/12/79/21/1042127921.db2.gz OMFUIYMIFAHPRP-UHFFFAOYSA-N 1 0 333.378 4.040 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000925031232 1042136294 /nfs/dbraw/zinc/13/62/94/1042136294.db2.gz YNVGIBSXPXZUJT-INIZCTEOSA-N 1 0 325.456 4.099 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(C)C)C2)cc1OCCCC#N ZINC000438344968 1042146317 /nfs/dbraw/zinc/14/63/17/1042146317.db2.gz CTYWWIVAFSKXMI-GOSISDBHSA-N 1 0 330.472 4.246 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)cc(OC)c1O ZINC000438467708 1042198196 /nfs/dbraw/zinc/19/81/96/1042198196.db2.gz UTDTWZBIEHHXOK-AWEZNQCLSA-N 1 0 331.378 4.196 20 30 EIEDRO CCC[C@@H]1CN(Cc2ccc(CC#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001168439518 1042199616 /nfs/dbraw/zinc/19/96/16/1042199616.db2.gz VXMQLIPXXBWKPZ-HSZRJFAPSA-N 1 0 347.506 4.239 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)o1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000509589834 1042395896 /nfs/dbraw/zinc/39/58/96/1042395896.db2.gz XZHWNWGNTZZLQE-IBGZPJMESA-N 1 0 337.467 4.028 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000491357332 1042432489 /nfs/dbraw/zinc/43/24/89/1042432489.db2.gz YFLTYJFEIIQAMW-OAQYLSRUSA-N 1 0 341.451 4.068 20 30 EIEDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000506469044 1042473033 /nfs/dbraw/zinc/47/30/33/1042473033.db2.gz GTXLRVAMHGPGHT-LJQANCHMSA-N 1 0 334.463 4.474 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(F)(F)F)CC2)ccc1OC ZINC000506493635 1042517524 /nfs/dbraw/zinc/51/75/24/1042517524.db2.gz BIDURFPTQSSQKC-UHFFFAOYSA-N 1 0 343.389 4.424 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccsc1 ZINC000669940071 1042520333 /nfs/dbraw/zinc/52/03/33/1042520333.db2.gz WEEKTGBYANZFBL-LBPRGKRZSA-N 1 0 325.355 4.349 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)OCCCO2 ZINC000271935631 1042538571 /nfs/dbraw/zinc/53/85/71/1042538571.db2.gz AEIONWDMCKGFSE-HNNXBMFYSA-N 1 0 334.419 4.059 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H]1OCCc2sccc21 ZINC000426313623 1042549744 /nfs/dbraw/zinc/54/97/44/1042549744.db2.gz NJMYIJDFNHWHOO-IUUKEHGRSA-N 1 0 330.428 4.112 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccccc3Br)CC2)cc1 ZINC000492110220 1042558057 /nfs/dbraw/zinc/55/80/57/1042558057.db2.gz SZVGIZFZADZNAM-UHFFFAOYSA-N 1 0 341.252 4.186 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271960295 1042561797 /nfs/dbraw/zinc/56/17/97/1042561797.db2.gz QYWIYXFIAFHUOT-ZKWAXGPOSA-N 1 0 346.352 4.156 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2(Cc3ccccc3Br)CC2)c1 ZINC000492272091 1042600548 /nfs/dbraw/zinc/60/05/48/1042600548.db2.gz HZRJXUMBIAQIKK-UHFFFAOYSA-N 1 0 341.252 4.186 20 30 EIEDRO Cc1nc2ccc(CNc3ncccc3OCCCC#N)cc2s1 ZINC000492311587 1042609118 /nfs/dbraw/zinc/60/91/18/1042609118.db2.gz JIHHDTGARJKQDV-UHFFFAOYSA-N 1 0 338.436 4.294 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000439440292 1042626895 /nfs/dbraw/zinc/62/68/95/1042626895.db2.gz NRHSWUHUFHVEFM-GOSISDBHSA-N 1 0 325.843 4.288 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c(Cl)c1 ZINC000439443843 1042626922 /nfs/dbraw/zinc/62/69/22/1042626922.db2.gz ARZDVZXXOFPZPT-HKUYNNGSSA-N 1 0 326.827 4.079 20 30 EIEDRO C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000439449156 1042634142 /nfs/dbraw/zinc/63/41/42/1042634142.db2.gz IASLCFPHEGCALU-IFXJQAMLSA-N 1 0 326.827 4.174 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000439449371 1042635628 /nfs/dbraw/zinc/63/56/28/1042635628.db2.gz GPEWJIQOBJYASB-KBAYOESNSA-N 1 0 332.875 4.237 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000506584126 1042637102 /nfs/dbraw/zinc/63/71/02/1042637102.db2.gz NEQBDXRQZLHJNU-UHFFFAOYSA-N 1 0 328.500 4.137 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)ccc1C#N ZINC000443967447 1042704861 /nfs/dbraw/zinc/70/48/61/1042704861.db2.gz MCBWMZKCKOBIBD-UHFFFAOYSA-N 1 0 345.402 4.002 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000439603903 1042706358 /nfs/dbraw/zinc/70/63/58/1042706358.db2.gz YOVSIUKDPJLCLF-HZPDHXFCSA-N 1 0 334.529 4.210 20 30 EIEDRO CCCC[C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000519035673 1042798354 /nfs/dbraw/zinc/79/83/54/1042798354.db2.gz BGYWEIIXGIGEEJ-QGZVFWFLSA-N 1 0 329.488 4.061 20 30 EIEDRO C=CCC[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccccc1 ZINC000130982490 1042835029 /nfs/dbraw/zinc/83/50/29/1042835029.db2.gz DFPJVIJSMRDMPN-HXUWFJFHSA-N 1 0 343.515 4.067 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)cc1F ZINC000579460724 1042865837 /nfs/dbraw/zinc/86/58/37/1042865837.db2.gz YBDDQYYACPOKJN-UHFFFAOYSA-N 1 0 339.414 4.094 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(C)cc(F)c1)[C@H]2CC ZINC001143586048 1042866481 /nfs/dbraw/zinc/86/64/81/1042866481.db2.gz RFSHLWYEZRGMJE-FPOVZHCZSA-N 1 0 344.474 4.056 20 30 EIEDRO CCCCCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001127273295 1042871038 /nfs/dbraw/zinc/87/10/38/1042871038.db2.gz MNYALHQUWDQDHG-FQEVSTJZSA-N 1 0 330.516 4.375 20 30 EIEDRO CC(C)(C)C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000507772558 1042872862 /nfs/dbraw/zinc/87/28/62/1042872862.db2.gz RWWBSPUKFFCJOW-UHFFFAOYSA-N 1 0 349.478 4.435 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]CC3CCCCCC3)CC2)nc1 ZINC000507773511 1042873644 /nfs/dbraw/zinc/87/36/44/1042873644.db2.gz URZSJOXTAOQJIO-UHFFFAOYSA-N 1 0 327.472 4.203 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000067401000 1042882382 /nfs/dbraw/zinc/88/23/82/1042882382.db2.gz DPNXMBAIXNGJGE-HXUWFJFHSA-N 1 0 340.854 4.157 20 30 EIEDRO Cc1ccc(SCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000237198091 1042922399 /nfs/dbraw/zinc/92/23/99/1042922399.db2.gz OQDDHNUQTNZGLD-UHFFFAOYSA-N 1 0 339.508 4.227 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000237208074 1042952681 /nfs/dbraw/zinc/95/26/81/1042952681.db2.gz KXDLWHCMZVULJL-QFIPXVFZSA-N 1 0 333.479 4.147 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3cccc(Br)c3)CCC2)C1 ZINC000442715164 1042958276 /nfs/dbraw/zinc/95/82/76/1042958276.db2.gz LKANQABRVZGAEX-CJNGLKHVSA-N 1 0 333.273 4.153 20 30 EIEDRO C[C@@H]1CC([NH2+]Cc2ccc(C#N)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168005230 1042963211 /nfs/dbraw/zinc/96/32/11/1042963211.db2.gz IBGWXYNNPDDKTQ-QZTJIDSGSA-N 1 0 333.479 4.089 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000925407637 1042995137 /nfs/dbraw/zinc/99/51/37/1042995137.db2.gz MLGNLNZWBWHAEJ-AWEZNQCLSA-N 1 0 328.485 4.056 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121621 1043106331 /nfs/dbraw/zinc/10/63/31/1043106331.db2.gz PIPSQCOHGUBJDZ-UHFFFAOYSA-N 1 0 344.833 4.072 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](COC)c2ccccc2)c(O)c1 ZINC000727061871 1043126237 /nfs/dbraw/zinc/12/62/37/1043126237.db2.gz PJBWMZKPBRTELA-ORTNRGLGSA-N 1 0 326.440 4.045 20 30 EIEDRO CC[C@H]([NH2+]Cc1cccc(OCC(F)F)c1)c1cccc(C#N)c1[O-] ZINC000925364243 1043136504 /nfs/dbraw/zinc/13/65/04/1043136504.db2.gz NTJLJNUXMHNCBX-KRWDZBQOSA-N 1 0 346.377 4.149 20 30 EIEDRO COc1ccccc1C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)C ZINC000543497454 1043141758 /nfs/dbraw/zinc/14/17/58/1043141758.db2.gz RXLULPREKWLHEQ-LJQANCHMSA-N 1 0 326.415 4.063 20 30 EIEDRO COc1ccc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1C#N ZINC000507848452 1043152246 /nfs/dbraw/zinc/15/22/46/1043152246.db2.gz AQKVESSHNKGEOB-UHFFFAOYSA-N 1 0 343.430 4.337 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H]1OCCc2sccc21 ZINC000429169546 1043183621 /nfs/dbraw/zinc/18/36/21/1043183621.db2.gz BEAPIEHKANFINW-SCLBCKFNSA-N 1 0 331.868 4.045 20 30 EIEDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000554971956 1043194640 /nfs/dbraw/zinc/19/46/40/1043194640.db2.gz FHHTWUZMLLZBFZ-HZPDHXFCSA-N 1 0 340.389 4.260 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000185804399 1043220143 /nfs/dbraw/zinc/22/01/43/1043220143.db2.gz XXQWFAGTCPCVNP-ROUUACIJSA-N 1 0 330.435 4.197 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c(OC2CCCC2)c1 ZINC000185850796 1043227246 /nfs/dbraw/zinc/22/72/46/1043227246.db2.gz HFTBHPIEZUSRGH-NVXWUHKLSA-N 1 0 328.456 4.189 20 30 EIEDRO N#Cc1cccc(C[NH2+]CCc2ccc(OCc3ccccc3)cc2)c1 ZINC000311562191 1043301547 /nfs/dbraw/zinc/30/15/47/1043301547.db2.gz YJJPRRSYBJMANC-UHFFFAOYSA-N 1 0 342.442 4.470 20 30 EIEDRO C=C[C@](C)(CC)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000187681210 1043368193 /nfs/dbraw/zinc/36/81/93/1043368193.db2.gz GAEPDFGVONDJOG-LJQANCHMSA-N 1 0 332.513 4.085 20 30 EIEDRO C=CCN1CC[C@@H]([NH2+][C@H](CCC)c2ccc(Cl)c(Cl)c2)C1=O ZINC000499602076 1043396381 /nfs/dbraw/zinc/39/63/81/1043396381.db2.gz JCKVZTCVJXEWJO-HZPDHXFCSA-N 1 0 341.282 4.211 20 30 EIEDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCc1cccc(C#N)c1 ZINC000467435797 1043401103 /nfs/dbraw/zinc/40/11/03/1043401103.db2.gz ZQSNTTODNZLCAN-AWEZNQCLSA-N 1 0 332.369 4.340 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000730024050 1043430592 /nfs/dbraw/zinc/43/05/92/1043430592.db2.gz ZXVGFRNNORHOBN-LSDHHAIUSA-N 1 0 328.481 4.141 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1csc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000730019863 1043436160 /nfs/dbraw/zinc/43/61/60/1043436160.db2.gz TYUTWUNVQGHVBF-KBPBESRZSA-N 1 0 349.459 4.451 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CCCCC)c2ccccc2)CC1 ZINC000730128490 1043450125 /nfs/dbraw/zinc/45/01/25/1043450125.db2.gz QFMJPPGMSBUUAN-FQEVSTJZSA-N 1 0 343.515 4.258 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000171128654 1043451837 /nfs/dbraw/zinc/45/18/37/1043451837.db2.gz DONKEKOYJLYBES-UHFFFAOYSA-N 1 0 333.347 4.016 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000494488553 1043514699 /nfs/dbraw/zinc/51/46/99/1043514699.db2.gz TYNPSPGGWFVBLF-MOPGFXCFSA-N 1 0 326.827 4.026 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(F)c(COC)c2)c(O)c1 ZINC000730733158 1043596552 /nfs/dbraw/zinc/59/65/52/1043596552.db2.gz VJIPNYCTZTYGHA-XKZIYDEJSA-N 1 0 344.430 4.143 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)c(Cl)c1 ZINC000658038148 1043640547 /nfs/dbraw/zinc/64/05/47/1043640547.db2.gz MOZGQSYMHBUDSW-GMXABZIVSA-N 1 0 344.680 4.344 20 30 EIEDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000189818758 1043650410 /nfs/dbraw/zinc/65/04/10/1043650410.db2.gz GDOWERUYRPIMMC-SECBINFHSA-N 1 0 347.274 4.273 20 30 EIEDRO N#Cc1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000078618368 1043702597 /nfs/dbraw/zinc/70/25/97/1043702597.db2.gz XFYVPXANKGUQLZ-KRWDZBQOSA-N 1 0 339.870 4.188 20 30 EIEDRO Clc1cccc(C#CC[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000543061807 1043704293 /nfs/dbraw/zinc/70/42/93/1043704293.db2.gz KKABMBZRCXSDDX-UHFFFAOYSA-N 1 0 341.886 4.080 20 30 EIEDRO COc1ccc2cc(C[N@H+](C)Cc3ccc(OCC#N)cc3)ccc2c1 ZINC000731210528 1043712681 /nfs/dbraw/zinc/71/26/81/1043712681.db2.gz PPNGLPRYVKZZHO-UHFFFAOYSA-N 1 0 346.430 4.383 20 30 EIEDRO Cc1ccc(C[C@H]2CCC[N@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000731212036 1043714165 /nfs/dbraw/zinc/71/41/65/1043714165.db2.gz OXIJSIOQCXNWRK-OAQYLSRUSA-N 1 0 334.463 4.352 20 30 EIEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000731213202 1043716056 /nfs/dbraw/zinc/71/60/56/1043716056.db2.gz WNROITPTQFBLFT-FQEVSTJZSA-N 1 0 336.435 4.325 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000078708748 1043738134 /nfs/dbraw/zinc/73/81/34/1043738134.db2.gz SKVZKEXHIHOBAJ-LLVKDONJSA-N 1 0 347.871 4.179 20 30 EIEDRO C[C@H]1CCC[C@H](C)[NH+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000039292849 1043747556 /nfs/dbraw/zinc/74/75/56/1043747556.db2.gz UDTUYYWLDAEMHO-KBPBESRZSA-N 1 0 345.512 4.090 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2cccs2)n1 ZINC000731661878 1043812447 /nfs/dbraw/zinc/81/24/47/1043812447.db2.gz UZOLXKCXKHCPFR-UHFFFAOYSA-N 1 0 336.464 4.351 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CN3CCc4ccccc43)cc2)C1 ZINC000442720708 1043822914 /nfs/dbraw/zinc/82/29/14/1043822914.db2.gz UDYBCLDZPYWPOP-TZIWHRDSSA-N 1 0 331.463 4.031 20 30 EIEDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442792469 1043841211 /nfs/dbraw/zinc/84/12/11/1043841211.db2.gz QDBCFJDMKPRESS-TZMCWYRMSA-N 1 0 326.362 4.274 20 30 EIEDRO COCCCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000191961606 1043859160 /nfs/dbraw/zinc/85/91/60/1043859160.db2.gz PGFBITDJSVULQS-UHFFFAOYSA-N 1 0 326.415 4.126 20 30 EIEDRO CC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)Oc1ccccc1C(F)(F)F ZINC000442863362 1043866976 /nfs/dbraw/zinc/86/69/76/1043866976.db2.gz CNHAQUJEVWDLGZ-MGPQQGTHSA-N 1 0 326.362 4.145 20 30 EIEDRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC1CCC(C#N)CC1)CCC2 ZINC000442874218 1043873540 /nfs/dbraw/zinc/87/35/40/1043873540.db2.gz SOGBBTLHJBDWRJ-UYSNPLJNSA-N 1 0 344.455 4.062 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]CC2CCC(C#N)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000442858759 1043877224 /nfs/dbraw/zinc/87/72/24/1043877224.db2.gz SYFPBASVWRFLOG-WTNGLUPJSA-N 1 0 327.428 4.237 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1O ZINC000732180664 1043882639 /nfs/dbraw/zinc/88/26/39/1043882639.db2.gz CWQPTRBRDUYJJQ-MRXNPFEDSA-N 1 0 327.424 4.102 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 ZINC000161636998 1043936662 /nfs/dbraw/zinc/93/66/62/1043936662.db2.gz RQESJDXWTYAABK-HXUWFJFHSA-N 1 0 334.467 4.053 20 30 EIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000443062067 1043980449 /nfs/dbraw/zinc/98/04/49/1043980449.db2.gz ADYVPPCYGRGLJS-GOSISDBHSA-N 1 0 344.842 4.040 20 30 EIEDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000443200409 1044088443 /nfs/dbraw/zinc/08/84/43/1044088443.db2.gz GDXMQHSLIFVHDW-MRUHUIDDSA-N 1 0 339.458 4.348 20 30 EIEDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1)N(C)C ZINC000443198129 1044088608 /nfs/dbraw/zinc/08/86/08/1044088608.db2.gz BTMOQGQHHZIGLC-XFQAVAEZSA-N 1 0 339.458 4.348 20 30 EIEDRO Clc1ccc(C#CC[NH+]2CCC3(CC2)OCc2ccccc23)cc1 ZINC000675324399 1044149866 /nfs/dbraw/zinc/14/98/66/1044149866.db2.gz DCLLXYXUJWKATD-UHFFFAOYSA-N 1 0 337.850 4.213 20 30 EIEDRO C[N@@H+]1CCC[C@H](c2nc(-c3ccc(-c4ccc(C#N)cc4)cc3)no2)C1 ZINC001211877138 1044163281 /nfs/dbraw/zinc/16/32/81/1044163281.db2.gz BAHVQFYNSKBJQB-IBGZPJMESA-N 1 0 344.418 4.084 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)cc1 ZINC000733327108 1044189853 /nfs/dbraw/zinc/18/98/53/1044189853.db2.gz KJWUSWRIBAVOQU-KRWDZBQOSA-N 1 0 345.446 4.044 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CC(C)(C)c2ccccc2OC)cc1 ZINC000733326241 1044194346 /nfs/dbraw/zinc/19/43/46/1044194346.db2.gz QYGOOTKRNXGFFL-UHFFFAOYSA-N 1 0 337.463 4.165 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1O ZINC000766114438 1044210152 /nfs/dbraw/zinc/21/01/52/1044210152.db2.gz DHRSDDOKSQYKEK-ZDUSSCGKSA-N 1 0 343.389 4.294 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccc(Br)c(F)c1 ZINC000467449341 1044219975 /nfs/dbraw/zinc/21/99/75/1044219975.db2.gz OYCDWBVCYOFONQ-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168714540 1044263379 /nfs/dbraw/zinc/26/33/79/1044263379.db2.gz CFBFDGFXPPUQOC-GOSISDBHSA-N 1 0 336.866 4.365 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)Oc1ccccc1F ZINC000174602026 1044292046 /nfs/dbraw/zinc/29/20/46/1044292046.db2.gz LWDYCKLBOMJKPM-INIZCTEOSA-N 1 0 342.414 4.065 20 30 EIEDRO C[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)Oc1ccc(F)cc1 ZINC000174603029 1044293494 /nfs/dbraw/zinc/29/34/94/1044293494.db2.gz CPQSVPBTFGRQGN-MRXNPFEDSA-N 1 0 342.414 4.065 20 30 EIEDRO CC(C)c1nc(C#N)c(N=NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)o1 ZINC000733746701 1044298912 /nfs/dbraw/zinc/29/89/12/1044298912.db2.gz ACJJXEGSPSROGH-GOEBONIOSA-N 1 0 343.475 4.112 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(OC)cc2Cl)c1 ZINC000733800238 1044315857 /nfs/dbraw/zinc/31/58/57/1044315857.db2.gz JAGVDQPQRHJMOF-MRXNPFEDSA-N 1 0 344.842 4.319 20 30 EIEDRO C=CC[C@H](CC)NC(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000466386165 1044349826 /nfs/dbraw/zinc/34/98/26/1044349826.db2.gz NUCXWWTWGPKFED-HOJAQTOUSA-N 1 0 343.515 4.208 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000922270973 1044371520 /nfs/dbraw/zinc/37/15/20/1044371520.db2.gz ZXKXEPWYTBVPIT-FQEVSTJZSA-N 1 0 342.446 4.138 20 30 EIEDRO C=CC[C@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000494821590 1044385480 /nfs/dbraw/zinc/38/54/80/1044385480.db2.gz LQGYKDRZNRFGKB-QIJZPMMNSA-N 1 0 340.511 4.210 20 30 EIEDRO C[C@H]1CC(NCc2ccc(C#N)s2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168021540 1044437800 /nfs/dbraw/zinc/43/78/00/1044437800.db2.gz PWLILTROYJQQIJ-HOTGVXAUSA-N 1 0 339.508 4.151 20 30 EIEDRO COc1c(Cl)cc(Cl)cc1C[NH2+]CCc1cccc(C#N)c1 ZINC000466420611 1044443059 /nfs/dbraw/zinc/44/30/59/1044443059.db2.gz DEDSVWPJRIACTP-UHFFFAOYSA-N 1 0 335.234 4.206 20 30 EIEDRO C[NH+](C)CCc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000466437582 1044464241 /nfs/dbraw/zinc/46/42/41/1044464241.db2.gz CZWJPPHEGLGABV-UHFFFAOYSA-N 1 0 347.384 4.293 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2COC)c(O)c1 ZINC000914557821 1044482661 /nfs/dbraw/zinc/48/26/61/1044482661.db2.gz LQUCOQVWECXPHG-KGENOOAVSA-N 1 0 326.440 4.004 20 30 EIEDRO C=C(C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 ZINC000675784545 1044496414 /nfs/dbraw/zinc/49/64/14/1044496414.db2.gz YRDWZMFQXAJRCS-INIZCTEOSA-N 1 0 335.451 4.335 20 30 EIEDRO C=C(C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)c1ccccc1 ZINC000675783205 1044496767 /nfs/dbraw/zinc/49/67/67/1044496767.db2.gz DHSITXDNZLVQRM-SFHVURJKSA-N 1 0 347.462 4.363 20 30 EIEDRO CC(F)(F)C(C)(C)C[NH2+]Cc1cc(C#N)ccc1Br ZINC000922315477 1044507585 /nfs/dbraw/zinc/50/75/85/1044507585.db2.gz LISOGSGZLYHZSL-UHFFFAOYSA-N 1 0 331.204 4.092 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)cs1 ZINC000922318729 1044515603 /nfs/dbraw/zinc/51/56/03/1044515603.db2.gz MRHNXXYLRIICIH-SJORKVTESA-N 1 0 332.856 4.283 20 30 EIEDRO C=CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000494922196 1044519056 /nfs/dbraw/zinc/51/90/56/1044519056.db2.gz OAFBYQAFHCSSCW-YADHBBJMSA-N 1 0 348.490 4.300 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000439321831 1044549289 /nfs/dbraw/zinc/54/92/89/1044549289.db2.gz KQOLDCVAAAXAEY-MJGOQNOKSA-N 1 0 347.462 4.155 20 30 EIEDRO C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)C1CCCCC1 ZINC000542531266 1044575639 /nfs/dbraw/zinc/57/56/39/1044575639.db2.gz LKZQAXKJHVNFGB-CABCVRRESA-N 1 0 338.455 4.303 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000495051228 1044617963 /nfs/dbraw/zinc/61/79/63/1044617963.db2.gz SBIADYZRTMTFPW-LIRRHRJNSA-N 1 0 333.834 4.343 20 30 EIEDRO CC[N@H+](Cc1ccnn1-c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000474147690 1044686994 /nfs/dbraw/zinc/68/69/94/1044686994.db2.gz QSCOKJPDSBMYNP-INIZCTEOSA-N 1 0 348.425 4.466 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1cc(OC)ccc1OC(F)F ZINC000495110250 1044687816 /nfs/dbraw/zinc/68/78/16/1044687816.db2.gz RXEUDHBLJMEZGI-UHFFFAOYSA-N 1 0 337.366 4.120 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000191425936 1044689274 /nfs/dbraw/zinc/68/92/74/1044689274.db2.gz SAMKSQAPBSPNLA-INIZCTEOSA-N 1 0 331.504 4.390 20 30 EIEDRO C=CC[C@@H](C(=O)NC[C@H](c1ccco1)[NH+](CC)CC)c1ccccc1 ZINC000495145519 1044720543 /nfs/dbraw/zinc/72/05/43/1044720543.db2.gz GPFRRXZPUHJMIY-RTBURBONSA-N 1 0 340.467 4.139 20 30 EIEDRO COc1ccc(C[NH2+]C[C@]23C[C@H]2CCCC3)cc1OCCCC#N ZINC000922427235 1044721260 /nfs/dbraw/zinc/72/12/60/1044721260.db2.gz NUWWORIWAOAEFX-XLIONFOSSA-N 1 0 328.456 4.048 20 30 EIEDRO C[N@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCc2ccccc21 ZINC000735306540 1044782725 /nfs/dbraw/zinc/78/27/25/1044782725.db2.gz PAMQDTQEWSSBHA-SFHVURJKSA-N 1 0 326.827 4.362 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000735305698 1044792286 /nfs/dbraw/zinc/79/22/86/1044792286.db2.gz CFFIGKJQRIBJGG-IBGZPJMESA-N 1 0 340.854 4.449 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000735309480 1044799993 /nfs/dbraw/zinc/79/99/93/1044799993.db2.gz FWASXJGGXCHTCA-INIZCTEOSA-N 1 0 326.827 4.232 20 30 EIEDRO CC(C)[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)c1ccccc1 ZINC000428879576 1044814995 /nfs/dbraw/zinc/81/49/95/1044814995.db2.gz HMASMXODXMENPA-GOSISDBHSA-N 1 0 341.499 4.143 20 30 EIEDRO C[C@H]1C[C@H](N(C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318570 1044830101 /nfs/dbraw/zinc/83/01/01/1044830101.db2.gz TWFDGQZNIJJXGY-QFBILLFUSA-N 1 0 339.508 4.105 20 30 EIEDRO C[C@@H]1C[C@@H](N(C)Cc2cc(C#N)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000093318571 1044831072 /nfs/dbraw/zinc/83/10/72/1044831072.db2.gz TWFDGQZNIJJXGY-APWZRJJASA-N 1 0 339.508 4.105 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC000735677965 1044855007 /nfs/dbraw/zinc/85/50/07/1044855007.db2.gz SYDRNSIQPQYPJT-UYAOXDASSA-N 1 0 329.484 4.020 20 30 EIEDRO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c1 ZINC000093841008 1044857080 /nfs/dbraw/zinc/85/70/80/1044857080.db2.gz GNYHESXKWBRLIB-CQSZACIVSA-N 1 0 343.521 4.335 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])c1 ZINC000467460302 1044879482 /nfs/dbraw/zinc/87/94/82/1044879482.db2.gz VIQUERPWHWQQLG-UYAOXDASSA-N 1 0 349.434 4.010 20 30 EIEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000543603903 1044902694 /nfs/dbraw/zinc/90/26/94/1044902694.db2.gz XYJYHSJKJMFXBD-LSDHHAIUSA-N 1 0 337.305 4.220 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)cc1C#N ZINC000922759839 1044931444 /nfs/dbraw/zinc/93/14/44/1044931444.db2.gz WAOVUSOZQZCAKR-UHFFFAOYSA-N 1 0 334.341 4.098 20 30 EIEDRO C[C@@H]1C[C@@H](NCc2csc(C#N)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034567 1044952410 /nfs/dbraw/zinc/95/24/10/1044952410.db2.gz QPZKKQJJYJMCAK-HGKCTWBKSA-N 1 0 339.508 4.151 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC000766003428 1045024168 /nfs/dbraw/zinc/02/41/68/1045024168.db2.gz VDSKFBGJUXMLAM-JXFKEZNVSA-N 1 0 345.870 4.376 20 30 EIEDRO C=CCC1([NH2+]CC(=O)N(C)c2nc3ccccc3s2)CCCCC1 ZINC000625935175 1045047045 /nfs/dbraw/zinc/04/70/45/1045047045.db2.gz QBSFTKKGZLJVKP-UHFFFAOYSA-N 1 0 343.496 4.128 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000282541367 1045054742 /nfs/dbraw/zinc/05/47/42/1045054742.db2.gz ZUGKPWRDOUVHGH-UHFFFAOYSA-N 1 0 339.395 4.274 20 30 EIEDRO COC1(C[C@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCC1 ZINC000429429170 1045130083 /nfs/dbraw/zinc/13/00/83/1045130083.db2.gz QGNSRLBRERAYLY-IVMQYODDSA-N 1 0 342.483 4.186 20 30 EIEDRO FC(F)C1CC(=[NH+]n2cnnc2SCc2ccc(Cl)cc2)C1 ZINC000766014603 1045148469 /nfs/dbraw/zinc/14/84/69/1045148469.db2.gz GNLQEZWLQQEKKS-UHFFFAOYSA-N 1 0 342.802 4.103 20 30 EIEDRO Cc1cc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)ccc1C#N ZINC000487921287 1045158838 /nfs/dbraw/zinc/15/88/38/1045158838.db2.gz QVCHLFSEKWEQRO-UHFFFAOYSA-N 1 0 344.462 4.321 20 30 EIEDRO CSc1cc(C)ccc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000153528716 1045204634 /nfs/dbraw/zinc/20/46/34/1045204634.db2.gz GEDGDZMSBSUBFT-HNNXBMFYSA-N 1 0 326.465 4.298 20 30 EIEDRO CCCC[C@H](CC)C[N@@H+]1CCC[C@]2(CCCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001272610542 1045208691 /nfs/dbraw/zinc/20/86/91/1045208691.db2.gz IGNVEAKWIFEAST-DYXWJJEUSA-N 1 0 347.547 4.067 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)c2ccccc2Cl)c(O)c1 ZINC000740763879 1045218202 /nfs/dbraw/zinc/21/82/02/1045218202.db2.gz SAVODAIKLXEARF-MRUVXERFSA-N 1 0 346.858 4.044 20 30 EIEDRO CC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC001168741681 1045248508 /nfs/dbraw/zinc/24/85/08/1045248508.db2.gz OCQGFCKKUKQKJV-GOSISDBHSA-N 1 0 328.799 4.341 20 30 EIEDRO C=CC[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477579 1045254043 /nfs/dbraw/zinc/25/40/43/1045254043.db2.gz VMPRVQGIVMTPBG-RTWAWAEBSA-N 1 0 335.495 4.342 20 30 EIEDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611198452 1045262498 /nfs/dbraw/zinc/26/24/98/1045262498.db2.gz SFKMTWKMAUJYHA-HNAYVOBHSA-N 1 0 338.451 4.247 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CCOc2ccccc21 ZINC000611276541 1045273319 /nfs/dbraw/zinc/27/33/19/1045273319.db2.gz JCSVSKRXDQAIJS-NRSPTQNISA-N 1 0 332.447 4.324 20 30 EIEDRO N#Cc1ccc2nc(N3CCC(C[NH+]4CCCCCC4)CC3)ccc2c1 ZINC000611305219 1045275269 /nfs/dbraw/zinc/27/52/69/1045275269.db2.gz WZYSHLQKZHWMEA-UHFFFAOYSA-N 1 0 348.494 4.199 20 30 EIEDRO C[N@@H+](Cc1cccc(C#N)c1F)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611371287 1045290543 /nfs/dbraw/zinc/29/05/43/1045290543.db2.gz JEUCGCKNZYSTIX-CTNGQTDRSA-N 1 0 338.426 4.297 20 30 EIEDRO Cc1cccc2c1ncc(C#N)c2N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000611370407 1045291318 /nfs/dbraw/zinc/29/13/18/1045291318.db2.gz NENDGIVATWDXGI-SCTDSRPQSA-N 1 0 348.494 4.257 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc2[nH]c(=O)oc2c1 ZINC000611366218 1045293296 /nfs/dbraw/zinc/29/32/96/1045293296.db2.gz SFAJLVINDVWCPI-GOSISDBHSA-N 1 0 339.370 4.031 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCSCc1ccccc1C#N ZINC000611391717 1045296881 /nfs/dbraw/zinc/29/68/81/1045296881.db2.gz DHOODHMRMJBFPJ-OAQYLSRUSA-N 1 0 347.487 4.330 20 30 EIEDRO COc1cccc(O[C@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611393123 1045299532 /nfs/dbraw/zinc/29/95/32/1045299532.db2.gz KDFIAWQGSKTSII-VFNWGFHPSA-N 1 0 336.435 4.001 20 30 EIEDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000611390226 1045301914 /nfs/dbraw/zinc/30/19/14/1045301914.db2.gz LABMIYKCABPGGW-OAQYLSRUSA-N 1 0 347.462 4.320 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000611391059 1045302679 /nfs/dbraw/zinc/30/26/79/1045302679.db2.gz OOJVSAZXHVOVHQ-OAQYLSRUSA-N 1 0 347.462 4.442 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)C1CCCCC1 ZINC000611433736 1045307839 /nfs/dbraw/zinc/30/78/39/1045307839.db2.gz OMZJOCYHNWVTLZ-MRXNPFEDSA-N 1 0 333.501 4.124 20 30 EIEDRO COc1c(Br)cccc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611438703 1045308643 /nfs/dbraw/zinc/30/86/43/1045308643.db2.gz LIISRPZMUKNHAN-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO Cn1cc(C[NH2+]CCCCc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000611497496 1045317713 /nfs/dbraw/zinc/31/77/13/1045317713.db2.gz UQIQFGFFGDJCPO-UHFFFAOYSA-N 1 0 344.462 4.071 20 30 EIEDRO CC(C)COc1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000171676153 1045331798 /nfs/dbraw/zinc/33/17/98/1045331798.db2.gz USVMKKDJISAIFR-KRWDZBQOSA-N 1 0 338.451 4.475 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(C)ccc2OC(F)F)cc1 ZINC000237690063 1045392470 /nfs/dbraw/zinc/39/24/70/1045392470.db2.gz ZBHJXQDCBFMAHV-UHFFFAOYSA-N 1 0 333.378 4.451 20 30 EIEDRO CCOc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1OC ZINC000193613456 1045392786 /nfs/dbraw/zinc/39/27/86/1045392786.db2.gz OLRLWANKNRZJGM-UHFFFAOYSA-N 1 0 336.435 4.130 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1Cl ZINC000915681778 1045447155 /nfs/dbraw/zinc/44/71/55/1045447155.db2.gz LGCQJZSMYZRIKN-AWEZNQCLSA-N 1 0 341.842 4.027 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1ccc(C#N)c(F)c1 ZINC000272559270 1045511685 /nfs/dbraw/zinc/51/16/85/1045511685.db2.gz DVLXVHFLQCPISZ-XIKOKIGWSA-N 1 0 328.362 4.401 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cc1 ZINC000790700790 1045562227 /nfs/dbraw/zinc/56/22/27/1045562227.db2.gz FTOYWCNLXCLATD-PBHICJAKSA-N 1 0 325.880 4.264 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000767693126 1045615476 /nfs/dbraw/zinc/61/54/76/1045615476.db2.gz YJWWXXGUZOEQGT-WNSCPLKPSA-N 1 0 330.472 4.149 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCOC3(CCCC3)C2)c(O)c1 ZINC000767693116 1045616034 /nfs/dbraw/zinc/61/60/34/1045616034.db2.gz YJWWXXGUZOEQGT-LBSLPOPVSA-N 1 0 330.472 4.149 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000768363692 1045798544 /nfs/dbraw/zinc/79/85/44/1045798544.db2.gz BRKHFMLIVIALJV-OAQYLSRUSA-N 1 0 333.479 4.101 20 30 EIEDRO C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768407833 1045803235 /nfs/dbraw/zinc/80/32/35/1045803235.db2.gz RRRFDKBSVPXKBY-OMMGITJUSA-N 1 0 338.451 4.085 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/CCO[C@@H]2CCCC[C@H]2C)c(O)c1 ZINC000915978518 1045850051 /nfs/dbraw/zinc/85/00/51/1045850051.db2.gz HOPNUVQQEXYLAV-ZNVNJADUSA-N 1 0 332.488 4.253 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1C/N=C/c1cccc(O)c1O ZINC000915979424 1045851176 /nfs/dbraw/zinc/85/11/76/1045851176.db2.gz PDJQACSRQZNCEQ-SITPEIFSSA-N 1 0 338.451 4.091 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(COC)c2)c(O)c1 ZINC000915979349 1045851749 /nfs/dbraw/zinc/85/17/49/1045851749.db2.gz NZKUXIXGNHWJOX-KGENOOAVSA-N 1 0 326.440 4.004 20 30 EIEDRO Cc1ccccc1C[NH+]1CCC(/N=C/c2cc(Cl)ccc2O)CC1 ZINC000915983075 1045854990 /nfs/dbraw/zinc/85/49/90/1045854990.db2.gz PAKQNBXLZPNNHM-LPYMAVHISA-N 1 0 342.870 4.438 20 30 EIEDRO c1ccc(CC[NH+]2CCC(N=Nc3cccc4ncccc34)CC2)cc1 ZINC000915964504 1045858403 /nfs/dbraw/zinc/85/84/03/1045858403.db2.gz AYYZUWYIKJGRGO-UHFFFAOYSA-N 1 0 344.462 4.341 20 30 EIEDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000248589096 1045876086 /nfs/dbraw/zinc/87/60/86/1045876086.db2.gz QSLZJPKYGWZAKX-ZNMIVQPWSA-N 1 0 333.501 4.044 20 30 EIEDRO C#CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCCCC1 ZINC000769145193 1045883304 /nfs/dbraw/zinc/88/33/04/1045883304.db2.gz DTAATUZEYNRHGD-UHFFFAOYSA-N 1 0 346.478 4.232 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000249254533 1045895898 /nfs/dbraw/zinc/89/58/98/1045895898.db2.gz GHCIPVGRLWFLDB-FRFSOERESA-N 1 0 335.373 4.375 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C2CC2)cc1 ZINC000237362333 1045922051 /nfs/dbraw/zinc/92/20/51/1045922051.db2.gz PXCGCZULPJFUJE-QVKFZJNVSA-N 1 0 336.435 4.227 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC001170355406 1046010448 /nfs/dbraw/zinc/01/04/48/1046010448.db2.gz DARMEGLXLWUHND-UHFFFAOYSA-N 1 0 325.843 4.229 20 30 EIEDRO COc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)ccc1F ZINC001170365227 1046015089 /nfs/dbraw/zinc/01/50/89/1046015089.db2.gz QYEHQWRRQNRXLE-UHFFFAOYSA-N 1 0 338.426 4.328 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cncc(Cl)c2)CC1 ZINC001170365017 1046015778 /nfs/dbraw/zinc/01/57/78/1046015778.db2.gz MITKSPXBSUCZQJ-UHFFFAOYSA-N 1 0 325.843 4.229 20 30 EIEDRO Cc1cccc(C2([NH2+]C3CCC(C#N)(c4ccccc4)CC3)COC2)c1 ZINC001170362331 1046015880 /nfs/dbraw/zinc/01/58/80/1046015880.db2.gz XNODKWROZXHPEV-UHFFFAOYSA-N 1 0 346.474 4.214 20 30 EIEDRO COc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1F ZINC001170371923 1046017652 /nfs/dbraw/zinc/01/76/52/1046017652.db2.gz OKGRCZHFPMMPBT-UHFFFAOYSA-N 1 0 338.426 4.328 20 30 EIEDRO Cc1ccccc1C1([NH2+]C2CCC(C#N)(c3ccccc3)CC2)COC1 ZINC001170371914 1046018089 /nfs/dbraw/zinc/01/80/89/1046018089.db2.gz NQKPLVGTIYGJCA-UHFFFAOYSA-N 1 0 346.474 4.214 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001170379459 1046034853 /nfs/dbraw/zinc/03/48/53/1046034853.db2.gz ZAAGMLCKASZDSQ-LXPRWKDFSA-N 1 0 336.401 4.460 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+]CC(C)(C)CCC#N ZINC000496719161 1046036208 /nfs/dbraw/zinc/03/62/08/1046036208.db2.gz MACVGKGOXMOJFQ-INIZCTEOSA-N 1 0 337.508 4.086 20 30 EIEDRO CN(C[C@H]1CCC[N@@H+]1CCCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000769728035 1046055929 /nfs/dbraw/zinc/05/59/29/1046055929.db2.gz IRBNDHLVFYRTLZ-MRXNPFEDSA-N 1 0 337.508 4.038 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)ccc1C#N ZINC000488135374 1046105842 /nfs/dbraw/zinc/10/58/42/1046105842.db2.gz FZSALKUBSZZXFE-HXUWFJFHSA-N 1 0 336.410 4.243 20 30 EIEDRO C=CC[C@H]1[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CCCC1(C)C ZINC000769953414 1046108570 /nfs/dbraw/zinc/10/85/70/1046108570.db2.gz LYLBJUQWDSIHQR-QZTJIDSGSA-N 1 0 328.456 4.079 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)CSc2ccc(C)cc2)cc1C#N ZINC000769934463 1046116183 /nfs/dbraw/zinc/11/61/83/1046116183.db2.gz GABPPIXNYUTECZ-HNNXBMFYSA-N 1 0 326.465 4.146 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000763412027 1046144958 /nfs/dbraw/zinc/14/49/58/1046144958.db2.gz CSXJIIZNFKMWFT-CKJXQJPGSA-N 1 0 341.426 4.001 20 30 EIEDRO Clc1cccc(N=NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000793173691 1046162525 /nfs/dbraw/zinc/16/25/25/1046162525.db2.gz BDZQURMJXNNQQR-CALCHBBNSA-N 1 0 340.858 4.330 20 30 EIEDRO CC(N=Nc1cccc(Cl)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793175397 1046164822 /nfs/dbraw/zinc/16/48/22/1046164822.db2.gz UBEBNIRMXBNTSL-MRXNPFEDSA-N 1 0 328.847 4.045 20 30 EIEDRO N#Cc1csc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000770294838 1046174716 /nfs/dbraw/zinc/17/47/16/1046174716.db2.gz QVLCTGHNLDIZIC-ICSRJNTNSA-N 1 0 340.492 4.488 20 30 EIEDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000282068265 1046314275 /nfs/dbraw/zinc/31/42/75/1046314275.db2.gz SSMJQWVIVVPUBE-WMZOPIPTSA-N 1 0 330.447 4.104 20 30 EIEDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000179327829 1046322613 /nfs/dbraw/zinc/32/26/13/1046322613.db2.gz FYCIGVHMZDKGJJ-UHFFFAOYSA-N 1 0 337.467 4.067 20 30 EIEDRO N#Cc1c(Cl)nsc1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000771221579 1046356014 /nfs/dbraw/zinc/35/60/14/1046356014.db2.gz GEFYBYFHWMVTIN-HNNXBMFYSA-N 1 0 346.887 4.307 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCc3ccc(Br)cc32)cc1 ZINC000771380004 1046378462 /nfs/dbraw/zinc/37/84/62/1046378462.db2.gz DXCXFNOEIAHRDT-GOSISDBHSA-N 1 0 341.252 4.488 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1sc(CCOC)nc1C)c1ccncc1 ZINC000771392098 1046395258 /nfs/dbraw/zinc/39/52/58/1046395258.db2.gz TWRDQSNCVYWKKF-XJKSGUPXSA-N 1 0 331.485 4.003 20 30 EIEDRO C[NH+]1CCN(c2ccc(/C=C\C(=O)c3ccc(Cl)s3)cc2)CC1 ZINC000771522231 1046433007 /nfs/dbraw/zinc/43/30/07/1046433007.db2.gz ZYICGMAMSLEUFW-DAXSKMNVSA-N 1 0 346.883 4.049 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000497232405 1046448709 /nfs/dbraw/zinc/44/87/09/1046448709.db2.gz LTODKWCFEDTQBB-KZNAEPCWSA-N 1 0 349.519 4.228 20 30 EIEDRO CC[N@H+](CCc1cccs1)Cc1cccc(OCCCC#N)c1 ZINC000508736531 1046454824 /nfs/dbraw/zinc/45/48/24/1046454824.db2.gz XOJWJIYFRYTHPW-UHFFFAOYSA-N 1 0 328.481 4.495 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(C)ccc2OC)cc1OC ZINC000066236457 1046597081 /nfs/dbraw/zinc/59/70/81/1046597081.db2.gz PWHHWOYQAJXDQZ-MRXNPFEDSA-N 1 0 341.451 4.428 20 30 EIEDRO CC[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170458028 1046637571 /nfs/dbraw/zinc/63/75/71/1046637571.db2.gz FMDAQGKBJTZHGU-OSYLJGHBSA-N 1 0 349.519 4.227 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](SCC)C2)cc1OC ZINC000536667307 1046643829 /nfs/dbraw/zinc/64/38/29/1046643829.db2.gz WVCJMZWMLJHMHZ-IAGOWNOFSA-N 1 0 335.513 4.366 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)ccc1OC ZINC000127380081 1046660989 /nfs/dbraw/zinc/66/09/89/1046660989.db2.gz FYBOPPCQROWUPE-GOSISDBHSA-N 1 0 326.440 4.315 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000459456617 1046690722 /nfs/dbraw/zinc/69/07/22/1046690722.db2.gz CDSJINICXSBTSO-ZFWWWQNUSA-N 1 0 326.362 4.146 20 30 EIEDRO C=CCOc1ccc(C[N@H+](CC)CCc2nccs2)cc1Cl ZINC000536697932 1046697539 /nfs/dbraw/zinc/69/75/39/1046697539.db2.gz ZQBJXSOMTHGCTK-UHFFFAOYSA-N 1 0 336.888 4.426 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459536146 1046750979 /nfs/dbraw/zinc/75/09/79/1046750979.db2.gz YAPIUJYABAIQIY-QGZVFWFLSA-N 1 0 332.447 4.183 20 30 EIEDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000536843807 1046817328 /nfs/dbraw/zinc/81/73/28/1046817328.db2.gz FHMSJBDEFXRBOQ-YOLZPYMBSA-N 1 0 340.511 4.431 20 30 EIEDRO CC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000536876886 1046840298 /nfs/dbraw/zinc/84/02/98/1046840298.db2.gz OTKLIODSZNWLQM-QGZVFWFLSA-N 1 0 346.377 4.279 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000786580236 1046849825 /nfs/dbraw/zinc/84/98/25/1046849825.db2.gz OASIOEFMQLTBRR-GOSISDBHSA-N 1 0 339.460 4.034 20 30 EIEDRO CC(C)(CC#N)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000459685634 1046856691 /nfs/dbraw/zinc/85/66/91/1046856691.db2.gz FOYRUPFVSLDMJQ-UHFFFAOYSA-N 1 0 333.435 4.167 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(Br)cs1 ZINC000786858835 1046876258 /nfs/dbraw/zinc/87/62/58/1046876258.db2.gz DSLLLYHEBBQPJB-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2C)c1 ZINC000786916528 1046881337 /nfs/dbraw/zinc/88/13/37/1046881337.db2.gz MBPDSIHSOLZDSN-CRAIPNDOSA-N 1 0 340.471 4.304 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cnn1-c1ccccc1 ZINC000787025358 1046893629 /nfs/dbraw/zinc/89/36/29/1046893629.db2.gz GEPZJQDTHXMXPD-QRQCRPRQSA-N 1 0 342.446 4.391 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787035642 1046896500 /nfs/dbraw/zinc/89/65/00/1046896500.db2.gz NAVOGFBOJCXEBZ-OALUTQOASA-N 1 0 344.817 4.051 20 30 EIEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114754 1046964540 /nfs/dbraw/zinc/96/45/40/1046964540.db2.gz GSFDLTJVANEJMA-GJZGRUSLSA-N 1 0 342.870 4.348 20 30 EIEDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001170075572 1047031227 /nfs/dbraw/zinc/03/12/27/1047031227.db2.gz SSYMZRICMZMQPK-DOTOQJQBSA-N 1 0 330.447 4.367 20 30 EIEDRO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C#N)C2)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170491016 1047037701 /nfs/dbraw/zinc/03/77/01/1047037701.db2.gz HYVLUNLKDIZQMM-ZJPYXAASSA-N 1 0 349.519 4.179 20 30 EIEDRO CC1(COC(=O)CCCCCC#N)CC[NH+](Cc2ccccc2)CC1 ZINC000805892621 1047045272 /nfs/dbraw/zinc/04/52/72/1047045272.db2.gz MEDWDZQRWMXNPK-UHFFFAOYSA-N 1 0 342.483 4.306 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)C ZINC000537289782 1047069661 /nfs/dbraw/zinc/06/96/61/1047069661.db2.gz DCGFUWCWMOBTOT-YOEHRIQHSA-N 1 0 347.528 4.434 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)s1 ZINC000537320332 1047107806 /nfs/dbraw/zinc/10/78/06/1047107806.db2.gz IIEXJXGJRAIYGK-UHFFFAOYSA-N 1 0 347.443 4.162 20 30 EIEDRO C#CCC1(C(=O)NCCCCCCC[NH+]2CCCC2)CCCCC1 ZINC000788172439 1047128678 /nfs/dbraw/zinc/12/86/78/1047128678.db2.gz MOGAMUNDOSEAKX-UHFFFAOYSA-N 1 0 332.532 4.123 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806133771 1047128573 /nfs/dbraw/zinc/12/85/73/1047128573.db2.gz DLEAUGCDHIXYID-MRXNPFEDSA-N 1 0 343.883 4.117 20 30 EIEDRO C#CCC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCCC1 ZINC000788210211 1047132351 /nfs/dbraw/zinc/13/23/51/1047132351.db2.gz WFNZPGSZGKJTCR-HXUWFJFHSA-N 1 0 344.543 4.075 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000806178200 1047202413 /nfs/dbraw/zinc/20/24/13/1047202413.db2.gz POADKYFWSHRAQE-CVEARBPZSA-N 1 0 337.508 4.084 20 30 EIEDRO C#CCCN[C@H](c1ccccc1Cl)c1ccc(OC)cc1OC ZINC000760295938 1047243453 /nfs/dbraw/zinc/24/34/53/1047243453.db2.gz NVPNPSMGAYOOMZ-LJQANCHMSA-N 1 0 329.827 4.060 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000788618804 1047250451 /nfs/dbraw/zinc/25/04/51/1047250451.db2.gz BLXRIAZINNHJQS-LBPRGKRZSA-N 1 0 335.781 4.481 20 30 EIEDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H](O)c1ccccc1 ZINC000788619679 1047252775 /nfs/dbraw/zinc/25/27/75/1047252775.db2.gz FHDBKCDBVRYZDV-PNHOKKKMSA-N 1 0 326.415 4.106 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000666866682 1047267567 /nfs/dbraw/zinc/26/75/67/1047267567.db2.gz YDYVMTHDNHMHJA-KRWDZBQOSA-N 1 0 329.488 4.144 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCc2ccc(C#N)c(F)c2)nc1 ZINC001170091130 1047326914 /nfs/dbraw/zinc/32/69/14/1047326914.db2.gz WTIPTHAPLNEUIM-OAHLLOKOSA-N 1 0 338.430 4.079 20 30 EIEDRO Cc1nc2ccc(CN3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2s1 ZINC000897595583 1047333615 /nfs/dbraw/zinc/33/36/15/1047333615.db2.gz COFAXXKHKWZFDH-LJQANCHMSA-N 1 0 349.459 4.050 20 30 EIEDRO CCOc1ccc(/C=N\C2CC[NH+](C3CCCCC3)CC2)c(O)c1 ZINC000746815383 1047425340 /nfs/dbraw/zinc/42/53/40/1047425340.db2.gz IOSSDKQFXSEOPY-QNGOZBTKSA-N 1 0 330.472 4.007 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000746814999 1047425868 /nfs/dbraw/zinc/42/58/68/1047425868.db2.gz DKYFYVPPUBSNHQ-QNGOZBTKSA-N 1 0 330.472 4.007 20 30 EIEDRO CCOc1ccc(/C=N/C[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(O)c1 ZINC000746816278 1047428224 /nfs/dbraw/zinc/42/82/24/1047428224.db2.gz QSNBFANALKRVHH-IUOVYFEOSA-N 1 0 346.858 4.166 20 30 EIEDRO C=CCCC1(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000476313864 1047465942 /nfs/dbraw/zinc/46/59/42/1047465942.db2.gz LFVNTMPOBUDAKO-GOSISDBHSA-N 1 0 332.532 4.236 20 30 EIEDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000609280553 1047495911 /nfs/dbraw/zinc/49/59/11/1047495911.db2.gz AFTTXJPVFJFCJI-FQEVSTJZSA-N 1 0 336.435 4.173 20 30 EIEDRO C[C@@H]1CC(N=Nc2nccnc2C2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000807991822 1047565463 /nfs/dbraw/zinc/56/54/63/1047565463.db2.gz STTXIVGLADYEDV-MRXNPFEDSA-N 1 0 349.482 4.054 20 30 EIEDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000556204140 1047565811 /nfs/dbraw/zinc/56/58/11/1047565811.db2.gz CHBYTTINDDZIFI-UYAOXDASSA-N 1 0 341.499 4.192 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000154812686 1047649776 /nfs/dbraw/zinc/64/97/76/1047649776.db2.gz AMCIJBLGAOKMEG-OAHLLOKOSA-N 1 0 345.874 4.130 20 30 EIEDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000082131259 1047796362 /nfs/dbraw/zinc/79/63/62/1047796362.db2.gz YZRBUCXXWNPZFR-LJQANCHMSA-N 1 0 340.423 4.129 20 30 EIEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000824242050 1047848041 /nfs/dbraw/zinc/84/80/41/1047848041.db2.gz HHLBQPRSWXFERP-QZTJIDSGSA-N 1 0 330.472 4.293 20 30 EIEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000824242052 1047848707 /nfs/dbraw/zinc/84/87/07/1047848707.db2.gz HHLBQPRSWXFERP-ZWKOTPCHSA-N 1 0 330.472 4.293 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)cc1 ZINC000824468145 1047877616 /nfs/dbraw/zinc/87/76/16/1047877616.db2.gz CMUJYFOEJBHLBG-ZUOKHONESA-N 1 0 342.389 4.423 20 30 EIEDRO Cc1c(NC(=O)C(C)(C)C)cc[nH+]c1N[C@@H]1CCc2c1cccc2C#N ZINC001171060160 1047887959 /nfs/dbraw/zinc/88/79/59/1047887959.db2.gz DBOUCUBRKNSLJK-GOSISDBHSA-N 1 0 348.450 4.346 20 30 EIEDRO N#CC1CC[NH+](Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC000824645626 1047894150 /nfs/dbraw/zinc/89/41/50/1047894150.db2.gz NFHXOLIEPAVUMT-UHFFFAOYSA-N 1 0 342.389 4.279 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1cccc(C#N)c1 ZINC000814249170 1047918089 /nfs/dbraw/zinc/91/80/89/1047918089.db2.gz IXUYUHZDGVXWQM-JKSUJKDBSA-N 1 0 349.434 4.317 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](COC)c2cccc(Cl)c2)cc1 ZINC000808455029 1047919953 /nfs/dbraw/zinc/91/99/53/1047919953.db2.gz TYZYDMAKMGMUJJ-FQEVSTJZSA-N 1 0 343.854 4.219 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCCOC3=O)cc2)ccc1C#N ZINC000814302665 1047970312 /nfs/dbraw/zinc/97/03/12/1047970312.db2.gz HSHVNPSIYCDODW-INIZCTEOSA-N 1 0 349.434 4.064 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000556839938 1048055019 /nfs/dbraw/zinc/05/50/19/1048055019.db2.gz RYAXGOXDEHOMKV-IBGZPJMESA-N 1 0 331.504 4.334 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](c1ccccc1OC)N(C)C)c1ccco1 ZINC000556864522 1048070357 /nfs/dbraw/zinc/07/03/57/1048070357.db2.gz QPBSHQFSWMJMJU-MSOLQXFVSA-N 1 0 328.456 4.188 20 30 EIEDRO Cc1cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)ccc1CC#N ZINC001170753108 1048077796 /nfs/dbraw/zinc/07/77/96/1048077796.db2.gz ZRHGXJMFQVFMJQ-QFIPXVFZSA-N 1 0 333.479 4.180 20 30 EIEDRO N#CCc1cc(F)cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1 ZINC001170753926 1048094997 /nfs/dbraw/zinc/09/49/97/1048094997.db2.gz FOOKVXRYKXWRFS-NRFANRHFSA-N 1 0 337.442 4.011 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccccc1 ZINC000814661355 1048106202 /nfs/dbraw/zinc/10/62/02/1048106202.db2.gz XTDQYDXOAFXIAH-RTBURBONSA-N 1 0 330.378 4.023 20 30 EIEDRO C#CCCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675838 1048114643 /nfs/dbraw/zinc/11/46/43/1048114643.db2.gz USTMFRMIZKDEBB-MRXNPFEDSA-N 1 0 325.374 4.271 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCCC[C@H]2C)ccc1Cl ZINC000217141843 1048146654 /nfs/dbraw/zinc/14/66/54/1048146654.db2.gz VABICGVZMGSGMD-KDOFPFPSSA-N 1 0 347.890 4.063 20 30 EIEDRO CC1(C)[C@@H]2C[C@@H]([NH+]3CCC(Oc4ccc(C#N)c(Cl)c4)CC3)C[C@@H]21 ZINC001170762393 1048155816 /nfs/dbraw/zinc/15/58/16/1048155816.db2.gz TVEUGBLUBLPZEV-GJWQZFMSSA-N 1 0 344.886 4.489 20 30 EIEDRO CC(=[NH+][N-]c1ccc(C#N)c(C(F)(F)F)c1)c1cc(N)ccc1F ZINC000814828757 1048187622 /nfs/dbraw/zinc/18/76/22/1048187622.db2.gz QKSYKAPRRYCHGG-UHFFFAOYSA-N 1 0 336.292 4.134 20 30 EIEDRO Cc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001143769462 1048189050 /nfs/dbraw/zinc/18/90/50/1048189050.db2.gz NHDHUWJYNVHZBE-IBGZPJMESA-N 1 0 342.389 4.188 20 30 EIEDRO CC[C@@H](OCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000844312082 1048271633 /nfs/dbraw/zinc/27/16/33/1048271633.db2.gz ISEWTEBMAWLCGP-LAUBAEHRSA-N 1 0 338.451 4.407 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000809609181 1048419781 /nfs/dbraw/zinc/41/97/81/1048419781.db2.gz GCKFXZWSLYBFIE-AWEZNQCLSA-N 1 0 333.353 4.460 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(SCCOC)cc2)cc1 ZINC000809616008 1048422582 /nfs/dbraw/zinc/42/25/82/1048422582.db2.gz PFTBDMNDTQZKRE-MRXNPFEDSA-N 1 0 325.477 4.257 20 30 EIEDRO C#Cc1ccc(C[NH2+]Cc2cccc(OC)c2OC2CCCC2)cc1 ZINC000809617542 1048422777 /nfs/dbraw/zinc/42/27/77/1048422777.db2.gz QSKIYRWDHKQKKR-UHFFFAOYSA-N 1 0 335.447 4.288 20 30 EIEDRO C=C(C)C[N@@H+](C[C@@H](O)c1ccc(OC)cc1)[C@H](C)Cc1ccccc1 ZINC001171143187 1048451322 /nfs/dbraw/zinc/45/13/22/1048451322.db2.gz JHBCGTZQSKQGCH-XMSQKQJNSA-N 1 0 339.479 4.238 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H]2CSc3ccc(Br)cc32)cc1 ZINC000809656132 1048455865 /nfs/dbraw/zinc/45/58/65/1048455865.db2.gz QVLXCEMJZQCKKF-INIZCTEOSA-N 1 0 344.277 4.367 20 30 EIEDRO C#C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1F ZINC000809698641 1048460091 /nfs/dbraw/zinc/46/00/91/1048460091.db2.gz FHHBMIUYKHYIJK-HXUWFJFHSA-N 1 0 342.845 4.412 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3cccc(C(F)(F)F)c3)CC2)nc1 ZINC001144160342 1048468836 /nfs/dbraw/zinc/46/88/36/1048468836.db2.gz GHEIWRXTFXYGII-UHFFFAOYSA-N 1 0 345.368 4.352 20 30 EIEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC3(CC3(F)F)CC2)c1O ZINC000844726040 1048478496 /nfs/dbraw/zinc/47/84/96/1048478496.db2.gz UOZWUOWGRBDHBV-UHFFFAOYSA-N 1 0 337.410 4.141 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cn1)C[C@@H](O)c1ccc2ccccc2c1 ZINC001144166801 1048478552 /nfs/dbraw/zinc/47/85/52/1048478552.db2.gz WSWSNRKQHGIAJZ-JOCHJYFZSA-N 1 0 345.446 4.050 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N=Cc2cc3ccccc3[nH]c2=O)C1 ZINC000920175625 1048575059 /nfs/dbraw/zinc/57/50/59/1048575059.db2.gz YZKLFLJJKFJMJT-SNDVWAGDSA-N 1 0 345.446 4.195 20 30 EIEDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc4[nH]cc(CC#N)c43)c2c1 ZINC001171166929 1048610519 /nfs/dbraw/zinc/61/05/19/1048610519.db2.gz FPMZSRKAEMNGPW-HNNXBMFYSA-N 1 0 342.446 4.376 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C1CCCCC1 ZINC001144356586 1048613249 /nfs/dbraw/zinc/61/32/49/1048613249.db2.gz DCMPXQSIQHBBOM-UHFFFAOYSA-N 1 0 328.378 4.343 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(C(F)(F)F)c1F ZINC001171178111 1048650586 /nfs/dbraw/zinc/65/05/86/1048650586.db2.gz CHKWJKXHAMFHSD-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000810151815 1048657222 /nfs/dbraw/zinc/65/72/22/1048657222.db2.gz PFOCXJJXUSPTOJ-ZWKOTPCHSA-N 1 0 341.480 4.228 20 30 EIEDRO CC(C)(O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000810152911 1048659924 /nfs/dbraw/zinc/65/99/24/1048659924.db2.gz GSHKCVJRPFWSET-UHFFFAOYSA-N 1 0 348.368 4.094 20 30 EIEDRO Cc1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc2cccnc12 ZINC001171182658 1048673662 /nfs/dbraw/zinc/67/36/62/1048673662.db2.gz QWQCYLBIHJBMET-UHFFFAOYSA-N 1 0 327.387 4.439 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(Br)cc1F)CC2 ZINC000810217932 1048686144 /nfs/dbraw/zinc/68/61/44/1048686144.db2.gz MYMHXDDHVBQAIQ-QGZVFWFLSA-N 1 0 345.215 4.237 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)ccc1Br ZINC001171193155 1048695070 /nfs/dbraw/zinc/69/50/70/1048695070.db2.gz UCIAYAHKLUYWDP-AWEZNQCLSA-N 1 0 343.268 4.350 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)CC2 ZINC000810227592 1048695873 /nfs/dbraw/zinc/69/58/73/1048695873.db2.gz YLQGWAJMHFYTMJ-IRXDYDNUSA-N 1 0 347.245 4.176 20 30 EIEDRO COc1ccc2cccc(CC[NH2+][C@H](C)Cc3cccc(C#N)c3)c2c1 ZINC001171192756 1048695918 /nfs/dbraw/zinc/69/59/18/1048695918.db2.gz PQKFJQSBSOWTMA-QGZVFWFLSA-N 1 0 344.458 4.483 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171192358 1048699880 /nfs/dbraw/zinc/69/98/80/1048699880.db2.gz MTCSODSBDLWJMA-YJBOKZPZSA-N 1 0 329.447 4.133 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)cc1 ZINC001144538564 1048720058 /nfs/dbraw/zinc/72/00/58/1048720058.db2.gz NRVVFUBZMDPNIJ-UHFFFAOYSA-N 1 0 345.368 4.352 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)ccc1C#N ZINC000810251426 1048729406 /nfs/dbraw/zinc/72/94/06/1048729406.db2.gz RZVGOHJBPQLVPM-AWEZNQCLSA-N 1 0 332.403 4.276 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1cncc(Cl)c1)C1CC1 ZINC001171197995 1048730399 /nfs/dbraw/zinc/73/03/99/1048730399.db2.gz GSZPWYOFXFGLTA-DJJJIMSYSA-N 1 0 325.843 4.279 20 30 EIEDRO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H](C)c1ccc(C#N)cc1 ZINC000748050414 1048735885 /nfs/dbraw/zinc/73/58/85/1048735885.db2.gz AKSGHSOLUPLDLW-CYBMUJFWSA-N 1 0 340.398 4.189 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001171201304 1048760028 /nfs/dbraw/zinc/76/00/28/1048760028.db2.gz KCYQSXYZDXMNIB-CYBMUJFWSA-N 1 0 343.352 4.170 20 30 EIEDRO C#CCCCCCC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000816456289 1048805527 /nfs/dbraw/zinc/80/55/27/1048805527.db2.gz FGHIMHLKYKDOPX-AZUAARDMSA-N 1 0 327.468 4.024 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC001171211413 1048808786 /nfs/dbraw/zinc/80/87/86/1048808786.db2.gz ZDDCOZIAPSAZPD-LJQANCHMSA-N 1 0 347.506 4.086 20 30 EIEDRO Oc1cccc(/C=N/C[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1O ZINC000920944435 1048819318 /nfs/dbraw/zinc/81/93/18/1048819318.db2.gz GBYOXUVXDJQIQB-RHLNUJDMSA-N 1 0 344.842 4.007 20 30 EIEDRO CCOc1ccc(/C=N\C[C@@H](c2ccc(CC)cc2)[NH+](C)C)c(O)c1 ZINC000920945296 1048819574 /nfs/dbraw/zinc/81/95/74/1048819574.db2.gz VEVJMXGWNHNRAN-ALFKQNEGSA-N 1 0 340.467 4.075 20 30 EIEDRO N#CC1(c2ccccc2F)CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC001144721471 1048831655 /nfs/dbraw/zinc/83/16/55/1048831655.db2.gz OEQQQLRDHVCETN-UHFFFAOYSA-N 1 0 333.410 4.364 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001171217739 1048835729 /nfs/dbraw/zinc/83/57/29/1048835729.db2.gz QCPBHMKUGSPYLN-KRWDZBQOSA-N 1 0 338.495 4.160 20 30 EIEDRO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc3scnc3c2)C1 ZINC001144743734 1048848499 /nfs/dbraw/zinc/84/84/99/1048848499.db2.gz XORVWXQIXNAYRO-KRWDZBQOSA-N 1 0 349.459 4.211 20 30 EIEDRO Cc1ccc(OC2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171221362 1048856637 /nfs/dbraw/zinc/85/66/37/1048856637.db2.gz LFXDQJMCPSYPQU-SFHVURJKSA-N 1 0 334.463 4.341 20 30 EIEDRO CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001171222083 1048858636 /nfs/dbraw/zinc/85/86/36/1048858636.db2.gz CQJYMCGRLJXPGG-AUSIDOKSSA-N 1 0 347.506 4.086 20 30 EIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C2(CO)CCCC2)c1F ZINC001170615340 1048864759 /nfs/dbraw/zinc/86/47/59/1048864759.db2.gz YKAFCHPMPDNUKG-UHFFFAOYSA-N 1 0 338.426 4.005 20 30 EIEDRO COCC[N@@H+](Cc1ccc(F)c(Cl)c1)CC1CCC(C#N)CC1 ZINC001171229126 1048868781 /nfs/dbraw/zinc/86/87/81/1048868781.db2.gz HXMXYEDJVYZJJP-UHFFFAOYSA-N 1 0 338.854 4.257 20 30 EIEDRO COc1cccc(CC2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171229384 1048869857 /nfs/dbraw/zinc/86/98/57/1048869857.db2.gz MYLRNDUMQRRIIN-SFHVURJKSA-N 1 0 348.490 4.453 20 30 EIEDRO COc1cccc([C@@H]2CCC[N@@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171233148 1048872036 /nfs/dbraw/zinc/87/20/36/1048872036.db2.gz ZHWVKXSCCHRXSS-LAUBAEHRSA-N 1 0 334.463 4.377 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)cc(OC)c1OC ZINC000772945609 1048882899 /nfs/dbraw/zinc/88/28/99/1048882899.db2.gz HUIANIPPAVLMBO-ZDUSSCGKSA-N 1 0 346.858 4.332 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)cc(OC)c1OC ZINC000772951335 1048889076 /nfs/dbraw/zinc/88/90/76/1048889076.db2.gz CRJYOWVCRWCYAL-VFNWGFHPSA-N 1 0 337.463 4.455 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)CCc2cccn2C)ccc1OC ZINC000237258914 1048905497 /nfs/dbraw/zinc/90/54/97/1048905497.db2.gz OFPHWLQXMBXKSJ-KRWDZBQOSA-N 1 0 342.483 4.100 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001170860488 1048931698 /nfs/dbraw/zinc/93/16/98/1048931698.db2.gz IVJNVHHEYCHQSA-WOJBJXKFSA-N 1 0 338.426 4.375 20 30 EIEDRO C=CCCC[N@@H+](C)[C@@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000076801926 1048944033 /nfs/dbraw/zinc/94/40/33/1048944033.db2.gz ZDEFBLJKEVFYCY-STQMWFEESA-N 1 0 345.512 4.068 20 30 EIEDRO C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1ccc(OCC#N)cc1 ZINC000772959444 1048992163 /nfs/dbraw/zinc/99/21/63/1048992163.db2.gz NEHKWSADCQDYCP-SJCJKPOMSA-N 1 0 328.799 4.027 20 30 EIEDRO C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[N@@H+]1C ZINC000811221793 1048995567 /nfs/dbraw/zinc/99/55/67/1048995567.db2.gz OZKPMCIJIBXNLC-HOTGVXAUSA-N 1 0 349.434 4.019 20 30 EIEDRO N#CC1(Nc2ccc3ccncc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171277363 1049023349 /nfs/dbraw/zinc/02/33/49/1049023349.db2.gz RAEPFZVPQIHINK-UHFFFAOYSA-N 1 0 342.446 4.205 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000175058976 1049074652 /nfs/dbraw/zinc/07/46/52/1049074652.db2.gz QBRWEZIQFBIBEN-MRXNPFEDSA-N 1 0 338.407 4.156 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000135141263 1049076504 /nfs/dbraw/zinc/07/65/04/1049076504.db2.gz DTBIPVWCXJIHSF-IBGZPJMESA-N 1 0 338.451 4.262 20 30 EIEDRO CC(C)C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000811473386 1049093097 /nfs/dbraw/zinc/09/30/97/1049093097.db2.gz XLQBGCLAOJUEMP-QAPCUYQASA-N 1 0 345.487 4.148 20 30 EIEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000135345671 1049126085 /nfs/dbraw/zinc/12/60/85/1049126085.db2.gz WRAYENQMRQUXJY-RDJZCZTQSA-N 1 0 345.512 4.141 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccco1 ZINC000818342049 1049135548 /nfs/dbraw/zinc/13/55/48/1049135548.db2.gz KTKZUJKJXMXBAO-PXNSSMCTSA-N 1 0 340.467 4.412 20 30 EIEDRO N#Cc1cccc(OCC[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000609541394 1049141977 /nfs/dbraw/zinc/14/19/77/1049141977.db2.gz MULATULDULMYOJ-KRWDZBQOSA-N 1 0 326.827 4.080 20 30 EIEDRO N#Cc1cccc(OCCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)c1 ZINC001170905232 1049172876 /nfs/dbraw/zinc/17/28/76/1049172876.db2.gz CYLACBIQTAPWNF-KRWDZBQOSA-N 1 0 340.854 4.128 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000772983855 1049214142 /nfs/dbraw/zinc/21/41/42/1049214142.db2.gz LLPUJGMMFVMBGG-UNMCSNQZSA-N 1 0 334.463 4.478 20 30 EIEDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819194919 1049275871 /nfs/dbraw/zinc/27/58/71/1049275871.db2.gz VAFYAUNQHSXMQU-KPZWWZAWSA-N 1 0 349.261 4.119 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000772988977 1049302149 /nfs/dbraw/zinc/30/21/49/1049302149.db2.gz VFRJKRQRUFWWKK-SFHVURJKSA-N 1 0 341.838 4.356 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCc3ccccc3C2)c1 ZINC000609770353 1049309181 /nfs/dbraw/zinc/30/91/81/1049309181.db2.gz NIWFAIBDGIBOED-LJQANCHMSA-N 1 0 334.463 4.264 20 30 EIEDRO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000609772196 1049311297 /nfs/dbraw/zinc/31/12/97/1049311297.db2.gz ZEGLMLZWDCJUCV-GOSISDBHSA-N 1 0 347.890 4.097 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000819378216 1049311483 /nfs/dbraw/zinc/31/14/83/1049311483.db2.gz XCDZAWCEUBHABL-OALUTQOASA-N 1 0 344.817 4.051 20 30 EIEDRO C=CCOc1ccc(C(=O)N2CCC[C@@H]([NH3+])c3cc(C)ccc32)cc1 ZINC001148467836 1049318734 /nfs/dbraw/zinc/31/87/34/1049318734.db2.gz BZQJAGCTIRFIKH-LJQANCHMSA-N 1 0 336.435 4.000 20 30 EIEDRO COC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000609826103 1049346083 /nfs/dbraw/zinc/34/60/83/1049346083.db2.gz RVNKSWBGZLRPDT-KRWDZBQOSA-N 1 0 334.341 4.054 20 30 EIEDRO C[C@@H]1SCC[N@H+](CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000609829485 1049348616 /nfs/dbraw/zinc/34/86/16/1049348616.db2.gz XPHRXLKLMOZRFP-JXFKEZNVSA-N 1 0 338.476 4.116 20 30 EIEDRO C=CC1(CC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCCCC1 ZINC001136254995 1049360029 /nfs/dbraw/zinc/36/00/29/1049360029.db2.gz HOGOSEKNRSRNKW-RTBURBONSA-N 1 0 334.548 4.387 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)Cc2ccsc2)cc1OCCCC#N ZINC000064614243 1049367614 /nfs/dbraw/zinc/36/76/14/1049367614.db2.gz BMQULXZBCZIGED-OAHLLOKOSA-N 1 0 344.480 4.160 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)CCC#N)ccc1OC(F)F ZINC000348216535 1049483668 /nfs/dbraw/zinc/48/36/68/1049483668.db2.gz ONHDMCUDTJABND-GFCCVEGCSA-N 1 0 326.387 4.277 20 30 EIEDRO COc1ccc([C@H](Cc2ccncc2)[NH2+]CC(C)(C)CCC#N)cc1 ZINC000348217595 1049487616 /nfs/dbraw/zinc/48/76/16/1049487616.db2.gz BESQEWLVCNOSEV-FQEVSTJZSA-N 1 0 337.467 4.294 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000773008355 1049520386 /nfs/dbraw/zinc/52/03/86/1049520386.db2.gz KOVZDUZAUGFPLH-AUUYWEPGSA-N 1 0 349.833 4.341 20 30 EIEDRO C[C@H](C[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000773086151 1049574306 /nfs/dbraw/zinc/57/43/06/1049574306.db2.gz ZJHZQYLVWSMXEJ-JZXOWHBKSA-N 1 0 345.487 4.313 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)C=Cc2c[nH]nc2-c2ccccc2F)c1 ZINC000821021387 1049587215 /nfs/dbraw/zinc/58/72/15/1049587215.db2.gz FOCXFRGOPLWITA-KHPPLWFESA-N 1 0 349.409 4.174 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccccc2OC(F)F)c1 ZINC000821023205 1049590391 /nfs/dbraw/zinc/59/03/91/1049590391.db2.gz ZEOGNDUSVDIBIH-KHPPLWFESA-N 1 0 331.362 4.246 20 30 EIEDRO C#C[C@@H]([NH2+]C1CCN(c2ccc(F)cc2F)CC1)c1ccc(F)cc1 ZINC000812793833 1049591911 /nfs/dbraw/zinc/59/19/11/1049591911.db2.gz HBJYSSICYUPJBQ-LJQANCHMSA-N 1 0 344.380 4.037 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCC2)cc1 ZINC000237592274 1049637194 /nfs/dbraw/zinc/63/71/94/1049637194.db2.gz OFGOEZDJAHASLA-MRXNPFEDSA-N 1 0 338.426 4.328 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCC[C@@H]2C(=O)OCC)cc1 ZINC001170965655 1049643360 /nfs/dbraw/zinc/64/33/60/1049643360.db2.gz LDGMHFJQZMNTBR-SLFFLAALSA-N 1 0 342.483 4.153 20 30 EIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000037000073 1049653669 /nfs/dbraw/zinc/65/36/69/1049653669.db2.gz AYELFSHRFSMATK-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)c2ccccc2F)cc1 ZINC000237694315 1049712107 /nfs/dbraw/zinc/71/21/07/1049712107.db2.gz NJMBCGKOXRAZEW-HNNXBMFYSA-N 1 0 326.415 4.184 20 30 EIEDRO C=C(Br)C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000179691721 1049722894 /nfs/dbraw/zinc/72/28/94/1049722894.db2.gz WEHROHCMBFJBCI-AWEZNQCLSA-N 1 0 347.256 4.220 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1cc(OC)ccc1OC)c1ccccc1 ZINC000772858817 1049758572 /nfs/dbraw/zinc/75/85/72/1049758572.db2.gz YRKVROVMYVAICY-PMACEKPBSA-N 1 0 341.451 4.034 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCCC#N)C[C@@H]1C(C)(C)C ZINC001171581866 1049762757 /nfs/dbraw/zinc/76/27/57/1049762757.db2.gz JXBQXTMGNVYDQD-HZPDHXFCSA-N 1 0 337.508 4.084 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171612505 1049764733 /nfs/dbraw/zinc/76/47/33/1049764733.db2.gz KAIUZKZHEDVATP-IAGOWNOFSA-N 1 0 336.520 4.475 20 30 EIEDRO CCCC1(C[NH2+]CC2(CC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822475774 1049766054 /nfs/dbraw/zinc/76/60/54/1049766054.db2.gz BDHNFDWIQOSBBO-UHFFFAOYSA-N 1 0 349.519 4.087 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@H]1C(C)(C)C ZINC001171616522 1049767309 /nfs/dbraw/zinc/76/73/09/1049767309.db2.gz CHUNYMHVRIOQEH-TWOQFEAHSA-N 1 0 349.519 4.036 20 30 EIEDRO CCCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000822497381 1049768530 /nfs/dbraw/zinc/76/85/30/1049768530.db2.gz BGHULLKUPALNCT-DLBZAZTESA-N 1 0 349.519 4.086 20 30 EIEDRO C[NH+]1CCC(CC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000813408617 1049769830 /nfs/dbraw/zinc/76/98/30/1049769830.db2.gz AHYDZEDNIXBLBL-NRFANRHFSA-N 1 0 347.462 4.012 20 30 EIEDRO N#C[C@@H]1CC[N@@H+](C2CCC(c3ccc(Br)cc3)CC2)C1 ZINC001171654604 1049770908 /nfs/dbraw/zinc/77/09/08/1049770908.db2.gz YJOMAHASLAGKHI-KTAKPFMOSA-N 1 0 333.273 4.321 20 30 EIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)CCc1ccc(C)cc1)C2 ZINC001171672686 1049776196 /nfs/dbraw/zinc/77/61/96/1049776196.db2.gz CXFGSUWOXVVPTA-BAGYTPMASA-N 1 0 343.511 4.142 20 30 EIEDRO N#CCCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000237818106 1049776502 /nfs/dbraw/zinc/77/65/02/1049776502.db2.gz XURQBMVUIISFEZ-UHFFFAOYSA-N 1 0 336.464 4.384 20 30 EIEDRO C[C@H]1C[C@H]([NH2+]C(C)(C)c2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171725968 1049785746 /nfs/dbraw/zinc/78/57/46/1049785746.db2.gz QQMDUZHMFVRAOD-UWJYYQICSA-N 1 0 333.479 4.046 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 ZINC001136637387 1049803918 /nfs/dbraw/zinc/80/39/18/1049803918.db2.gz MPBZXTLIUSVXQR-UHFFFAOYSA-N 1 0 332.806 4.202 20 30 EIEDRO CC[C@@H](CC#N)[NH2+][C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171816241 1049810493 /nfs/dbraw/zinc/81/04/93/1049810493.db2.gz HAXLSVRZEYXLMZ-NXOAAHMSSA-N 1 0 337.508 4.225 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(C)c(C)c1Cl)C(C)C ZINC001136650371 1049811226 /nfs/dbraw/zinc/81/12/26/1049811226.db2.gz YGTBEDGFQJARPC-GOSISDBHSA-N 1 0 348.918 4.385 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC001171847074 1049812598 /nfs/dbraw/zinc/81/25/98/1049812598.db2.gz IJBMDYPSFMHHHV-ZDUSSCGKSA-N 1 0 348.288 4.124 20 30 EIEDRO N#Cc1cccc(C2CC[NH+]([C@H]3CCc4cccc(F)c4C3)CC2)c1 ZINC001171001391 1049813300 /nfs/dbraw/zinc/81/33/00/1049813300.db2.gz ORQUNVNOJBQVBT-FQEVSTJZSA-N 1 0 334.438 4.434 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001171959555 1049823239 /nfs/dbraw/zinc/82/32/39/1049823239.db2.gz BJQUDBZQMXYHCO-SNVBAGLBSA-N 1 0 341.764 4.090 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOc1ccccc1C#N ZINC001171961187 1049824315 /nfs/dbraw/zinc/82/43/15/1049824315.db2.gz ROIHKGPSHHLPRD-AWEZNQCLSA-N 1 0 348.368 4.177 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000813877865 1049830620 /nfs/dbraw/zinc/83/06/20/1049830620.db2.gz GDOJGJALGSABHK-ULQDDVLXSA-N 1 0 336.520 4.499 20 30 EIEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172048268 1049843019 /nfs/dbraw/zinc/84/30/19/1049843019.db2.gz GNQRBQWTGSEALJ-XLIONFOSSA-N 1 0 348.531 4.480 20 30 EIEDRO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000823497651 1049852857 /nfs/dbraw/zinc/85/28/57/1049852857.db2.gz JFDSQWQTVYJPRU-UHFFFAOYSA-N 1 0 344.842 4.276 20 30 EIEDRO C=CCCC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC001136755520 1049865020 /nfs/dbraw/zinc/86/50/20/1049865020.db2.gz YWYQLEPDJKGWML-WOJBJXKFSA-N 1 0 328.500 4.117 20 30 EIEDRO [NH2+]=C(N[C@H]1CCc2c(Cl)cccc2C1)c1ccc2ccccc2n1 ZINC001171023243 1049867440 /nfs/dbraw/zinc/86/74/40/1049867440.db2.gz VMOHWLKXIYTUHD-HNNXBMFYSA-N 1 0 335.838 4.151 20 30 EIEDRO [NH2+]=C(N[C@@H]1CCc2c(Cl)cccc2C1)c1ccc2ccccc2n1 ZINC001171023244 1049867563 /nfs/dbraw/zinc/86/75/63/1049867563.db2.gz VMOHWLKXIYTUHD-OAHLLOKOSA-N 1 0 335.838 4.151 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172195164 1049868266 /nfs/dbraw/zinc/86/82/66/1049868266.db2.gz ZLOMSRAVOZLGRM-LJQANCHMSA-N 1 0 334.488 4.261 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000823702220 1049870049 /nfs/dbraw/zinc/87/00/49/1049870049.db2.gz MWVJTZXHRFVLDD-INIZCTEOSA-N 1 0 334.479 4.011 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC001172301839 1049873023 /nfs/dbraw/zinc/87/30/23/1049873023.db2.gz YBDPCSUBBWTTIJ-PXAZEXFGSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC001172302239 1049873131 /nfs/dbraw/zinc/87/31/31/1049873131.db2.gz HDLHVRWZTVLKID-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC001172301516 1049873221 /nfs/dbraw/zinc/87/32/21/1049873221.db2.gz PSYPGGRWECMMSJ-HTAPYJJXSA-N 1 0 334.463 4.247 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(Br)ccc1F ZINC001172301836 1049873228 /nfs/dbraw/zinc/87/32/28/1049873228.db2.gz XZFSGXUESFOROR-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1cccnc1Cl)C1CC1 ZINC001172303913 1049873657 /nfs/dbraw/zinc/87/36/57/1049873657.db2.gz FVLUFMMBSKTBHG-UGSOOPFHSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)ccc1C(F)(F)F ZINC001172303509 1049874040 /nfs/dbraw/zinc/87/40/40/1049874040.db2.gz YXZXKEBRLCPXJZ-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(COc2ccccc2)CC1 ZINC001172308417 1049874490 /nfs/dbraw/zinc/87/44/90/1049874490.db2.gz XVBBFOOYVJUMDY-SFHVURJKSA-N 1 0 334.463 4.280 20 30 EIEDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172308510 1049874503 /nfs/dbraw/zinc/87/45/03/1049874503.db2.gz KWLONSJADIWGJR-ZWKOTPCHSA-N 1 0 336.479 4.451 20 30 EIEDRO COc1cccc([C@H]2CCC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172313567 1049875898 /nfs/dbraw/zinc/87/58/98/1049875898.db2.gz ZRWPWLPFLLBUJY-UWJYYQICSA-N 1 0 334.463 4.377 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(n2ncc3ccccc32)CC1 ZINC001172318939 1049876402 /nfs/dbraw/zinc/87/64/02/1049876402.db2.gz JODROTJPSKTKSF-QGZVFWFLSA-N 1 0 344.462 4.176 20 30 EIEDRO C[C@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(F)cc3OCC#N)CC2)C1 ZINC000180321948 1049880156 /nfs/dbraw/zinc/88/01/56/1049880156.db2.gz FJYGEAARYNUBME-YJBOKZPZSA-N 1 0 345.462 4.183 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(Br)cc1 ZINC001172290719 1049880818 /nfs/dbraw/zinc/88/08/18/1049880818.db2.gz RUTSSYNYZFRGRC-AWEZNQCLSA-N 1 0 343.268 4.084 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC001172295348 1049881658 /nfs/dbraw/zinc/88/16/58/1049881658.db2.gz QRZVKENNDAMGDZ-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO COc1ccc2c(c1)c(C[C@@H](C)[NH3+])cn2[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172295469 1049881973 /nfs/dbraw/zinc/88/19/73/1049881973.db2.gz RYMYASKWGJNHFJ-CVEARBPZSA-N 1 0 347.462 4.215 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccsc1Br ZINC001172299141 1049882576 /nfs/dbraw/zinc/88/25/76/1049882576.db2.gz FVVOAEXYGZWZDW-LLVKDONJSA-N 1 0 335.270 4.103 20 30 EIEDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@H](C)Cc1ccc(C#N)cc1 ZINC001172299213 1049882680 /nfs/dbraw/zinc/88/26/80/1049882680.db2.gz GDSHWXHHQVAHHX-OAHLLOKOSA-N 1 0 347.462 4.135 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172298261 1049883034 /nfs/dbraw/zinc/88/30/34/1049883034.db2.gz VBJALYZIWZRRCF-AWEZNQCLSA-N 1 0 343.268 4.350 20 30 EIEDRO COCCC1([NH2+][C@H](C)Cc2ccc(C#N)cc2)CCC(F)(F)CC1 ZINC001172299872 1049883091 /nfs/dbraw/zinc/88/30/91/1049883091.db2.gz OXVHSFMJANJGMN-OAHLLOKOSA-N 1 0 336.426 4.063 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]C3(c4ccccc4)CCC3)CC2)cc1 ZINC000180350753 1049883315 /nfs/dbraw/zinc/88/33/15/1049883315.db2.gz ICAAHACLDPZFQN-UHFFFAOYSA-N 1 0 345.490 4.192 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001172359286 1049895531 /nfs/dbraw/zinc/89/55/31/1049895531.db2.gz UUXQFYRQQQXAEH-MSOLQXFVSA-N 1 0 335.536 4.495 20 30 EIEDRO CC[C@@H](C)OCC[C@H](C)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001172362753 1049896208 /nfs/dbraw/zinc/89/62/08/1049896208.db2.gz XFNLBJZANDLYAD-DLBZAZTESA-N 1 0 332.463 4.277 20 30 EIEDRO CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000824103263 1049896692 /nfs/dbraw/zinc/89/66/92/1049896692.db2.gz GNTLZEWNZSOTNB-KOHRHEQBSA-N 1 0 337.508 4.132 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]Cc1c(F)c(F)cc(Br)c1F ZINC001172475797 1049908787 /nfs/dbraw/zinc/90/87/87/1049908787.db2.gz BVJLEHABBGNLTO-QMMMGPOBSA-N 1 0 335.167 4.038 20 30 EIEDRO CC(C)COCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001172470751 1049909099 /nfs/dbraw/zinc/90/90/99/1049909099.db2.gz GSDJKTPTMDZXNZ-ZDUSSCGKSA-N 1 0 328.378 4.118 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@H]1COc2c1ccc(Br)c2Cl ZINC001172482111 1049910650 /nfs/dbraw/zinc/91/06/50/1049910650.db2.gz BTNXQGHBJJFQMH-CABZTGNLSA-N 1 0 343.652 4.208 20 30 EIEDRO C[C@H](CCCC#N)n1cc(CC[NH3+])c2cc(Br)ccc21 ZINC001172483359 1049911682 /nfs/dbraw/zinc/91/16/82/1049911682.db2.gz PTUVGTDMWWXNKM-GFCCVEGCSA-N 1 0 334.261 4.160 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC001172491771 1049920878 /nfs/dbraw/zinc/92/08/78/1049920878.db2.gz HFVUCTWNJHIORM-CQSZACIVSA-N 1 0 340.389 4.071 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CCn3c(-c4ccccc4)cnc32)CC1 ZINC001172495398 1049921471 /nfs/dbraw/zinc/92/14/71/1049921471.db2.gz QFWFXJRQHVPVMV-SFHVURJKSA-N 1 0 348.494 4.370 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001172496714 1049921835 /nfs/dbraw/zinc/92/18/35/1049921835.db2.gz PFPNKPHNDHBWJT-QGZVFWFLSA-N 1 0 349.519 4.182 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CCCCN2C(=O)OC(C)(C)C)CC1 ZINC001172496539 1049921928 /nfs/dbraw/zinc/92/19/28/1049921928.db2.gz NTLMWSZCKVJOGI-KRWDZBQOSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC001172492476 1049922137 /nfs/dbraw/zinc/92/21/37/1049922137.db2.gz LPHFVXYHERQDTO-CYBMUJFWSA-N 1 0 326.271 4.198 20 30 EIEDRO Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@H+]1[C@@H](C)CCCC#N ZINC001172491880 1049922194 /nfs/dbraw/zinc/92/21/94/1049922194.db2.gz HKHPQUSMZMXEDB-ROUUACIJSA-N 1 0 327.472 4.179 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+]CC1(C(=O)OC)CCOCC1 ZINC001172504628 1049924476 /nfs/dbraw/zinc/92/44/76/1049924476.db2.gz HGIYRJJUZGDOCB-KRWDZBQOSA-N 1 0 327.509 4.075 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001172504407 1049924538 /nfs/dbraw/zinc/92/45/38/1049924538.db2.gz YMVNQPLRBOLYLE-VQTJNVASSA-N 1 0 345.531 4.415 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCC(c2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001172506311 1049924684 /nfs/dbraw/zinc/92/46/84/1049924684.db2.gz RAPXSDKVGLGWGI-KRWDZBQOSA-N 1 0 336.483 4.349 20 30 EIEDRO C[C@@H](CCCC#N)[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC001172509367 1049925585 /nfs/dbraw/zinc/92/55/85/1049925585.db2.gz KKUIIOGPTREFKT-IRXDYDNUSA-N 1 0 349.519 4.180 20 30 EIEDRO CC(C)[N@H+]([C@@H](C)CCCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172508992 1049925740 /nfs/dbraw/zinc/92/57/40/1049925740.db2.gz IWKLYOBLTBLUDP-DLBZAZTESA-N 1 0 337.508 4.179 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+]Cc1cc(OCCOC)ncn1 ZINC001172507928 1049925947 /nfs/dbraw/zinc/92/59/47/1049925947.db2.gz DLRSTXFJKHNFIZ-KRWDZBQOSA-N 1 0 337.508 4.121 20 30 EIEDRO CCCCCCC[C@H](CCC)[N@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001172511456 1049926728 /nfs/dbraw/zinc/92/67/28/1049926728.db2.gz REIKKJGKBAPAJW-MOPGFXCFSA-N 1 0 335.536 4.491 20 30 EIEDRO CCCC[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)CCN1C(=O)OC(C)(C)C ZINC001172645880 1049955186 /nfs/dbraw/zinc/95/51/86/1049955186.db2.gz PBHHUNIKNZMYGK-SQGPQFPESA-N 1 0 349.519 4.180 20 30 EIEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172714401 1049973631 /nfs/dbraw/zinc/97/36/31/1049973631.db2.gz YBZGHBRHHVYZER-SFHVURJKSA-N 1 0 335.838 4.007 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248744969 1050076530 /nfs/dbraw/zinc/07/65/30/1050076530.db2.gz FKOQPUFVBKJVSF-JFIYKMOQSA-N 1 0 331.891 4.147 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000249370578 1050097343 /nfs/dbraw/zinc/09/73/43/1050097343.db2.gz WRHRVIHSEDAZJH-XHSDSOJGSA-N 1 0 345.512 4.188 20 30 EIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181414900 1050120640 /nfs/dbraw/zinc/12/06/40/1050120640.db2.gz HRHSIFSXAWVRCM-OAHLLOKOSA-N 1 0 330.435 4.212 20 30 EIEDRO COC(=O)[C@@H]1CCC[C@@H]([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001172791749 1050158390 /nfs/dbraw/zinc/15/83/90/1050158390.db2.gz NBYHFDGRCOUXSE-IEBWSBKVSA-N 1 0 334.504 4.437 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172795955 1050159863 /nfs/dbraw/zinc/15/98/63/1050159863.db2.gz DFFBUWANIRCXKM-GVDBMIGSSA-N 1 0 331.456 4.024 20 30 EIEDRO Cc1ccc2c(c1)C[C@@H]([NH+]1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001172828478 1050166540 /nfs/dbraw/zinc/16/65/40/1050166540.db2.gz UDIGVFKUJSGPRI-QFIPXVFZSA-N 1 0 330.475 4.410 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(Cn3ccnc3)c2)cc1 ZINC001177217198 1050167210 /nfs/dbraw/zinc/16/72/10/1050167210.db2.gz CLVFHBNEXGDZPC-UHFFFAOYSA-N 1 0 344.462 4.022 20 30 EIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ccc(F)c2cccnc12)C(C)C ZINC001177222692 1050168167 /nfs/dbraw/zinc/16/81/67/1050168167.db2.gz MIKYRTNCWGXLAU-FQEVSTJZSA-N 1 0 341.474 4.162 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181535988 1050190390 /nfs/dbraw/zinc/19/03/90/1050190390.db2.gz CQLQJHQYRJIOQI-GOSISDBHSA-N 1 0 333.479 4.182 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC001177334737 1050194822 /nfs/dbraw/zinc/19/48/22/1050194822.db2.gz YQYVXPKHCCTDEG-UHFFFAOYSA-N 1 0 349.478 4.235 20 30 EIEDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665229 1050198357 /nfs/dbraw/zinc/19/83/57/1050198357.db2.gz QQFVXLYPVHMCKR-XLIONFOSSA-N 1 0 335.451 4.347 20 30 EIEDRO Cc1ccccc1C1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CCOCC1 ZINC000181569733 1050205189 /nfs/dbraw/zinc/20/51/89/1050205189.db2.gz ZERSPVSJZQNDPX-SFHVURJKSA-N 1 0 334.463 4.266 20 30 EIEDRO C#CCOc1ccc(CNc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC001177434277 1050220549 /nfs/dbraw/zinc/22/05/49/1050220549.db2.gz SDTDZQXZPGYTQM-UHFFFAOYSA-N 1 0 348.490 4.339 20 30 EIEDRO CCCCCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172975996 1050251795 /nfs/dbraw/zinc/25/17/95/1050251795.db2.gz KPRYCPBUUMFJEJ-ZACQAIPSSA-N 1 0 337.508 4.227 20 30 EIEDRO C=CC[NH+]1CCC(NCc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC001177678881 1050276233 /nfs/dbraw/zinc/27/62/33/1050276233.db2.gz GYMGRTDFORIOLA-UHFFFAOYSA-N 1 0 333.690 4.387 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC001173073490 1050290303 /nfs/dbraw/zinc/29/03/03/1050290303.db2.gz OYSKXUFBGKHIAQ-ZDUSSCGKSA-N 1 0 334.341 4.178 20 30 EIEDRO CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181676908 1050290541 /nfs/dbraw/zinc/29/05/41/1050290541.db2.gz KMNVZHHCAVPXND-QFIPXVFZSA-N 1 0 347.506 4.134 20 30 EIEDRO CCCOC1CCC([N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001173100641 1050302124 /nfs/dbraw/zinc/30/21/24/1050302124.db2.gz QPWQDAORTDGQDB-GRERDSQWSA-N 1 0 342.483 4.139 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2C[C@@H](OCCCC)C2(C)C)cc(OC)c1O ZINC001177962595 1050332108 /nfs/dbraw/zinc/33/21/08/1050332108.db2.gz RPHRHHIWNPLHHX-RTBURBONSA-N 1 0 347.499 4.203 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(C)cc2OCCC)cc1 ZINC001177981845 1050362126 /nfs/dbraw/zinc/36/21/26/1050362126.db2.gz SRTHWHHIFBTQPX-UHFFFAOYSA-N 1 0 337.463 4.476 20 30 EIEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[C@H](CC)C3)C2)CC1 ZINC001173275875 1050392207 /nfs/dbraw/zinc/39/22/07/1050392207.db2.gz WIAJEAUALQMPOO-ZWKOTPCHSA-N 1 0 334.504 4.066 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000181980904 1050401425 /nfs/dbraw/zinc/40/14/25/1050401425.db2.gz MBSRTRDDRABTAO-OAHLLOKOSA-N 1 0 336.435 4.364 20 30 EIEDRO CCCCCCCC[C@@H](CCC)[NH+]1CCC(NC(=O)COC)CC1 ZINC001173309672 1050402776 /nfs/dbraw/zinc/40/27/76/1050402776.db2.gz JEMTYUHQXTXGIC-LJQANCHMSA-N 1 0 340.552 4.133 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC001173313625 1050406983 /nfs/dbraw/zinc/40/69/83/1050406983.db2.gz CGKWGYZGVMOERL-NGICGMGXSA-N 1 0 347.474 4.397 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(C(=O)c3ccccc3F)CC2)CC1 ZINC001173325389 1050417037 /nfs/dbraw/zinc/41/70/37/1050417037.db2.gz KXNXZKCLBJHXJF-UHFFFAOYSA-N 1 0 345.458 4.234 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(COc3ccc(F)cc3)CC2)CC1 ZINC001173326727 1050417087 /nfs/dbraw/zinc/41/70/87/1050417087.db2.gz ONUSYPFVSGYEMS-UHFFFAOYSA-N 1 0 347.474 4.430 20 30 EIEDRO CC(C)(C)OC(=O)NCCCCCC[NH2+]C1CCC(CC#N)CC1 ZINC001173324854 1050418025 /nfs/dbraw/zinc/41/80/25/1050418025.db2.gz ADMMYDXYBHJQSD-UHFFFAOYSA-N 1 0 337.508 4.134 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001173325906 1050418388 /nfs/dbraw/zinc/41/83/88/1050418388.db2.gz SFQPTBNOMBBKSH-UHFFFAOYSA-N 1 0 342.458 4.197 20 30 EIEDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccc(OC)cc12)c1ccc(C#N)cc1 ZINC000618568010 1050419245 /nfs/dbraw/zinc/41/92/45/1050419245.db2.gz IGFPIIXZYPSMIR-HXUWFJFHSA-N 1 0 333.435 4.332 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC001173328292 1050419445 /nfs/dbraw/zinc/41/94/45/1050419445.db2.gz WFOXJEXDYYJDEJ-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC001173330553 1050420101 /nfs/dbraw/zinc/42/01/01/1050420101.db2.gz SKLGULLBEDAKKD-MKJPBZQASA-N 1 0 330.447 4.355 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ccc(Br)c(Cl)n2)CC1 ZINC001173329259 1050420202 /nfs/dbraw/zinc/42/02/02/1050420202.db2.gz BPHGPFOGDBNLPM-UHFFFAOYSA-N 1 0 342.668 4.060 20 30 EIEDRO C[C@H]1C[C@@H]([NH2+]C2CCC(CC#N)CC2)CCN1Cc1ccccc1 ZINC001173327709 1050420322 /nfs/dbraw/zinc/42/03/22/1050420322.db2.gz HHNXGFPYLDMSLW-CZOVOBHWSA-N 1 0 325.500 4.102 20 30 EIEDRO N#CCC1CCC([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001173328550 1050420536 /nfs/dbraw/zinc/42/05/36/1050420536.db2.gz FJIMDKPLDNJHIM-SYGMWZTRSA-N 1 0 347.300 4.368 20 30 EIEDRO C=CCOC1CCC([N@H+](C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001173327741 1050420630 /nfs/dbraw/zinc/42/06/30/1050420630.db2.gz QYEAPJPTKZVZLD-UHFFFAOYSA-N 1 0 328.500 4.232 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173329634 1050420810 /nfs/dbraw/zinc/42/08/10/1050420810.db2.gz KCUOQSXJPKFLQR-ADKAHSJRSA-N 1 0 349.519 4.086 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173329889 1050420841 /nfs/dbraw/zinc/42/08/41/1050420841.db2.gz OWLNYCIBTUIXQU-LXPRWKDFSA-N 1 0 349.519 4.086 20 30 EIEDRO C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C1CCC(CC#N)CC1 ZINC001173331016 1050421953 /nfs/dbraw/zinc/42/19/53/1050421953.db2.gz JTBIKSFVCOGOKM-NALMEZQBSA-N 1 0 349.519 4.084 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cn(Cc3ccccc3Cl)cn2)CC1 ZINC001173333567 1050422052 /nfs/dbraw/zinc/42/20/52/1050422052.db2.gz NWATVLSWEQRZRQ-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO C[N@H+](C1CCC(CC#N)CC1)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001173337003 1050424157 /nfs/dbraw/zinc/42/41/57/1050424157.db2.gz VJRLRZHYBORBHO-HIEASXQVSA-N 1 0 349.519 4.227 20 30 EIEDRO CCC1([NH2+]C2CCC(CC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001173334606 1050425035 /nfs/dbraw/zinc/42/50/35/1050425035.db2.gz YFFLYTZPGDBWMJ-UHFFFAOYSA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@H](Cc1ccccc1Br)[NH2+]C1CCC(CC#N)CC1 ZINC001173334817 1050425167 /nfs/dbraw/zinc/42/51/67/1050425167.db2.gz YLSKDJDSCRSAGO-VQCLRJIVSA-N 1 0 335.289 4.442 20 30 EIEDRO N#CCC1CCC([NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)CC1 ZINC001173334111 1050425489 /nfs/dbraw/zinc/42/54/89/1050425489.db2.gz USZVRIMHILQNMA-CKHPTIKVSA-N 1 0 338.495 4.498 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCC(CC#N)CC2)C(C)(C)C1 ZINC001173334667 1050425519 /nfs/dbraw/zinc/42/55/19/1050425519.db2.gz ZMIGYSPEVWKAIQ-OFLPRAFFSA-N 1 0 349.519 4.084 20 30 EIEDRO COc1ccc(C(=O)C2CC[NH+](C3CCC(CC#N)CC3)CC2)cc1 ZINC001173339441 1050428582 /nfs/dbraw/zinc/42/85/82/1050428582.db2.gz PCHOILCQUOYKMP-UHFFFAOYSA-N 1 0 340.467 4.062 20 30 EIEDRO CC(C)[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173341004 1050430021 /nfs/dbraw/zinc/43/00/21/1050430021.db2.gz PNWJEJSEWLVIOH-DAWZGUTISA-N 1 0 349.519 4.179 20 30 EIEDRO C=CCOCc1nn([C@H]2CCCC3(CCCCC3)C2)c2c1C[NH2+]C2 ZINC001173344450 1050434835 /nfs/dbraw/zinc/43/48/35/1050434835.db2.gz NMACNERUMQRCKX-INIZCTEOSA-N 1 0 329.488 4.255 20 30 EIEDRO C=CCOC1CCC([NH2+]CCCCC(=O)OCc2ccccc2)CC1 ZINC001173314295 1050438922 /nfs/dbraw/zinc/43/89/22/1050438922.db2.gz NGVYPQAUJUUSCQ-UHFFFAOYSA-N 1 0 345.483 4.004 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC001173319822 1050441085 /nfs/dbraw/zinc/44/10/85/1050441085.db2.gz XENBZQPSXUQCKH-ZXDFIECXSA-N 1 0 342.527 4.000 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](Oc3cccc(OC)c3)C2)CC1 ZINC001173320456 1050441353 /nfs/dbraw/zinc/44/13/53/1050441353.db2.gz OEQYPRCXAXDBOE-NGICGMGXSA-N 1 0 345.483 4.052 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccccc1OC ZINC000775063116 1050442664 /nfs/dbraw/zinc/44/26/64/1050442664.db2.gz GIBPXNQBVZDJSU-INIZCTEOSA-N 1 0 346.377 4.409 20 30 EIEDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)n(-c2ccccc2)n1 ZINC000182046408 1050445705 /nfs/dbraw/zinc/44/57/05/1050445705.db2.gz HQUZZGUUUVYJQK-SJLPKXTDSA-N 1 0 344.462 4.334 20 30 EIEDRO C=CCCCC[N@@H+](C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173419376 1050450220 /nfs/dbraw/zinc/45/02/20/1050450220.db2.gz CABGHGYACILDTI-UHFFFAOYSA-N 1 0 334.891 4.233 20 30 EIEDRO C#CCOc1cccc(Cl)c1CNc1cc(C)cc(C[NH+](C)C)c1 ZINC001178387016 1050451397 /nfs/dbraw/zinc/45/13/97/1050451397.db2.gz QWWSQTVGFMLHLA-UHFFFAOYSA-N 1 0 342.870 4.334 20 30 EIEDRO C[C@H](CCc1ccc(Cl)c(Cl)c1)NC(=[NH2+])c1ccc(F)cn1 ZINC001173539584 1050476104 /nfs/dbraw/zinc/47/61/04/1050476104.db2.gz QGGOMLOMPCIVBU-SNVBAGLBSA-N 1 0 340.229 4.254 20 30 EIEDRO C=CCN1CC[NH+]([C@H](C)CCc2ccc(Cl)c(Cl)c2)CC1 ZINC001173554590 1050482059 /nfs/dbraw/zinc/48/20/59/1050482059.db2.gz OZOFASMRZSMPFN-CQSZACIVSA-N 1 0 327.299 4.118 20 30 EIEDRO COc1cccc(C(F)(F)F)c1C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586578 1050492425 /nfs/dbraw/zinc/49/24/25/1050492425.db2.gz VXKWCMHJOPTNET-UHFFFAOYSA-N 1 0 326.362 4.276 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC001173589568 1050493314 /nfs/dbraw/zinc/49/33/14/1050493314.db2.gz GMTKMAJHJCRLQA-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO COC(=O)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc(Cl)cc1 ZINC001173588947 1050494610 /nfs/dbraw/zinc/49/46/10/1050494610.db2.gz OPOCQYBWIBZEHQ-PQUAAJSLSA-N 1 0 334.847 4.006 20 30 EIEDRO CCC1([NH2+]C2CCC(C)(C#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC001173591370 1050494644 /nfs/dbraw/zinc/49/46/44/1050494644.db2.gz PKUOHVHQPKXJFG-UHFFFAOYSA-N 1 0 349.519 4.228 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(CC[NH2+]C2CCC(C)(C#N)CC2)cc1 ZINC001173590775 1050494879 /nfs/dbraw/zinc/49/48/79/1050494879.db2.gz MWYJEHDQPOZQRG-UHFFFAOYSA-N 1 0 342.483 4.246 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001173595742 1050496126 /nfs/dbraw/zinc/49/61/26/1050496126.db2.gz VHZQZKITQWLYIU-OVESXRPUSA-N 1 0 338.495 4.498 20 30 EIEDRO CC1(C#N)CCC([NH2+]C2(Cc3ccc(Cl)cc3)CCOCC2)CC1 ZINC001173591939 1050496500 /nfs/dbraw/zinc/49/65/00/1050496500.db2.gz ZHNKHBBKWNIIGG-UHFFFAOYSA-N 1 0 346.902 4.494 20 30 EIEDRO CC(C)(C)OC(=O)C[N@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173592431 1050497050 /nfs/dbraw/zinc/49/70/50/1050497050.db2.gz NZKYKVWVOOVYJD-UHFFFAOYSA-N 1 0 342.483 4.303 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)CC1 ZINC001173595673 1050497143 /nfs/dbraw/zinc/49/71/43/1050497143.db2.gz SHXMDQNYFZTCAN-SDEKRAFDSA-N 1 0 339.483 4.035 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC001173593255 1050497640 /nfs/dbraw/zinc/49/76/40/1050497640.db2.gz KVHBHXJZVOVCJN-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001173597465 1050499979 /nfs/dbraw/zinc/49/99/79/1050499979.db2.gz UVBOWLAMIABVPG-UHFFFAOYSA-N 1 0 325.431 4.155 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCN([C@H]3CCCc4ccccc43)CC2)CC1 ZINC001173596983 1050500574 /nfs/dbraw/zinc/50/05/74/1050500574.db2.gz CTMAADZKNADXGD-IRQNMHNUSA-N 1 0 337.511 4.154 20 30 EIEDRO Cc1cc(Br)ccc1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618741733 1050502047 /nfs/dbraw/zinc/50/20/47/1050502047.db2.gz MADQVFJXHXKSKN-SFHVURJKSA-N 1 0 341.252 4.406 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)cc1Cl ZINC001178561338 1050507568 /nfs/dbraw/zinc/50/75/68/1050507568.db2.gz GOIJFEONNUMIOH-UHFFFAOYSA-N 1 0 343.764 4.328 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(Br)c1F ZINC001178620871 1050519412 /nfs/dbraw/zinc/51/94/12/1050519412.db2.gz YGAXOSIYFOIGMN-MRXNPFEDSA-N 1 0 345.215 4.237 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173650347 1050533286 /nfs/dbraw/zinc/53/32/86/1050533286.db2.gz JDUOHPAABARUIV-BBWFWOEESA-N 1 0 331.456 4.024 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)CC3 ZINC000618802815 1050533340 /nfs/dbraw/zinc/53/33/40/1050533340.db2.gz FXLKPBDWMPPWCM-UTKZUKDTSA-N 1 0 341.458 4.482 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173650353 1050533598 /nfs/dbraw/zinc/53/35/98/1050533598.db2.gz JDUOHPAABARUIV-GVDBMIGSSA-N 1 0 331.456 4.024 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1 ZINC000618803155 1050534388 /nfs/dbraw/zinc/53/43/88/1050534388.db2.gz GRHFJDKVFCCLCW-YCRPNKLZSA-N 1 0 328.419 4.082 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000618807078 1050535386 /nfs/dbraw/zinc/53/53/86/1050535386.db2.gz SPOMFWJGVLZVPP-KKSFZXQISA-N 1 0 347.462 4.169 20 30 EIEDRO C=CCC1(C[NH2+]C2CCN(C(=O)c3cccc(C)c3)CC2)CCCC1 ZINC001178710378 1050537497 /nfs/dbraw/zinc/53/74/97/1050537497.db2.gz WZAJCNWLOPBYQF-UHFFFAOYSA-N 1 0 340.511 4.326 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCc1ccc(C=C)cc1 ZINC001178778588 1050562063 /nfs/dbraw/zinc/56/20/63/1050562063.db2.gz QQBGEXWSLWLUKM-UHFFFAOYSA-N 1 0 325.839 4.327 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH2+][C@H]3CC[C@@H](C#N)CC3)CC2)cc1 ZINC001173783030 1050569153 /nfs/dbraw/zinc/56/91/53/1050569153.db2.gz QBFHAAZSLRWQCM-ZTKNNRNCSA-N 1 0 340.467 4.310 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1Cl ZINC001179044690 1050615866 /nfs/dbraw/zinc/61/58/66/1050615866.db2.gz NFJGNHNDYTUNHM-ZWKOTPCHSA-N 1 0 334.891 4.011 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000619073159 1050636597 /nfs/dbraw/zinc/63/65/97/1050636597.db2.gz IJAJVNJLKQWBQV-UHFFFAOYSA-N 1 0 331.419 4.083 20 30 EIEDRO C=CCOCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC001179168387 1050644718 /nfs/dbraw/zinc/64/47/18/1050644718.db2.gz CYWFXRJQHHCKQE-UHFFFAOYSA-N 1 0 334.463 4.372 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001179216256 1050652072 /nfs/dbraw/zinc/65/20/72/1050652072.db2.gz JIVRRVQDVIIJFA-GOSISDBHSA-N 1 0 349.261 4.305 20 30 EIEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC001179291210 1050664771 /nfs/dbraw/zinc/66/47/71/1050664771.db2.gz KXFUKLBZDWBPRK-ZDUSSCGKSA-N 1 0 338.234 4.381 20 30 EIEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC001179438382 1050690779 /nfs/dbraw/zinc/69/07/79/1050690779.db2.gz UHWQUOFIHDUQPB-IBGZPJMESA-N 1 0 345.870 4.336 20 30 EIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(-c3ccc(F)cc3)o1)C2 ZINC001179419879 1050696326 /nfs/dbraw/zinc/69/63/26/1050696326.db2.gz VVVIOAZWAVFDCC-LJQANCHMSA-N 1 0 332.378 4.214 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(C)c(C#N)c2)cc1Cl ZINC001179562862 1050718652 /nfs/dbraw/zinc/71/86/52/1050718652.db2.gz VRVUEPSBJATPST-UHFFFAOYSA-N 1 0 326.827 4.375 20 30 EIEDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508365 1050794745 /nfs/dbraw/zinc/79/47/45/1050794745.db2.gz JKQKXLUMLUOUDL-VQTJNVASSA-N 1 0 348.446 4.448 20 30 EIEDRO C#C[C@H](C)[N@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000775182492 1050806558 /nfs/dbraw/zinc/80/65/58/1050806558.db2.gz AHNQTABYPLJKSU-AWEZNQCLSA-N 1 0 326.827 4.046 20 30 EIEDRO C=CC[N@H+](Cc1cn(-c2ccccc2Br)nc1C)C(C)C ZINC001179997634 1050844715 /nfs/dbraw/zinc/84/47/15/1050844715.db2.gz RCRYEWGFMACXAX-UHFFFAOYSA-N 1 0 348.288 4.340 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)C1 ZINC000619672582 1050849595 /nfs/dbraw/zinc/84/95/95/1050849595.db2.gz ALVTVZQVFGCBGL-BPAFIMBUSA-N 1 0 348.425 4.199 20 30 EIEDRO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619755632 1050883161 /nfs/dbraw/zinc/88/31/61/1050883161.db2.gz OARSBQPTGMBFTR-LJQANCHMSA-N 1 0 326.827 4.387 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1Cl ZINC000619754791 1050883454 /nfs/dbraw/zinc/88/34/54/1050883454.db2.gz KSHKOYILQMVKPS-JXFKEZNVSA-N 1 0 340.854 4.469 20 30 EIEDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000619754930 1050884986 /nfs/dbraw/zinc/88/49/86/1050884986.db2.gz OSRODUCUXAEEDB-LBPRGKRZSA-N 1 0 329.787 4.279 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000619755074 1050885809 /nfs/dbraw/zinc/88/58/09/1050885809.db2.gz SHDLLYPFPNOZKJ-QGZVFWFLSA-N 1 0 344.842 4.470 20 30 EIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](c1ccccc1)C(C)C ZINC001180185138 1050896578 /nfs/dbraw/zinc/89/65/78/1050896578.db2.gz XNOPREPOIPFCFA-JOCHJYFZSA-N 1 0 336.479 4.446 20 30 EIEDRO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@H]1Cc1ccc(F)cc1 ZINC001180185101 1050897799 /nfs/dbraw/zinc/89/77/99/1050897799.db2.gz WPYSAMMJSFLSRW-SFHVURJKSA-N 1 0 326.390 4.434 20 30 EIEDRO COCc1csc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC001180154772 1050901252 /nfs/dbraw/zinc/90/12/52/1050901252.db2.gz WYEQUJZTEHRFKU-UHFFFAOYSA-N 1 0 328.481 4.424 20 30 EIEDRO CCC[C@]1(C)CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC001180203682 1050914071 /nfs/dbraw/zinc/91/40/71/1050914071.db2.gz XHKKZOWDMWSREC-OAQYLSRUSA-N 1 0 336.483 4.361 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[C@H]([NH+](CC)CC)C2)c1 ZINC001189267944 1050954079 /nfs/dbraw/zinc/95/40/79/1050954079.db2.gz NGPKIXCMLQXCIH-IBGZPJMESA-N 1 0 343.515 4.081 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC001180531016 1051017169 /nfs/dbraw/zinc/01/71/69/1051017169.db2.gz BHLHCHHXNMCRTL-UHFFFAOYSA-N 1 0 347.384 4.275 20 30 EIEDRO C=CCN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)C1CCCCC1 ZINC001189746357 1051048366 /nfs/dbraw/zinc/04/83/66/1051048366.db2.gz LASWBILMBKEPLU-UHFFFAOYSA-N 1 0 330.472 4.226 20 30 EIEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1-c1ccccc1 ZINC001189731389 1051053318 /nfs/dbraw/zinc/05/33/18/1051053318.db2.gz CNAWLQNUPUPFNI-SFHVURJKSA-N 1 0 335.451 4.126 20 30 EIEDRO COc1cccc(C2CC[NH+](Cc3cc(C#N)ccc3N(C)C)CC2)c1 ZINC001180897469 1051116657 /nfs/dbraw/zinc/11/66/57/1051116657.db2.gz USVLBOZPBBNRIU-UHFFFAOYSA-N 1 0 349.478 4.012 20 30 EIEDRO CC(C)c1cnc(C[NH2+]CCSCc2ccccc2C#N)s1 ZINC000183403924 1051119345 /nfs/dbraw/zinc/11/93/45/1051119345.db2.gz BWVDGADPSMQFEO-UHFFFAOYSA-N 1 0 331.510 4.161 20 30 EIEDRO CCCCCCC[C@H](C)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001181133082 1051162494 /nfs/dbraw/zinc/16/24/94/1051162494.db2.gz NJCGNLZFOPEYQZ-KRWDZBQOSA-N 1 0 331.504 4.163 20 30 EIEDRO C[NH+]1CCN(c2ccc(Nc3sc4ccccc4c3C#N)cc2)CC1 ZINC001174817055 1051183698 /nfs/dbraw/zinc/18/36/98/1051183698.db2.gz ZHBBPYYNLGBKLM-UHFFFAOYSA-N 1 0 348.475 4.268 20 30 EIEDRO C=CCSCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780729447 1051200501 /nfs/dbraw/zinc/20/05/01/1051200501.db2.gz XCCUVLVHPNNYNR-DLBZAZTESA-N 1 0 348.512 4.206 20 30 EIEDRO CC[C@@](C)([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000775392139 1051211551 /nfs/dbraw/zinc/21/15/51/1051211551.db2.gz YROMPQGGYAFTMN-LJQANCHMSA-N 1 0 341.842 4.065 20 30 EIEDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775399275 1051224222 /nfs/dbraw/zinc/22/42/22/1051224222.db2.gz FNWONIQPGOOJQG-BVGQSLNGSA-N 1 0 326.465 4.099 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@@H]3CCc4cc(Cl)ccc43)CC2)nc1 ZINC001174871321 1051226114 /nfs/dbraw/zinc/22/61/14/1051226114.db2.gz BINNPVJQQTVCSC-HXUWFJFHSA-N 1 0 337.854 4.474 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1c(CC)cccc1CC)c1ccccc1 ZINC000775400781 1051226742 /nfs/dbraw/zinc/22/67/42/1051226742.db2.gz MHEBKPFGXLHQBF-HXUWFJFHSA-N 1 0 334.463 4.104 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@@H]3CCc4c3cccc4Cl)CC2)nc1 ZINC001174876127 1051227220 /nfs/dbraw/zinc/22/72/20/1051227220.db2.gz YPRTWEUGBJVCAL-HXUWFJFHSA-N 1 0 337.854 4.474 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@H]3CCc4c3cccc4Cl)CC2)nc1 ZINC001174876125 1051227910 /nfs/dbraw/zinc/22/79/10/1051227910.db2.gz YPRTWEUGBJVCAL-FQEVSTJZSA-N 1 0 337.854 4.474 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC001190707119 1051249831 /nfs/dbraw/zinc/24/98/31/1051249831.db2.gz FINZFPURVGGQBX-UHFFFAOYSA-N 1 0 331.257 4.089 20 30 EIEDRO C[C@@H]1CCC[C@@H]([N@H+](CCCC#N)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001190683489 1051257286 /nfs/dbraw/zinc/25/72/86/1051257286.db2.gz WPJFHMMPPMDFAL-JFIYKMOQSA-N 1 0 328.456 4.346 20 30 EIEDRO C=C(C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 ZINC000620756886 1051274376 /nfs/dbraw/zinc/27/43/76/1051274376.db2.gz USUANNMCEAHUKT-UHFFFAOYSA-N 1 0 329.827 4.304 20 30 EIEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1Cl ZINC000183699221 1051275407 /nfs/dbraw/zinc/27/54/07/1051275407.db2.gz OVMSOPHQJLMHSI-INIZCTEOSA-N 1 0 347.871 4.199 20 30 EIEDRO C=C(C[NH2+]Cc1ccc(OC)c(Br)c1)c1ccccc1 ZINC000620757841 1051276366 /nfs/dbraw/zinc/27/63/66/1051276366.db2.gz QHNQUVURNURKRQ-UHFFFAOYSA-N 1 0 332.241 4.261 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775423853 1051310648 /nfs/dbraw/zinc/31/06/48/1051310648.db2.gz RNHKMVABGPRMFS-MLGOLLRUSA-N 1 0 327.440 4.153 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000775423855 1051311616 /nfs/dbraw/zinc/31/16/16/1051311616.db2.gz RNHKMVABGPRMFS-WBMJQRKESA-N 1 0 327.440 4.153 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccc(C)c2C)c(C#N)c1C ZINC000183729866 1051329583 /nfs/dbraw/zinc/32/95/83/1051329583.db2.gz YFLGGBWVFZRWEQ-CQSZACIVSA-N 1 0 341.480 4.143 20 30 EIEDRO N#Cc1cccc(C2([NH2+]C[C@H](O)c3ccc(Cl)cc3Cl)CC2)c1 ZINC000775430357 1051341088 /nfs/dbraw/zinc/34/10/88/1051341088.db2.gz OPRUPMDSAOGTDN-KRWDZBQOSA-N 1 0 347.245 4.177 20 30 EIEDRO CN(CC(C)(C)C#N)C[C@]1(C(C)(C)C)CC[N@H+](Cc2ccccc2)C1 ZINC001181988362 1051366402 /nfs/dbraw/zinc/36/64/02/1051366402.db2.gz ZRAIECZPNBYVPP-JOCHJYFZSA-N 1 0 341.543 4.406 20 30 EIEDRO CC(C)([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccc(F)c1 ZINC000775443705 1051391086 /nfs/dbraw/zinc/39/10/86/1051391086.db2.gz RTGRWRIRZXTEKR-UHFFFAOYSA-N 1 0 332.806 4.406 20 30 EIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(F)c2ccccc12 ZINC001182139524 1051401838 /nfs/dbraw/zinc/40/18/38/1051401838.db2.gz LFPONMYFEQAHOA-UHFFFAOYSA-N 1 0 348.421 4.499 20 30 EIEDRO CCC(CC)([NH2+]C[C@H](O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC001191582134 1051481797 /nfs/dbraw/zinc/48/17/97/1051481797.db2.gz MHILTMRVLGLEMN-QGZVFWFLSA-N 1 0 334.891 4.390 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000774169577 1051490230 /nfs/dbraw/zinc/49/02/30/1051490230.db2.gz SJWLMRXUZQQTSW-QZTJIDSGSA-N 1 0 348.368 4.049 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccccc1 ZINC000775464549 1051490636 /nfs/dbraw/zinc/49/06/36/1051490636.db2.gz SVUHZJFNQDTPRT-UXHICEINSA-N 1 0 336.435 4.309 20 30 EIEDRO C=CCC[C@H](CC)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000156081097 1051492681 /nfs/dbraw/zinc/49/26/81/1051492681.db2.gz JZUYQAREYGEGMC-HNNXBMFYSA-N 1 0 341.421 4.404 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)c1 ZINC000774241243 1051513027 /nfs/dbraw/zinc/51/30/27/1051513027.db2.gz BBVGNEAFDUCQAJ-FPOVZHCZSA-N 1 0 333.435 4.480 20 30 EIEDRO CC[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000774361406 1051561649 /nfs/dbraw/zinc/56/16/49/1051561649.db2.gz XYVSBRZICWHFTR-RBUKOAKNSA-N 1 0 328.843 4.160 20 30 EIEDRO CC[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000774359417 1051562469 /nfs/dbraw/zinc/56/24/69/1051562469.db2.gz PDZCUEOXLJJWBV-RBUKOAKNSA-N 1 0 328.843 4.160 20 30 EIEDRO C[C@]12CN([C@H](C#N)c3ccccc3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC001175382991 1051563138 /nfs/dbraw/zinc/56/31/38/1051563138.db2.gz YXIXFTCGRZZBET-ZLNRFVROSA-N 1 0 345.490 4.095 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](C[C@H]2COC(C)(C)O2)C(C)(C)C)cc1 ZINC001192052966 1051626043 /nfs/dbraw/zinc/62/60/43/1051626043.db2.gz RTJUUJMWZNPMAC-SFHVURJKSA-N 1 0 333.472 4.003 20 30 EIEDRO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001182523133 1051631343 /nfs/dbraw/zinc/63/13/43/1051631343.db2.gz ZDSLVILPBCFFQW-IBGZPJMESA-N 1 0 327.468 4.015 20 30 EIEDRO N#Cc1cc(F)cc(F)c1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175506628 1051640163 /nfs/dbraw/zinc/64/01/63/1051640163.db2.gz KDTMZXXRPRPHMU-UHFFFAOYSA-N 1 0 325.362 4.038 20 30 EIEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001192172325 1051645125 /nfs/dbraw/zinc/64/51/25/1051645125.db2.gz BGMWAEDQKIBEAG-KDOFPFPSSA-N 1 0 347.890 4.441 20 30 EIEDRO CC1CC[NH+](C[C@H]2CCCN(c3nc4ccccc4cc3C#N)C2)CC1 ZINC000774524465 1051656657 /nfs/dbraw/zinc/65/66/57/1051656657.db2.gz USNRDWDMTCYYBA-GOSISDBHSA-N 1 0 348.494 4.055 20 30 EIEDRO N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)cc1 ZINC001192234453 1051673880 /nfs/dbraw/zinc/67/38/80/1051673880.db2.gz QDCZEZPKXZGGHM-HXUWFJFHSA-N 1 0 339.483 4.322 20 30 EIEDRO CC(C)(C#N)CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000157929179 1051685386 /nfs/dbraw/zinc/68/53/86/1051685386.db2.gz OIOBIGZFFAWWSQ-UHFFFAOYSA-N 1 0 325.431 4.205 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1cc(Cl)ccc1O ZINC000775522431 1051696902 /nfs/dbraw/zinc/69/69/02/1051696902.db2.gz PIZLMEJNYYVIIB-MRXNPFEDSA-N 1 0 330.815 4.167 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cn2)c1 ZINC000775523691 1051702706 /nfs/dbraw/zinc/70/27/06/1051702706.db2.gz LKUJSWXNPIYZTR-BBRMVZONSA-N 1 0 329.831 4.267 20 30 EIEDRO CC#CCCCCCCCC(=O)N(Cc1cccc(C[NH3+])c1)C(C)=N ZINC001182772306 1051708142 /nfs/dbraw/zinc/70/81/42/1051708142.db2.gz SKZQMEKPKSNUPU-UHFFFAOYSA-N 1 0 341.499 4.225 20 30 EIEDRO C=CCCSCC[NH2+][C@@H](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001182781229 1051710216 /nfs/dbraw/zinc/71/02/16/1051710216.db2.gz JENUBWJTJQUXKF-AWEZNQCLSA-N 1 0 340.920 4.264 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3ccc([C@@H](C)C#N)cc3)cc2)CC1 ZINC001175781541 1051783725 /nfs/dbraw/zinc/78/37/25/1051783725.db2.gz VXCFMLLIJJRAJM-KRWDZBQOSA-N 1 0 334.467 4.199 20 30 EIEDRO C#CC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC001192792004 1051817722 /nfs/dbraw/zinc/81/77/22/1051817722.db2.gz OPIQHSSVKICHQH-LJQANCHMSA-N 1 0 343.348 4.291 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCC1OCCCO1)c1ccc(C(F)(F)F)cc1 ZINC000775552176 1051825446 /nfs/dbraw/zinc/82/54/46/1051825446.db2.gz GBWHGWXKYIMCGO-MRXNPFEDSA-N 1 0 343.389 4.455 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(C)c(F)c1 ZINC001192909389 1051829351 /nfs/dbraw/zinc/82/93/51/1051829351.db2.gz IPMXXRSEYOHTIY-GOSISDBHSA-N 1 0 339.414 4.075 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)NCC1C[NH+](Cc2ccccc2)C1 ZINC001192943644 1051833640 /nfs/dbraw/zinc/83/36/40/1051833640.db2.gz CENKSYKNADTIJB-SFHVURJKSA-N 1 0 345.531 4.167 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001192944095 1051835325 /nfs/dbraw/zinc/83/53/25/1051835325.db2.gz KFJDTJYNQKFGGX-KRWDZBQOSA-N 1 0 325.541 4.155 20 30 EIEDRO Cc1cc(C)c(/C=C\C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC001183379616 1051839270 /nfs/dbraw/zinc/83/92/70/1051839270.db2.gz PMENRTSOXYBXBN-PLNGDYQASA-N 1 0 345.490 4.319 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc3c(c2)CCCC3)cc1C#N ZINC001183525839 1051852017 /nfs/dbraw/zinc/85/20/17/1051852017.db2.gz HWAVLQLEHBSEHS-INIZCTEOSA-N 1 0 334.463 4.166 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C)[C@H]1CCCO1 ZINC000775571235 1051873177 /nfs/dbraw/zinc/87/31/77/1051873177.db2.gz DCPQFTJDUMYDQD-AFAVFJNCSA-N 1 0 344.455 4.089 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cc2ccccc2s1)C(=O)Nc1ccccc1C#N ZINC000184352462 1051914121 /nfs/dbraw/zinc/91/41/21/1051914121.db2.gz NGOXPLNJNITUBR-ZIAGYGMSSA-N 1 0 349.459 4.451 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2cc(F)cc(OCc3ccccc3)c2)C1 ZINC001184023932 1051937572 /nfs/dbraw/zinc/93/75/72/1051937572.db2.gz SHFBUAYFDBLHHM-QUCCMNQESA-N 1 0 338.426 4.229 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2cc(F)cc(OCc3ccccc3)c2)C1 ZINC001184023933 1051938482 /nfs/dbraw/zinc/93/84/82/1051938482.db2.gz SHFBUAYFDBLHHM-UYAOXDASSA-N 1 0 338.426 4.229 20 30 EIEDRO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001184046066 1051944356 /nfs/dbraw/zinc/94/43/56/1051944356.db2.gz SGWPLNCCTZWWRH-ZRBLBEILSA-N 1 0 346.474 4.442 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2cc(C#N)ccc2C(F)(F)F)cc1 ZINC001176228649 1051965240 /nfs/dbraw/zinc/96/52/40/1051965240.db2.gz STEUJWSFYYFBLN-UHFFFAOYSA-N 1 0 349.356 4.261 20 30 EIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001193649283 1051966887 /nfs/dbraw/zinc/96/68/87/1051966887.db2.gz NRGSILAXHRGBJR-YZGWKJHDSA-N 1 0 339.483 4.002 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)cc1Cl ZINC001203271498 1052002374 /nfs/dbraw/zinc/00/23/74/1052002374.db2.gz SVSJOESMUDDWSX-OALUTQOASA-N 1 0 335.875 4.342 20 30 EIEDRO CC(C)(C#N)c1cccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001176382209 1052028017 /nfs/dbraw/zinc/02/80/17/1052028017.db2.gz AOSQOXNCLQCTQR-UHFFFAOYSA-N 1 0 349.478 4.106 20 30 EIEDRO CC1(C)[C@H](c2ccc(Cl)cc2)CC[N@@H+]1Cc1cncc(C#N)c1 ZINC001176373714 1052044857 /nfs/dbraw/zinc/04/48/57/1052044857.db2.gz XOLILQLWNPPIOI-SFHVURJKSA-N 1 0 325.843 4.375 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)Nc1c(C)cccc1C(C)(C)C ZINC001184636922 1052065415 /nfs/dbraw/zinc/06/54/15/1052065415.db2.gz BKMOTJUCJHIEQK-INIZCTEOSA-N 1 0 329.488 4.064 20 30 EIEDRO C#CC[N@@H+](CCC(=O)Nc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001176452430 1052076328 /nfs/dbraw/zinc/07/63/28/1052076328.db2.gz KQMKERPMQLETBE-OAQYLSRUSA-N 1 0 332.447 4.028 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3cccc(OCC4CC4)c3)sc2C1 ZINC001176491704 1052091098 /nfs/dbraw/zinc/09/10/98/1052091098.db2.gz DNWVTETVIPQQLG-UHFFFAOYSA-N 1 0 339.464 4.140 20 30 EIEDRO C=CCn1cc(Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cn1 ZINC001176546397 1052113297 /nfs/dbraw/zinc/11/32/97/1052113297.db2.gz TZOYRKLQHJIILT-UHFFFAOYSA-N 1 0 330.435 4.329 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCCC12CCOCC2 ZINC001194270495 1052123028 /nfs/dbraw/zinc/12/30/28/1052123028.db2.gz XTSBQHFYDCTLAT-HXUWFJFHSA-N 1 0 345.531 4.439 20 30 EIEDRO CCCC[N@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCCC[C@H]1OC ZINC001194349125 1052128991 /nfs/dbraw/zinc/12/89/91/1052128991.db2.gz ZKMSWNJRUKJHOK-WOJBJXKFSA-N 1 0 330.472 4.149 20 30 EIEDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccc(OC)cc1 ZINC000774815434 1052158791 /nfs/dbraw/zinc/15/87/91/1052158791.db2.gz DWLZYXJDKINIAQ-SFHVURJKSA-N 1 0 344.842 4.492 20 30 EIEDRO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000184865970 1052271489 /nfs/dbraw/zinc/27/14/89/1052271489.db2.gz BLTQANIUBHOHGZ-INIZCTEOSA-N 1 0 347.418 4.333 20 30 EIEDRO Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)ccc1C#N ZINC000774911020 1052279911 /nfs/dbraw/zinc/27/99/11/1052279911.db2.gz FAPPAKWVFYJTSW-PMACEKPBSA-N 1 0 338.451 4.328 20 30 EIEDRO COc1ccc(C[NH2+]C/C=C/c2ccccc2)cc1OCCCC#N ZINC000171841530 1052455838 /nfs/dbraw/zinc/45/58/38/1052455838.db2.gz QUADEJFNDKIXRA-JXMROGBWSA-N 1 0 336.435 4.181 20 30 EIEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1 ZINC000072726027 1052580798 /nfs/dbraw/zinc/58/07/98/1052580798.db2.gz ZEUPRJRSIPYOHD-GOSISDBHSA-N 1 0 344.462 4.357 20 30 EIEDRO COc1cc(C[N@@H+]2CCC[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000072874516 1052616018 /nfs/dbraw/zinc/61/60/18/1052616018.db2.gz NYJXMZMSTSMFHE-MRXNPFEDSA-N 1 0 336.435 4.130 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000178758017 1052713465 /nfs/dbraw/zinc/71/34/65/1052713465.db2.gz QNBAWKQKOMBFJA-SFHVURJKSA-N 1 0 338.451 4.239 20 30 EIEDRO N#CCSCCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000179813661 1052757959 /nfs/dbraw/zinc/75/79/59/1052757959.db2.gz PTTXEVSDPAYHRR-IBGZPJMESA-N 1 0 328.456 4.346 20 30 EIEDRO C[C@@H](C[N@H+](C)Cc1cccc(OCCCC#N)c1)c1nccs1 ZINC000183249504 1052967532 /nfs/dbraw/zinc/96/75/32/1052967532.db2.gz FUJQZSDLTMYOEM-HNNXBMFYSA-N 1 0 329.469 4.061 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000184794170 1053006926 /nfs/dbraw/zinc/00/69/26/1053006926.db2.gz LYGNZJJWYWCTCE-BBRMVZONSA-N 1 0 346.496 4.105 20 30 EIEDRO C=CCC[C@@H](O)C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001194723990 1053088098 /nfs/dbraw/zinc/08/80/98/1053088098.db2.gz PJEMMYBQDLYXFS-MRXNPFEDSA-N 1 0 343.389 4.092 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H](O)c1ccccc1 ZINC000850280867 1053104393 /nfs/dbraw/zinc/10/43/93/1053104393.db2.gz KOZRSFQQOVKJEU-LEWJYISDSA-N 1 0 334.463 4.090 20 30 EIEDRO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001194875185 1053138885 /nfs/dbraw/zinc/13/88/85/1053138885.db2.gz XOSWJZYWJSTVOZ-AWEZNQCLSA-N 1 0 343.833 4.061 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCn2nc(C)cc2C)cc1 ZINC000764592215 1053217182 /nfs/dbraw/zinc/21/71/82/1053217182.db2.gz QEWTZCSRZVFJPV-KRWDZBQOSA-N 1 0 347.890 4.372 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000850482635 1053253960 /nfs/dbraw/zinc/25/39/60/1053253960.db2.gz QIMSKEUHJQMTAV-WDYCEAGBSA-N 1 0 327.472 4.002 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2C[C@H](O)c3ccccc32)CC1 ZINC000850527037 1053290930 /nfs/dbraw/zinc/29/09/30/1053290930.db2.gz FCGMYXHQIUAVBF-XVFXJTQSSA-N 1 0 332.447 4.159 20 30 EIEDRO C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1ccc(OCC#N)cc1 ZINC000850545395 1053304867 /nfs/dbraw/zinc/30/48/67/1053304867.db2.gz CEIOFLWBNBVXFV-KFKAGJAMSA-N 1 0 342.483 4.366 20 30 EIEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cc(Br)ccc1O ZINC000850551190 1053306793 /nfs/dbraw/zinc/30/67/93/1053306793.db2.gz RNYSFZNZHKAKCO-LBPRGKRZSA-N 1 0 337.261 4.279 20 30 EIEDRO CC(C)[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H](O)c1ccc(Cl)cc1 ZINC000850572845 1053326342 /nfs/dbraw/zinc/32/63/42/1053326342.db2.gz HBIQSDYVWCTYCJ-CXUOOODFSA-N 1 0 334.891 4.460 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000850581204 1053333439 /nfs/dbraw/zinc/33/34/39/1053333439.db2.gz VDROTVIMUGNQAI-LSDHHAIUSA-N 1 0 325.330 4.027 20 30 EIEDRO COc1ccc2c(c1)OC(C)(C)C[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC001195249953 1053343645 /nfs/dbraw/zinc/34/36/45/1053343645.db2.gz HYRSTVLDCPCOPA-OAHLLOKOSA-N 1 0 336.435 4.301 20 30 EIEDRO Cc1cc(F)ccc1[N-][NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000750945760 1053345481 /nfs/dbraw/zinc/34/54/81/1053345481.db2.gz IVKSMEDAYDGVCD-UHFFFAOYSA-N 1 0 347.821 4.070 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cc(C(=O)OC)c(CC)o1)c1ccccc1 ZINC000338934537 1053454734 /nfs/dbraw/zinc/45/47/34/1053454734.db2.gz ACSPOUSBQBAYAP-GOSISDBHSA-N 1 0 327.424 4.426 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000776581004 1053562767 /nfs/dbraw/zinc/56/27/67/1053562767.db2.gz BRQQNONUAYMGGV-SJORKVTESA-N 1 0 349.519 4.038 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000776581003 1053563172 /nfs/dbraw/zinc/56/31/72/1053563172.db2.gz BRQQNONUAYMGGV-IRXDYDNUSA-N 1 0 349.519 4.038 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(F)c(Br)c1)c1cccc(C#N)c1 ZINC001196039027 1053568998 /nfs/dbraw/zinc/56/89/98/1053568998.db2.gz ITLAMSGDGYKCAZ-UHFFFAOYSA-N 1 0 347.231 4.485 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000865696773 1053573892 /nfs/dbraw/zinc/57/38/92/1053573892.db2.gz JVAPWTLZYOJXEN-UHFFFAOYSA-N 1 0 331.872 4.032 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)cc1F ZINC000852521362 1053586703 /nfs/dbraw/zinc/58/67/03/1053586703.db2.gz OCLFRTICMHOLJU-LJQANCHMSA-N 1 0 340.398 4.074 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](Cc2cccnc2)C2CCCC2)cc1 ZINC000865834847 1053603792 /nfs/dbraw/zinc/60/37/92/1053603792.db2.gz WNZSCPOKZCHKNO-HTAPYJJXSA-N 1 0 349.478 4.264 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1C(F)(F)F ZINC001196315098 1053629826 /nfs/dbraw/zinc/62/98/26/1053629826.db2.gz ZPFVAJCBWFGCDN-SJLPKXTDSA-N 1 0 341.417 4.430 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1[O-] ZINC000866219436 1053655016 /nfs/dbraw/zinc/65/50/16/1053655016.db2.gz NUWFXRVTEHDFOY-KRWDZBQOSA-N 1 0 349.478 4.101 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cc3c(ccnc3Cl)o2)CC1 ZINC000866261631 1053667154 /nfs/dbraw/zinc/66/71/54/1053667154.db2.gz XSYCIPZUVRVZBH-CYBMUJFWSA-N 1 0 333.863 4.172 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2cccc3cccnc32)c1 ZINC000338956353 1053683302 /nfs/dbraw/zinc/68/33/02/1053683302.db2.gz XLWRCRNXVKRYSZ-UHFFFAOYSA-N 1 0 345.446 4.250 20 30 EIEDRO N#CCc1cccc2c1CC[N@@H+](CCc1c(F)cccc1Cl)C2 ZINC001196622998 1053715336 /nfs/dbraw/zinc/71/53/36/1053715336.db2.gz NMRIQOFVJYAWDC-UHFFFAOYSA-N 1 0 328.818 4.146 20 30 EIEDRO N#Cc1ccccc1OCC[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001196693385 1053728057 /nfs/dbraw/zinc/72/80/57/1053728057.db2.gz MDTPRTOEFQCEQC-UHFFFAOYSA-N 1 0 346.352 4.014 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000866449467 1053733135 /nfs/dbraw/zinc/73/31/35/1053733135.db2.gz VMRRYVDMCPWLQI-UHFFFAOYSA-N 1 0 349.453 4.202 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cccs1 ZINC000866446113 1053733181 /nfs/dbraw/zinc/73/31/81/1053733181.db2.gz OSZMSSOJVVCRSR-QGZVFWFLSA-N 1 0 325.481 4.329 20 30 EIEDRO CCCCCCCCC[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854078445 1053751181 /nfs/dbraw/zinc/75/11/81/1053751181.db2.gz BWSSFOSXMYAVLN-UHFFFAOYSA-N 1 0 342.487 4.456 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000866535891 1053772283 /nfs/dbraw/zinc/77/22/83/1053772283.db2.gz YURXGIZQPLDTLW-UKPHBRMFSA-N 1 0 338.373 4.384 20 30 EIEDRO C[C@@H]([NH2+][C@@H](Cc1cccnc1)C1CCCC1)c1ccc(OCC#N)cc1 ZINC000866609349 1053802534 /nfs/dbraw/zinc/80/25/34/1053802534.db2.gz LYKMOORNPHHMIM-VGSWGCGISA-N 1 0 349.478 4.436 20 30 EIEDRO C[C@@H]([NH2+][C@H](Cc1cccnc1)C1CCCC1)c1ccc(OCC#N)cc1 ZINC000866609348 1053803040 /nfs/dbraw/zinc/80/30/40/1053803040.db2.gz LYKMOORNPHHMIM-VGOFRKELSA-N 1 0 349.478 4.436 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000866632896 1053812039 /nfs/dbraw/zinc/81/20/39/1053812039.db2.gz PVODJXIDYXUBCD-PBHICJAKSA-N 1 0 331.847 4.200 20 30 EIEDRO Cc1c(C)c(C)c(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c(C)c1C ZINC001197030990 1053828164 /nfs/dbraw/zinc/82/81/64/1053828164.db2.gz GVFSZQSILCBZDP-UHFFFAOYSA-N 1 0 347.506 4.423 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000552258712 1053843869 /nfs/dbraw/zinc/84/38/69/1053843869.db2.gz VIKPBFVTCYORHP-JRGCBEDISA-N 1 0 338.426 4.138 20 30 EIEDRO CCOc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000776767296 1053862398 /nfs/dbraw/zinc/86/23/98/1053862398.db2.gz PYSKZMBKXZKPKX-UHFFFAOYSA-N 1 0 349.478 4.342 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(F)cc2)ccc1OC ZINC000113308831 1053917926 /nfs/dbraw/zinc/91/79/26/1053917926.db2.gz GTTWPFVREAYEKU-RDTXWAMCSA-N 1 0 342.414 4.366 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2OC)cc1 ZINC000113323991 1053924494 /nfs/dbraw/zinc/92/44/94/1053924494.db2.gz ADSOXZVPVLJGTR-HNNXBMFYSA-N 1 0 327.399 4.087 20 30 EIEDRO Cc1csc(C[C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001197863319 1054018459 /nfs/dbraw/zinc/01/84/59/1054018459.db2.gz CXSPMQJQEMNEBO-QGZVFWFLSA-N 1 0 344.911 4.411 20 30 EIEDRO CC1(C)[C@H](c2ccc(Cl)cc2)CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001198026857 1054060427 /nfs/dbraw/zinc/06/04/27/1054060427.db2.gz JLNHSPNOWZRXPX-SFHVURJKSA-N 1 0 325.843 4.375 20 30 EIEDRO C#CCC1([NH2+][C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)CCC1 ZINC001198034446 1054061760 /nfs/dbraw/zinc/06/17/60/1054061760.db2.gz XEAOIFCFOLZTGQ-QGZVFWFLSA-N 1 0 348.446 4.342 20 30 EIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)c1 ZINC000123455466 1054149604 /nfs/dbraw/zinc/14/96/04/1054149604.db2.gz MAPABKWTRRGICB-HXUWFJFHSA-N 1 0 348.471 4.356 20 30 EIEDRO CCCCCCCCCCN(C)C(=O)c1cncn1-c1cc[nH+]cc1 ZINC001198548754 1054191719 /nfs/dbraw/zinc/19/17/19/1054191719.db2.gz ITHPFPMGVRMOQL-UHFFFAOYSA-N 1 0 342.487 4.480 20 30 EIEDRO CN(C)c1ccc(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000775883787 1054217491 /nfs/dbraw/zinc/21/74/91/1054217491.db2.gz XIRDZDLGDRRISG-UHFFFAOYSA-N 1 0 337.442 4.143 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001198684484 1054232720 /nfs/dbraw/zinc/23/27/20/1054232720.db2.gz BLMZMPGARDPJNP-MSOLQXFVSA-N 1 0 337.385 4.090 20 30 EIEDRO CC(=O)[C@@](C#N)(CCSCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000871662047 1054243522 /nfs/dbraw/zinc/24/35/22/1054243522.db2.gz KVASBTPHPFHDNI-FQEVSTJZSA-N 1 0 346.540 4.279 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000857556003 1054308053 /nfs/dbraw/zinc/30/80/53/1054308053.db2.gz KOTSFUUBEQQAMG-DOADOZAASA-N 1 0 341.499 4.045 20 30 EIEDRO Cc1cccc(Cl)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000871877189 1054318046 /nfs/dbraw/zinc/31/80/46/1054318046.db2.gz AISFQGIIPLCHCC-ZIAGYGMSSA-N 1 0 341.842 4.198 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1cccc(C#N)c1)CCCC2 ZINC000872020830 1054335510 /nfs/dbraw/zinc/33/55/10/1054335510.db2.gz KRCIKVMVVKXEIQ-IBGZPJMESA-N 1 0 336.435 4.133 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(C(F)(F)F)nc1 ZINC000872130505 1054406640 /nfs/dbraw/zinc/40/66/40/1054406640.db2.gz NWLLMYQLTVNFPX-BDJLRTHQSA-N 1 0 331.341 4.310 20 30 EIEDRO N#CC1(CC[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)CCCCC1 ZINC000858052727 1054410054 /nfs/dbraw/zinc/41/00/54/1054410054.db2.gz ZNJSMSCNAASBLL-LJQANCHMSA-N 1 0 339.483 4.276 20 30 EIEDRO C[N@@H+]1CC[C@@H](Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1(C)C ZINC000858165563 1054428867 /nfs/dbraw/zinc/42/88/67/1054428867.db2.gz JUKSINCYHVCDPT-MRXNPFEDSA-N 1 0 336.439 4.030 20 30 EIEDRO C[N@@H+]1CC[C@H](Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1(C)C ZINC000858165561 1054429599 /nfs/dbraw/zinc/42/95/99/1054429599.db2.gz JUKSINCYHVCDPT-INIZCTEOSA-N 1 0 336.439 4.030 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872277910 1054433672 /nfs/dbraw/zinc/43/36/72/1054433672.db2.gz ASRAIQGJAPVDCV-GOSISDBHSA-N 1 0 348.874 4.166 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+][C@@H](C)Cc1ccccc1F ZINC001199648129 1054437536 /nfs/dbraw/zinc/43/75/36/1054437536.db2.gz DRXWANRTAQAUHR-AWEZNQCLSA-N 1 0 331.818 4.212 20 30 EIEDRO C#CCCOc1ccc(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000776013425 1054438721 /nfs/dbraw/zinc/43/87/21/1054438721.db2.gz GPMNEPTWKPJUJJ-QHCPKHFHSA-N 1 0 347.458 4.110 20 30 EIEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776014461 1054440011 /nfs/dbraw/zinc/44/00/11/1054440011.db2.gz RTFXJXFOCHCEII-YOEHRIQHSA-N 1 0 325.374 4.252 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000776014014 1054441282 /nfs/dbraw/zinc/44/12/82/1054441282.db2.gz QEMCHQABPLGAMN-UHFFFAOYSA-N 1 0 331.463 4.084 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776012670 1054444945 /nfs/dbraw/zinc/44/49/45/1054444945.db2.gz INULANRJXJZZKO-IOASZLSFSA-N 1 0 326.362 4.140 20 30 EIEDRO CC1([NH+]2CCCCC2)CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000872662517 1054457362 /nfs/dbraw/zinc/45/73/62/1054457362.db2.gz FNJCXFOHWDRMJI-UHFFFAOYSA-N 1 0 340.496 4.013 20 30 EIEDRO N#Cc1ccc(CC2CC[NH+](Cc3ccc(N4CCCC4)o3)CC2)cc1 ZINC001137067596 1054481599 /nfs/dbraw/zinc/48/15/99/1054481599.db2.gz AUEAGYWJCWGJFL-UHFFFAOYSA-N 1 0 349.478 4.206 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3c4cc(Cl)ccc4[nH]c32)nc1 ZINC000858407930 1054483578 /nfs/dbraw/zinc/48/35/78/1054483578.db2.gz NXCKQQRXFYTHSG-SFHVURJKSA-N 1 0 336.826 4.255 20 30 EIEDRO CC(C)[C@@H](CN[C@@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCCCC1 ZINC000776153250 1054750160 /nfs/dbraw/zinc/75/01/60/1054750160.db2.gz AOYKRNJRINWSOQ-GHTZIAJQSA-N 1 0 343.515 4.140 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(N2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000776155618 1054757582 /nfs/dbraw/zinc/75/75/82/1054757582.db2.gz IFHSZDCRNDPZBD-SFHVURJKSA-N 1 0 333.479 4.442 20 30 EIEDRO CCC(C#N)(CC)C(=O)OCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000860199841 1054786319 /nfs/dbraw/zinc/78/63/19/1054786319.db2.gz JCNXRCPHILINTN-UHFFFAOYSA-N 1 0 328.456 4.046 20 30 EIEDRO CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000776162946 1054787902 /nfs/dbraw/zinc/78/79/02/1054787902.db2.gz CJSCRONPNSYAAI-AWEZNQCLSA-N 1 0 344.455 4.442 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1Cl ZINC001201421930 1054794362 /nfs/dbraw/zinc/79/43/62/1054794362.db2.gz DTMYGTNXGQURAN-OAHLLOKOSA-N 1 0 330.859 4.411 20 30 EIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Oc1cccc(C)c1 ZINC000776167562 1054797907 /nfs/dbraw/zinc/79/79/07/1054797907.db2.gz FWPLPDVFPWJXOS-PKOBYXMFSA-N 1 0 338.451 4.406 20 30 EIEDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Oc1cccc(C)c1 ZINC000776167555 1054799153 /nfs/dbraw/zinc/79/91/53/1054799153.db2.gz FWPLPDVFPWJXOS-HKUYNNGSSA-N 1 0 338.451 4.406 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000776169386 1054800030 /nfs/dbraw/zinc/80/00/30/1054800030.db2.gz NHHKDQYJXHKHDD-MDOVXXIYSA-N 1 0 342.414 4.155 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000776169383 1054800280 /nfs/dbraw/zinc/80/02/80/1054800280.db2.gz NHHKDQYJXHKHDD-AVYPCKFXSA-N 1 0 342.414 4.155 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000776171546 1054802095 /nfs/dbraw/zinc/80/20/95/1054802095.db2.gz UJGIQDWCHWRSLT-KQDGPHEJSA-N 1 0 336.435 4.193 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC001201449780 1054811779 /nfs/dbraw/zinc/81/17/79/1054811779.db2.gz KOUQPGZSDPPHED-SVUBNXHSSA-N 1 0 327.472 4.202 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1Cl ZINC001201473688 1054827843 /nfs/dbraw/zinc/82/78/43/1054827843.db2.gz WGLCSTHKCDNDDO-IPELMVKDSA-N 1 0 347.886 4.342 20 30 EIEDRO CC(C)([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000125702886 1054841745 /nfs/dbraw/zinc/84/17/45/1054841745.db2.gz IVXXDEYJNOGTBV-QGZVFWFLSA-N 1 0 349.261 4.423 20 30 EIEDRO CCCCCCCCCCC[N@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001201630494 1054859471 /nfs/dbraw/zinc/85/94/71/1054859471.db2.gz BLUMSMMUHBRIGD-GOSISDBHSA-N 1 0 335.536 4.497 20 30 EIEDRO CCCCCCCCCCC[N@@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001201631311 1054860587 /nfs/dbraw/zinc/86/05/87/1054860587.db2.gz OYPZGBVYIJHFDA-UYAOXDASSA-N 1 0 349.519 4.109 20 30 EIEDRO CCCCCCCCCCC[NH+]1CCN(CCC(C)(C)O)CC1 ZINC001201630947 1054860647 /nfs/dbraw/zinc/86/06/47/1054860647.db2.gz JLNKKCWNBGMWHG-UHFFFAOYSA-N 1 0 326.569 4.296 20 30 EIEDRO COc1cc(C[NH2+]CC2(Cc3ccccc3)CCCC2)ccc1C#N ZINC001201725087 1054886739 /nfs/dbraw/zinc/88/67/39/1054886739.db2.gz CVFNBSLNVBDFJY-UHFFFAOYSA-N 1 0 334.463 4.460 20 30 EIEDRO C=CCN1CC[C@@]2(C[N@H+](CCCCCC)C[C@@H]2c2ccccc2)C1=O ZINC001201746972 1054894538 /nfs/dbraw/zinc/89/45/38/1054894538.db2.gz QWJWEPJTFBYVRG-IRLDBZIGSA-N 1 0 340.511 4.071 20 30 EIEDRO CCCCCCC[N@H+]1Cc2nn(CC3CC3)cc2[C@@H](COCC)C1 ZINC001201762194 1054899483 /nfs/dbraw/zinc/89/94/83/1054899483.db2.gz BDFGPECSTCQBTB-GOSISDBHSA-N 1 0 333.520 4.199 20 30 EIEDRO CCCCCCC[N@H+]1Cc2c(cnn2CC2CC2)[C@H](COCC)C1 ZINC001201762254 1054900005 /nfs/dbraw/zinc/90/00/05/1054900005.db2.gz CPKIPNVFEQNYJJ-SFHVURJKSA-N 1 0 333.520 4.199 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@@H](c2cccc(S(C)(=O)=O)c2)C1 ZINC001201797706 1054909485 /nfs/dbraw/zinc/90/94/85/1054909485.db2.gz DICSOBQLRODGBM-GOSISDBHSA-N 1 0 337.529 4.240 20 30 EIEDRO CCCCCCCC[N@@H+]1C[C@@H](C)[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001201814620 1054911257 /nfs/dbraw/zinc/91/12/57/1054911257.db2.gz QRCRUVVPRCGAAY-WIYYLYMNSA-N 1 0 343.515 4.117 20 30 EIEDRO CCCCCCCC[N@H+]1Cc2ncn(C)c2[C@H](COCC(C)C)C1 ZINC001201814168 1054912612 /nfs/dbraw/zinc/91/26/12/1054912612.db2.gz MOHLRYFBGKQKFH-SFHVURJKSA-N 1 0 335.536 4.352 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201814239 1054913020 /nfs/dbraw/zinc/91/30/20/1054913020.db2.gz MYWAZDXFHYDFJK-ROUUACIJSA-N 1 0 335.561 4.400 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001201776777 1054916236 /nfs/dbraw/zinc/91/62/36/1054916236.db2.gz KXBCTVYDAFRWMT-UHFFFAOYSA-N 1 0 349.544 4.042 20 30 EIEDRO CCCCCCC[N@@H+]1CC[C@]2(c3ccccc3)CCN(C(C)=O)[C@H]2C1 ZINC001201776474 1054916263 /nfs/dbraw/zinc/91/62/63/1054916263.db2.gz DIRHQJPGKJTBHT-FCHUYYIVSA-N 1 0 342.527 4.221 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC001201826417 1054926049 /nfs/dbraw/zinc/92/60/49/1054926049.db2.gz VXQYNKATZGCZFC-HXUWFJFHSA-N 1 0 342.527 4.485 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2C[C@@H](c3nc(C)no3)O[C@@H]2C1 ZINC001201838641 1054930985 /nfs/dbraw/zinc/93/09/85/1054930985.db2.gz AIRDVPCMJDWZOZ-OKZBNKHCSA-N 1 0 335.492 4.281 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2C[C@H](c3nc(C)no3)O[C@@H]2C1 ZINC001201838642 1054931429 /nfs/dbraw/zinc/93/14/29/1054931429.db2.gz AIRDVPCMJDWZOZ-RCCFBDPRSA-N 1 0 335.492 4.281 20 30 EIEDRO CCCCCCCCC[N@H+]1Cc2nn(C)cc2[C@@H](COCC2CC2)C1 ZINC001201838729 1054931707 /nfs/dbraw/zinc/93/17/07/1054931707.db2.gz FCLJVLAGSRVLQR-LJQANCHMSA-N 1 0 347.547 4.497 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001201840177 1054933940 /nfs/dbraw/zinc/93/39/40/1054933940.db2.gz WBZFGMYDGRBROR-VQTJNVASSA-N 1 0 343.515 4.007 20 30 EIEDRO CCC[N@H+](C[C@H](C)CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876623129 1054939648 /nfs/dbraw/zinc/93/96/48/1054939648.db2.gz VRULHBXKAQHNPN-MRXNPFEDSA-N 1 0 337.508 4.038 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC000876630329 1054939682 /nfs/dbraw/zinc/93/96/82/1054939682.db2.gz XFIHGSLMSQHAHC-TZMCWYRMSA-N 1 0 326.893 4.294 20 30 EIEDRO CCCCCCCCCC[N@@H+]1C[C@@H]2C[C@H](Cc3nc(C)no3)O[C@@H]2C1 ZINC001201874843 1054941748 /nfs/dbraw/zinc/94/17/48/1054941748.db2.gz IUINAXKBKFPWHU-IPMKNSEASA-N 1 0 349.519 4.151 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000876673333 1054945767 /nfs/dbraw/zinc/94/57/67/1054945767.db2.gz WBSGBZOBCOAORC-BXUZGUMPSA-N 1 0 348.796 4.085 20 30 EIEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](CCC(C)C)c1ccc(Cl)cc1 ZINC001168593122 1054955615 /nfs/dbraw/zinc/95/56/15/1054955615.db2.gz IXRJAIFDKVNYQR-SFHVURJKSA-N 1 0 349.906 4.169 20 30 EIEDRO N#Cc1ccc(F)c(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000877067024 1055011419 /nfs/dbraw/zinc/01/14/19/1055011419.db2.gz AGPVFITUFNHFJZ-UGKGYDQZSA-N 1 0 349.453 4.155 20 30 EIEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877077383 1055013440 /nfs/dbraw/zinc/01/34/40/1055013440.db2.gz GFQKMOQWCUWVGM-APPDUMDISA-N 1 0 329.806 4.159 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000877107350 1055018164 /nfs/dbraw/zinc/01/81/64/1055018164.db2.gz DAWBGUDBJTWLDG-HOTGVXAUSA-N 1 0 345.487 4.302 20 30 EIEDRO CC1(C)[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@@H]1OCc1ccccc1 ZINC001202092007 1055026511 /nfs/dbraw/zinc/02/65/11/1055026511.db2.gz BAMQHJVXXONSCN-JMDAGXMHSA-N 1 0 326.484 4.432 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)ccc1C#N ZINC001202093159 1055028689 /nfs/dbraw/zinc/02/86/89/1055028689.db2.gz RXFWLBSDRJMZEE-LEWJYISDSA-N 1 0 334.463 4.340 20 30 EIEDRO C[C@@H](CCC#N)C[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000877472266 1055059054 /nfs/dbraw/zinc/05/90/54/1055059054.db2.gz NZBIERHJOLDZDW-KRWDZBQOSA-N 1 0 349.519 4.039 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000877493826 1055062655 /nfs/dbraw/zinc/06/26/55/1055062655.db2.gz OYDZIRLHSMQESI-SAZUREKKSA-N 1 0 332.234 4.296 20 30 EIEDRO C[C@H]1OC2(CC[NH+](Cc3ccc(OCC#N)cc3)CC2)c2ccccc21 ZINC001137124047 1055089079 /nfs/dbraw/zinc/08/90/79/1055089079.db2.gz OCFIDBDXEQZLML-QGZVFWFLSA-N 1 0 348.446 4.171 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CCC3(CCSCC3)CC2)cc1 ZINC000877674190 1055107568 /nfs/dbraw/zinc/10/75/68/1055107568.db2.gz KVYQLHBPJWMUTP-MRXNPFEDSA-N 1 0 330.497 4.087 20 30 EIEDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000877818278 1055127730 /nfs/dbraw/zinc/12/77/30/1055127730.db2.gz ZHWDDBIOFTVJTA-UHFFFAOYSA-N 1 0 347.462 4.004 20 30 EIEDRO Cc1csc([C@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000877814469 1055127947 /nfs/dbraw/zinc/12/79/47/1055127947.db2.gz ZNAOIXLLIVYBGQ-KRWDZBQOSA-N 1 0 341.480 4.124 20 30 EIEDRO CC(=O)[C@](C#N)(CCN(C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000877942062 1055159051 /nfs/dbraw/zinc/15/90/51/1055159051.db2.gz URFSQDLUVLEHRE-HXUWFJFHSA-N 1 0 340.854 4.212 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@H+](C)CCCCc1ccccc1)c1ccccc1 ZINC000877971898 1055165807 /nfs/dbraw/zinc/16/58/07/1055165807.db2.gz SEQYHLHBSSQBAW-QHCPKHFHSA-N 1 0 348.490 4.382 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccccc1 ZINC000878106008 1055190355 /nfs/dbraw/zinc/19/03/55/1055190355.db2.gz JUCPCFWDSAOUFF-FCHUYYIVSA-N 1 0 336.479 4.249 20 30 EIEDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151408 1055195679 /nfs/dbraw/zinc/19/56/79/1055195679.db2.gz QHCJYSNRFIZWDF-XUVXKRRUSA-N 1 0 344.524 4.033 20 30 EIEDRO C=CC1CCN([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000111259623 1055217859 /nfs/dbraw/zinc/21/78/59/1055217859.db2.gz PPOLGWOTXDLIIZ-OAHLLOKOSA-N 1 0 347.528 4.095 20 30 EIEDRO C=CC1CCN(Cc2csc(COc3ccc(OC)cc3)n2)CC1 ZINC000111256310 1055218703 /nfs/dbraw/zinc/21/87/03/1055218703.db2.gz HWOXLIWZZFAYJN-UHFFFAOYSA-N 1 0 344.480 4.129 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)c1ccccc1 ZINC000878368274 1055272914 /nfs/dbraw/zinc/27/29/14/1055272914.db2.gz IMGZOTBLGNDMTI-QGZVFWFLSA-N 1 0 338.480 4.341 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000186318120 1055351373 /nfs/dbraw/zinc/35/13/73/1055351373.db2.gz VVKQLUWHKXMPKK-OAQYLSRUSA-N 1 0 336.435 4.125 20 30 EIEDRO C#CC[C@H]1CCC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000878760670 1055390577 /nfs/dbraw/zinc/39/05/77/1055390577.db2.gz KOBUQEYOCROZNC-INIZCTEOSA-N 1 0 331.419 4.125 20 30 EIEDRO CC[NH+](CC)CCN(Cc1cccs1)c1nccc(C#N)c1Cl ZINC000553446755 1055469189 /nfs/dbraw/zinc/46/91/89/1055469189.db2.gz QNYWSKZBEJQDEL-UHFFFAOYSA-N 1 0 348.903 4.017 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OCC)c(F)c2)cc1 ZINC000765837502 1055823659 /nfs/dbraw/zinc/82/36/59/1055823659.db2.gz YGPSGWLZWWCQBN-HNNXBMFYSA-N 1 0 327.399 4.087 20 30 EIEDRO N#Cc1nc(NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000301190140 1055906273 /nfs/dbraw/zinc/90/62/73/1055906273.db2.gz VUIZPXDHUAMRPK-UHFFFAOYSA-N 1 0 340.858 4.205 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC(C[NH+]4CCCC4)CC3)c2c1 ZINC000301384799 1055930085 /nfs/dbraw/zinc/93/00/85/1055930085.db2.gz WKLSMTDNRAIFMI-UHFFFAOYSA-N 1 0 348.494 4.036 20 30 EIEDRO N#Cc1cc(F)ccc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000301410263 1055934126 /nfs/dbraw/zinc/93/41/26/1055934126.db2.gz OPNSKZGXTFFOCG-CQSZACIVSA-N 1 0 329.444 4.083 20 30 EIEDRO C[NH+](C)[C@@H](CNc1snc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000301485344 1055941746 /nfs/dbraw/zinc/94/17/46/1055941746.db2.gz WMEDOELFUQKKAW-LBPRGKRZSA-N 1 0 341.267 4.036 20 30 EIEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000301492370 1055942766 /nfs/dbraw/zinc/94/27/66/1055942766.db2.gz IAEOJLMTFXJPEX-QWHCGFSZSA-N 1 0 343.298 4.457 20 30 EIEDRO C[C@@H]1C[C@@H](Nc2ccc(Cl)c(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000301510650 1055945251 /nfs/dbraw/zinc/94/52/51/1055945251.db2.gz BHNKUKHPGIYWCU-ZBFHGGJFSA-N 1 0 340.858 4.072 20 30 EIEDRO N#Cc1cc(NC2CCC([NH+]3CCCCC3)CC2)c2ccccc2n1 ZINC000301564728 1055950112 /nfs/dbraw/zinc/95/01/12/1055950112.db2.gz VWASJANSXQJYMB-UHFFFAOYSA-N 1 0 334.467 4.315 20 30 EIEDRO Cc1ccc(C#N)c(NCc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000301873174 1055994645 /nfs/dbraw/zinc/99/46/45/1055994645.db2.gz HUKBJVNTOPSSAG-UHFFFAOYSA-N 1 0 334.467 4.106 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000302115453 1056018777 /nfs/dbraw/zinc/01/87/77/1056018777.db2.gz RGTGIIHTKBMAMO-OAQYLSRUSA-N 1 0 333.435 4.010 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000302118504 1056018955 /nfs/dbraw/zinc/01/89/55/1056018955.db2.gz SMWGOKFTTFRKCC-UHFFFAOYSA-N 1 0 347.462 4.146 20 30 EIEDRO N#Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1C(F)(F)F ZINC000302211617 1056031507 /nfs/dbraw/zinc/03/15/07/1056031507.db2.gz ZNBWXYGZYAEAHX-SCLBCKFNSA-N 1 0 349.400 4.030 20 30 EIEDRO N#Cc1ccc(C(F)(F)F)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000302271322 1056038471 /nfs/dbraw/zinc/03/84/71/1056038471.db2.gz HICJOZGVGQHLQP-YOEHRIQHSA-N 1 0 349.400 4.030 20 30 EIEDRO CCC[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000554177875 1056040110 /nfs/dbraw/zinc/04/01/10/1056040110.db2.gz SNKZHNUAOPCFFM-UHFFFAOYSA-N 1 0 347.528 4.195 20 30 EIEDRO Cc1ccc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)nc1C#N ZINC000302657979 1056060978 /nfs/dbraw/zinc/06/09/78/1056060978.db2.gz OKCFZWJUVANHGR-KRWDZBQOSA-N 1 0 334.467 4.248 20 30 EIEDRO Cc1ccc(NCc2ccccc2C[N@H+](C)Cc2ccco2)nc1C#N ZINC000302689704 1056063658 /nfs/dbraw/zinc/06/36/58/1056063658.db2.gz ZDXAINXEDFIGST-UHFFFAOYSA-N 1 0 346.434 4.099 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cnn(C)c1 ZINC000091412090 1056111885 /nfs/dbraw/zinc/11/18/85/1056111885.db2.gz HUKXSPVKSJUUMG-OAQYLSRUSA-N 1 0 330.435 4.200 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(-c3ccncc3)cc2)cc1C#N ZINC000072742493 1056465537 /nfs/dbraw/zinc/46/55/37/1056465537.db2.gz HCAGTKZLHTVBCI-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCCCC1 ZINC000765926086 1056548828 /nfs/dbraw/zinc/54/88/28/1056548828.db2.gz KNXDIKKBRAFULH-IAGOWNOFSA-N 1 0 349.519 4.276 20 30 EIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000921807366 1056612627 /nfs/dbraw/zinc/61/26/27/1056612627.db2.gz PDOXHCMCXUFXKF-BJOHPYRUSA-N 1 0 341.263 4.138 20 30 EIEDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000619611154 1056750606 /nfs/dbraw/zinc/75/06/06/1056750606.db2.gz RWWUDPJUFIPLNQ-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934375 1056797966 /nfs/dbraw/zinc/79/79/66/1056797966.db2.gz IQGSSIKRLIRQNA-GVDBMIGSSA-N 1 0 349.478 4.179 20 30 EIEDRO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934035 1056800199 /nfs/dbraw/zinc/80/01/99/1056800199.db2.gz GSULRMJXVNDFQF-SJORKVTESA-N 1 0 349.478 4.181 20 30 EIEDRO C[NH+](C)C1(C/N=C/c2c(O)ccc3ccccc32)Cc2ccccc2C1 ZINC000741463845 1058221347 /nfs/dbraw/zinc/22/13/47/1058221347.db2.gz IWKGTLAKVXAMHC-BUVRLJJBSA-N 1 0 344.458 4.064 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)cc1C#N ZINC000742366786 1058578054 /nfs/dbraw/zinc/57/80/54/1058578054.db2.gz RPNPMBZOUXAEJD-UHFFFAOYSA-N 1 0 345.402 4.044 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(-c3csc(C)n3)cc2)cc1C#N ZINC000742368927 1058578705 /nfs/dbraw/zinc/57/87/05/1058578705.db2.gz KYFCLCFKSJBIEL-UHFFFAOYSA-N 1 0 349.459 4.289 20 30 EIEDRO C#CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccc(C)c1 ZINC000742382514 1058585295 /nfs/dbraw/zinc/58/52/95/1058585295.db2.gz BTDFFLPYHXPMID-UHFFFAOYSA-N 1 0 343.474 4.410 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](C)Sc2ccccc2)cc1 ZINC000742382927 1058585651 /nfs/dbraw/zinc/58/56/51/1058585651.db2.gz NLPFUFBBHJVSIM-QGZVFWFLSA-N 1 0 325.477 4.359 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](CC)[C@H](O)c2c(F)cccc2F)c1 ZINC000742714686 1058755452 /nfs/dbraw/zinc/75/54/52/1058755452.db2.gz PKNISVAGZDFQEC-QUCCMNQESA-N 1 0 347.405 4.131 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)C2CCCCC2)cc1 ZINC000743481611 1059014622 /nfs/dbraw/zinc/01/46/22/1059014622.db2.gz PRQXCZPNWDVWMW-QZTJIDSGSA-N 1 0 341.499 4.189 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)C2CCCCC2)cc1 ZINC000743481610 1059016346 /nfs/dbraw/zinc/01/63/46/1059016346.db2.gz PRQXCZPNWDVWMW-MSOLQXFVSA-N 1 0 341.499 4.189 20 30 EIEDRO C[C@@H](NC1CC[NH+](CC2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000743474571 1059026207 /nfs/dbraw/zinc/02/62/07/1059026207.db2.gz VMOWJSLEMJCMFV-QGZVFWFLSA-N 1 0 325.500 4.254 20 30 EIEDRO CC(=NNc1ccc2ccccc2n1)c1cccc(OCC[NH+](C)C)c1 ZINC000743525860 1059038350 /nfs/dbraw/zinc/03/83/50/1059038350.db2.gz LHESTZSDJMHJQP-UHFFFAOYSA-N 1 0 348.450 4.011 20 30 EIEDRO C=CCn1c(C2CC2)nn(C[N@@H+](CC(C)C)C2CCCC2)c1=S ZINC000746056306 1059996162 /nfs/dbraw/zinc/99/61/62/1059996162.db2.gz YXWOGTMSHPUEHU-UHFFFAOYSA-N 1 0 334.533 4.336 20 30 EIEDRO CC[N@H+](CC(=O)N[C@H](C)CCCC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000065433053 1060048565 /nfs/dbraw/zinc/04/85/65/1060048565.db2.gz AIYFOHQQFTZDSM-QZTJIDSGSA-N 1 0 343.515 4.272 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CC)C[C@@H](C)CO)cc1 ZINC000766361347 1060314468 /nfs/dbraw/zinc/31/44/68/1060314468.db2.gz UHUIPWDAMDRAFK-UKPHBRMFSA-N 1 0 325.880 4.266 20 30 EIEDRO Cc1oc2ccccc2c1CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000766478052 1060385796 /nfs/dbraw/zinc/38/57/96/1060385796.db2.gz GKGMGMCYKNRMFM-UHFFFAOYSA-N 1 0 347.462 4.423 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001168839714 1060451718 /nfs/dbraw/zinc/45/17/18/1060451718.db2.gz NBZCVVDXPJXTLX-RYQLBKOJSA-N 1 0 330.472 4.291 20 30 EIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](Cc1sccc1C)CC2 ZINC001204018719 1060515663 /nfs/dbraw/zinc/51/56/63/1060515663.db2.gz BQYBEPJVCFSRMA-UHFFFAOYSA-N 1 0 348.512 4.057 20 30 EIEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001168979414 1060547879 /nfs/dbraw/zinc/54/78/79/1060547879.db2.gz DZNNEAXEKGWAMA-CXAGYDPISA-N 1 0 333.863 4.099 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2oc3ccccc3c2C)cc1 ZINC001168982916 1060552333 /nfs/dbraw/zinc/55/23/33/1060552333.db2.gz UJZMYSCELLHMHD-MRXNPFEDSA-N 1 0 346.430 4.402 20 30 EIEDRO CC(C)c1ccc(CC2CC[NH+](C[C@H](O)CC3(C#N)CC3)CC2)cc1 ZINC001168958399 1060555651 /nfs/dbraw/zinc/55/56/51/1060555651.db2.gz SWBCDNGRVDLMPU-OAQYLSRUSA-N 1 0 340.511 4.119 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@@H]2CCC(C)C)cc1 ZINC001169364785 1060780979 /nfs/dbraw/zinc/78/09/79/1060780979.db2.gz FRXTZXNXKCPXLI-QUCCMNQESA-N 1 0 326.484 4.191 20 30 EIEDRO C=C(C)[C@@H]([NH2+]C[C@H]1Cc2cc(OC)ccc2O1)c1ccc(F)c(F)c1 ZINC001169472532 1060833723 /nfs/dbraw/zinc/83/37/23/1060833723.db2.gz HSZLYVQTAGYLST-OXQOHEQNSA-N 1 0 345.389 4.184 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(C(F)(F)F)c(C#N)n1 ZINC001169682362 1060896765 /nfs/dbraw/zinc/89/67/65/1060896765.db2.gz BMNLEXOHTXCIFP-CQSZACIVSA-N 1 0 346.356 4.212 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncc2ccccc2c1C#N ZINC001169684783 1060898205 /nfs/dbraw/zinc/89/82/05/1060898205.db2.gz LXWAROOSUDRBGB-LJQANCHMSA-N 1 0 328.419 4.347 20 30 EIEDRO N#Cc1cccc([C@H](O)C[NH+]2CCC(c3cccc(Cl)c3)CC2)c1 ZINC001169686047 1060898355 /nfs/dbraw/zinc/89/83/55/1060898355.db2.gz DXBRNSUZSXVHPE-HXUWFJFHSA-N 1 0 340.854 4.125 20 30 EIEDRO C=C[C@H]1CCCC[N@@H+]1CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC001169862503 1061013718 /nfs/dbraw/zinc/01/37/18/1061013718.db2.gz GMXGMDUHZFRRNJ-FQEVSTJZSA-N 1 0 342.483 4.076 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000097393567 219021037 /nfs/dbraw/zinc/02/10/37/219021037.db2.gz VLEXSYMOGKJFFF-UHFFFAOYSA-N 1 0 325.843 4.288 20 30 EIEDRO C[N+](C)(C1CCCC1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000188672396 717157898 /nfs/dbraw/zinc/15/78/98/717157898.db2.gz HKORGULHCWXTQT-MRXNPFEDSA-N 1 0 342.290 4.118 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C12CCCC2 ZINC000236892428 1032207138 /nfs/dbraw/zinc/20/71/38/1032207138.db2.gz SRPPWKWRFGIMPU-VQTJNVASSA-N 1 0 342.483 4.197 20 30 EIEDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C)cc1OCCCC#N ZINC000237201975 1032225577 /nfs/dbraw/zinc/22/55/77/1032225577.db2.gz BSZLQSVKTUMXGH-FUHWJXTLSA-N 1 0 330.472 4.294 20 30 EIEDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)cc1OCCCC#N ZINC000237185884 1032225851 /nfs/dbraw/zinc/22/58/51/1032225851.db2.gz UWGUYDDGXAXLCQ-DLBZAZTESA-N 1 0 330.472 4.294 20 30 EIEDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)cc1OCCCC#N ZINC000237183470 1032227029 /nfs/dbraw/zinc/22/70/29/1032227029.db2.gz BSZLQSVKTUMXGH-AEFFLSMTSA-N 1 0 330.472 4.294 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2nccc3ccccc32)c1 ZINC000237823751 1032236754 /nfs/dbraw/zinc/23/67/54/1032236754.db2.gz HDTIUZOATWWWOL-UHFFFAOYSA-N 1 0 331.419 4.207 20 30 EIEDRO Cc1ccc(C[N@@H+](CCC(=O)Nc2sccc2C#N)C(C)C)s1 ZINC000065162078 1032257050 /nfs/dbraw/zinc/25/70/50/1032257050.db2.gz JJUXLQGPAGMCQL-UHFFFAOYSA-N 1 0 347.509 4.229 20 30 EIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000532744740 1032282065 /nfs/dbraw/zinc/28/20/65/1032282065.db2.gz WNWVCRVMIWDNIL-FQEVSTJZSA-N 1 0 333.435 4.032 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340209 1032285071 /nfs/dbraw/zinc/28/50/71/1032285071.db2.gz QUAIGMWDELQRTE-OAHLLOKOSA-N 1 0 339.414 4.109 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475701960 1032300517 /nfs/dbraw/zinc/30/05/17/1032300517.db2.gz NGBDSEQMIQDBFM-ZIAGYGMSSA-N 1 0 332.419 4.036 20 30 EIEDRO COC1CC[NH+](C2(CNc3cccc(Cl)c3C#N)CCCC2)CC1 ZINC000450325794 1032416222 /nfs/dbraw/zinc/41/62/22/1032416222.db2.gz VLSSFIWSYRARBX-UHFFFAOYSA-N 1 0 347.890 4.047 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000245734236 1032447458 /nfs/dbraw/zinc/44/74/58/1032447458.db2.gz KHQJAXHTJKSEDN-MOPGFXCFSA-N 1 0 330.497 4.229 20 30 EIEDRO Cc1cccc(C)c1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000533039713 1032452937 /nfs/dbraw/zinc/45/29/37/1032452937.db2.gz CZPRSNVJWGWNJX-UHFFFAOYSA-N 1 0 347.462 4.026 20 30 EIEDRO COCc1ccc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529641084 1032501642 /nfs/dbraw/zinc/50/16/42/1032501642.db2.gz BJPRYNFSXBXCIW-HKUYNNGSSA-N 1 0 349.478 4.027 20 30 EIEDRO N#Cc1ccc(F)c(CN2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000533146972 1032515999 /nfs/dbraw/zinc/51/59/99/1032515999.db2.gz HRUUNDBAAGVJDQ-UHFFFAOYSA-N 1 0 344.817 4.394 20 30 EIEDRO CC[C@@H](C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000529670765 1032525136 /nfs/dbraw/zinc/52/51/36/1032525136.db2.gz APXPFAQEPCLWKA-IBGZPJMESA-N 1 0 334.463 4.347 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)c(F)c1 ZINC000533308963 1032620437 /nfs/dbraw/zinc/62/04/37/1032620437.db2.gz UBRHDWNEPJEDFX-MRXNPFEDSA-N 1 0 343.833 4.109 20 30 EIEDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2ccccc2C#N)c1 ZINC000533299992 1032631802 /nfs/dbraw/zinc/63/18/02/1032631802.db2.gz VQDWLDANIVLESS-KRWDZBQOSA-N 1 0 335.451 4.197 20 30 EIEDRO Cc1[nH]c2ccc(Nc3cc(F)c(Br)cc3C#N)cc2[nH+]1 ZINC001213077414 1032779092 /nfs/dbraw/zinc/77/90/92/1032779092.db2.gz WFRQYTDABIZPOQ-UHFFFAOYSA-N 1 0 345.175 4.388 20 30 EIEDRO Cc1cc(-c2noc([C@H](C)[NH+]3CCC(CCC#N)CC3)n2)ccc1F ZINC000579705985 1018803758 /nfs/dbraw/zinc/80/37/58/1018803758.db2.gz VHLIZWBURCEUCV-AWEZNQCLSA-N 1 0 342.418 4.261 20 30 EIEDRO Cc1ccc(C#N)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000557756596 1018872273 /nfs/dbraw/zinc/87/22/73/1018872273.db2.gz PUPLUNYDDGLXIN-UHFFFAOYSA-N 1 0 333.435 4.105 20 30 EIEDRO N#Cc1csc(CN2CC[C@H](Sc3cccc(Cl)c3)C2)n1 ZINC000430199340 1019227562 /nfs/dbraw/zinc/22/75/62/1019227562.db2.gz UEVFMNVASQKFJB-AWEZNQCLSA-N 1 0 335.885 4.035 20 30 EIEDRO C=CC(C)(C)CC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001266291362 1019456689 /nfs/dbraw/zinc/45/66/89/1019456689.db2.gz CWIIPHWUSYYYGW-PKOBYXMFSA-N 1 0 328.500 4.006 20 30 EIEDRO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC001203385873 1019533101 /nfs/dbraw/zinc/53/31/01/1019533101.db2.gz XKTJQIBTIYZWDK-GOSISDBHSA-N 1 0 326.827 4.255 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2CCC(C)(C)CC2)ccc1OC ZINC000236893122 1032837124 /nfs/dbraw/zinc/83/71/24/1032837124.db2.gz XJCNTALZMDXGPX-QGZVFWFLSA-N 1 0 330.472 4.435 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274816884 1019757022 /nfs/dbraw/zinc/75/70/22/1019757022.db2.gz ZJHHKFHHHPXGQA-HBFSDRIKSA-N 1 0 349.478 4.300 20 30 EIEDRO N#CC(CCN1CCO[C@H]2CCC[C@H]21)(c1ccccc1)c1ccccc1 ZINC000430284165 1019985594 /nfs/dbraw/zinc/98/55/94/1019985594.db2.gz MMVWTSNKWFSTRT-YADHBBJMSA-N 1 0 346.474 4.140 20 30 EIEDRO CC[N@H+](CCN1CCCc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC001167129662 1020301883 /nfs/dbraw/zinc/30/18/83/1020301883.db2.gz AUTHFQFHHBRPTF-GOSISDBHSA-N 1 0 333.479 4.394 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000748099564 1020343225 /nfs/dbraw/zinc/34/32/25/1020343225.db2.gz ZAVGQMMMDOYYHK-RFAUZJTJSA-N 1 0 341.263 4.138 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001209442154 1020352592 /nfs/dbraw/zinc/35/25/92/1020352592.db2.gz UUQJYCDXIJYFHA-UHFFFAOYSA-N 1 0 342.531 4.004 20 30 EIEDRO Cc1ccc(N2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)[nH+]c1C ZINC001167151204 1020390755 /nfs/dbraw/zinc/39/07/55/1020390755.db2.gz VVZOQNCKSNQQRT-UHFFFAOYSA-N 1 0 341.842 4.271 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(C#N)c2C)cc1 ZINC000432830978 1032897955 /nfs/dbraw/zinc/89/79/55/1032897955.db2.gz IAMVARPREWRQQL-UHFFFAOYSA-N 1 0 335.451 4.351 20 30 EIEDRO CC(C)C[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001167240251 1020649190 /nfs/dbraw/zinc/64/91/90/1020649190.db2.gz BELCQEDYVZITTB-UHFFFAOYSA-N 1 0 347.462 4.357 20 30 EIEDRO CC(C)Oc1ccccc1C[NH2+]CCSCc1ccccc1C#N ZINC000608841899 1020875780 /nfs/dbraw/zinc/87/57/80/1020875780.db2.gz WURCNARTMPANMF-UHFFFAOYSA-N 1 0 340.492 4.368 20 30 EIEDRO N#Cc1cnc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)c(Cl)c1 ZINC000610279268 1020916241 /nfs/dbraw/zinc/91/62/41/1020916241.db2.gz ODUFVIIPEIYLQM-GOSISDBHSA-N 1 0 340.858 4.246 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)s1 ZINC000176951730 1020937925 /nfs/dbraw/zinc/93/79/25/1020937925.db2.gz YCTZKRQWHQWHQA-UHFFFAOYSA-N 1 0 339.464 4.038 20 30 EIEDRO Cc1ccc(C[C@H]([NH2+]Cc2ccc(C#N)s2)c2ccccn2)cc1 ZINC000176970586 1020942101 /nfs/dbraw/zinc/94/21/01/1020942101.db2.gz OTGBBMHGLNVFHE-FQEVSTJZSA-N 1 0 333.460 4.397 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)s1 ZINC000176964567 1020942257 /nfs/dbraw/zinc/94/22/57/1020942257.db2.gz OTCHRMXMDPELEL-OAHLLOKOSA-N 1 0 333.254 4.159 20 30 EIEDRO C=CC(C)(C)C(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC001125380446 1020956933 /nfs/dbraw/zinc/95/69/33/1020956933.db2.gz FXIOJOZLDPMOQZ-UHFFFAOYSA-N 1 0 349.906 4.023 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(OCC#N)cc1 ZINC000177304312 1020964608 /nfs/dbraw/zinc/96/46/08/1020964608.db2.gz BOSZPCZODQFYHT-IRXDYDNUSA-N 1 0 346.434 4.186 20 30 EIEDRO N#CCCC[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccccc1 ZINC000340431068 1021013658 /nfs/dbraw/zinc/01/36/58/1021013658.db2.gz JIUDSEAPTJAOGI-SFHVURJKSA-N 1 0 340.496 4.137 20 30 EIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000340444671 1021039792 /nfs/dbraw/zinc/03/97/92/1021039792.db2.gz IAXCKEJLEXWDAY-UTKZUKDTSA-N 1 0 345.450 4.353 20 30 EIEDRO N#Cc1ccc(NC(=O)C[N@H+](CC2CC2)C2CCCCC2)cc1Cl ZINC001167314731 1021060769 /nfs/dbraw/zinc/06/07/69/1021060769.db2.gz PECUFQVJGBYSOA-UHFFFAOYSA-N 1 0 345.874 4.195 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1OCC(C)C ZINC000610344694 1021341862 /nfs/dbraw/zinc/34/18/62/1021341862.db2.gz GBCKLPDIPBPGAS-MRXNPFEDSA-N 1 0 338.451 4.452 20 30 EIEDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)ccc1OC1CCCC1 ZINC000570414788 1021422267 /nfs/dbraw/zinc/42/22/67/1021422267.db2.gz XMKZHASVBXWBQP-ZOBUZTSGSA-N 1 0 328.456 4.359 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000177686679 1021446687 /nfs/dbraw/zinc/44/66/87/1021446687.db2.gz DYNONDUIVNKCFU-UHFFFAOYSA-N 1 0 339.395 4.236 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(C#N)cc1 ZINC000376165998 1021640160 /nfs/dbraw/zinc/64/01/60/1021640160.db2.gz KJBULWUKDGWFEO-ZBFHGGJFSA-N 1 0 341.405 4.014 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCCSc2ccc(F)cc2)O1 ZINC000376167236 1021642593 /nfs/dbraw/zinc/64/25/93/1021642593.db2.gz PETUVBKCLZPHOR-OWYHZJEWSA-N 1 0 348.487 4.137 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]Cc2cccc(C(F)(F)F)c2)O1 ZINC000376167983 1021648815 /nfs/dbraw/zinc/64/88/15/1021648815.db2.gz SFWFRZVOEGSZRO-VQHPVUNQSA-N 1 0 338.373 4.035 20 30 EIEDRO C[C@H]1CC(=O)C=C(Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)C1 ZINC001210776041 1021665613 /nfs/dbraw/zinc/66/56/13/1021665613.db2.gz LCUBKRMZKOJDIF-IIBYNOLFSA-N 1 0 338.495 4.325 20 30 EIEDRO C=CCC[C@@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000580170076 1021730646 /nfs/dbraw/zinc/73/06/46/1021730646.db2.gz IZONQLDQTHNZHJ-LJQANCHMSA-N 1 0 335.451 4.161 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000580253769 1021803831 /nfs/dbraw/zinc/80/38/31/1021803831.db2.gz MQKPKAMZLNTEFH-KRWDZBQOSA-N 1 0 330.353 4.394 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)c(C)c1OC ZINC000580303844 1021832002 /nfs/dbraw/zinc/83/20/02/1021832002.db2.gz VIYXVOSXJHQGBB-ZDUSSCGKSA-N 1 0 344.842 4.388 20 30 EIEDRO Cc1cc(C)c(C#N)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000379670622 1021868808 /nfs/dbraw/zinc/86/88/08/1021868808.db2.gz JFBAKANMQLRWIK-IEBWSBKVSA-N 1 0 334.467 4.035 20 30 EIEDRO N#Cc1ccc(CNCc2cnc(-c3cccs3)s2)c(F)c1 ZINC000083455633 1021891593 /nfs/dbraw/zinc/89/15/93/1021891593.db2.gz FQLPWWMPRCZMKX-UHFFFAOYSA-N 1 0 329.425 4.172 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3ccc(Cl)cc3)C1)CC2 ZINC000582055530 1021902043 /nfs/dbraw/zinc/90/20/43/1021902043.db2.gz REUPBPPCZMGMGE-PXNSSMCTSA-N 1 0 337.854 4.067 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC001167391535 1021954925 /nfs/dbraw/zinc/95/49/25/1021954925.db2.gz KBYRMVIJZYWNHX-FQEVSTJZSA-N 1 0 344.474 4.389 20 30 EIEDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1Cl ZINC000582456532 1021955685 /nfs/dbraw/zinc/95/56/85/1021955685.db2.gz XEFVVSMUGABSCF-WOJBJXKFSA-N 1 0 339.870 4.091 20 30 EIEDRO C=CC[N@@H+](CC(=O)Nc1nc(CC)c(C)s1)CC1CCCCC1 ZINC001167392321 1021972045 /nfs/dbraw/zinc/97/20/45/1021972045.db2.gz SLDVJICOFSGKLV-UHFFFAOYSA-N 1 0 335.517 4.021 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613414587 1021981530 /nfs/dbraw/zinc/98/15/30/1021981530.db2.gz XFBVIKITSDEIGO-NUJGCVRESA-N 1 0 340.515 4.092 20 30 EIEDRO CC[N@H+](C)Cc1cccc(CNc2nc(C(C)(C)C)ccc2C#N)c1 ZINC000613415956 1021986170 /nfs/dbraw/zinc/98/61/70/1021986170.db2.gz QEUKDTBCMPCZJT-UHFFFAOYSA-N 1 0 336.483 4.315 20 30 EIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000512532982 1033026845 /nfs/dbraw/zinc/02/68/45/1033026845.db2.gz YARCLHOAYKSJIC-UHFFFAOYSA-N 1 0 342.443 4.259 20 30 EIEDRO C=CCCC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549026265 1022088018 /nfs/dbraw/zinc/08/80/18/1022088018.db2.gz CFDBPGKHLQLPCI-WQHGSSGSSA-N 1 0 346.902 4.336 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000341102179 1022096125 /nfs/dbraw/zinc/09/61/25/1022096125.db2.gz QKWOAWUJUCFZGA-SFHVURJKSA-N 1 0 341.842 4.281 20 30 EIEDRO N#CCSCCC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000377921878 1022098597 /nfs/dbraw/zinc/09/85/97/1022098597.db2.gz WMPPRNMKMDQWMM-UHFFFAOYSA-N 1 0 331.460 4.133 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000178179205 1022140752 /nfs/dbraw/zinc/14/07/52/1022140752.db2.gz KSCGGGMVNOSPBR-HZPDHXFCSA-N 1 0 333.435 4.097 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000174734250 1022148650 /nfs/dbraw/zinc/14/86/50/1022148650.db2.gz IVQOCGDGCUIAGT-UHFFFAOYSA-N 1 0 335.451 4.108 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2Cl)C1 ZINC000414207913 1022158630 /nfs/dbraw/zinc/15/86/30/1022158630.db2.gz HYDHKGAHYMTMMU-JQWIXIFHSA-N 1 0 327.653 4.274 20 30 EIEDRO C[C@H]1Cc2ccccc2N1C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000610447532 1022230020 /nfs/dbraw/zinc/23/00/20/1022230020.db2.gz JBUJCRVCRNHDLL-KRWDZBQOSA-N 1 0 325.500 4.232 20 30 EIEDRO CC(C)c1ccc(CN2CC[NH+](CCCC(C)(C)C#N)CC2)cc1 ZINC000610447504 1022231709 /nfs/dbraw/zinc/23/17/09/1022231709.db2.gz WFXOKQBOMLRDFN-UHFFFAOYSA-N 1 0 327.516 4.258 20 30 EIEDRO CC1(c2ccc(Br)cc2)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000549674300 1033040091 /nfs/dbraw/zinc/04/00/91/1033040091.db2.gz NDGUOWCBFPDVEG-RHSMWYFYSA-N 1 0 347.300 4.495 20 30 EIEDRO COc1cc(F)c(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1OC ZINC000580650211 1022342628 /nfs/dbraw/zinc/34/26/28/1022342628.db2.gz IDJBLSQHQJSXCA-GOSISDBHSA-N 1 0 342.414 4.368 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]C(Cc2ccccc2F)Cc2ccccc2F)C1 ZINC000471610375 1022382491 /nfs/dbraw/zinc/38/24/91/1022382491.db2.gz GENPWAMPMULJCS-CRAIPNDOSA-N 1 0 340.417 4.400 20 30 EIEDRO C[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000188025035 1022413151 /nfs/dbraw/zinc/41/31/51/1022413151.db2.gz FNVKMYAITQNUEW-PXNSSMCTSA-N 1 0 325.500 4.081 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)CC2 ZINC000580744118 1022448308 /nfs/dbraw/zinc/44/83/08/1022448308.db2.gz BBVBSOMAIBGWBM-SFHVURJKSA-N 1 0 346.352 4.276 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000180303749 1022507700 /nfs/dbraw/zinc/50/77/00/1022507700.db2.gz RKHKUYMDWWWJHJ-NHCUHLMSSA-N 1 0 338.426 4.252 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000472583955 1022509742 /nfs/dbraw/zinc/50/97/42/1022509742.db2.gz XDBMZMFQGRLLEU-WMZOPIPTSA-N 1 0 345.874 4.194 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc([N+](=O)[O-])cc1 ZINC000177823008 1022577020 /nfs/dbraw/zinc/57/70/20/1022577020.db2.gz LHVVBKZFQBWZFI-CQSZACIVSA-N 1 0 341.436 4.050 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000580860824 1022631352 /nfs/dbraw/zinc/63/13/52/1022631352.db2.gz LTBANCMDRGDQGB-ZLIFDBKOSA-N 1 0 336.273 4.007 20 30 EIEDRO CCCC[NH+](CCCC)CCNc1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001167735001 1022669181 /nfs/dbraw/zinc/66/91/81/1022669181.db2.gz SESIWZBAJIXKTJ-HAVVHWLPSA-N 1 0 343.519 4.094 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962506 1022718531 /nfs/dbraw/zinc/71/85/31/1022718531.db2.gz BTYILOLPIVWLBN-WIYYLYMNSA-N 1 0 333.479 4.121 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cc1)CC2 ZINC000580945045 1022730780 /nfs/dbraw/zinc/73/07/80/1022730780.db2.gz UFXDNIRNMSDAPH-GOSISDBHSA-N 1 0 346.352 4.233 20 30 EIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000180556735 1022732051 /nfs/dbraw/zinc/73/20/51/1022732051.db2.gz CCMKHUMULFSRCX-HXUWFJFHSA-N 1 0 326.415 4.085 20 30 EIEDRO CC(C)[N@H+](Cc1cccnc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356309078 1022747513 /nfs/dbraw/zinc/74/75/13/1022747513.db2.gz STRLGBPHTRBZQG-UHFFFAOYSA-N 1 0 333.357 4.383 20 30 EIEDRO Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000378459401 1022829919 /nfs/dbraw/zinc/82/99/19/1022829919.db2.gz ZIJPHKLXIJIIRL-OWLYRPNTSA-N 1 0 342.414 4.210 20 30 EIEDRO COc1cc(Br)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000180952357 1022865932 /nfs/dbraw/zinc/86/59/32/1022865932.db2.gz KDSWFBLPLJPGNH-GFCCVEGCSA-N 1 0 345.240 4.180 20 30 EIEDRO COc1ccc([C@@H](CCC#N)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000581230533 1022890820 /nfs/dbraw/zinc/89/08/20/1022890820.db2.gz BRRHRXOYFWERQV-FXAWDEMLSA-N 1 0 343.515 4.140 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659248995 1022973521 /nfs/dbraw/zinc/97/35/21/1022973521.db2.gz AQQGUUDITVKGQB-INIZCTEOSA-N 1 0 346.883 4.151 20 30 EIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000340959609 1023013453 /nfs/dbraw/zinc/01/34/53/1023013453.db2.gz RAGNMQSVODGSQV-SFHVURJKSA-N 1 0 348.425 4.020 20 30 EIEDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C12CCCC2 ZINC000581337087 1023032680 /nfs/dbraw/zinc/03/26/80/1023032680.db2.gz UETJHBMJBPVWFY-OALUTQOASA-N 1 0 326.484 4.315 20 30 EIEDRO COCC[N@H+](CCc1ccc2ccccc2c1)Cc1ccc(C#N)cc1 ZINC000511594179 1023094347 /nfs/dbraw/zinc/09/43/47/1023094347.db2.gz BWJXUGKJJLVYCK-UHFFFAOYSA-N 1 0 344.458 4.403 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)C2(Cc3cccs3)CCCCC2)CC1 ZINC000584690530 1023187459 /nfs/dbraw/zinc/18/74/59/1023187459.db2.gz PYFMVXRDOQOEFM-UHFFFAOYSA-N 1 0 346.540 4.008 20 30 EIEDRO CCC(C)(C)N(CCC#N)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000276207365 1023205438 /nfs/dbraw/zinc/20/54/38/1023205438.db2.gz GUFHEDQILDQQNI-UHFFFAOYSA-N 1 0 341.499 4.217 20 30 EIEDRO Cc1cc2c(s1)N(c1ncc(C#N)cc1C)c1ccccc1NC2=N ZINC001167463166 1023221792 /nfs/dbraw/zinc/22/17/92/1023221792.db2.gz CTQPRVFHHWSJAM-UHFFFAOYSA-N 1 0 345.431 4.452 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+](C)C(C1CC1)C1CC1 ZINC000050989257 1023222472 /nfs/dbraw/zinc/22/24/72/1023222472.db2.gz KJJFXQDGPXJQLG-UHFFFAOYSA-N 1 0 330.497 4.024 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000364065997 1023235007 /nfs/dbraw/zinc/23/50/07/1023235007.db2.gz LRWZNPVCGPSJOO-UYAOXDASSA-N 1 0 328.500 4.102 20 30 EIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000376737081 1023274881 /nfs/dbraw/zinc/27/48/81/1023274881.db2.gz OLHPQZSMMLNSQF-UHFFFAOYSA-N 1 0 327.431 4.292 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000417353670 1023280745 /nfs/dbraw/zinc/28/07/45/1023280745.db2.gz XWSXLCJCYZFLTN-IBGZPJMESA-N 1 0 339.370 4.163 20 30 EIEDRO CCCCCCCC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000376970762 1023341040 /nfs/dbraw/zinc/34/10/40/1023341040.db2.gz BAUWWZWUPJBWOF-UHFFFAOYSA-N 1 0 348.453 4.268 20 30 EIEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000581580048 1023384222 /nfs/dbraw/zinc/38/42/22/1023384222.db2.gz DQIHDOHWGVRROV-DLBZAZTESA-N 1 0 340.389 4.260 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCSC[C@H]2c2cccs2)cc1 ZINC000377249560 1023427748 /nfs/dbraw/zinc/42/77/48/1023427748.db2.gz KUZHAFFIZOWAEJ-PBHICJAKSA-N 1 0 344.505 4.329 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000480752461 1023484364 /nfs/dbraw/zinc/48/43/64/1023484364.db2.gz YATVRIDYTHBPSG-JTSKRJEESA-N 1 0 333.479 4.119 20 30 EIEDRO Cn1cc(C[NH2+]CC2CCC(C#N)CC2)c(-c2cc3ccccc3o2)n1 ZINC000377392756 1023506725 /nfs/dbraw/zinc/50/67/25/1023506725.db2.gz QJHHBJAUIXJYSS-UHFFFAOYSA-N 1 0 348.450 4.253 20 30 EIEDRO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000377394845 1023509435 /nfs/dbraw/zinc/50/94/35/1023509435.db2.gz AIGSUGRBSULDEX-JLTOFOAXSA-N 1 0 340.398 4.120 20 30 EIEDRO C=CCc1cc(C[NH2+]CCc2ccccc2Cl)cc(OC)c1O ZINC000500115276 1023509759 /nfs/dbraw/zinc/50/97/59/1023509759.db2.gz ZPEVURGHQCORND-UHFFFAOYSA-N 1 0 331.843 4.115 20 30 EIEDRO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000377394854 1023510347 /nfs/dbraw/zinc/51/03/47/1023510347.db2.gz AIGSUGRBSULDEX-VLIAUNLRSA-N 1 0 340.398 4.120 20 30 EIEDRO CSc1ccc(C[NH2+][C@H](C)c2ccnn2C2CCC2)cc1C#N ZINC000926867271 1023525590 /nfs/dbraw/zinc/52/55/90/1023525590.db2.gz BUTGCNPJEKPCKM-CYBMUJFWSA-N 1 0 326.469 4.052 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](Cc2nnc(-c3c(Cl)cccc3Cl)o2)C1 ZINC000625702479 1023532520 /nfs/dbraw/zinc/53/25/20/1023532520.db2.gz YQHUHJRWUXWXGA-NSHDSACASA-N 1 0 338.238 4.441 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000581662828 1023544164 /nfs/dbraw/zinc/54/41/64/1023544164.db2.gz YYYQRAIKQXBXLX-AWEZNQCLSA-N 1 0 335.373 4.160 20 30 EIEDRO COc1cccc(C2(F)CCN(Cc3cccc(C#N)c3F)CC2)c1 ZINC000500156260 1023548056 /nfs/dbraw/zinc/54/80/56/1023548056.db2.gz QOKMCMLDIJZFKW-UHFFFAOYSA-N 1 0 342.389 4.167 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc(OC)c1O ZINC000418140251 1023558765 /nfs/dbraw/zinc/55/87/65/1023558765.db2.gz FNSARVNBTJYTPM-FQEVSTJZSA-N 1 0 348.446 4.168 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)ccc1SC ZINC000418151413 1023567860 /nfs/dbraw/zinc/56/78/60/1023567860.db2.gz XFIHQVKUCKVYKK-SFHVURJKSA-N 1 0 338.476 4.456 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@H](OC)c2cccc(Cl)c2)c1 ZINC000462758584 1023651632 /nfs/dbraw/zinc/65/16/32/1023651632.db2.gz VFENOFZAMDGPCE-IBGZPJMESA-N 1 0 331.843 4.382 20 30 EIEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000558179401 1023694043 /nfs/dbraw/zinc/69/40/43/1023694043.db2.gz JWZFSALPWUICOK-RDJZCZTQSA-N 1 0 327.472 4.033 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415579866 1023705461 /nfs/dbraw/zinc/70/54/61/1023705461.db2.gz KWYWJBSJDAGIEK-GOSISDBHSA-N 1 0 329.488 4.178 20 30 EIEDRO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1 ZINC000051228302 1023733590 /nfs/dbraw/zinc/73/35/90/1023733590.db2.gz VHHRTVRPZFVAGL-UHFFFAOYSA-N 1 0 349.478 4.072 20 30 EIEDRO N#CCC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000759864977 1023753188 /nfs/dbraw/zinc/75/31/88/1023753188.db2.gz JWOZNMUVBMAQIG-ROUUACIJSA-N 1 0 332.806 4.147 20 30 EIEDRO CC[N@H+](CCC1CCN(c2c(C#N)cccc2C#N)CC1)CC(C)C ZINC000436409627 1023817972 /nfs/dbraw/zinc/81/79/72/1023817972.db2.gz AHSOCRJGKFFVSH-UHFFFAOYSA-N 1 0 338.499 4.014 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000188174816 1023823095 /nfs/dbraw/zinc/82/30/95/1023823095.db2.gz UJIXCBSFXDFHTK-RTWAWAEBSA-N 1 0 340.511 4.213 20 30 EIEDRO CCN(Cc1cc(C#N)cs1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000511668112 1023828623 /nfs/dbraw/zinc/82/86/23/1023828623.db2.gz RLZAVZVXMXPTTA-LPHOPBHVSA-N 1 0 339.508 4.277 20 30 EIEDRO CCC[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000341617476 1023946202 /nfs/dbraw/zinc/94/62/02/1023946202.db2.gz QISZUFCPBKLAMX-KRWDZBQOSA-N 1 0 337.467 4.250 20 30 EIEDRO CCC[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000341617477 1023947644 /nfs/dbraw/zinc/94/76/44/1023947644.db2.gz QISZUFCPBKLAMX-QGZVFWFLSA-N 1 0 337.467 4.250 20 30 EIEDRO Cc1noc(CCC[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000543872278 1023950330 /nfs/dbraw/zinc/95/03/30/1023950330.db2.gz PAIZLGPCULRFON-OAHLLOKOSA-N 1 0 346.434 4.200 20 30 EIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000430745254 1024002440 /nfs/dbraw/zinc/00/24/40/1024002440.db2.gz WLAVAVILNKKOEO-DOTOQJQBSA-N 1 0 346.446 4.118 20 30 EIEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000430751571 1024009370 /nfs/dbraw/zinc/00/93/70/1024009370.db2.gz XIWCKAQSVVRWON-NEPJUHHUSA-N 1 0 327.255 4.433 20 30 EIEDRO CO[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1Cl ZINC000124994702 1024045722 /nfs/dbraw/zinc/04/57/22/1024045722.db2.gz DHGQGGNGJBYMON-IFXJQAMLSA-N 1 0 344.842 4.108 20 30 EIEDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)c3ccc(C#N)cc3)c2)CC1 ZINC000125040591 1024068812 /nfs/dbraw/zinc/06/88/12/1024068812.db2.gz DQGYJYNJJWGVTR-GOSISDBHSA-N 1 0 348.494 4.262 20 30 EIEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](CC1CCCCC1)c1ccccc1 ZINC000341646546 1024115215 /nfs/dbraw/zinc/11/52/15/1024115215.db2.gz VHBJTCZEIVWPSF-FQEVSTJZSA-N 1 0 341.499 4.050 20 30 EIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(OC)cc1 ZINC000510635122 1024124013 /nfs/dbraw/zinc/12/40/13/1024124013.db2.gz XDWHJAMQFJSBQB-UHFFFAOYSA-N 1 0 333.435 4.274 20 30 EIEDRO COC[C@@H](C)Oc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1 ZINC000594961355 1024172305 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EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000549803193 1033217845 /nfs/dbraw/zinc/21/78/45/1033217845.db2.gz GZWSNAQBFRRNHU-UHFFFAOYSA-N 1 0 335.451 4.219 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000341763496 1024636730 /nfs/dbraw/zinc/63/67/30/1024636730.db2.gz ZNQOTTXSFZWBDP-GOSISDBHSA-N 1 0 328.362 4.327 20 30 EIEDRO N#Cc1cc(Cl)ccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000511908314 1024742838 /nfs/dbraw/zinc/74/28/38/1024742838.db2.gz OFDOUZHFHDKXMM-LJQANCHMSA-N 1 0 325.843 4.461 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000365125316 1024806633 /nfs/dbraw/zinc/80/66/33/1024806633.db2.gz NAFAFOBQSUEBOT-APWZRJJASA-N 1 0 341.499 4.096 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000662080202 1024851615 /nfs/dbraw/zinc/85/16/15/1024851615.db2.gz NVMORCQWDOFFRM-LZQZEXGQSA-N 1 0 326.484 4.321 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CCCC1 ZINC000184649445 1024939189 /nfs/dbraw/zinc/93/91/89/1024939189.db2.gz BSLFUWQNBMFPAT-LSDHHAIUSA-N 1 0 345.512 4.045 20 30 EIEDRO CCN(CC)[C@H](C[NH2+]Cc1cc(C#N)cs1)c1ccccc1Cl ZINC000236891851 1024946032 /nfs/dbraw/zinc/94/60/32/1024946032.db2.gz SUNAPYCFKJTOCJ-GOSISDBHSA-N 1 0 347.915 4.446 20 30 EIEDRO COC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000341892195 1024947845 /nfs/dbraw/zinc/94/78/45/1024947845.db2.gz WGQQNMWVLCPQAY-VQTJNVASSA-N 1 0 342.389 4.191 20 30 EIEDRO CC[C@H](Cc1cccs1)[NH2+]CCSCc1ccccc1C#N ZINC000610804893 1024992788 /nfs/dbraw/zinc/99/27/88/1024992788.db2.gz QLZYBQXYKULQRA-QGZVFWFLSA-N 1 0 330.522 4.464 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000341930381 1024997877 /nfs/dbraw/zinc/99/78/77/1024997877.db2.gz LRDPYLUETXVRJN-OXJNMPFZSA-N 1 0 326.484 4.073 20 30 EIEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]C2CCN(CC#N)CC2)cc1 ZINC000610812666 1025006259 /nfs/dbraw/zinc/00/62/59/1025006259.db2.gz HHZFEUJVCHKQSP-QGZVFWFLSA-N 1 0 349.478 4.001 20 30 EIEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000610813626 1025020859 /nfs/dbraw/zinc/02/08/59/1025020859.db2.gz MZUANCBQPWLAGW-CQSZACIVSA-N 1 0 343.471 4.193 20 30 EIEDRO C[C@@H]([NH2+]CCOCCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000663311097 1025044438 /nfs/dbraw/zinc/04/44/38/1025044438.db2.gz RZLJPIKWNPWYNA-SECBINFHSA-N 1 0 347.274 4.361 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000610859168 1025073148 /nfs/dbraw/zinc/07/31/48/1025073148.db2.gz GIVLBTVBAWVFKE-PMACEKPBSA-N 1 0 345.490 4.056 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1cc2ccccc2s1 ZINC000602677191 1025126588 /nfs/dbraw/zinc/12/65/88/1025126588.db2.gz WOBKQVNEDOTMFU-HNNXBMFYSA-N 1 0 328.481 4.132 20 30 EIEDRO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001126244193 1025180203 /nfs/dbraw/zinc/18/02/03/1025180203.db2.gz UDIYHASCPUKXGM-NLWGTHIKSA-N 1 0 328.500 4.100 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](CC)c2ccc(C)cc2)CC1 ZINC000159230820 1025196866 /nfs/dbraw/zinc/19/68/66/1025196866.db2.gz GOPXBFDYLLQUIJ-GOSISDBHSA-N 1 0 328.500 4.035 20 30 EIEDRO COc1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)cc1C#N ZINC000610993729 1025229593 /nfs/dbraw/zinc/22/95/93/1025229593.db2.gz FABYACIAEDAVOJ-UHFFFAOYSA-N 1 0 342.483 4.128 20 30 EIEDRO CN(C)c1cc(Cl)cc(Cl)c1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444371 1025233544 /nfs/dbraw/zinc/23/35/44/1025233544.db2.gz ASQSLNNYZAQKOR-AAEUAGOBSA-N 1 0 326.271 4.231 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(c3cccc4ccccc43)CC2)ccn1 ZINC000610992183 1025236510 /nfs/dbraw/zinc/23/65/10/1025236510.db2.gz JNHSPRYGIBPTTH-UHFFFAOYSA-N 1 0 327.431 4.486 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151384932 1025286290 /nfs/dbraw/zinc/28/62/90/1025286290.db2.gz ZLSPMNJBJZGXON-ZDUSSCGKSA-N 1 0 334.448 4.236 20 30 EIEDRO C[C@@H](C#N)C[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000548523527 1025350964 /nfs/dbraw/zinc/35/09/64/1025350964.db2.gz YIXRMCWZYFMBDN-STQMWFEESA-N 1 0 347.256 4.119 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)ccc1C#N ZINC000584677540 1025357497 /nfs/dbraw/zinc/35/74/97/1025357497.db2.gz FVMLJMIDMLNSHD-UHFFFAOYSA-N 1 0 337.467 4.367 20 30 EIEDRO C=CCc1cc(C[NH2+]CC(C)(C)Oc2ccccc2)cc(OC)c1O ZINC000604079298 1025370058 /nfs/dbraw/zinc/37/00/58/1025370058.db2.gz GRKKWTPUZAWBRX-UHFFFAOYSA-N 1 0 341.451 4.077 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cc(Cl)ccc2O)cc(OC)c1OC ZINC000105478063 1025377975 /nfs/dbraw/zinc/37/79/75/1025377975.db2.gz OWNAGSHOTCVZEO-UHFFFAOYSA-N 1 0 347.842 4.081 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1Cl ZINC000105486257 1025383489 /nfs/dbraw/zinc/38/34/89/1025383489.db2.gz VTGAGAFIRBBRLN-QGZVFWFLSA-N 1 0 329.827 4.388 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000066971908 1025587854 /nfs/dbraw/zinc/58/78/54/1025587854.db2.gz CYIFKDQGXVXQMU-UHFFFAOYSA-N 1 0 349.415 4.485 20 30 EIEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cc1C ZINC000140640873 1025685519 /nfs/dbraw/zinc/68/55/19/1025685519.db2.gz WGORZMWOPVVVEI-OAQYLSRUSA-N 1 0 347.462 4.341 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000584702753 1025720151 /nfs/dbraw/zinc/72/01/51/1025720151.db2.gz LWKCGDPPQYMCBN-FQEVSTJZSA-N 1 0 333.435 4.114 20 30 EIEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)c1ccccc1 ZINC000585754513 1025824004 /nfs/dbraw/zinc/82/40/04/1025824004.db2.gz PVLJEKFCZMKJBO-UHFFFAOYSA-N 1 0 341.842 4.017 20 30 EIEDRO COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000585765121 1025827700 /nfs/dbraw/zinc/82/77/00/1025827700.db2.gz JFGMMACNLGWSIX-ISQWPPNESA-N 1 0 332.447 4.336 20 30 EIEDRO COC1(C)CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000278945120 1025855314 /nfs/dbraw/zinc/85/53/14/1025855314.db2.gz YJJGANTWHCPJHC-UHFFFAOYSA-N 1 0 348.490 4.387 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000342326237 1025857894 /nfs/dbraw/zinc/85/78/94/1025857894.db2.gz XJNJYBKBSMTFEU-UHFFFAOYSA-N 1 0 346.272 4.417 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cscc3C#N)cc2)C1 ZINC000432398355 1025864274 /nfs/dbraw/zinc/86/42/74/1025864274.db2.gz DLWMXEXEAVFZAT-CQSZACIVSA-N 1 0 339.464 4.104 20 30 EIEDRO CCC(CC)[N@H+](CC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000344035413 1025892056 /nfs/dbraw/zinc/89/20/56/1025892056.db2.gz SGBPYYHFCDUJMY-UHFFFAOYSA-N 1 0 325.456 4.248 20 30 EIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C12CCCCC2 ZINC001167533988 1025984537 /nfs/dbraw/zinc/98/45/37/1025984537.db2.gz PKYOEVQEMKTHNF-MOPGFXCFSA-N 1 0 330.447 4.257 20 30 EIEDRO Cc1ccccc1[C@H](NCc1ncc(C#N)cn1)[C@H]1CCC[C@H](C)C1 ZINC000582052786 1026033819 /nfs/dbraw/zinc/03/38/19/1026033819.db2.gz SJCPXQCBXIEEHK-UQASEVPWSA-N 1 0 334.467 4.314 20 30 EIEDRO C[N@H+](CCCC1(C#N)CCOCC1)C1CCC(C(F)(F)F)CC1 ZINC000344123837 1026036090 /nfs/dbraw/zinc/03/60/90/1026036090.db2.gz GZJPBHMEPRWFNP-UHFFFAOYSA-N 1 0 332.410 4.140 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000894480335 1026040689 /nfs/dbraw/zinc/04/06/89/1026040689.db2.gz GMLZUHSHILQCKO-XHDPSFHLSA-N 1 0 329.271 4.335 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1cccc(Br)c1 ZINC000048818116 1026072408 /nfs/dbraw/zinc/07/24/08/1026072408.db2.gz HQRAVWFXUFKULD-UHFFFAOYSA-N 1 0 332.241 4.304 20 30 EIEDRO Cc1cccnc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000106481002 1026213420 /nfs/dbraw/zinc/21/34/20/1026213420.db2.gz IZQIGPRRQQPSNG-UHFFFAOYSA-N 1 0 343.430 4.131 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1OCCCC#N ZINC000344355813 1026269339 /nfs/dbraw/zinc/26/93/39/1026269339.db2.gz SCNKNBFILIYGOO-CEXWTWQISA-N 1 0 342.483 4.436 20 30 EIEDRO CCC[C@@H](CCc1ccccc1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000551804248 1026270822 /nfs/dbraw/zinc/27/08/22/1026270822.db2.gz QIUNOTWKGFDFCZ-IBGZPJMESA-N 1 0 332.451 4.097 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000926377728 1026289318 /nfs/dbraw/zinc/28/93/18/1026289318.db2.gz LWIHPSBYWWUEKP-IAQYHMDHSA-N 1 0 336.277 4.213 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000550228131 1026379412 /nfs/dbraw/zinc/37/94/12/1026379412.db2.gz ZABPSOGTHRNSAE-UHFFFAOYSA-N 1 0 341.499 4.249 20 30 EIEDRO N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@@H](c4cccc(F)c4)C3)n2)cc1 ZINC000729468637 1026394706 /nfs/dbraw/zinc/39/47/06/1026394706.db2.gz CVEHZHMPKPUHLG-LJQANCHMSA-N 1 0 346.409 4.008 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1)C1CC1 ZINC000344481539 1026416127 /nfs/dbraw/zinc/41/61/27/1026416127.db2.gz JFCQHACAQSRCNV-UHFFFAOYSA-N 1 0 341.499 4.073 20 30 EIEDRO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000338361040 1026519493 /nfs/dbraw/zinc/51/94/93/1026519493.db2.gz OJLDOIPWEUMHFX-LZJOCLMNSA-N 1 0 349.478 4.255 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779949 1026546115 /nfs/dbraw/zinc/54/61/15/1026546115.db2.gz XYEGPCOCRAPGQP-GCJKJVERSA-N 1 0 345.490 4.406 20 30 EIEDRO Cc1csc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C#N ZINC000344897292 1026700759 /nfs/dbraw/zinc/70/07/59/1026700759.db2.gz OKQHAYIYBOSTOB-UHFFFAOYSA-N 1 0 339.464 4.166 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]CCCCC1(C#N)CCC1)C1CC1 ZINC001167898898 1026713890 /nfs/dbraw/zinc/71/38/90/1026713890.db2.gz SYINLQABORRXOX-IBGZPJMESA-N 1 0 349.519 4.134 20 30 EIEDRO C=CC[C@@H](C(=O)NCC1CC[NH+](CCC(C)C)CC1)c1ccccc1 ZINC000427143681 1026737649 /nfs/dbraw/zinc/73/76/49/1026737649.db2.gz KLPIVLICZYCRJZ-OAQYLSRUSA-N 1 0 342.527 4.221 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CCN1Cc1ccccc1 ZINC000562082608 1026756394 /nfs/dbraw/zinc/75/63/94/1026756394.db2.gz QIEFPVHLSVTHJD-OAOOKAIFSA-N 1 0 345.490 4.188 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657454830 1026773291 /nfs/dbraw/zinc/77/32/91/1026773291.db2.gz MPJLARBYXYQFAO-ZWKOTPCHSA-N 1 0 328.481 4.189 20 30 EIEDRO C=CC[C@H]1N(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCCC1(C)C ZINC000418673769 1026792158 /nfs/dbraw/zinc/79/21/58/1026792158.db2.gz OFCHFKZJMVPQAR-RBUKOAKNSA-N 1 0 343.515 4.243 20 30 EIEDRO C[N@H+](Cc1ccccc1NC(=O)NCC(C)(C)C#N)C1CCCCC1 ZINC000611620182 1026795853 /nfs/dbraw/zinc/79/58/53/1026795853.db2.gz OAOWMMMFLMSCRK-UHFFFAOYSA-N 1 0 342.487 4.122 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+][C@H]3CCCC[C@@H]3C3CC3)CC2)nc1 ZINC000507470066 1026805092 /nfs/dbraw/zinc/80/50/92/1026805092.db2.gz LUCNRKJRJYJJFA-TUNPWDSISA-N 1 0 339.483 4.202 20 30 EIEDRO Cc1cccc(C)c1[C@@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000546227996 1026821320 /nfs/dbraw/zinc/82/13/20/1026821320.db2.gz GHLHVNUEEBZLRY-LJQANCHMSA-N 1 0 347.506 4.490 20 30 EIEDRO CCCCCCCCCCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001625931411 1026823662 /nfs/dbraw/zinc/82/36/62/1026823662.db2.gz YENNEQQRMROVIQ-ZWKOTPCHSA-N 1 0 340.577 4.213 20 30 EIEDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507637975 1026857672 /nfs/dbraw/zinc/85/76/72/1026857672.db2.gz RAVIAAPZRQQJDN-RYHLMMNBSA-N 1 0 334.463 4.317 20 30 EIEDRO CC(C)[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCCC1 ZINC000507645265 1026864012 /nfs/dbraw/zinc/86/40/12/1026864012.db2.gz QMJCDTYPIXAMML-ATKRNPRHSA-N 1 0 339.527 4.101 20 30 EIEDRO COc1ccc2cc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)ccc2c1 ZINC000519615358 1026868218 /nfs/dbraw/zinc/86/82/18/1026868218.db2.gz QQLRAQWMSHMSDX-JOCHJYFZSA-N 1 0 328.415 4.497 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)c2ccccc21)c1ccc(C#N)cc1 ZINC000375722368 1026873971 /nfs/dbraw/zinc/87/39/71/1026873971.db2.gz ZYPTWWGAPDMIQG-VQTJNVASSA-N 1 0 333.435 4.097 20 30 EIEDRO C=CCC[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000427540444 1026880697 /nfs/dbraw/zinc/88/06/97/1026880697.db2.gz MMZXRDMHGYXFEG-NRFANRHFSA-N 1 0 342.527 4.317 20 30 EIEDRO C[NH+](C)CCc1ccc(CNc2cccc(C(F)F)c2C#N)cc1 ZINC000563422721 1026884959 /nfs/dbraw/zinc/88/49/59/1026884959.db2.gz AUOYOGROPYKVRK-UHFFFAOYSA-N 1 0 329.394 4.212 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000116374470 1026926584 /nfs/dbraw/zinc/92/65/84/1026926584.db2.gz YDDFKYXTHFCRPL-UHFFFAOYSA-N 1 0 340.496 4.052 20 30 EIEDRO CCC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(F)cc1F ZINC000342767422 1026968279 /nfs/dbraw/zinc/96/82/79/1026968279.db2.gz BQNZDECPQCOZDO-GOSISDBHSA-N 1 0 340.377 4.115 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000519749037 1026975659 /nfs/dbraw/zinc/97/56/59/1026975659.db2.gz CWQVTQBTRHTBMV-PZJWPPBQSA-N 1 0 347.462 4.155 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000415579046 1026993145 /nfs/dbraw/zinc/99/31/45/1026993145.db2.gz JPJNXYAMXAWIJC-QXAKKESOSA-N 1 0 341.499 4.130 20 30 EIEDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000075586169 1027053098 /nfs/dbraw/zinc/05/30/98/1027053098.db2.gz OBYHEPXCOBKAAX-LJQANCHMSA-N 1 0 344.418 4.254 20 30 EIEDRO C=C(C)COc1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)ccc1OC ZINC000188244907 1027208800 /nfs/dbraw/zinc/20/88/00/1027208800.db2.gz IUERHDAJFUWWEW-IBGZPJMESA-N 1 0 345.483 4.041 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C)C1CC1 ZINC000151706025 1027308532 /nfs/dbraw/zinc/30/85/32/1027308532.db2.gz JUAFBODBYLRODK-UHFFFAOYSA-N 1 0 349.434 4.082 20 30 EIEDRO C[C@H]1CC(NCc2cc(C#N)cs2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168039296 1027313267 /nfs/dbraw/zinc/31/32/67/1027313267.db2.gz CURXZBNPGLHZKU-HOTGVXAUSA-N 1 0 339.508 4.151 20 30 EIEDRO Cc1cccc(C)c1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438492776 1027319971 /nfs/dbraw/zinc/31/99/71/1027319971.db2.gz KEWNPDKKPSVCJV-UHFFFAOYSA-N 1 0 335.451 4.050 20 30 EIEDRO N#Cc1cnc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c(Cl)c1 ZINC000520243420 1027345422 /nfs/dbraw/zinc/34/54/22/1027345422.db2.gz DFRRYHACHJWDQX-INIZCTEOSA-N 1 0 332.879 4.063 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC#Cc2ccccc2Cl)C1 ZINC000441265229 1027406559 /nfs/dbraw/zinc/40/65/59/1027406559.db2.gz RWQMTDWDTXOTMQ-SCTDSRPQSA-N 1 0 330.903 4.029 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000441330854 1027467401 /nfs/dbraw/zinc/46/74/01/1027467401.db2.gz MKUNJJDGEHQJFV-UHFFFAOYSA-N 1 0 331.891 4.360 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000277926885 1027471715 /nfs/dbraw/zinc/47/17/15/1027471715.db2.gz HRGLSQVUUKIEMB-DHZHZOJOSA-N 1 0 325.500 4.037 20 30 EIEDRO C=CCC[C@@H](O)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000441395881 1027515651 /nfs/dbraw/zinc/51/56/51/1027515651.db2.gz NVEOCAVWYMXECQ-OAHLLOKOSA-N 1 0 325.905 4.224 20 30 EIEDRO C=CCSCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000237764952 1027552849 /nfs/dbraw/zinc/55/28/49/1027552849.db2.gz NDILQHPVKJYVNE-UHFFFAOYSA-N 1 0 348.899 4.323 20 30 EIEDRO CC(C)c1nc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ccccn21 ZINC000575412373 1027568737 /nfs/dbraw/zinc/56/87/37/1027568737.db2.gz XOGUWKCSNZJVJP-LJQANCHMSA-N 1 0 344.462 4.497 20 30 EIEDRO O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1ccc2c[nH+]cn2c1 ZINC000329095631 1027589730 /nfs/dbraw/zinc/58/97/30/1027589730.db2.gz KXZSSHNYTGEJHT-SFHVURJKSA-N 1 0 349.438 4.028 20 30 EIEDRO N#Cc1ccccc1CNc1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC001167634711 1027590978 /nfs/dbraw/zinc/59/09/78/1027590978.db2.gz FOQCCWBNOLXNCE-UHFFFAOYSA-N 1 0 344.462 4.290 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)CC2 ZINC000582934123 1027718004 /nfs/dbraw/zinc/71/80/04/1027718004.db2.gz BSQLGSHVZXJTJR-AABGKKOBSA-N 1 0 338.838 4.319 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(C#N)cc1C(F)(F)F ZINC000523113685 1027751619 /nfs/dbraw/zinc/75/16/19/1027751619.db2.gz HSAKSTVDPWFLIW-CYBMUJFWSA-N 1 0 325.378 4.253 20 30 EIEDRO O=C(Nc1c[nH]nc1[C@@H]1CCC[N@H+](CC2CCC2)C1)c1ccccc1 ZINC000329374498 1027754207 /nfs/dbraw/zinc/75/42/07/1027754207.db2.gz KKQDYYPLJIKQBJ-QGZVFWFLSA-N 1 0 338.455 4.026 20 30 EIEDRO O=C(Nc1c[nH]nc1[C@H]1CCC[N@H+](CC2CCC2)C1)c1ccccc1 ZINC000329374497 1027754758 /nfs/dbraw/zinc/75/47/58/1027754758.db2.gz KKQDYYPLJIKQBJ-KRWDZBQOSA-N 1 0 338.455 4.026 20 30 EIEDRO Cc1noc(C)c1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329414324 1027768204 /nfs/dbraw/zinc/76/82/04/1027768204.db2.gz COJWKDQBVJKMMZ-OAHLLOKOSA-N 1 0 342.443 4.386 20 30 EIEDRO C=CCCC1(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000474903715 1027774609 /nfs/dbraw/zinc/77/46/09/1027774609.db2.gz AUZNUCXNSWXLLF-GOSISDBHSA-N 1 0 340.511 4.281 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCOc3ccccc32)c1 ZINC000108880632 1027783061 /nfs/dbraw/zinc/78/30/61/1027783061.db2.gz UZCQZXJGEQOLFE-SFHVURJKSA-N 1 0 336.435 4.025 20 30 EIEDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328710512 1027799781 /nfs/dbraw/zinc/79/97/81/1027799781.db2.gz RBEFGMPOMKVUJV-YQQAZPJKSA-N 1 0 343.471 4.032 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000328730736 1027808598 /nfs/dbraw/zinc/80/85/98/1027808598.db2.gz GFVBXQJRMDOLMH-UHFFFAOYSA-N 1 0 331.460 4.067 20 30 EIEDRO C[N@H+](CCNC(=O)c1ccc2c(c1)NC(=O)C2(C)C)C1CCCCC1 ZINC000328800490 1027814989 /nfs/dbraw/zinc/81/49/89/1027814989.db2.gz YLYWIDNJHXOAME-UHFFFAOYSA-N 1 0 343.471 4.135 20 30 EIEDRO CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328909370 1027833225 /nfs/dbraw/zinc/83/32/25/1027833225.db2.gz MRLHTCWEDKIMCK-APWZRJJASA-N 1 0 343.471 4.059 20 30 EIEDRO CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328909372 1027833902 /nfs/dbraw/zinc/83/39/02/1027833902.db2.gz MRLHTCWEDKIMCK-QFBILLFUSA-N 1 0 343.471 4.059 20 30 EIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C2CCC2)sc2c1CCC2 ZINC000328912995 1027835839 /nfs/dbraw/zinc/83/58/39/1027835839.db2.gz HUNIUGDLGPZFGO-MRXNPFEDSA-N 1 0 343.496 4.351 20 30 EIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c(C)noc2C(C)C)C1 ZINC000330668031 1027873553 /nfs/dbraw/zinc/87/35/53/1027873553.db2.gz BWYAQVNZHPBWPJ-HNNXBMFYSA-N 1 0 335.492 4.312 20 30 EIEDRO CC(C)(C#N)CCCCN1CCC[N@H+](CCCCC(C)(C)C#N)CC1 ZINC000444593625 1027880848 /nfs/dbraw/zinc/88/08/48/1027880848.db2.gz GIUJYBQCKKDLGE-UHFFFAOYSA-N 1 0 346.563 4.434 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000185796960 1027904142 /nfs/dbraw/zinc/90/41/42/1027904142.db2.gz XXUOXTREUMTCDS-KCQAQPDRSA-N 1 0 326.362 4.361 20 30 EIEDRO CC(C)[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccc2c(c1)OCCO2 ZINC000444686500 1027943381 /nfs/dbraw/zinc/94/33/81/1027943381.db2.gz CUBXNNSPSNWCFQ-LJQANCHMSA-N 1 0 330.472 4.465 20 30 EIEDRO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444663580 1027947479 /nfs/dbraw/zinc/94/74/79/1027947479.db2.gz YWFIABAQODHWGI-KRWDZBQOSA-N 1 0 331.479 4.224 20 30 EIEDRO CC[C@@H]1C[C@@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC(=O)N1 ZINC000329728055 1028084266 /nfs/dbraw/zinc/08/42/66/1028084266.db2.gz FLIVXCVJYTWPSM-MRLCAUJQSA-N 1 0 349.519 4.131 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000091588912 1028088386 /nfs/dbraw/zinc/08/83/86/1028088386.db2.gz VFCIHTQDEJEVCK-GOSISDBHSA-N 1 0 328.500 4.068 20 30 EIEDRO CC1CCC([N@@H+](Cc2cc(C#N)ccc2F)C[C@H]2CCCO2)CC1 ZINC000441463993 1028100746 /nfs/dbraw/zinc/10/07/46/1028100746.db2.gz HBAKPISZMJUSBA-XUJQIHCRSA-N 1 0 330.447 4.257 20 30 EIEDRO C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[C@]23CCOC3)CCCC1)c1ccccc1 ZINC000329751225 1028114291 /nfs/dbraw/zinc/11/42/91/1028114291.db2.gz VNWNBYIDGOUOBF-QRFRQXIXSA-N 1 0 342.483 4.033 20 30 EIEDRO O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)NCCC1=CCCCC1 ZINC000329829015 1028132897 /nfs/dbraw/zinc/13/28/97/1028132897.db2.gz SAOLJJBFDJXPJR-XUVXKRRUSA-N 1 0 348.531 4.239 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1 ZINC000473985178 1028145070 /nfs/dbraw/zinc/14/50/70/1028145070.db2.gz TVFSUFNOHPXQAB-INIZCTEOSA-N 1 0 346.261 4.234 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)ccc1OC ZINC000657737966 1028161015 /nfs/dbraw/zinc/16/10/15/1028161015.db2.gz OFJKGPQWQCVSTG-MRXNPFEDSA-N 1 0 325.399 4.031 20 30 EIEDRO Cn1cc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000475616703 1028175872 /nfs/dbraw/zinc/17/58/72/1028175872.db2.gz HDQRVBHBQRAUHY-IBGZPJMESA-N 1 0 336.483 4.217 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)CSc2ccc(C)cc2)ccc1C#N ZINC000440611690 1028201547 /nfs/dbraw/zinc/20/15/47/1028201547.db2.gz LFKXCSRROLHXIQ-OAHLLOKOSA-N 1 0 326.465 4.146 20 30 EIEDRO O=C(C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)NC1CCCCC1 ZINC000330269147 1028241744 /nfs/dbraw/zinc/24/17/44/1028241744.db2.gz RSMDNDYKIBMULZ-AEFFLSMTSA-N 1 0 336.863 4.049 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C)c2ncccc2c1 ZINC000346170791 1028305514 /nfs/dbraw/zinc/30/55/14/1028305514.db2.gz JYSAXZAJQFYCKA-UHFFFAOYSA-N 1 0 345.446 4.064 20 30 EIEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1CO)c1ccc(C#N)cc1Cl ZINC000375736715 1028320043 /nfs/dbraw/zinc/32/00/43/1028320043.db2.gz RCOVOCORGNLLPX-OWZDWXTDSA-N 1 0 340.854 4.158 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000155507069 1028444733 /nfs/dbraw/zinc/44/47/33/1028444733.db2.gz HLGJEGGKZCIBMD-FQEVSTJZSA-N 1 0 335.451 4.040 20 30 EIEDRO N#CC1(CCC[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)CCOCC1 ZINC000281245845 1028473328 /nfs/dbraw/zinc/47/33/28/1028473328.db2.gz GMOMCELANXJSMC-NHCUHLMSSA-N 1 0 340.511 4.478 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(F)cc1C(F)(F)F)CC2 ZINC000583351693 1028562932 /nfs/dbraw/zinc/56/29/32/1028562932.db2.gz LDTYCHCSCQFCBN-QGZVFWFLSA-N 1 0 334.316 4.493 20 30 EIEDRO C[C@@H](CCC1CCCCC1)[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000161688600 1028637251 /nfs/dbraw/zinc/63/72/51/1028637251.db2.gz DPGGOBALLIZPIO-KRWDZBQOSA-N 1 0 340.515 4.261 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000281530090 1028668247 /nfs/dbraw/zinc/66/82/47/1028668247.db2.gz YKROGLITXCKOAQ-GOSISDBHSA-N 1 0 326.440 4.114 20 30 EIEDRO Cc1ccc(C#N)c(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)n1 ZINC000346818752 1028683666 /nfs/dbraw/zinc/68/36/66/1028683666.db2.gz DKOZPJKXRJSKMH-GOSISDBHSA-N 1 0 340.858 4.164 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000524148141 1028711189 /nfs/dbraw/zinc/71/11/89/1028711189.db2.gz GKZMFWPYJQRSKS-UYAOXDASSA-N 1 0 343.515 4.210 20 30 EIEDRO CCN(CC(=O)c1cc(C)n(CC)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000444059233 1028773473 /nfs/dbraw/zinc/77/34/73/1028773473.db2.gz QAYDLZIQQIASPD-INIZCTEOSA-N 1 0 337.467 4.262 20 30 EIEDRO Cc1ccc(C#N)c(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000346843474 1028784823 /nfs/dbraw/zinc/78/48/23/1028784823.db2.gz XJAZQUXHUMKYOH-INIZCTEOSA-N 1 0 334.467 4.106 20 30 EIEDRO CC(C)(C#N)CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278280294 1028806155 /nfs/dbraw/zinc/80/61/55/1028806155.db2.gz KBIXAXKPGCIPST-UHFFFAOYSA-N 1 0 340.389 4.241 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)ccc1C#N ZINC000440821513 1028807518 /nfs/dbraw/zinc/80/75/18/1028807518.db2.gz JFRJUPREFFOYGL-UHFFFAOYSA-N 1 0 345.402 4.044 20 30 EIEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000281676422 1028832907 /nfs/dbraw/zinc/83/29/07/1028832907.db2.gz REDJXEFTERVIRQ-OLZOCXBDSA-N 1 0 328.378 4.367 20 30 EIEDRO CC[C@H](CC#N)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000156933054 1028868755 /nfs/dbraw/zinc/86/87/55/1028868755.db2.gz OVLKWLFYBQSAOT-QGZVFWFLSA-N 1 0 342.487 4.265 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)ccc1C#N ZINC000281805196 1028880216 /nfs/dbraw/zinc/88/02/16/1028880216.db2.gz VPXNIFBCPQPQER-INIZCTEOSA-N 1 0 335.451 4.018 20 30 EIEDRO C=C(C)[C@H](N[C@@H](C)c1cc2n(n1)CCCC2)c1ccc(F)c(F)c1 ZINC000647300268 1028902561 /nfs/dbraw/zinc/90/25/61/1028902561.db2.gz AJBKIJQKDWQKBJ-DJJJIMSYSA-N 1 0 331.410 4.466 20 30 EIEDRO N#CC1(CCC[NH+]2CCC(Cc3ccccc3)CC2)CCOCC1 ZINC000281901053 1028945432 /nfs/dbraw/zinc/94/54/32/1028945432.db2.gz FRCOQMXPOPLSMA-UHFFFAOYSA-N 1 0 326.484 4.042 20 30 EIEDRO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)[C@H]1c1cccc(F)c1 ZINC000281921463 1028962375 /nfs/dbraw/zinc/96/23/75/1028962375.db2.gz HGCXPCZUSNKRRF-VQIMIIECSA-N 1 0 330.447 4.309 20 30 EIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)[C@@H](C)c1cccc(OC)c1 ZINC000281934292 1028987648 /nfs/dbraw/zinc/98/76/48/1028987648.db2.gz IGYQUTVIWVUAKB-KRWDZBQOSA-N 1 0 330.472 4.179 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCOC2CCCCCC2)ccc1OC ZINC000522842368 1029012757 /nfs/dbraw/zinc/01/27/57/1029012757.db2.gz SHUXAWPFGSJCPD-UHFFFAOYSA-N 1 0 347.499 4.479 20 30 EIEDRO CC[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1ccc(C#N)cc1 ZINC000278377303 1029050074 /nfs/dbraw/zinc/05/00/74/1029050074.db2.gz CUKAVPCCCNDKDU-CYBMUJFWSA-N 1 0 339.386 4.317 20 30 EIEDRO C[NH+](C)[C@H](CNc1ccc(Br)cc1C#N)c1ccccc1 ZINC000522900744 1029077824 /nfs/dbraw/zinc/07/78/24/1029077824.db2.gz ZDWZPIZQIMPFSK-QGZVFWFLSA-N 1 0 344.256 4.036 20 30 EIEDRO Cc1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)ccc1F ZINC000524640253 1029124070 /nfs/dbraw/zinc/12/40/70/1029124070.db2.gz LJTOFUZCDUYTCP-UHFFFAOYSA-N 1 0 338.426 4.486 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000157719149 1029195550 /nfs/dbraw/zinc/19/55/50/1029195550.db2.gz JSKVPEBXVFYCPV-LSDHHAIUSA-N 1 0 338.442 4.447 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000157935390 1029272042 /nfs/dbraw/zinc/27/20/42/1029272042.db2.gz CVXQYILAJZKEFP-FNHZYXHNSA-N 1 0 335.875 4.426 20 30 EIEDRO Cc1ccnc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c1C#N ZINC000343502350 1029387965 /nfs/dbraw/zinc/38/79/65/1029387965.db2.gz CSAHITKNUVEKAL-QGZVFWFLSA-N 1 0 334.467 4.248 20 30 EIEDRO C=C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237469345 1029589722 /nfs/dbraw/zinc/58/97/22/1029589722.db2.gz WIHOIRJMLSNLAB-OAHLLOKOSA-N 1 0 348.406 4.112 20 30 EIEDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000193000782 1029656001 /nfs/dbraw/zinc/65/60/01/1029656001.db2.gz LPXYDEGWWWRWCW-GJZGRUSLSA-N 1 0 340.423 4.018 20 30 EIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)Cc1cc(F)cc(F)c1 ZINC000446976222 1029656313 /nfs/dbraw/zinc/65/63/13/1029656313.db2.gz VUMWEELLWSNRNX-UHFFFAOYSA-N 1 0 330.378 4.279 20 30 EIEDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1c1ccccc1 ZINC000129752370 1029657023 /nfs/dbraw/zinc/65/70/23/1029657023.db2.gz PPORAFBTIHICAP-PXNSSMCTSA-N 1 0 347.462 4.012 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000657850683 1029779563 /nfs/dbraw/zinc/77/95/63/1029779563.db2.gz KIAGACGJBFRKHZ-MISYRCLQSA-N 1 0 342.483 4.029 20 30 EIEDRO CCn1nccc1C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000278749737 1029801889 /nfs/dbraw/zinc/80/18/89/1029801889.db2.gz ATQKEIJDQZMQQG-UHFFFAOYSA-N 1 0 336.483 4.084 20 30 EIEDRO CCOc1ccccc1OCC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000441226060 1029930278 /nfs/dbraw/zinc/93/02/78/1029930278.db2.gz FYDAJLUNKRSQOY-QGZVFWFLSA-N 1 0 338.451 4.419 20 30 EIEDRO C=CCCC[C@@H](C(=O)N1CCC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC001625951350 1029954942 /nfs/dbraw/zinc/95/49/42/1029954942.db2.gz YHNAIENLWDIBHS-UYAOXDASSA-N 1 0 328.500 4.069 20 30 EIEDRO C=CCCC[C@H](C(=O)N1CCC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC001625951349 1029955093 /nfs/dbraw/zinc/95/50/93/1029955093.db2.gz YHNAIENLWDIBHS-QUCCMNQESA-N 1 0 328.500 4.069 20 30 EIEDRO C=CCCC[C@H](C(=O)N1CCC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC001625951348 1029957149 /nfs/dbraw/zinc/95/71/49/1029957149.db2.gz YHNAIENLWDIBHS-ICSRJNTNSA-N 1 0 328.500 4.069 20 30 EIEDRO CC(C)N1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000450848806 1030037098 /nfs/dbraw/zinc/03/70/98/1030037098.db2.gz VIAUYYSIZLBZEB-QZTJIDSGSA-N 1 0 349.881 4.286 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]3c3ccccc3)o2)c1 ZINC000525837829 1030056918 /nfs/dbraw/zinc/05/69/18/1030056918.db2.gz ZEIDZVVRXGNXCU-RTBURBONSA-N 1 0 344.418 4.034 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](C)c2ncc(C)s2)ccc1OC ZINC000184345220 1030070401 /nfs/dbraw/zinc/07/04/01/1030070401.db2.gz DIRDVNMORUKMRW-CQSZACIVSA-N 1 0 346.496 4.308 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184536452 1030074906 /nfs/dbraw/zinc/07/49/06/1030074906.db2.gz JXXPCYGDTFQWQB-AZUAARDMSA-N 1 0 332.463 4.344 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000450960604 1030137723 /nfs/dbraw/zinc/13/77/23/1030137723.db2.gz SAEVGBHMLINLBJ-KCZVDYSFSA-N 1 0 340.511 4.393 20 30 EIEDRO CC[C@H]([NH2+]Cc1cnn(Cc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000447540104 1030144603 /nfs/dbraw/zinc/14/46/03/1030144603.db2.gz ISVPJFGYLONBFB-NRFANRHFSA-N 1 0 330.435 4.044 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000447547462 1030151541 /nfs/dbraw/zinc/15/15/41/1030151541.db2.gz BWWJXTBYBYVGNQ-MRXNPFEDSA-N 1 0 346.377 4.409 20 30 EIEDRO N#CCSCCC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451015361 1030181136 /nfs/dbraw/zinc/18/11/36/1030181136.db2.gz JSCMOUMARNZSLC-HNNXBMFYSA-N 1 0 334.876 4.000 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccccc1)c1ccc(C#N)cc1 ZINC000447591571 1030195980 /nfs/dbraw/zinc/19/59/80/1030195980.db2.gz INJDLVJFYVOOHP-HXUWFJFHSA-N 1 0 330.435 4.200 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccc(C#N)cc1 ZINC000447600766 1030219064 /nfs/dbraw/zinc/21/90/64/1030219064.db2.gz NLGRJJIFRCFHKE-OAQYLSRUSA-N 1 0 330.435 4.293 20 30 EIEDRO Cc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(C)s1 ZINC000526083419 1030267538 /nfs/dbraw/zinc/26/75/38/1030267538.db2.gz XTFAYVYNBKAKPR-UHFFFAOYSA-N 1 0 341.480 4.111 20 30 EIEDRO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451148570 1030274596 /nfs/dbraw/zinc/27/45/96/1030274596.db2.gz QQHYYVLATTXBRA-SCRDCRAPSA-N 1 0 326.362 4.118 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000447694188 1030278390 /nfs/dbraw/zinc/27/83/90/1030278390.db2.gz PTRVBVPUGRYGIZ-LJQANCHMSA-N 1 0 348.494 4.294 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000526944618 1030338578 /nfs/dbraw/zinc/33/85/78/1030338578.db2.gz GOSJLLZUFKZPDM-CABCVRRESA-N 1 0 330.497 4.365 20 30 EIEDRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000127518623 1030379374 /nfs/dbraw/zinc/37/93/74/1030379374.db2.gz PMDWXVCEHIFLOB-ZIAGYGMSSA-N 1 0 341.842 4.198 20 30 EIEDRO Cc1cc(C)c(N2CC[C@H]([n+]3ccc4ccccc4c3)C2=O)c(C)c1 ZINC000188669724 1030414556 /nfs/dbraw/zinc/41/45/56/1030414556.db2.gz PZGJHJOWYOOVIM-FQEVSTJZSA-N 1 0 331.439 4.031 20 30 EIEDRO N#Cc1ccc(F)c(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1 ZINC000611938107 1030419691 /nfs/dbraw/zinc/41/96/91/1030419691.db2.gz JCOQYRRMVKOJTQ-NRFANRHFSA-N 1 0 337.442 4.014 20 30 EIEDRO O[C@@H](c1ccccc1)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000127348535 1030426310 /nfs/dbraw/zinc/42/63/10/1030426310.db2.gz DELBDNFOHQGXSG-NRFANRHFSA-N 1 0 339.866 4.137 20 30 EIEDRO CO[C@H]1CC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000451563155 1030578657 /nfs/dbraw/zinc/57/86/57/1030578657.db2.gz JSPZVXHFBZLSGV-KNQAVFIVSA-N 1 0 348.490 4.243 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000657929146 1030620147 /nfs/dbraw/zinc/62/01/47/1030620147.db2.gz CPSTULGZGOZJHZ-FBBABVLZSA-N 1 0 327.516 4.332 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000658027943 1030773625 /nfs/dbraw/zinc/77/36/25/1030773625.db2.gz ANQPWRMUQFTPQS-ZMYBRWDISA-N 1 0 341.451 4.241 20 30 EIEDRO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191146131 1030781795 /nfs/dbraw/zinc/78/17/95/1030781795.db2.gz FYUGTZRXKSOLQC-SFHVURJKSA-N 1 0 345.874 4.436 20 30 EIEDRO CCC(F)(F)C(C)(C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000527647305 1030801028 /nfs/dbraw/zinc/80/10/28/1030801028.db2.gz BNXLTKALMPFGJM-UHFFFAOYSA-N 1 0 335.442 4.188 20 30 EIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168180311 1030808493 /nfs/dbraw/zinc/80/84/93/1030808493.db2.gz QIZUTNMVSBHBHY-UXPWSPDFSA-N 1 0 349.902 4.097 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000610451549 1030815578 /nfs/dbraw/zinc/81/55/78/1030815578.db2.gz UOURPGWVSKMFKN-MOPGFXCFSA-N 1 0 333.479 4.216 20 30 EIEDRO COc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc(C(F)(F)F)c1 ZINC000527680720 1030823077 /nfs/dbraw/zinc/82/30/77/1030823077.db2.gz GMSMMYDMNZRTTK-UHFFFAOYSA-N 1 0 346.352 4.365 20 30 EIEDRO CC[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Oc1ccccc1F ZINC000176990511 1030832837 /nfs/dbraw/zinc/83/28/37/1030832837.db2.gz YAELZWBOTCEFBR-DOTOQJQBSA-N 1 0 342.414 4.064 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527791548 1030849258 /nfs/dbraw/zinc/84/92/58/1030849258.db2.gz OQCBCVNNYKHQAA-UHFFFAOYSA-N 1 0 343.215 4.289 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3ccccn3)C3CCC3)CC2)cc1 ZINC000527773948 1030851976 /nfs/dbraw/zinc/85/19/76/1030851976.db2.gz VPOGPHZMEUBKTJ-QFIPXVFZSA-N 1 0 346.478 4.053 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(F)cc3Cl)CCOCC2)cc1 ZINC000527808298 1030855018 /nfs/dbraw/zinc/85/50/18/1030855018.db2.gz GEUWWDUIOFEWAQ-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2cccc(COCc3ccco3)c2)c1 ZINC000531117822 1030897055 /nfs/dbraw/zinc/89/70/55/1030897055.db2.gz NBVAOCKVHYWWBG-UHFFFAOYSA-N 1 0 338.432 4.219 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)CCS2 ZINC000191511594 1030999372 /nfs/dbraw/zinc/99/93/72/1030999372.db2.gz XELSGCRVLHIZGY-KRWDZBQOSA-N 1 0 328.412 4.033 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCC1(C#N)CCCCC1 ZINC001168194005 1031032333 /nfs/dbraw/zinc/03/23/33/1031032333.db2.gz XFDJFFGAPFLYRB-UXHICEINSA-N 1 0 339.527 4.445 20 30 EIEDRO C=CC[N@H+](CCCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000531342948 1031120011 /nfs/dbraw/zinc/12/00/11/1031120011.db2.gz RXLFOMLYPBLUDA-UHFFFAOYSA-N 1 0 333.435 4.357 20 30 EIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)cc1 ZINC000237538379 1031129367 /nfs/dbraw/zinc/12/93/67/1031129367.db2.gz JNKSZJYSOFNJNP-CYBMUJFWSA-N 1 0 329.241 4.042 20 30 EIEDRO CCC[NH+](CCC)CCCC(=O)Nc1ccc(CC#N)cc1Cl ZINC000452646862 1031209338 /nfs/dbraw/zinc/20/93/38/1031209338.db2.gz PNMJRIAIYTWNOJ-UHFFFAOYSA-N 1 0 335.879 4.247 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)s1 ZINC000532505652 1031227943 /nfs/dbraw/zinc/22/79/43/1031227943.db2.gz OPQIJMOIWQOMQJ-HOCLYGCPSA-N 1 0 343.471 4.387 20 30 EIEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000532572064 1031305238 /nfs/dbraw/zinc/30/52/38/1031305238.db2.gz AWFYFOXEAJIJAF-AWEZNQCLSA-N 1 0 345.512 4.114 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000610132285 1031410674 /nfs/dbraw/zinc/41/06/74/1031410674.db2.gz LVAIPHHCBPVLBN-UHFFFAOYSA-N 1 0 346.430 4.231 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364915852 1031436673 /nfs/dbraw/zinc/43/66/73/1031436673.db2.gz MOVFZABTAJYCKB-UGSOOPFHSA-N 1 0 348.368 4.189 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000449097753 1031440058 /nfs/dbraw/zinc/44/00/58/1031440058.db2.gz MZYYMZUEYKIDAD-APWZRJJASA-N 1 0 330.472 4.029 20 30 EIEDRO Cc1c([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)cnn1-c1ccc(F)cc1 ZINC000449099530 1031441555 /nfs/dbraw/zinc/44/15/55/1031441555.db2.gz NYSZPZRTRMMMLV-JTOQLSFASA-N 1 0 340.446 4.443 20 30 EIEDRO C=CCC1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000449110395 1031446665 /nfs/dbraw/zinc/44/66/65/1031446665.db2.gz CSCBQTPVLCGIIK-UHFFFAOYSA-N 1 0 326.484 4.035 20 30 EIEDRO N#Cc1ccc(C2=CCN(Cc3cccnc3C(F)(F)F)CC2)cc1 ZINC000528433089 1031498549 /nfs/dbraw/zinc/49/85/49/1031498549.db2.gz XOCBDGSPSMHREG-UHFFFAOYSA-N 1 0 343.352 4.261 20 30 EIEDRO CN1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@H]1c1cccs1 ZINC000449161094 1031500119 /nfs/dbraw/zinc/50/01/19/1031500119.db2.gz NSKOCFKNOVMGHE-ZJZKXORJSA-N 1 0 331.529 4.193 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCc2ccccc2OC(F)(F)F)CC1 ZINC000449190160 1031510482 /nfs/dbraw/zinc/51/04/82/1031510482.db2.gz NHYPNFICAVGUKR-UHFFFAOYSA-N 1 0 326.362 4.190 20 30 EIEDRO C=CCC(F)(F)c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000453035117 1031526182 /nfs/dbraw/zinc/52/61/82/1031526182.db2.gz VXJYIZQGWRQEJF-UHFFFAOYSA-N 1 0 333.382 4.390 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1nc(-c2ccncc2)cs1 ZINC000449220327 1031553022 /nfs/dbraw/zinc/55/30/22/1031553022.db2.gz CRCOOAMOMMBVMN-UQHVZDHRSA-N 1 0 326.469 4.328 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000449228275 1031557635 /nfs/dbraw/zinc/55/76/35/1031557635.db2.gz SVEVMCKMPSTBJL-TXKKKEFDSA-N 1 0 335.854 4.120 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1-n1cccn1 ZINC000177304345 1031577159 /nfs/dbraw/zinc/57/71/59/1031577159.db2.gz BOSZPCZODQFYHT-DLBZAZTESA-N 1 0 346.434 4.186 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(OCC#N)cc1 ZINC000177304330 1031577879 /nfs/dbraw/zinc/57/78/79/1031577879.db2.gz BOSZPCZODQFYHT-SJORKVTESA-N 1 0 346.434 4.186 20 30 EIEDRO COc1ccccc1[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)OC(C)C ZINC000449247603 1031584185 /nfs/dbraw/zinc/58/41/85/1031584185.db2.gz GVXFTVQTOXJVTA-NQKNOSNGSA-N 1 0 330.472 4.223 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCc3c(F)cccc32)cc(OC)c1O ZINC000449348099 1031646595 /nfs/dbraw/zinc/64/65/95/1031646595.db2.gz FJWKUDNJHNLBNT-LJQANCHMSA-N 1 0 341.426 4.436 20 30 EIEDRO COc1ccc(C[N@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)cc1C#N ZINC000449365698 1031658532 /nfs/dbraw/zinc/65/85/32/1031658532.db2.gz USORCFGLJCTFHR-OUCADQQQSA-N 1 0 326.362 4.118 20 30 EIEDRO Cc1ccc(SC2(CNC(=[NH2+])Nc3ccccn3)CCCC2)cc1 ZINC000177380248 1031672353 /nfs/dbraw/zinc/67/23/53/1031672353.db2.gz PZNZRBCHUYFNNV-UHFFFAOYSA-N 1 0 340.496 4.222 20 30 EIEDRO CCCCOc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1OCC ZINC000449446754 1031740740 /nfs/dbraw/zinc/74/07/40/1031740740.db2.gz SQFFETUHZNRSNS-WMZOPIPTSA-N 1 0 330.472 4.436 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000449447253 1031742830 /nfs/dbraw/zinc/74/28/30/1031742830.db2.gz XPAJLQPDLXDWCK-WMZOPIPTSA-N 1 0 330.435 4.197 20 30 EIEDRO COC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(C(F)(F)F)c1 ZINC000453285568 1031804863 /nfs/dbraw/zinc/80/48/63/1031804863.db2.gz BNUHOYDGHQMKOL-VBNZEHGJSA-N 1 0 326.362 4.065 20 30 EIEDRO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000129711187 1031812295 /nfs/dbraw/zinc/81/22/95/1031812295.db2.gz GXXFBBLWBKJZKH-NUTQKKSESA-N 1 0 332.447 4.120 20 30 EIEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000453303505 1031827650 /nfs/dbraw/zinc/82/76/50/1031827650.db2.gz COIVJZUCLIVANW-OAHLLOKOSA-N 1 0 335.513 4.266 20 30 EIEDRO COc1ccc(C[NH2+]C23CCC(CC2)CC3)cc1OCCCC#N ZINC000449538924 1031831481 /nfs/dbraw/zinc/83/14/81/1031831481.db2.gz VGBGZVRSAGLABJ-UHFFFAOYSA-N 1 0 328.456 4.190 20 30 EIEDRO COC[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000453313071 1031837810 /nfs/dbraw/zinc/83/78/10/1031837810.db2.gz DENOVFWLMACYEZ-KDOFPFPSSA-N 1 0 328.843 4.292 20 30 EIEDRO Cc1ccccc1CCC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528778197 1031847831 /nfs/dbraw/zinc/84/78/31/1031847831.db2.gz GVXSYEOKIBXIOP-UHFFFAOYSA-N 1 0 334.463 4.095 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000453335383 1031859877 /nfs/dbraw/zinc/85/98/77/1031859877.db2.gz ACWHKTATWMKRHQ-GJZGRUSLSA-N 1 0 333.419 4.026 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](CC3CCC(F)(F)CC3)CC2)c1 ZINC000459343850 1031865572 /nfs/dbraw/zinc/86/55/72/1031865572.db2.gz TWBFROHZEMLOHA-UHFFFAOYSA-N 1 0 334.410 4.227 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000453355534 1031884006 /nfs/dbraw/zinc/88/40/06/1031884006.db2.gz LQGZCDHUQCJUMM-GLQYFDAESA-N 1 0 331.403 4.335 20 30 EIEDRO CN1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccccc21 ZINC000449655389 1031910054 /nfs/dbraw/zinc/91/00/54/1031910054.db2.gz YXNODVFNJJMXRK-NRFANRHFSA-N 1 0 349.478 4.430 20 30 EIEDRO COc1c(Cl)cccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000897479738 1031927901 /nfs/dbraw/zinc/92/79/01/1031927901.db2.gz HLKHPSNWKPTMCG-UHFFFAOYSA-N 1 0 326.827 4.194 20 30 EIEDRO C=CCC1(C[NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)CCCC1 ZINC000453391319 1031954953 /nfs/dbraw/zinc/95/49/53/1031954953.db2.gz YPUFCGKDVNGXAH-KRWDZBQOSA-N 1 0 328.500 4.152 20 30 EIEDRO COCC[N@H+](Cc1ccc(F)c(Cl)c1)CC(C)(C)CCC#N ZINC000449754503 1031984707 /nfs/dbraw/zinc/98/47/07/1031984707.db2.gz QYOXJMCVQAHQCX-UHFFFAOYSA-N 1 0 326.843 4.257 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1OCCCC#N ZINC000453603065 1032040667 /nfs/dbraw/zinc/04/06/67/1032040667.db2.gz HQLHIMNLHDOYDS-FQEVSTJZSA-N 1 0 328.456 4.046 20 30 EIEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000573413345 1033342341 /nfs/dbraw/zinc/34/23/41/1033342341.db2.gz VOQKNELQJCILPH-BBRMVZONSA-N 1 0 340.389 4.093 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611125 1033493291 /nfs/dbraw/zinc/49/32/91/1033493291.db2.gz HZPNTGKKPIJCDJ-APWZRJJASA-N 1 0 337.442 4.013 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512613556 1033496406 /nfs/dbraw/zinc/49/64/06/1033496406.db2.gz SIXMWOHCAGRIFC-JMERFSKESA-N 1 0 330.378 4.263 20 30 EIEDRO C[C@@H]([NH2+]CCc1nc(C(C)(C)C)cs1)c1ccc(C#N)cc1F ZINC000512620588 1033507470 /nfs/dbraw/zinc/50/74/70/1033507470.db2.gz RFSABJAKKVQEDI-GFCCVEGCSA-N 1 0 331.460 4.345 20 30 EIEDRO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000614159578 1033528680 /nfs/dbraw/zinc/52/86/80/1033528680.db2.gz GUUNWQATQYXCCQ-UHFFFAOYSA-N 1 0 336.435 4.239 20 30 EIEDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)cc1 ZINC000614162976 1033538945 /nfs/dbraw/zinc/53/89/45/1033538945.db2.gz LNYYVPSJHDDHFR-LJQANCHMSA-N 1 0 334.463 4.486 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000614165804 1033540703 /nfs/dbraw/zinc/54/07/03/1033540703.db2.gz QCFZPCRNYVRREF-LJQANCHMSA-N 1 0 326.827 4.175 20 30 EIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614174149 1033566625 /nfs/dbraw/zinc/56/66/25/1033566625.db2.gz IPANCAOAUXIAPR-UEXGIBASSA-N 1 0 339.527 4.325 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)[C@H](C)C(C)C ZINC000246540993 1033573413 /nfs/dbraw/zinc/57/34/13/1033573413.db2.gz CQFDBTJRMAKVTG-HZPDHXFCSA-N 1 0 347.528 4.386 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)cc1F ZINC000512634877 1033575073 /nfs/dbraw/zinc/57/50/73/1033575073.db2.gz FPURBVRTGDAAFD-BKOMCJNNSA-N 1 0 346.352 4.156 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000614178762 1033589340 /nfs/dbraw/zinc/58/93/40/1033589340.db2.gz CZBWCCHCBGYVPS-UHFFFAOYSA-N 1 0 337.423 4.421 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000614176964 1033595308 /nfs/dbraw/zinc/59/53/08/1033595308.db2.gz COGVFLCLAFUTSL-UHFFFAOYSA-N 1 0 340.417 4.440 20 30 EIEDRO COC(=O)c1sccc1CN[C@H](CCCC#N)c1ccccc1 ZINC000433012325 1033652370 /nfs/dbraw/zinc/65/23/70/1033652370.db2.gz JSHNQJDXAIZILV-MRXNPFEDSA-N 1 0 328.437 4.059 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666053 1033664143 /nfs/dbraw/zinc/66/41/43/1033664143.db2.gz IJBWLFVHDMZQSX-HRAATJIYSA-N 1 0 337.442 4.185 20 30 EIEDRO C[C@@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(C#N)cc1F ZINC000512668184 1033667045 /nfs/dbraw/zinc/66/70/45/1033667045.db2.gz TVDJUFYWZXDVMY-GFCCVEGCSA-N 1 0 325.362 4.211 20 30 EIEDRO Cc1ccc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c(F)c1 ZINC000433025880 1033687012 /nfs/dbraw/zinc/68/70/12/1033687012.db2.gz BNOPEWCTSIRLNC-GOSISDBHSA-N 1 0 339.414 4.097 20 30 EIEDRO Cc1ccccc1NC(=O)CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433026082 1033687482 /nfs/dbraw/zinc/68/74/82/1033687482.db2.gz CLIBOJFDCNLJSD-FQEVSTJZSA-N 1 0 335.451 4.348 20 30 EIEDRO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C)CCC#N ZINC000411152573 1033699197 /nfs/dbraw/zinc/69/91/97/1033699197.db2.gz GGCIGWIEJKSNFR-LBPRGKRZSA-N 1 0 342.270 4.336 20 30 EIEDRO Cc1cc(C)cc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433038327 1033703946 /nfs/dbraw/zinc/70/39/46/1033703946.db2.gz JFBYNYLXUMECKS-FQEVSTJZSA-N 1 0 335.451 4.267 20 30 EIEDRO CCOC(=O)c1ccc(-c2ccc(CN(CC)C[C@@H](C)C#N)o2)cc1 ZINC000614231873 1033855127 /nfs/dbraw/zinc/85/51/27/1033855127.db2.gz NUUQOFRRWMWYMT-HNNXBMFYSA-N 1 0 340.423 4.105 20 30 EIEDRO C[C@@H](c1nc2ccccc2s1)N(C)CCOc1cccc(C#N)c1 ZINC000051878270 1033900051 /nfs/dbraw/zinc/90/00/51/1033900051.db2.gz NJHDFIPZTOKIMV-AWEZNQCLSA-N 1 0 337.448 4.240 20 30 EIEDRO C=CCc1cc(C[NH2+]CC(C)(C)c2ccc(F)cc2)cc(OC)c1O ZINC000500889572 1033947556 /nfs/dbraw/zinc/94/75/56/1033947556.db2.gz CKTDKUMSFZZMLI-UHFFFAOYSA-N 1 0 343.442 4.336 20 30 EIEDRO Cc1ccc(NC(=O)[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2ccccc2)cc1 ZINC000419263156 1033985726 /nfs/dbraw/zinc/98/57/26/1033985726.db2.gz VBUISQNGPOQIPO-YYWHXJBOSA-N 1 0 347.462 4.347 20 30 EIEDRO CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1ccc(C#N)cc1 ZINC000500900572 1034004453 /nfs/dbraw/zinc/00/44/53/1034004453.db2.gz WZXGWCQAHCUXGC-JOCHJYFZSA-N 1 0 347.506 4.121 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 ZINC000433236250 1034086269 /nfs/dbraw/zinc/08/62/69/1034086269.db2.gz XZLYVNBRIGBJEX-HXUWFJFHSA-N 1 0 349.478 4.239 20 30 EIEDRO N#CC1(CCC[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)CCOCC1 ZINC000419295551 1034096227 /nfs/dbraw/zinc/09/62/27/1034096227.db2.gz CSSSBUIUEJICKC-SFHVURJKSA-N 1 0 348.437 4.072 20 30 EIEDRO CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000433304942 1034200891 /nfs/dbraw/zinc/20/08/91/1034200891.db2.gz OPQDQDCOAWEQOD-UTKZUKDTSA-N 1 0 349.478 4.161 20 30 EIEDRO CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000433304940 1034201688 /nfs/dbraw/zinc/20/16/88/1034201688.db2.gz OPQDQDCOAWEQOD-DYESRHJHSA-N 1 0 349.478 4.161 20 30 EIEDRO N#CCCCC[NH2+][C@H](c1ccc(Br)cc1F)C1CC1 ZINC000279966035 1034526200 /nfs/dbraw/zinc/52/62/00/1034526200.db2.gz CPCNTXQDUKIKAW-HNNXBMFYSA-N 1 0 325.225 4.323 20 30 EIEDRO Cc1csc(C2([NH2+]CCCOc3cccc(C#N)c3)CCCC2)n1 ZINC000129231167 1034546722 /nfs/dbraw/zinc/54/67/22/1034546722.db2.gz VZMDDBAJLIYFGB-UHFFFAOYSA-N 1 0 341.480 4.151 20 30 EIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ccc(C#N)cc4C)C3)nc2c1 ZINC000614403250 1034548595 /nfs/dbraw/zinc/54/85/95/1034548595.db2.gz MVNHNHRJZGMAMR-LJQANCHMSA-N 1 0 344.462 4.431 20 30 EIEDRO Cc1cc(C#N)ccc1CN1CCn2cccc2[C@H]1c1ccccc1 ZINC000614402890 1034551891 /nfs/dbraw/zinc/55/18/91/1034551891.db2.gz OQDOODODMCEYAV-JOCHJYFZSA-N 1 0 327.431 4.273 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)Cc2ccccc2C)cc1OC ZINC000513131303 1034617280 /nfs/dbraw/zinc/61/72/80/1034617280.db2.gz FHDOYGMIEGOEBC-QGZVFWFLSA-N 1 0 325.452 4.289 20 30 EIEDRO N#Cc1ccc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000513185179 1034832007 /nfs/dbraw/zinc/83/20/07/1034832007.db2.gz SGLVFPCYRXMKCF-LJQANCHMSA-N 1 0 325.843 4.461 20 30 EIEDRO CCC1CCC([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000513404003 1034920383 /nfs/dbraw/zinc/92/03/83/1034920383.db2.gz ZLKIQFMKMKYTKP-UHFFFAOYSA-N 1 0 333.863 4.051 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(Cl)c1 ZINC000182586317 1034970840 /nfs/dbraw/zinc/97/08/40/1034970840.db2.gz OQLQQSUBIHPVHY-GUYCJALGSA-N 1 0 341.842 4.280 20 30 EIEDRO C=CCc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccs1)C(C)C ZINC000513507942 1034992817 /nfs/dbraw/zinc/99/28/17/1034992817.db2.gz JNYHCJGRGHSFJA-SFHVURJKSA-N 1 0 345.508 4.127 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1)C(C)C ZINC000434032372 1035069379 /nfs/dbraw/zinc/06/93/79/1035069379.db2.gz RICZWWJTMJPCDX-IBGZPJMESA-N 1 0 341.499 4.071 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNc1ncc(C#N)cc1Cl)c1ccccc1 ZINC000513650730 1035079535 /nfs/dbraw/zinc/07/95/35/1035079535.db2.gz QRODEWRGSHBIHI-CYBMUJFWSA-N 1 0 328.847 4.148 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)o1)Oc1ccccc1C(F)(F)F ZINC000236987133 1035229956 /nfs/dbraw/zinc/22/99/56/1035229956.db2.gz DGVDTWRQIKLKNC-LBPRGKRZSA-N 1 0 338.329 4.117 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)o1)Cc1cccc(Br)c1 ZINC000236987094 1035230495 /nfs/dbraw/zinc/23/04/95/1035230495.db2.gz SDGGMDJZWUFEBO-CYBMUJFWSA-N 1 0 347.256 4.272 20 30 EIEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000280613080 1035307637 /nfs/dbraw/zinc/30/76/37/1035307637.db2.gz QNLILTFOYBZXCA-AWEZNQCLSA-N 1 0 337.423 4.086 20 30 EIEDRO C=C(CC(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001625924002 1035388476 /nfs/dbraw/zinc/38/84/76/1035388476.db2.gz AXMORBBZMIANGG-LJQANCHMSA-N 1 0 328.500 4.006 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Br)s1 ZINC000280764022 1035445112 /nfs/dbraw/zinc/44/51/12/1035445112.db2.gz ZACBLHKRGLWZLN-SUNKGSAMSA-N 1 0 330.291 4.142 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000280764024 1035445581 /nfs/dbraw/zinc/44/55/81/1035445581.db2.gz ZACBLHKRGLWZLN-WDMOLILDSA-N 1 0 330.291 4.142 20 30 EIEDRO N#CC1(C[NH+]2CCC(COc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000501542253 1035463011 /nfs/dbraw/zinc/46/30/11/1035463011.db2.gz PTPYGVRJEKNXLN-UHFFFAOYSA-N 1 0 339.266 4.388 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(F)cc3Cl)CCOCC2)c1 ZINC000594984666 1035511952 /nfs/dbraw/zinc/51/19/52/1035511952.db2.gz QBKSZJGNNAHPFO-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc4c(c3)CCCC4)CCOCC2)c1 ZINC000594981126 1035512191 /nfs/dbraw/zinc/51/21/91/1035512191.db2.gz VICVNZCWEKBQRW-UHFFFAOYSA-N 1 0 346.474 4.233 20 30 EIEDRO CC(C)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000594985032 1035514477 /nfs/dbraw/zinc/51/44/77/1035514477.db2.gz SPGSVZTZWZFEHJ-UHFFFAOYSA-N 1 0 334.463 4.477 20 30 EIEDRO COc1ccc(CNCC2(C#N)CCCCC2)cc1Br ZINC000594995384 1035527195 /nfs/dbraw/zinc/52/71/95/1035527195.db2.gz PFSCXJACQWCXFU-UHFFFAOYSA-N 1 0 337.261 4.021 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(C(F)F)nc1 ZINC000595007185 1035531435 /nfs/dbraw/zinc/53/14/35/1035531435.db2.gz KXHHIBVEIODURH-CYBMUJFWSA-N 1 0 347.434 4.475 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cncc(Br)c1)c1ccc(C#N)cc1 ZINC000595010543 1035537192 /nfs/dbraw/zinc/53/71/92/1035537192.db2.gz XZWGWZXCYKNGJZ-NEPJUHHUSA-N 1 0 330.229 4.128 20 30 EIEDRO C=CCCSCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000595061103 1035540411 /nfs/dbraw/zinc/54/04/11/1035540411.db2.gz YSKMKGIJXSBNHS-CYBMUJFWSA-N 1 0 333.526 4.473 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cncc(Br)c1)c1cccc(C#N)c1 ZINC000595025726 1035556220 /nfs/dbraw/zinc/55/62/20/1035556220.db2.gz LYKBCBOVXGDTAI-RYUDHWBXSA-N 1 0 330.229 4.128 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000595028646 1035558205 /nfs/dbraw/zinc/55/82/05/1035558205.db2.gz WGJCHSVSWYOJTL-UHFFFAOYSA-N 1 0 326.390 4.403 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595099159 1035583449 /nfs/dbraw/zinc/58/34/49/1035583449.db2.gz RUVGAAIVIXEXFN-HNNXBMFYSA-N 1 0 347.890 4.429 20 30 EIEDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1(C#N)CCCCC1)CC3 ZINC000595092128 1035599015 /nfs/dbraw/zinc/59/90/15/1035599015.db2.gz XLNDTULKNIOYOC-HNNXBMFYSA-N 1 0 337.467 4.097 20 30 EIEDRO N#CC1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000595091234 1035601190 /nfs/dbraw/zinc/60/11/90/1035601190.db2.gz OJTSLBRCHFYFGU-MZADTFQBSA-N 1 0 337.511 4.246 20 30 EIEDRO CC(C)[C@H](O)[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000595096893 1035606187 /nfs/dbraw/zinc/60/61/87/1035606187.db2.gz NRZXUQDTVVMOTL-VSKRKVRLSA-N 1 0 334.463 4.283 20 30 EIEDRO N#Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000574992817 1035651414 /nfs/dbraw/zinc/65/14/14/1035651414.db2.gz YQCYLILAOFFYIB-LJQANCHMSA-N 1 0 333.391 4.118 20 30 EIEDRO CC[N@H+](CCC1CCN([C@H](C#N)c2ccccc2)CC1)CC1CC1 ZINC000595409816 1035672149 /nfs/dbraw/zinc/67/21/49/1035672149.db2.gz IUQJSIHJQVGPAW-OAQYLSRUSA-N 1 0 325.500 4.085 20 30 EIEDRO C=CCCC[C@@H](C(=O)N1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000913386929 1035695120 /nfs/dbraw/zinc/69/51/20/1035695120.db2.gz KIKCXYWDAWDDGF-LJQANCHMSA-N 1 0 328.500 4.069 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000575131191 1035711049 /nfs/dbraw/zinc/71/10/49/1035711049.db2.gz XTBNMFFQPDAWRK-CYBMUJFWSA-N 1 0 348.899 4.149 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595612152 1035748864 /nfs/dbraw/zinc/74/88/64/1035748864.db2.gz SHISZLNKQOHQIF-HNNXBMFYSA-N 1 0 340.389 4.490 20 30 EIEDRO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCCC(C)(C)C#N)Cc2ccccc21 ZINC000595614305 1035752268 /nfs/dbraw/zinc/75/22/68/1035752268.db2.gz KIGPQOLIQCHTMR-SFHVURJKSA-N 1 0 342.483 4.257 20 30 EIEDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000595641220 1035757874 /nfs/dbraw/zinc/75/78/74/1035757874.db2.gz FTQHTOHZRCLXRK-CABCVRRESA-N 1 0 347.528 4.434 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595786946 1035793622 /nfs/dbraw/zinc/79/36/22/1035793622.db2.gz CZFSVEWGFVXQTJ-UYAOXDASSA-N 1 0 326.484 4.269 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CCC(F)CC1 ZINC000595819980 1035794032 /nfs/dbraw/zinc/79/40/32/1035794032.db2.gz RNUQLLVWLXBVIB-ZOODHJKOSA-N 1 0 326.362 4.166 20 30 EIEDRO C[C@]1(Cc2ccccc2C(F)(F)F)CCC[N@@H+]1CCOCCC#N ZINC000595864846 1035801275 /nfs/dbraw/zinc/80/12/75/1035801275.db2.gz DSFJQWOEVBCNAA-QGZVFWFLSA-N 1 0 340.389 4.033 20 30 EIEDRO COc1ccc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cc1C#N ZINC000595877021 1035806405 /nfs/dbraw/zinc/80/64/05/1035806405.db2.gz GSQKRFYEBNMSJM-UHFFFAOYSA-N 1 0 346.430 4.007 20 30 EIEDRO N#CCCC[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000596093142 1035821232 /nfs/dbraw/zinc/82/12/32/1035821232.db2.gz SNJPPPQIJNEYRG-ZDUSSCGKSA-N 1 0 325.275 4.269 20 30 EIEDRO Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000485331761 1035826471 /nfs/dbraw/zinc/82/64/71/1035826471.db2.gz OEIWRWWXQQEVLK-UTKZUKDTSA-N 1 0 347.462 4.021 20 30 EIEDRO C[C@@H]([NH2+]C(C)(C)CNc1nc2ncccc2cc1C#N)c1ccccc1 ZINC000596112879 1035829582 /nfs/dbraw/zinc/82/95/82/1035829582.db2.gz WGXVXLXKAKFQMU-OAHLLOKOSA-N 1 0 345.450 4.043 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000586789974 1035847147 /nfs/dbraw/zinc/84/71/47/1035847147.db2.gz VWSDDBVJFYYQMW-OAQYLSRUSA-N 1 0 334.467 4.053 20 30 EIEDRO CCc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000586794815 1035849814 /nfs/dbraw/zinc/84/98/14/1035849814.db2.gz MSRPCLNDDZPZDM-UHFFFAOYSA-N 1 0 337.442 4.336 20 30 EIEDRO C=CC[N@@H+](CCc1ccncc1)Cc1cc(Br)ccc1F ZINC000502194476 1035899474 /nfs/dbraw/zinc/89/94/74/1035899474.db2.gz JJOPDCQRGJMNAZ-UHFFFAOYSA-N 1 0 349.247 4.214 20 30 EIEDRO N#Cc1cccc(OCCC[NH2+][C@@H](CC(F)F)c2ccccc2)c1 ZINC000420998821 1035936379 /nfs/dbraw/zinc/93/63/79/1035936379.db2.gz UGIOMZTZHRPLPS-SFHVURJKSA-N 1 0 330.378 4.313 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccccc1Br)c1cccc(C#N)c1 ZINC000571113949 1035950233 /nfs/dbraw/zinc/95/02/33/1035950233.db2.gz BTUGPHDFQQWAQL-CYBMUJFWSA-N 1 0 329.241 4.214 20 30 EIEDRO N#CC1(c2ccc(CN(Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)CC1 ZINC000596979803 1036063551 /nfs/dbraw/zinc/06/35/51/1036063551.db2.gz PHHKIUPYHYTBMP-UHFFFAOYSA-N 1 0 347.418 4.315 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](c2ccccc2)O1 ZINC000597001475 1036064627 /nfs/dbraw/zinc/06/46/27/1036064627.db2.gz ULKGHIBLTKZQQB-UWJYYQICSA-N 1 0 332.447 4.204 20 30 EIEDRO N#CC1(c2ccc(C[NH+]3CCC(c4ccc(O)cc4)CC3)cc2)CC1 ZINC000596983194 1036064867 /nfs/dbraw/zinc/06/48/67/1036064867.db2.gz PUDJZXHOMJYHHL-UHFFFAOYSA-N 1 0 332.447 4.327 20 30 EIEDRO CN(c1ccccc1)C1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596996688 1036071775 /nfs/dbraw/zinc/07/17/75/1036071775.db2.gz ZZCLNKORUKJSEZ-UHFFFAOYSA-N 1 0 345.490 4.343 20 30 EIEDRO N#CC1(c2ccc(C[N@H+](CCc3ccccc3)[C@@H]3CCOC3)cc2)CC1 ZINC000597026567 1036075352 /nfs/dbraw/zinc/07/53/52/1036075352.db2.gz KNUWAWMCDSWQEW-JOCHJYFZSA-N 1 0 346.474 4.075 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OC(F)F)cc1 ZINC000060479421 1036138065 /nfs/dbraw/zinc/13/80/65/1036138065.db2.gz YZXKMTBJJLEMHD-UHFFFAOYSA-N 1 0 333.378 4.485 20 30 EIEDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597175113 1036143956 /nfs/dbraw/zinc/14/39/56/1036143956.db2.gz WRUNFIJJSONUBR-MRXNPFEDSA-N 1 0 342.874 4.268 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000597177013 1036144025 /nfs/dbraw/zinc/14/40/25/1036144025.db2.gz LOILAWAYCVLKEA-CYBMUJFWSA-N 1 0 348.372 4.221 20 30 EIEDRO C[C@@H](CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000597212442 1036155335 /nfs/dbraw/zinc/15/53/35/1036155335.db2.gz SIUVSCUHYILAPC-SFHVURJKSA-N 1 0 334.463 4.347 20 30 EIEDRO CC[C@H](C[NH2+]C1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 ZINC000597212505 1036157005 /nfs/dbraw/zinc/15/70/05/1036157005.db2.gz UZCNIMIVJQSRAZ-LJQANCHMSA-N 1 0 334.463 4.347 20 30 EIEDRO COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000502433684 1036222705 /nfs/dbraw/zinc/22/27/05/1036222705.db2.gz WIGATDJZHUXQDO-ACAXCVFMSA-N 1 0 342.483 4.043 20 30 EIEDRO N#CC1CC[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421318761 1036281876 /nfs/dbraw/zinc/28/18/76/1036281876.db2.gz HWDJSFQYULDIIM-UHFFFAOYSA-N 1 0 334.467 4.401 20 30 EIEDRO C=CCC1([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCOCC1 ZINC000668552651 1036284142 /nfs/dbraw/zinc/28/41/42/1036284142.db2.gz QEQYWPCOJQSKJA-UHFFFAOYSA-N 1 0 348.918 4.019 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000588214956 1036302704 /nfs/dbraw/zinc/30/27/04/1036302704.db2.gz KCRWVWZIRGDRTP-IBGZPJMESA-N 1 0 342.870 4.354 20 30 EIEDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000502546207 1036323319 /nfs/dbraw/zinc/32/33/19/1036323319.db2.gz ZWUNKBQUQNZXKZ-HXUWFJFHSA-N 1 0 339.414 4.013 20 30 EIEDRO C[C@@H](C1CC1)[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000164733347 1036334301 /nfs/dbraw/zinc/33/43/01/1036334301.db2.gz FIJCNZYFYXLWOI-KRWDZBQOSA-N 1 0 347.462 4.188 20 30 EIEDRO CC1CC[NH+]([C@@H](CNC(=O)CCCCCC#N)c2ccccc2)CC1 ZINC000588304009 1036346951 /nfs/dbraw/zinc/34/69/51/1036346951.db2.gz KXYGEFLDGZMHOW-FQEVSTJZSA-N 1 0 341.499 4.050 20 30 EIEDRO CCc1cc(N2CCO[C@@H](c3cccc(C#N)c3)C2)c2ccccc2[nH+]1 ZINC000761246111 1036387968 /nfs/dbraw/zinc/38/79/68/1036387968.db2.gz QPUDVCSQVVEEII-JOCHJYFZSA-N 1 0 343.430 4.247 20 30 EIEDRO COc1cc(C[N@H+](C[C@@H](C)CCC#N)C2CC2)ccc1OC(F)F ZINC000602437018 1036447363 /nfs/dbraw/zinc/44/73/63/1036447363.db2.gz QBZXYOLJQDDSEH-ZDUSSCGKSA-N 1 0 338.398 4.201 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000602480749 1036462491 /nfs/dbraw/zinc/46/24/91/1036462491.db2.gz XWNUIVBWYRVUFO-NEPJUHHUSA-N 1 0 331.407 4.281 20 30 EIEDRO COc1cccc(Oc2ccc(C[NH2+]C3CCC(C#N)CC3)cn2)c1 ZINC000602521928 1036477539 /nfs/dbraw/zinc/47/75/39/1036477539.db2.gz TUXBXKFNUBLAMI-UHFFFAOYSA-N 1 0 337.423 4.054 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000602508193 1036482182 /nfs/dbraw/zinc/48/21/82/1036482182.db2.gz ADHVVTMFKYFYPW-NNYUYHANSA-N 1 0 330.316 4.425 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1c(Cl)cccc1Cl ZINC000602523624 1036492889 /nfs/dbraw/zinc/49/28/89/1036492889.db2.gz DDMQTDOXSIRFGP-LBPRGKRZSA-N 1 0 327.255 4.182 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC(Nc3nccc4sccc43)CC2)c1 ZINC000593515615 1036498505 /nfs/dbraw/zinc/49/85/05/1036498505.db2.gz OLLXIWLRIXECLR-UHFFFAOYSA-N 1 0 348.475 4.244 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(Cc2ccccc2)CCC1 ZINC000602567915 1036498896 /nfs/dbraw/zinc/49/88/96/1036498896.db2.gz HBFUQRDQOABTHF-SFHVURJKSA-N 1 0 326.484 4.088 20 30 EIEDRO CC(C)N1CC[C@@H]([NH2+]C[C@H](C)CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000602593528 1036502425 /nfs/dbraw/zinc/50/24/25/1036502425.db2.gz ZMLSZEQSZSUTGJ-ZMYBRWDISA-N 1 0 335.442 4.018 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000602595570 1036502724 /nfs/dbraw/zinc/50/27/24/1036502724.db2.gz YYJBODQOUMUWAX-KRWDZBQOSA-N 1 0 342.483 4.197 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)Cc1ccc(F)c(Br)c1 ZINC000602574726 1036507638 /nfs/dbraw/zinc/50/76/38/1036507638.db2.gz YTTZDSZKBKULEM-VXGBXAGGSA-N 1 0 327.241 4.049 20 30 EIEDRO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602579666 1036510989 /nfs/dbraw/zinc/51/09/89/1036510989.db2.gz ABAOCYSMISAGKU-XEZPLFJOSA-N 1 0 339.277 4.055 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000602601313 1036511184 /nfs/dbraw/zinc/51/11/84/1036511184.db2.gz KLGRERDYIWSJRR-JXFKEZNVSA-N 1 0 342.458 4.450 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000602601366 1036512606 /nfs/dbraw/zinc/51/26/06/1036512606.db2.gz KUAYPRBRTPBIGG-OLZOCXBDSA-N 1 0 326.271 4.102 20 30 EIEDRO Cc1cc(C(F)(F)F)ccc1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602628234 1036545179 /nfs/dbraw/zinc/54/51/79/1036545179.db2.gz VVFSRZFUHQAVGO-AWEZNQCLSA-N 1 0 340.389 4.202 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000602637644 1036547981 /nfs/dbraw/zinc/54/79/81/1036547981.db2.gz NOPCTYSJXFIZQT-AWEZNQCLSA-N 1 0 340.389 4.241 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000602637645 1036550463 /nfs/dbraw/zinc/55/04/63/1036550463.db2.gz NOPCTYSJXFIZQT-CQSZACIVSA-N 1 0 340.389 4.241 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000602661671 1036559100 /nfs/dbraw/zinc/55/91/00/1036559100.db2.gz HTKRBLKUBRLHBA-RRFJBIMHSA-N 1 0 332.410 4.044 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000602680913 1036567619 /nfs/dbraw/zinc/56/76/19/1036567619.db2.gz HKHSZNCWHAZCGG-YGRLFVJLSA-N 1 0 325.225 4.105 20 30 EIEDRO N#CC1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000602683734 1036571592 /nfs/dbraw/zinc/57/15/92/1036571592.db2.gz RWZLVQTZEXUVSW-NWHVRFAMSA-N 1 0 337.236 4.247 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000602705702 1036576482 /nfs/dbraw/zinc/57/64/82/1036576482.db2.gz ONMUILXIVGXSAT-BFHKSVSOSA-N 1 0 334.504 4.051 20 30 EIEDRO N#CC1CCC([NH2+]CCc2c3ccccc3[nH]c2C(F)(F)F)CC1 ZINC000602732195 1036599837 /nfs/dbraw/zinc/59/98/37/1036599837.db2.gz PZFNOXMSZLZDRY-UHFFFAOYSA-N 1 0 335.373 4.401 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C2(Cc3ccccc3)CCC2)cc1 ZINC000760717743 1036623293 /nfs/dbraw/zinc/62/32/93/1036623293.db2.gz LTMKUCDBBHHCJN-UHFFFAOYSA-N 1 0 333.479 4.291 20 30 EIEDRO Cc1ccc(C#N)nc1NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000589107496 1036668566 /nfs/dbraw/zinc/66/85/66/1036668566.db2.gz CKPZFWYRYGUTBE-KRWDZBQOSA-N 1 0 334.467 4.248 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000602902806 1036670514 /nfs/dbraw/zinc/67/05/14/1036670514.db2.gz DRESOGKSFJHATC-UHFFFAOYSA-N 1 0 337.442 4.401 20 30 EIEDRO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602979156 1036688776 /nfs/dbraw/zinc/68/87/76/1036688776.db2.gz ANAPWIYPMYIMHP-NQIIRXRSSA-N 1 0 347.462 4.306 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C4CCC4)CC3)o2)cc1 ZINC000602999248 1036696212 /nfs/dbraw/zinc/69/62/12/1036696212.db2.gz BCVFJSIDGMZOTO-QGZVFWFLSA-N 1 0 336.439 4.010 20 30 EIEDRO CC(C)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000598602482 1036702589 /nfs/dbraw/zinc/70/25/89/1036702589.db2.gz SPUWFLFYJJGOFG-CVEARBPZSA-N 1 0 342.405 4.293 20 30 EIEDRO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586617 1036704970 /nfs/dbraw/zinc/70/49/70/1036704970.db2.gz JESUHADQQXTBIC-AAEUAGOBSA-N 1 0 329.271 4.287 20 30 EIEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598602294 1036705559 /nfs/dbraw/zinc/70/55/59/1036705559.db2.gz MXMFKGLOJZSGFT-WMZOPIPTSA-N 1 0 332.488 4.063 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000598603483 1036705735 /nfs/dbraw/zinc/70/57/35/1036705735.db2.gz UKYOQROTZBMIIY-RTWAWAEBSA-N 1 0 336.479 4.251 20 30 EIEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000598602487 1036706732 /nfs/dbraw/zinc/70/67/32/1036706732.db2.gz SPUWFLFYJJGOFG-JKSUJKDBSA-N 1 0 342.405 4.293 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000598598033 1036712788 /nfs/dbraw/zinc/71/27/88/1036712788.db2.gz MOOYIQMXUYGCEC-OAQYLSRUSA-N 1 0 349.478 4.014 20 30 EIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598613403 1036713885 /nfs/dbraw/zinc/71/38/85/1036713885.db2.gz XDFSMXYKOISBBK-CZUORRHYSA-N 1 0 343.496 4.070 20 30 EIEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598613771 1036715198 /nfs/dbraw/zinc/71/51/98/1036715198.db2.gz XMBHMLSMNSJTBM-QZTJIDSGSA-N 1 0 342.508 4.231 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000598617643 1036715765 /nfs/dbraw/zinc/71/57/65/1036715765.db2.gz KRHOKKCTPSNIQH-OAQYLSRUSA-N 1 0 334.463 4.012 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000593587797 1036725059 /nfs/dbraw/zinc/72/50/59/1036725059.db2.gz YEBKNQNAMNRKEX-HZPDHXFCSA-N 1 0 330.472 4.357 20 30 EIEDRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]Cc2ccnc(C#N)c2)cc1 ZINC000589291179 1036733927 /nfs/dbraw/zinc/73/39/27/1036733927.db2.gz SMJZWDUPRAZOON-JOCHJYFZSA-N 1 0 343.430 4.035 20 30 EIEDRO CCCc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)s1 ZINC000598672207 1036748124 /nfs/dbraw/zinc/74/81/24/1036748124.db2.gz MXOZMFSSJHHSFE-UHFFFAOYSA-N 1 0 325.481 4.153 20 30 EIEDRO Cc1cccc(C([NH2+]C[C@@H](O)CC(C)(C)C#N)c2cccc(C)c2)c1 ZINC000598726265 1036761586 /nfs/dbraw/zinc/76/15/86/1036761586.db2.gz RNDVDSOHTYNCBV-FQEVSTJZSA-N 1 0 336.479 4.283 20 30 EIEDRO CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000593602967 1036762852 /nfs/dbraw/zinc/76/28/52/1036762852.db2.gz RCICDAGDHKBOCR-HZPDHXFCSA-N 1 0 330.472 4.357 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000170686268 1036775795 /nfs/dbraw/zinc/77/57/95/1036775795.db2.gz BVBVSYYCONTYGM-ZDUSSCGKSA-N 1 0 334.341 4.459 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000589506746 1036800161 /nfs/dbraw/zinc/80/01/61/1036800161.db2.gz RVSQFJZWHRVEIX-LBPRGKRZSA-N 1 0 329.325 4.300 20 30 EIEDRO C[C@@H]([NH2+]CCCn1ccc2ccccc21)c1ccc(OCC#N)cc1 ZINC000192951743 1036804223 /nfs/dbraw/zinc/80/42/23/1036804223.db2.gz WYYTZPXEZNULES-QGZVFWFLSA-N 1 0 333.435 4.285 20 30 EIEDRO CCC[N@H+](Cc1ccc(CC#N)cc1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502945171 1036831439 /nfs/dbraw/zinc/83/14/39/1036831439.db2.gz WFPMNIIBICFXAI-GOSISDBHSA-N 1 0 349.478 4.382 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCc4ccc(Cl)cc43)n2c1 ZINC000599022914 1036850141 /nfs/dbraw/zinc/85/01/41/1036850141.db2.gz ONNCFGOPPFNRCT-GOSISDBHSA-N 1 0 336.826 4.027 20 30 EIEDRO CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000486783708 1036852370 /nfs/dbraw/zinc/85/23/70/1036852370.db2.gz ZZHAEWNZAAAROV-INIZCTEOSA-N 1 0 333.863 4.051 20 30 EIEDRO N#Cc1csc(C[NH2+][C@@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599017049 1036852788 /nfs/dbraw/zinc/85/27/88/1036852788.db2.gz WLIPHNDSHXVCSK-HNNXBMFYSA-N 1 0 341.263 4.140 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000280766075 1036854173 /nfs/dbraw/zinc/85/41/73/1036854173.db2.gz OOICSCJCSBIYIS-CQSZACIVSA-N 1 0 348.796 4.312 20 30 EIEDRO CC(C)[NH+](CCNC(=O)c1ccccc1-c1ccccc1C#N)C(C)C ZINC000027458934 1036861436 /nfs/dbraw/zinc/86/14/36/1036861436.db2.gz SQCIJOBYETYMFI-UHFFFAOYSA-N 1 0 349.478 4.074 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H]3C[C@H]3c3ccccc3)C2)c(F)c1 ZINC000503042767 1036883685 /nfs/dbraw/zinc/88/36/85/1036883685.db2.gz IPQZMOJUZHWNLM-UFYCRDLUSA-N 1 0 349.453 4.059 20 30 EIEDRO C[N@@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000589984377 1036924078 /nfs/dbraw/zinc/92/40/78/1036924078.db2.gz QYBQLLIHLZXNOZ-RXVVDRJESA-N 1 0 338.426 4.297 20 30 EIEDRO Cc1cccc([C@@H](C)[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)c1C ZINC000593720622 1036933391 /nfs/dbraw/zinc/93/33/91/1036933391.db2.gz IMBXIOIOYJBWJY-LJQANCHMSA-N 1 0 347.506 4.490 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cccnc1 ZINC000593722796 1036936774 /nfs/dbraw/zinc/93/67/74/1036936774.db2.gz RARMVWBAQYPDNX-QFIPXVFZSA-N 1 0 348.494 4.049 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000603681096 1036944898 /nfs/dbraw/zinc/94/48/98/1036944898.db2.gz JAJLWICJRPSQHA-UHFFFAOYSA-N 1 0 342.826 4.353 20 30 EIEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](CCCc2ccccc2)c2ccccc2)CC1 ZINC000599316879 1036949321 /nfs/dbraw/zinc/94/93/21/1036949321.db2.gz GETMKJIPSLFLCA-FGZHOGPDSA-N 1 0 348.490 4.395 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000599355279 1036968952 /nfs/dbraw/zinc/96/89/52/1036968952.db2.gz XQMQMOSESXRWHO-QRWLVFNGSA-N 1 0 338.426 4.198 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1ccncc1Br)c1ccccc1 ZINC000599426534 1036999854 /nfs/dbraw/zinc/99/98/54/1036999854.db2.gz HXRWZSSFETYTSV-KRWDZBQOSA-N 1 0 344.256 4.369 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(N2CCCC2)c1 ZINC000271757347 1037006403 /nfs/dbraw/zinc/00/64/03/1037006403.db2.gz DSSWDGXXUVPLNH-QGZVFWFLSA-N 1 0 335.451 4.040 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000599414933 1037006800 /nfs/dbraw/zinc/00/68/00/1037006800.db2.gz KODCFWRNCBCXSO-SFHVURJKSA-N 1 0 349.261 4.387 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000590190281 1037008884 /nfs/dbraw/zinc/00/88/84/1037008884.db2.gz QWAOOVNTZZWMPN-OAHLLOKOSA-N 1 0 334.398 4.042 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C1 ZINC000590254418 1037020959 /nfs/dbraw/zinc/02/09/59/1037020959.db2.gz VNLGGPIDAUANGG-QSFXBCCZSA-N 1 0 340.467 4.037 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000590254360 1037021904 /nfs/dbraw/zinc/02/19/04/1037021904.db2.gz KZVANBXESWNAAP-UXHICEINSA-N 1 0 334.419 4.073 20 30 EIEDRO COc1ccc(CC[NH2+][C@H](C)c2cccc(C#N)c2)c(Cl)c1OC ZINC000590258905 1037024124 /nfs/dbraw/zinc/02/41/24/1037024124.db2.gz IDAYNVXBZKUJRK-CYBMUJFWSA-N 1 0 344.842 4.122 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2ccccc21 ZINC000603894742 1037080738 /nfs/dbraw/zinc/08/07/38/1037080738.db2.gz AVWCUPCERJVUQT-UHFFFAOYSA-N 1 0 330.431 4.360 20 30 EIEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000272071118 1037093159 /nfs/dbraw/zinc/09/31/59/1037093159.db2.gz ZDXNGDOMHSKNLE-UHFFFAOYSA-N 1 0 347.528 4.005 20 30 EIEDRO N#CCCOCC[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000599674019 1037114790 /nfs/dbraw/zinc/11/47/90/1037114790.db2.gz YLEONIXCTXQTCV-UHFFFAOYSA-N 1 0 339.464 4.162 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)cc1Cl ZINC000590653535 1037132708 /nfs/dbraw/zinc/13/27/08/1037132708.db2.gz DSCKZJMQLXRAKS-UHFFFAOYSA-N 1 0 342.826 4.053 20 30 EIEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000604493449 1037407267 /nfs/dbraw/zinc/40/72/67/1037407267.db2.gz ZFWZDMZNNNXRSU-KRWDZBQOSA-N 1 0 341.480 4.422 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)cc1Cl ZINC000604768424 1037510632 /nfs/dbraw/zinc/51/06/32/1037510632.db2.gz QNZHNQYKBXTQEF-BEFAXECRSA-N 1 0 345.870 4.159 20 30 EIEDRO C=CCC[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000488331198 1037521316 /nfs/dbraw/zinc/52/13/16/1037521316.db2.gz QWHOAYZCALWOAG-OAQYLSRUSA-N 1 0 336.479 4.479 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)cc1 ZINC000591709900 1037557979 /nfs/dbraw/zinc/55/79/79/1037557979.db2.gz ZPLGACUGBHBQMW-GHTZIAJQSA-N 1 0 336.479 4.177 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000591856339 1037640564 /nfs/dbraw/zinc/64/05/64/1037640564.db2.gz XLUBXZHQQUXIEK-HXUWFJFHSA-N 1 0 338.495 4.269 20 30 EIEDRO CCOc1ccccc1[C@@H](CC)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573689013 1037685860 /nfs/dbraw/zinc/68/58/60/1037685860.db2.gz ZKWXNMMUBOJGHR-QGZVFWFLSA-N 1 0 339.395 4.106 20 30 EIEDRO CSc1ccc([C@H](CNc2ccc(F)cc2C#N)[NH+](C)C)cc1 ZINC000570228567 1037733886 /nfs/dbraw/zinc/73/38/86/1037733886.db2.gz PTRZTHHCTRBFII-SFHVURJKSA-N 1 0 329.444 4.134 20 30 EIEDRO CC(C)(C#N)CCCC[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139789 1037740501 /nfs/dbraw/zinc/74/05/01/1037740501.db2.gz XTEDJSZWNPZTEW-FQEVSTJZSA-N 1 0 328.500 4.370 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000592165705 1037747545 /nfs/dbraw/zinc/74/75/45/1037747545.db2.gz DVWVJANKHQMGNY-VQTJNVASSA-N 1 0 328.500 4.165 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCOC2CCCCCC2)cc1OC ZINC000605322920 1037749738 /nfs/dbraw/zinc/74/97/38/1037749738.db2.gz RVYIMTGTORLJTF-UHFFFAOYSA-N 1 0 333.472 4.089 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1c(C)cccc1CC)C(C)C ZINC000503440159 1037762041 /nfs/dbraw/zinc/76/20/41/1037762041.db2.gz UFKIVBGKTYDBPQ-IBGZPJMESA-N 1 0 343.515 4.378 20 30 EIEDRO CCCCCCC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000157662783 1037806311 /nfs/dbraw/zinc/80/63/11/1037806311.db2.gz KXXFYBTWXJYMEG-UHFFFAOYSA-N 1 0 336.545 4.089 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+]C3(c4cccc(Cl)c4)CCC3)n2c1 ZINC000592529412 1037826156 /nfs/dbraw/zinc/82/61/56/1037826156.db2.gz YQJPPMIXIZDHAA-UHFFFAOYSA-N 1 0 336.826 4.028 20 30 EIEDRO C=CCCC[N@@H+](C)CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1 ZINC000605738765 1037858741 /nfs/dbraw/zinc/85/87/41/1037858741.db2.gz PTYPCGKOBSCPCB-FQEVSTJZSA-N 1 0 342.508 4.160 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1OC ZINC000605827155 1037862812 /nfs/dbraw/zinc/86/28/12/1037862812.db2.gz ANTCXOFATRAHAC-HXUWFJFHSA-N 1 0 337.463 4.371 20 30 EIEDRO Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000592368421 1037901426 /nfs/dbraw/zinc/90/14/26/1037901426.db2.gz JHINNWIAEKTEKC-IBGZPJMESA-N 1 0 346.434 4.027 20 30 EIEDRO COc1ccc(Cl)c2c1CCC[C@@H]2[N@H+](C)CCCSCC#N ZINC000593106103 1037966024 /nfs/dbraw/zinc/96/60/24/1037966024.db2.gz XKKLCQSRBMQFRU-HNNXBMFYSA-N 1 0 338.904 4.305 20 30 EIEDRO C=CCN(CC=C)C(=O)C[N@@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000607158823 1037975507 /nfs/dbraw/zinc/97/55/07/1037975507.db2.gz FWXHSBGKAIOZGX-GOSISDBHSA-N 1 0 326.484 4.050 20 30 EIEDRO N#CC1(CCC[N@H+]2CCCC[C@@H]2Cc2ccccc2F)CCOCC1 ZINC000593079236 1037976436 /nfs/dbraw/zinc/97/64/36/1037976436.db2.gz BQLFMZBAUFZIEJ-LJQANCHMSA-N 1 0 344.474 4.323 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000593669246 1038126152 /nfs/dbraw/zinc/12/61/52/1038126152.db2.gz ZRPHXMPHBZSLLF-ORFBVSJDSA-N 1 0 338.495 4.185 20 30 EIEDRO CCc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000593689299 1038146285 /nfs/dbraw/zinc/14/62/85/1038146285.db2.gz ZHKRUNHUWSLSPW-UHFFFAOYSA-N 1 0 344.462 4.316 20 30 EIEDRO C=CC[N@@H+](CCOc1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000063300398 1038198710 /nfs/dbraw/zinc/19/87/10/1038198710.db2.gz MJWHFWSZWQGENR-UHFFFAOYSA-N 1 0 336.435 4.024 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000606706550 1038218202 /nfs/dbraw/zinc/21/82/02/1038218202.db2.gz LJFSBDCUCIQSIS-UHFFFAOYSA-N 1 0 343.515 4.040 20 30 EIEDRO CC(C)OC(=O)c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594033301 1038233361 /nfs/dbraw/zinc/23/33/61/1038233361.db2.gz MRQJIFOKNJBVIM-UHFFFAOYSA-N 1 0 348.446 4.292 20 30 EIEDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000172671988 1038249624 /nfs/dbraw/zinc/24/96/24/1038249624.db2.gz IHDDZZFRWJZIMI-HNNXBMFYSA-N 1 0 325.431 4.394 20 30 EIEDRO CCc1ccccc1[C@H](N)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423510938 1038267345 /nfs/dbraw/zinc/26/73/45/1038267345.db2.gz SXRVPCQTJRLTFO-GTMAMOSYSA-N 1 0 347.506 4.243 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000172688618 1038268778 /nfs/dbraw/zinc/26/87/78/1038268778.db2.gz MKEKKSSWVDAZBU-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO C[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000046529030 1038288538 /nfs/dbraw/zinc/28/85/38/1038288538.db2.gz HXXCUUXWJJGHGL-UHFFFAOYSA-N 1 0 343.430 4.172 20 30 EIEDRO CCc1ccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)[NH+](C)C)cc1 ZINC000912777904 1038290911 /nfs/dbraw/zinc/29/09/11/1038290911.db2.gz XVRCCSGOOHBAKX-VLDJDNEVSA-N 1 0 347.462 4.225 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C1CCC(F)(F)CC1 ZINC000594043212 1038296107 /nfs/dbraw/zinc/29/61/07/1038296107.db2.gz HJNMFQKLKRBGQD-NSHDSACASA-N 1 0 344.352 4.463 20 30 EIEDRO C=CCCc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000504263671 1038309502 /nfs/dbraw/zinc/30/95/02/1038309502.db2.gz BQVKEXADTMVELN-GOSISDBHSA-N 1 0 326.484 4.398 20 30 EIEDRO CCC[N@H+](Cc1ccc(CC#N)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490070825 1038332186 /nfs/dbraw/zinc/33/21/86/1038332186.db2.gz IRDCJTWQCKEBNZ-GOSISDBHSA-N 1 0 349.478 4.300 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)C(=O)Nc1ccccc1C ZINC000490076749 1038334088 /nfs/dbraw/zinc/33/40/88/1038334088.db2.gz CCXBESNROLXOSG-GOSISDBHSA-N 1 0 349.478 4.414 20 30 EIEDRO CC(C)c1ccc([C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594426768 1038341787 /nfs/dbraw/zinc/34/17/87/1038341787.db2.gz RWYGJRMNFLFXMB-RBUKOAKNSA-N 1 0 329.488 4.035 20 30 EIEDRO CN(C)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1cccc(F)c1 ZINC000594493070 1038342160 /nfs/dbraw/zinc/34/21/60/1038342160.db2.gz GCOTWDGBHAQGIG-FQEVSTJZSA-N 1 0 339.458 4.019 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2nc3ccccc3s2)cc1 ZINC000594493285 1038343425 /nfs/dbraw/zinc/34/34/25/1038343425.db2.gz KSSMPYMELCITNQ-UHFFFAOYSA-N 1 0 335.476 4.430 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCC2 ZINC000594496815 1038346693 /nfs/dbraw/zinc/34/66/93/1038346693.db2.gz WNWUOHPTIMBBOP-VLIAUNLRSA-N 1 0 334.419 4.073 20 30 EIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594511979 1038358200 /nfs/dbraw/zinc/35/82/00/1038358200.db2.gz APCAYVZIDBHVCZ-KRWDZBQOSA-N 1 0 347.462 4.253 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)Oc1ccccc1F ZINC000594514102 1038359225 /nfs/dbraw/zinc/35/92/25/1038359225.db2.gz PHRWUKZKTFUARX-OAHLLOKOSA-N 1 0 326.415 4.184 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000594519305 1038359946 /nfs/dbraw/zinc/35/99/46/1038359946.db2.gz JODGBJKEWSYIMX-NYLDSWQDSA-N 1 0 338.495 4.472 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000594611885 1038382602 /nfs/dbraw/zinc/38/26/02/1038382602.db2.gz OSCVTPSNGFKNCM-HZPDHXFCSA-N 1 0 326.362 4.014 20 30 EIEDRO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594915657 1038423669 /nfs/dbraw/zinc/42/36/69/1038423669.db2.gz AWIZOWHPHNUZKW-OAHLLOKOSA-N 1 0 336.435 4.110 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccccc3OCC3CC3)cc2)CC1 ZINC000594920777 1038423892 /nfs/dbraw/zinc/42/38/92/1038423892.db2.gz HLHCSZVBSHHWKG-UHFFFAOYSA-N 1 0 332.447 4.320 20 30 EIEDRO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594915652 1038426496 /nfs/dbraw/zinc/42/64/96/1038426496.db2.gz AWIZOWHPHNUZKW-HNNXBMFYSA-N 1 0 336.435 4.110 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(Br)s3)cc2)CC1 ZINC000594915995 1038427495 /nfs/dbraw/zinc/42/74/95/1038427495.db2.gz ZOPOYJDSPASLPP-UHFFFAOYSA-N 1 0 347.281 4.356 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](c3ccccc3)N3CCCC3)cc2)CC1 ZINC000594922133 1038429849 /nfs/dbraw/zinc/42/98/49/1038429849.db2.gz HNNLCNJURNLDDU-QFIPXVFZSA-N 1 0 345.490 4.168 20 30 EIEDRO CC(C)([NH2+]Cc1csc(Br)c1)c1cccc(C#N)c1 ZINC000594970402 1038485462 /nfs/dbraw/zinc/48/54/62/1038485462.db2.gz ZMSBGAXLBWNOIG-UHFFFAOYSA-N 1 0 335.270 4.407 20 30 EIEDRO C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594972889 1038485372 /nfs/dbraw/zinc/48/53/72/1038485372.db2.gz FNDSSELEXHCXHE-AWEZNQCLSA-N 1 0 344.405 4.323 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H](C[C@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000594933919 1038489611 /nfs/dbraw/zinc/48/96/11/1038489611.db2.gz ARJFGJDXDVSUFV-DENIHFKCSA-N 1 0 346.474 4.499 20 30 EIEDRO N#CCC1(C[NH2+]Cc2ccccc2OCc2ccc(F)cc2F)CC1 ZINC000594934959 1038490317 /nfs/dbraw/zinc/49/03/17/1038490317.db2.gz AEKZTFXUANRARH-UHFFFAOYSA-N 1 0 342.389 4.327 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000594961742 1038543063 /nfs/dbraw/zinc/54/30/63/1038543063.db2.gz YPBTZIBMLFGJEX-YOEHRIQHSA-N 1 0 325.387 4.185 20 30 EIEDRO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594966790 1038559669 /nfs/dbraw/zinc/55/96/69/1038559669.db2.gz AMNVTFOBACHILI-UHFFFAOYSA-N 1 0 344.462 4.386 20 30 EIEDRO COc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)ccc1OC(F)F ZINC000594964793 1038562609 /nfs/dbraw/zinc/56/26/09/1038562609.db2.gz GIKSBBMETSGTSD-UHFFFAOYSA-N 1 0 346.377 4.193 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000424168890 1038724236 /nfs/dbraw/zinc/72/42/36/1038724236.db2.gz GSFYGDZTFPUOHR-FCDYRPLESA-N 1 0 325.374 4.289 20 30 EIEDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3ccc(Cl)cc3C#N)C2)CC1 ZINC000480769778 1038799261 /nfs/dbraw/zinc/79/92/61/1038799261.db2.gz MALBVOIAPWUKMI-KRWDZBQOSA-N 1 0 345.918 4.156 20 30 EIEDRO CCOc1ccccc1CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000554979674 1038806849 /nfs/dbraw/zinc/80/68/49/1038806849.db2.gz XMAYCKKQBQOWDT-UHFFFAOYSA-N 1 0 348.368 4.308 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)C1 ZINC000424327527 1038807183 /nfs/dbraw/zinc/80/71/83/1038807183.db2.gz MTBSWEZSYOQMMM-OWRWGESLSA-N 1 0 337.236 4.321 20 30 EIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424337068 1038828008 /nfs/dbraw/zinc/82/80/08/1038828008.db2.gz YSEFKELOXFSLMG-SCWSEQNSSA-N 1 0 338.426 4.400 20 30 EIEDRO Cc1nc(NC2CC[NH+](C3CCCCC3)CC2)c(Cl)cc1C#N ZINC000461952212 1038844227 /nfs/dbraw/zinc/84/42/27/1038844227.db2.gz ZMNASVOYNGARIN-UHFFFAOYSA-N 1 0 332.879 4.124 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)ccc1F ZINC000504927907 1038857989 /nfs/dbraw/zinc/85/79/89/1038857989.db2.gz WECWKTFFQDRYMX-CQSZACIVSA-N 1 0 344.455 4.290 20 30 EIEDRO COc1cccc([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000539230192 1038881529 /nfs/dbraw/zinc/88/15/29/1038881529.db2.gz UCYMZHVCJWRQTC-AWEZNQCLSA-N 1 0 349.352 4.296 20 30 EIEDRO CCc1ccc([C@H]2CCCCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000537614865 1038889749 /nfs/dbraw/zinc/88/97/49/1038889749.db2.gz FNLBCXCDAAWBBY-LJQANCHMSA-N 1 0 348.450 4.479 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000505030085 1038901011 /nfs/dbraw/zinc/90/10/11/1038901011.db2.gz SGIXDYXSSHLPQV-UHFFFAOYSA-N 1 0 329.488 4.049 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000505036222 1038909454 /nfs/dbraw/zinc/90/94/54/1038909454.db2.gz ULDJSBQUGIOLQK-UHFFFAOYSA-N 1 0 329.488 4.143 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000505035571 1038910304 /nfs/dbraw/zinc/91/03/04/1038910304.db2.gz NTOZBNBMKFWVPH-DLBZAZTESA-N 1 0 329.488 4.047 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000505057774 1038925954 /nfs/dbraw/zinc/92/59/54/1038925954.db2.gz LODUWIRUIGWODW-UHFFFAOYSA-N 1 0 331.504 4.388 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(-n2cccn2)cc1 ZINC000174436118 1038959092 /nfs/dbraw/zinc/95/90/92/1038959092.db2.gz ILJJIWGUGGOAEW-DLBZAZTESA-N 1 0 346.434 4.014 20 30 EIEDRO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000424823067 1039119599 /nfs/dbraw/zinc/11/95/99/1039119599.db2.gz CLLPTBJYNLPAFI-IBGZPJMESA-N 1 0 328.500 4.007 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OCCC)cc1 ZINC000552144217 1039199792 /nfs/dbraw/zinc/19/97/92/1039199792.db2.gz BLTMJNNVUAUJHD-UHFFFAOYSA-N 1 0 329.440 4.139 20 30 EIEDRO C=C(C)C[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000481278825 1039215576 /nfs/dbraw/zinc/21/55/76/1039215576.db2.gz CUVLFLRAYDRKAD-FQEVSTJZSA-N 1 0 342.870 4.054 20 30 EIEDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665561 1039267993 /nfs/dbraw/zinc/26/79/93/1039267993.db2.gz YTIYFCAVHLNUES-KXBFYZLASA-N 1 0 339.414 4.177 20 30 EIEDRO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000537634983 1039320776 /nfs/dbraw/zinc/32/07/76/1039320776.db2.gz LWHACNCXYOKGQE-IBGZPJMESA-N 1 0 349.469 4.363 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccco1 ZINC000552282931 1039339025 /nfs/dbraw/zinc/33/90/25/1039339025.db2.gz SGOUUQJJXGRJJK-QAPCUYQASA-N 1 0 335.394 4.006 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000481358863 1039338852 /nfs/dbraw/zinc/33/88/52/1039338852.db2.gz JWKOEXNSXJYFKQ-XIKOKIGWSA-N 1 0 332.806 4.217 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC1(N[C@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000121283585 1039347448 /nfs/dbraw/zinc/34/74/48/1039347448.db2.gz DEKWFRQSWUKSPN-WIYYLYMNSA-N 1 0 342.527 4.221 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC000481394942 1039380693 /nfs/dbraw/zinc/38/06/93/1039380693.db2.gz YEONQBHFJIYARK-XIKOKIGWSA-N 1 0 332.806 4.217 20 30 EIEDRO CC(C)C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(C)C ZINC000060090262 1039508672 /nfs/dbraw/zinc/50/86/72/1039508672.db2.gz POGGRCZSETVIMQ-UHFFFAOYSA-N 1 0 347.528 4.051 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1OCCCC#N ZINC000092485822 1039550822 /nfs/dbraw/zinc/55/08/22/1039550822.db2.gz PVEDTNQLFQKBPR-ROUUACIJSA-N 1 0 328.456 4.142 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1 ZINC000456741762 1039573437 /nfs/dbraw/zinc/57/34/37/1039573437.db2.gz YXPQTXBLHIGVRH-UHFFFAOYSA-N 1 0 335.451 4.237 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4CCCC[C@H]4C3)CC2)cc1 ZINC000514092866 1039595653 /nfs/dbraw/zinc/59/56/53/1039595653.db2.gz GMHKADLJGDUNIX-SVFBPWRDSA-N 1 0 337.511 4.476 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCOc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000481595528 1039612239 /nfs/dbraw/zinc/61/22/39/1039612239.db2.gz HKVMGJZFMPDUFA-IBGZPJMESA-N 1 0 333.378 4.259 20 30 EIEDRO N#CCCn1cc(C[NH+](CC2CC2)CC2CC2)c(-c2ccccc2)n1 ZINC000093480051 1039706631 /nfs/dbraw/zinc/70/66/31/1039706631.db2.gz LFDWKWDDPUCDDI-UHFFFAOYSA-N 1 0 334.467 4.086 20 30 EIEDRO CC(C)[N@H+](CCc1nccs1)Cc1cccc(OCCCC#N)c1 ZINC000093764175 1039741572 /nfs/dbraw/zinc/74/15/72/1039741572.db2.gz MYYKAWBRCPMTIR-UHFFFAOYSA-N 1 0 343.496 4.279 20 30 EIEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281287409 1039830952 /nfs/dbraw/zinc/83/09/52/1039830952.db2.gz IZZOLQWVWPUEDT-FQEVSTJZSA-N 1 0 326.484 4.184 20 30 EIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000281397274 1039842933 /nfs/dbraw/zinc/84/29/33/1039842933.db2.gz QFIKPZWLFRDTGB-CQSZACIVSA-N 1 0 340.389 4.457 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000600615559 1039862438 /nfs/dbraw/zinc/86/24/38/1039862438.db2.gz WMUDDOPEXDYPHX-PXAZEXFGSA-N 1 0 326.831 4.232 20 30 EIEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000434788162 1039869273 /nfs/dbraw/zinc/86/92/73/1039869273.db2.gz XZURJOFSWQLKOA-LTDKPHRXSA-N 1 0 327.472 4.058 20 30 EIEDRO Cc1cc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc(C#N)n1 ZINC000552937779 1039876659 /nfs/dbraw/zinc/87/66/59/1039876659.db2.gz OQGGUOUXJVMQCE-QGZVFWFLSA-N 1 0 334.467 4.248 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1sccc1Br)CC2 ZINC000566826344 1039911993 /nfs/dbraw/zinc/91/19/93/1039911993.db2.gz IWHIFBZPSWTVNY-AWEZNQCLSA-N 1 0 333.254 4.159 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924986660 1039954158 /nfs/dbraw/zinc/95/41/58/1039954158.db2.gz MKNHBURBTXEHOE-GFCCVEGCSA-N 1 0 332.435 4.458 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000476974202 1040075143 /nfs/dbraw/zinc/07/51/43/1040075143.db2.gz POLDMICNGGEMJH-KRWDZBQOSA-N 1 0 343.490 4.174 20 30 EIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000159562678 1040080300 /nfs/dbraw/zinc/08/03/00/1040080300.db2.gz XMAHJWGINVTCQF-UHFFFAOYSA-N 1 0 335.382 4.027 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(C#N)cc1 ZINC000435134773 1040093231 /nfs/dbraw/zinc/09/32/31/1040093231.db2.gz ZFOVBQHSZPTKFV-UHFFFAOYSA-N 1 0 334.423 4.200 20 30 EIEDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000535266464 1040111857 /nfs/dbraw/zinc/11/18/57/1040111857.db2.gz VRMZFZHYERLUJH-QGZVFWFLSA-N 1 0 331.341 4.176 20 30 EIEDRO C=CCC[C@H](NC(=O)NC1CC[NH+](CC(=C)C)CC1)c1ccccc1 ZINC000158187891 1040157569 /nfs/dbraw/zinc/15/75/69/1040157569.db2.gz YNTZZWCCIHAXAV-FQEVSTJZSA-N 1 0 341.499 4.034 20 30 EIEDRO C[N@H+](Cc1cc(C#N)ccc1Br)C1CCC(F)(F)CC1 ZINC000514747240 1040196484 /nfs/dbraw/zinc/19/64/84/1040196484.db2.gz MGNDLBHJRLQJQY-UHFFFAOYSA-N 1 0 343.215 4.330 20 30 EIEDRO N#CCC[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000553385926 1040200074 /nfs/dbraw/zinc/20/00/74/1040200074.db2.gz HVXOQBIQYNJOPF-GOSISDBHSA-N 1 0 341.842 4.303 20 30 EIEDRO C=C[C@H](CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000535340150 1040204064 /nfs/dbraw/zinc/20/40/64/1040204064.db2.gz JYDCQJSFRSOVJB-NQIIRXRSSA-N 1 0 336.479 4.074 20 30 EIEDRO C=C[C@H](CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)c1ccccc1 ZINC000535339804 1040204724 /nfs/dbraw/zinc/20/47/24/1040204724.db2.gz JFUZCLIQJSWLFW-HDAAZOAOSA-N 1 0 340.511 4.210 20 30 EIEDRO C=C(C)[C@H]([NH2+]C1CCC(C(=O)OCC)CC1)c1ccc(F)c(F)c1 ZINC000482509400 1040307252 /nfs/dbraw/zinc/30/72/52/1040307252.db2.gz NRJZXEXRQHCJMG-RWKZGTHUSA-N 1 0 337.410 4.294 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc(F)c(F)c1 ZINC000479414049 1040335111 /nfs/dbraw/zinc/33/51/11/1040335111.db2.gz FCIFSRPBQZNWDL-LJQANCHMSA-N 1 0 327.378 4.259 20 30 EIEDRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001269952523 1040341233 /nfs/dbraw/zinc/34/12/33/1040341233.db2.gz APDCAJKXMWOHDE-UHFFFAOYSA-N 1 0 337.423 4.067 20 30 EIEDRO CC(C)n1ncc2cc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)cnc21 ZINC000425367049 1040347105 /nfs/dbraw/zinc/34/71/05/1040347105.db2.gz RTUYFRJUMCHZRQ-OAHLLOKOSA-N 1 0 333.439 4.077 20 30 EIEDRO C[C@@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000479463434 1040373091 /nfs/dbraw/zinc/37/30/91/1040373091.db2.gz FREKWUGGVZEAMR-MRXNPFEDSA-N 1 0 337.442 4.265 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000482648915 1040407542 /nfs/dbraw/zinc/40/75/42/1040407542.db2.gz GGDWHFBWTMHTRL-GOSISDBHSA-N 1 0 330.516 4.413 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000551560338 1040411057 /nfs/dbraw/zinc/41/10/57/1040411057.db2.gz RMQXTCDVSJCXCW-RXVVDRJESA-N 1 0 345.490 4.048 20 30 EIEDRO C=C(C)CN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000428786602 1040476228 /nfs/dbraw/zinc/47/62/28/1040476228.db2.gz OCROFPWVRAMUDC-JOCHJYFZSA-N 1 0 335.495 4.124 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000539498145 1040488838 /nfs/dbraw/zinc/48/88/38/1040488838.db2.gz HTOKVNDZUXSQOM-ZDUSSCGKSA-N 1 0 334.341 4.350 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000669829117 1040510523 /nfs/dbraw/zinc/51/05/23/1040510523.db2.gz ZZXMBNYOHIRNRX-ZIAGYGMSSA-N 1 0 334.510 4.064 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(Br)c1 ZINC000482841416 1040515782 /nfs/dbraw/zinc/51/57/82/1040515782.db2.gz ZURKTOIUZGGEFS-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO C=CCC(F)(F)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C[C@@H](CC)CCCC ZINC001270000504 1040533176 /nfs/dbraw/zinc/53/31/76/1040533176.db2.gz DYHKMGXJFDDUAG-ULQDDVLXSA-N 1 0 342.474 4.089 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](C)c1cccc(Br)c1 ZINC000435750706 1040585198 /nfs/dbraw/zinc/58/51/98/1040585198.db2.gz OLXLWPZBOWZDRY-KMFMINBZSA-N 1 0 338.289 4.123 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000435732745 1040586764 /nfs/dbraw/zinc/58/67/64/1040586764.db2.gz RJMIELSMZHGUOM-IUODEOHRSA-N 1 0 333.781 4.430 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000435732505 1040587704 /nfs/dbraw/zinc/58/77/04/1040587704.db2.gz PIZQOPPIKABSAG-LAUBAEHRSA-N 1 0 339.483 4.067 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(C)C)c(OCC)c1 ZINC000435736608 1040591570 /nfs/dbraw/zinc/59/15/70/1040591570.db2.gz YMDOUPDKDCDGPI-GHTZIAJQSA-N 1 0 347.499 4.191 20 30 EIEDRO C[C@H](NCC#Cc1ccccc1Cl)c1ccc(Br)cn1 ZINC000482957334 1040603204 /nfs/dbraw/zinc/60/32/04/1040603204.db2.gz IIZIORKEXBYPNC-LBPRGKRZSA-N 1 0 349.659 4.200 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000539607275 1040604647 /nfs/dbraw/zinc/60/46/47/1040604647.db2.gz INWJFMRATPBVPX-OXJNMPFZSA-N 1 0 337.442 4.013 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(C#N)c(F)c1 ZINC000539608413 1040604897 /nfs/dbraw/zinc/60/48/97/1040604897.db2.gz KFUHYGFEMKFJBC-CQSZACIVSA-N 1 0 348.425 4.162 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000435757794 1040613504 /nfs/dbraw/zinc/61/35/04/1040613504.db2.gz CFHNOHMNZCQEMF-RLLQIKCJSA-N 1 0 343.515 4.208 20 30 EIEDRO CC(C)[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000515327799 1040651108 /nfs/dbraw/zinc/65/11/08/1040651108.db2.gz AVBSSSJHDWDIHH-KRWDZBQOSA-N 1 0 333.863 4.051 20 30 EIEDRO CC(C)[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000515327800 1040654401 /nfs/dbraw/zinc/65/44/01/1040654401.db2.gz AVBSSSJHDWDIHH-QGZVFWFLSA-N 1 0 333.863 4.051 20 30 EIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)ccc1F ZINC000160796469 1040757859 /nfs/dbraw/zinc/75/78/59/1040757859.db2.gz VVPYGONSNRPYGF-HNNXBMFYSA-N 1 0 335.382 4.218 20 30 EIEDRO CCN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000483186603 1040762689 /nfs/dbraw/zinc/76/26/89/1040762689.db2.gz QYMIEILYBUGAMY-UHFFFAOYSA-N 1 0 336.483 4.068 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000483239421 1040777350 /nfs/dbraw/zinc/77/73/50/1040777350.db2.gz SLWHZIXVPMVSFF-CQSZACIVSA-N 1 0 329.271 4.336 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000479913142 1040788240 /nfs/dbraw/zinc/78/82/40/1040788240.db2.gz HPBMMUFWQMEZEK-SLYNCCJLSA-N 1 0 348.494 4.407 20 30 EIEDRO C=CCSc1ccccc1NC(=O)C[N@H+](CC1CC1)C1CCC1 ZINC000483299063 1040809587 /nfs/dbraw/zinc/80/95/87/1040809587.db2.gz WUGZLHDJCHBTFD-UHFFFAOYSA-N 1 0 330.497 4.168 20 30 EIEDRO C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000554116035 1040809980 /nfs/dbraw/zinc/80/99/80/1040809980.db2.gz KBMCAPMINCTTNP-CVEARBPZSA-N 1 0 326.415 4.343 20 30 EIEDRO COc1cc(C)c(C)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595061005 1040819179 /nfs/dbraw/zinc/81/91/79/1040819179.db2.gz JLAYNWHGNURMEH-UHFFFAOYSA-N 1 0 349.478 4.260 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1OC ZINC000539851463 1040840997 /nfs/dbraw/zinc/84/09/97/1040840997.db2.gz WGXLUWDRFZEFAF-APWZRJJASA-N 1 0 333.497 4.120 20 30 EIEDRO C=CCN(Cc1cccs1)Cc1ccc(OCC(F)(F)F)nc1 ZINC000483429131 1040852978 /nfs/dbraw/zinc/85/29/78/1040852978.db2.gz FKHVTSKKLREDMR-UHFFFAOYSA-N 1 0 342.386 4.272 20 30 EIEDRO C=CC[N@@H+](Cc1cc(Cl)ccc1OCc1cccnc1)C1CC1 ZINC000537857195 1040854539 /nfs/dbraw/zinc/85/45/39/1040854539.db2.gz BTBUDMAWALTDLN-UHFFFAOYSA-N 1 0 328.843 4.464 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](OC)c1ccc(Cl)cc1 ZINC000462743500 1040892150 /nfs/dbraw/zinc/89/21/50/1040892150.db2.gz SRXZONQNYRKTGJ-IBGZPJMESA-N 1 0 331.843 4.382 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)ccc1OC ZINC000462768066 1040903186 /nfs/dbraw/zinc/90/31/86/1040903186.db2.gz UPXFPOMJSBQFSZ-WOJBJXKFSA-N 1 0 337.463 4.371 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](OC)c1cccc(Cl)c1 ZINC000462756889 1040906516 /nfs/dbraw/zinc/90/65/16/1040906516.db2.gz RGKMTLKYRUCKSZ-IBGZPJMESA-N 1 0 331.843 4.382 20 30 EIEDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000537942690 1040907743 /nfs/dbraw/zinc/90/77/43/1040907743.db2.gz LPMYWTONNQPLNB-OBXNSHGQSA-N 1 0 328.500 4.023 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([NH2+]CCSCc1ccccc1C#N)CC2 ZINC000537973537 1040979958 /nfs/dbraw/zinc/97/99/58/1040979958.db2.gz OTQAZBANZIETEW-FQEVSTJZSA-N 1 0 338.476 4.077 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000462817749 1040994879 /nfs/dbraw/zinc/99/48/79/1040994879.db2.gz UOOMYINEAJKRDF-GDBMZVCRSA-N 1 0 341.405 4.014 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1ccc(C#N)cc1F ZINC000462817754 1040995875 /nfs/dbraw/zinc/99/58/75/1040995875.db2.gz UOOMYINEAJKRDF-ZBFHGGJFSA-N 1 0 341.405 4.014 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000436286108 1041037249 /nfs/dbraw/zinc/03/72/49/1041037249.db2.gz AQQOWKNOTHVFKH-CPUCHLNUSA-N 1 0 325.399 4.228 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554363062 1041041064 /nfs/dbraw/zinc/04/10/64/1041041064.db2.gz GDGQAQMFENVRFF-NVXWUHKLSA-N 1 0 329.444 4.226 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)cc1 ZINC000462869246 1041048907 /nfs/dbraw/zinc/04/89/07/1041048907.db2.gz VQOKECDUXRBGIF-SAABIXHNSA-N 1 0 341.252 4.357 20 30 EIEDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccc(C#N)c(F)c1 ZINC000483926198 1041066954 /nfs/dbraw/zinc/06/69/54/1041066954.db2.gz OOWMUJNBTWCUTO-UHFFFAOYSA-N 1 0 338.304 4.228 20 30 EIEDRO C[C@H](NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(C#N)cc1F ZINC000436300389 1041067924 /nfs/dbraw/zinc/06/79/24/1041067924.db2.gz LZRSZJUMPFHNLU-YJBOKZPZSA-N 1 0 329.463 4.145 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C#N)c1F ZINC000538139083 1041072590 /nfs/dbraw/zinc/07/25/90/1041072590.db2.gz JYIRNCZJGNCVRM-UHFFFAOYSA-N 1 0 348.425 4.152 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1C(F)(F)F ZINC000436305855 1041078766 /nfs/dbraw/zinc/07/87/66/1041078766.db2.gz HMMAOLYBDCXXSR-KMFMINBZSA-N 1 0 327.390 4.207 20 30 EIEDRO COc1ccc(C2([NH2+]CC#Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000538160619 1041104362 /nfs/dbraw/zinc/10/43/62/1041104362.db2.gz JOQJJIHCEKZZBZ-UHFFFAOYSA-N 1 0 345.364 4.344 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC000484076890 1041108794 /nfs/dbraw/zinc/10/87/94/1041108794.db2.gz VLNMDPDCBHEQTP-HNNXBMFYSA-N 1 0 333.353 4.330 20 30 EIEDRO C=CCCC(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000538219176 1041181680 /nfs/dbraw/zinc/18/16/80/1041181680.db2.gz CHBJDNVUYBEFJH-FQEVSTJZSA-N 1 0 344.499 4.371 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000538222961 1041182001 /nfs/dbraw/zinc/18/20/01/1041182001.db2.gz FINXADSVZRBZPG-RXVVDRJESA-N 1 0 339.866 4.449 20 30 EIEDRO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1Cl ZINC000425538132 1041200737 /nfs/dbraw/zinc/20/07/37/1041200737.db2.gz ROHCUKVNWHCQNS-CYBMUJFWSA-N 1 0 342.826 4.191 20 30 EIEDRO CCCN(Cc1ccc(C#N)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505818381 1041237652 /nfs/dbraw/zinc/23/76/52/1041237652.db2.gz AYMHZKIWBOIJBF-UHFFFAOYSA-N 1 0 327.359 4.018 20 30 EIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)s1 ZINC000538380387 1041287446 /nfs/dbraw/zinc/28/74/46/1041287446.db2.gz SZWAOSJVOUREIY-GFCCVEGCSA-N 1 0 349.297 4.493 20 30 EIEDRO Cc1ccsc1[C@@H](CO)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000540220393 1041302137 /nfs/dbraw/zinc/30/21/37/1041302137.db2.gz LKVQPMCDNLMBON-QPIRBTGLSA-N 1 0 340.492 4.084 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000480494218 1041333737 /nfs/dbraw/zinc/33/37/37/1041333737.db2.gz GBZZKXHIEAPFLZ-UHFFFAOYSA-N 1 0 346.814 4.411 20 30 EIEDRO C=CC[N@@H+](CCOC)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000484665004 1041394520 /nfs/dbraw/zinc/39/45/20/1041394520.db2.gz RINMOSPLRDMPOW-QGZVFWFLSA-N 1 0 338.451 4.134 20 30 EIEDRO C[C@@H]([NH2+]Cc1csc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000538508532 1041396069 /nfs/dbraw/zinc/39/60/69/1041396069.db2.gz RJHFLOCZVCEIPS-SECBINFHSA-N 1 0 339.233 4.372 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000538507703 1041396674 /nfs/dbraw/zinc/39/66/74/1041396674.db2.gz YYKACJIJLQCXMQ-OXQOHEQNSA-N 1 0 337.442 4.013 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1)C1CC1 ZINC000538556234 1041419602 /nfs/dbraw/zinc/41/96/02/1041419602.db2.gz IJRQDOAPJVFMGM-CVEARBPZSA-N 1 0 336.426 4.201 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+]C1(c2ccccc2)CCCC1 ZINC000540388171 1041421343 /nfs/dbraw/zinc/42/13/43/1041421343.db2.gz OHHYOPTXTWHJFF-UHFFFAOYSA-N 1 0 336.435 4.005 20 30 EIEDRO Cc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c1C ZINC000540389544 1041424269 /nfs/dbraw/zinc/42/42/69/1041424269.db2.gz NTWSKNXCRKUIGA-AWEZNQCLSA-N 1 0 341.842 4.118 20 30 EIEDRO C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(C#N)cc1 ZINC000538591203 1041440372 /nfs/dbraw/zinc/44/03/72/1041440372.db2.gz JHKYKBXCVYCYOL-FGTMMUONSA-N 1 0 349.478 4.341 20 30 EIEDRO CC[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000463237174 1041444762 /nfs/dbraw/zinc/44/47/62/1041444762.db2.gz UAXJULMYLVWYOC-BMFZPTHFSA-N 1 0 335.289 4.442 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000463283795 1041474491 /nfs/dbraw/zinc/47/44/91/1041474491.db2.gz QGDNFQZHSBAYFB-RTWAWAEBSA-N 1 0 334.463 4.480 20 30 EIEDRO CC1CCN([C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccccc2)CC1 ZINC000463299944 1041483841 /nfs/dbraw/zinc/48/38/41/1041483841.db2.gz IANCUBBZRXDJQS-HLAWJBBLSA-N 1 0 325.500 4.132 20 30 EIEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(Br)c1 ZINC000463300605 1041483863 /nfs/dbraw/zinc/48/38/63/1041483863.db2.gz KGFOOFVPKDZXEL-CJNGLKHVSA-N 1 0 335.289 4.399 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480713397 1041492517 /nfs/dbraw/zinc/49/25/17/1041492517.db2.gz LYECUFXONWUJRX-SPYBWZPUSA-N 1 0 331.891 4.049 20 30 EIEDRO C[N@H+](CCc1ccc(Br)cc1)Cc1ccc(C#N)s1 ZINC000538739438 1041510440 /nfs/dbraw/zinc/51/04/40/1041510440.db2.gz HJUIEVUWEQODJS-UHFFFAOYSA-N 1 0 335.270 4.057 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(COc3ccccc3)c2)s1 ZINC000540530945 1041522649 /nfs/dbraw/zinc/52/26/49/1041522649.db2.gz ICTALZSCVOJVFW-UHFFFAOYSA-N 1 0 334.444 4.489 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(COCc3ccccc3)c2)o1 ZINC000540540944 1041531057 /nfs/dbraw/zinc/53/10/57/1041531057.db2.gz HHOSKGYECYCOSS-UHFFFAOYSA-N 1 0 332.403 4.158 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC(C)(C)C ZINC000463371313 1041538238 /nfs/dbraw/zinc/53/82/38/1041538238.db2.gz PEOSBJGKBGFLSQ-OAHLLOKOSA-N 1 0 347.528 4.245 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000540567677 1041538402 /nfs/dbraw/zinc/53/84/02/1041538402.db2.gz OHRQZZMZKWMCDA-LMDPOFIKSA-N 1 0 335.536 4.074 20 30 EIEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000540593971 1041551123 /nfs/dbraw/zinc/55/11/23/1041551123.db2.gz WXUXMHJPDDWUTE-JXFKEZNVSA-N 1 0 337.442 4.325 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+]CCCCC3CCCC3)CC2)cc1 ZINC000540594861 1041551153 /nfs/dbraw/zinc/55/11/53/1041551153.db2.gz GWVMWLDFYZLZAE-UHFFFAOYSA-N 1 0 339.527 4.473 20 30 EIEDRO Cc1nc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(Cl)cc1C#N ZINC000461718402 1041569708 /nfs/dbraw/zinc/56/97/08/1041569708.db2.gz MIQZTXNEAURWHQ-HNNXBMFYSA-N 1 0 346.887 4.226 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000128069249 1041591101 /nfs/dbraw/zinc/59/11/01/1041591101.db2.gz CASSGTIBMHTPSY-IAGOWNOFSA-N 1 0 335.451 4.243 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000437081589 1041630130 /nfs/dbraw/zinc/63/01/30/1041630130.db2.gz YFOWYRQFDCPSPS-OXHPOLQJSA-N 1 0 339.483 4.202 20 30 EIEDRO CC(C)(CCC#N)C[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000506025169 1041757945 /nfs/dbraw/zinc/75/79/45/1041757945.db2.gz CMOQDXUDAOJZHF-UHFFFAOYSA-N 1 0 335.495 4.287 20 30 EIEDRO CCCOc1ccccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540973252 1041758675 /nfs/dbraw/zinc/75/86/75/1041758675.db2.gz PEYXJIUWPPJNDB-UHFFFAOYSA-N 1 0 349.478 4.424 20 30 EIEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000460351003 1041784727 /nfs/dbraw/zinc/78/47/27/1041784727.db2.gz LXMYPVYVHOXMNA-CJNGLKHVSA-N 1 0 333.863 4.099 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000090117468 1041849069 /nfs/dbraw/zinc/84/90/69/1041849069.db2.gz XGLHHTHTRGWYLQ-CQSZACIVSA-N 1 0 334.398 4.042 20 30 EIEDRO C=CC[N@@H+](CC[C@@H]1CCOC1)Cc1cc(Br)ccc1F ZINC000437709321 1041885464 /nfs/dbraw/zinc/88/54/64/1041885464.db2.gz LFLDPBLNGIXQBZ-CYBMUJFWSA-N 1 0 342.252 4.003 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2nc(C)nc3sc(C)c(C)c32)CC1 ZINC000517306999 1041943193 /nfs/dbraw/zinc/94/31/93/1041943193.db2.gz SUVHJTDCHJAZOT-UHFFFAOYSA-N 1 0 330.501 4.069 20 30 EIEDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(CCC#N)CC2)cn1 ZINC000517375212 1041994684 /nfs/dbraw/zinc/99/46/84/1041994684.db2.gz INXFDCAGDIPSRH-UHFFFAOYSA-N 1 0 334.467 4.365 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000541537269 1041999403 /nfs/dbraw/zinc/99/94/03/1041999403.db2.gz CNLDYJMSIGDDTI-VQIMIIECSA-N 1 0 339.483 4.035 20 30 EIEDRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000541537267 1041999753 /nfs/dbraw/zinc/99/97/53/1041999753.db2.gz CNLDYJMSIGDDTI-LPHOPBHVSA-N 1 0 339.483 4.035 20 30 EIEDRO COc1ccccc1[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000438062115 1042034691 /nfs/dbraw/zinc/03/46/91/1042034691.db2.gz MLSIACAWWJWBPU-KRWDZBQOSA-N 1 0 325.839 4.190 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000464564995 1042065081 /nfs/dbraw/zinc/06/50/81/1042065081.db2.gz ZPSDZDPBECREEL-DLBZAZTESA-N 1 0 334.529 4.240 20 30 EIEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000517548410 1042076353 /nfs/dbraw/zinc/07/63/53/1042076353.db2.gz PTLPIMCBPPAFSY-UHFFFAOYSA-N 1 0 343.268 4.432 20 30 EIEDRO CC1(C)CCCC[C@@H]1[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000541776233 1042100748 /nfs/dbraw/zinc/10/07/48/1042100748.db2.gz QXIKHPDJLYVHGG-ABHNRTSZSA-N 1 0 327.472 4.202 20 30 EIEDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000464767034 1042154804 /nfs/dbraw/zinc/15/48/04/1042154804.db2.gz BUAIVAHEKCWREE-NRFANRHFSA-N 1 0 333.479 4.141 20 30 EIEDRO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CCCCC1 ZINC000302817890 1042157789 /nfs/dbraw/zinc/15/77/89/1042157789.db2.gz ZKKULAYPDZLKNJ-UHFFFAOYSA-N 1 0 341.499 4.205 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccc(C#N)cc1 ZINC000541911740 1042167257 /nfs/dbraw/zinc/16/72/57/1042167257.db2.gz ALVBZDCOFZTJLZ-FIKGOQFSSA-N 1 0 325.500 4.252 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000541904623 1042170934 /nfs/dbraw/zinc/17/09/34/1042170934.db2.gz DPDDJKJCVVJOEF-DJJJIMSYSA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542015766 1042226884 /nfs/dbraw/zinc/22/68/84/1042226884.db2.gz RYVRCFPRKLCEAZ-AWEZNQCLSA-N 1 0 348.368 4.455 20 30 EIEDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000542014068 1042232768 /nfs/dbraw/zinc/23/27/68/1042232768.db2.gz UWXBJOFXIODGHB-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO COc1ccc(CC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)cc1 ZINC000542200711 1042331811 /nfs/dbraw/zinc/33/18/11/1042331811.db2.gz MKGHESLPGNEVTL-UHFFFAOYSA-N 1 0 334.463 4.216 20 30 EIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000542247657 1042358411 /nfs/dbraw/zinc/35/84/11/1042358411.db2.gz FDOMYQLXFHOTMP-QRWLVFNGSA-N 1 0 336.435 4.159 20 30 EIEDRO CC(C)c1cccc(NC(=O)CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542316977 1042382876 /nfs/dbraw/zinc/38/28/76/1042382876.db2.gz MMQLNTRDOVNVAA-UHFFFAOYSA-N 1 0 347.462 4.285 20 30 EIEDRO CC1=C[C@H](C)C[C@@H](C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000518262621 1042448118 /nfs/dbraw/zinc/44/81/18/1042448118.db2.gz RQRKODPDUIHNPN-CIELIIMNSA-N 1 0 339.483 4.225 20 30 EIEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000518262622 1042448520 /nfs/dbraw/zinc/44/85/20/1042448520.db2.gz RQRKODPDUIHNPN-ZRFLGMCQSA-N 1 0 339.483 4.225 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C)cc1OC[C@@H]1CCOC1)C1CC1 ZINC000438981008 1042450870 /nfs/dbraw/zinc/45/08/70/1042450870.db2.gz TVZLDXFUXYQUJV-XLIONFOSSA-N 1 0 329.484 4.245 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)CCc2ccc(OC)cc2)c1 ZINC000518280333 1042450998 /nfs/dbraw/zinc/45/09/98/1042450998.db2.gz FMZCXRROPWSSPW-QGZVFWFLSA-N 1 0 325.452 4.371 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)[C@@H](OC)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000518304227 1042459464 /nfs/dbraw/zinc/45/94/64/1042459464.db2.gz GCSMYGHWJONQOS-ONGXBYRLSA-N 1 0 338.451 4.384 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)C1CC1 ZINC000439075440 1042485700 /nfs/dbraw/zinc/48/57/00/1042485700.db2.gz CSLWBQVXYDYIEV-ZFWWWQNUSA-N 1 0 344.282 4.068 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)cc1 ZINC000151835847 1042511988 /nfs/dbraw/zinc/51/19/88/1042511988.db2.gz WXJDMZJTWUHZLM-SFHVURJKSA-N 1 0 345.446 4.125 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000271937408 1042538057 /nfs/dbraw/zinc/53/80/57/1042538057.db2.gz NLNKXQWTDCGRON-CQSZACIVSA-N 1 0 342.414 4.346 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1OC ZINC000439427151 1042617191 /nfs/dbraw/zinc/61/71/91/1042617191.db2.gz ASLAZBQLAHLDJQ-ZDUSSCGKSA-N 1 0 344.842 4.388 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439430981 1042622644 /nfs/dbraw/zinc/62/26/44/1042622644.db2.gz OCZKBCZJFYSOQQ-RKVPGOIHSA-N 1 0 331.891 4.049 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609157717 1042627890 /nfs/dbraw/zinc/62/78/90/1042627890.db2.gz RRTBPTPEIHDCLV-NRFANRHFSA-N 1 0 342.446 4.259 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)c(Cl)c1 ZINC000439456253 1042639981 /nfs/dbraw/zinc/63/99/81/1042639981.db2.gz XVOZKWAMLZGLMV-FQEVSTJZSA-N 1 0 340.854 4.084 20 30 EIEDRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(Cl)cc(C#N)c1 ZINC000929771533 1042666737 /nfs/dbraw/zinc/66/67/37/1042666737.db2.gz HXGJALNUVOBKDK-ZLOXQWCVSA-N 1 0 346.883 4.142 20 30 EIEDRO CC(C)[NH+](CCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000174356431 1042679434 /nfs/dbraw/zinc/67/94/34/1042679434.db2.gz YHLSJWLVXQSXFJ-UHFFFAOYSA-N 1 0 344.503 4.118 20 30 EIEDRO C=CCOc1ccccc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000030787943 1042701654 /nfs/dbraw/zinc/70/16/54/1042701654.db2.gz IEYYHYJYCMIWNP-UHFFFAOYSA-N 1 0 336.435 4.100 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)ccc1C#N ZINC000443972394 1042705070 /nfs/dbraw/zinc/70/50/70/1042705070.db2.gz MJWUKNACLZJJGQ-UHFFFAOYSA-N 1 0 334.341 4.098 20 30 EIEDRO C[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)Oc1ccccc1Cl ZINC000518844109 1042719339 /nfs/dbraw/zinc/71/93/39/1042719339.db2.gz OKFFECKIIBFNDL-FZKQIMNGSA-N 1 0 326.827 4.256 20 30 EIEDRO Cc1cc(CN[C@H](C)c2nc(-c3ccncc3)cs2)ccc1C#N ZINC000444000653 1042739487 /nfs/dbraw/zinc/73/94/87/1042739487.db2.gz WYGFAHBNHNKHPU-CQSZACIVSA-N 1 0 334.448 4.236 20 30 EIEDRO N#CCC[C@H]([NH2+]Cc1ccc2c(c1)OCCCCO2)c1ccccc1 ZINC000518899833 1042750464 /nfs/dbraw/zinc/75/04/64/1042750464.db2.gz NWTPEHKRZXBTOZ-IBGZPJMESA-N 1 0 336.435 4.373 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000492938297 1042771334 /nfs/dbraw/zinc/77/13/34/1042771334.db2.gz UONHBOVFGDHHLM-PKOBYXMFSA-N 1 0 341.499 4.107 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000177911466 1042854538 /nfs/dbraw/zinc/85/45/38/1042854538.db2.gz SAEVOOCILMCXKY-GFCCVEGCSA-N 1 0 344.833 4.242 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2C[C@@H](C)c3c2cccc3Br)CC1 ZINC000177910860 1042854519 /nfs/dbraw/zinc/85/45/19/1042854519.db2.gz YMOCWONYCZRAMW-DYVFJYSZSA-N 1 0 349.316 4.237 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)cc(OC)c1O ZINC000088765996 1042922519 /nfs/dbraw/zinc/92/25/19/1042922519.db2.gz XJVCCGXUKWUNBU-CQSZACIVSA-N 1 0 329.415 4.428 20 30 EIEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000493571987 1042931714 /nfs/dbraw/zinc/93/17/14/1042931714.db2.gz IZUGQMCNMJWUCX-WMZOPIPTSA-N 1 0 338.455 4.303 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000487399094 1043044393 /nfs/dbraw/zinc/04/43/93/1043044393.db2.gz QZBADZFDRQVDQD-DYESRHJHSA-N 1 0 334.463 4.450 20 30 EIEDRO C=C(C)COc1cccc(NC2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000183501020 1043047693 /nfs/dbraw/zinc/04/76/93/1043047693.db2.gz RCCMXVQXNFCUOP-UHFFFAOYSA-N 1 0 342.405 4.470 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2nsnc21 ZINC000766029816 1043051591 /nfs/dbraw/zinc/05/15/91/1043051591.db2.gz QGCHKOQTGHFPHB-UHFFFAOYSA-N 1 0 336.464 4.221 20 30 EIEDRO N#Cc1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000309651607 1043075296 /nfs/dbraw/zinc/07/52/96/1043075296.db2.gz AIETXCYQAPQJLW-MRXNPFEDSA-N 1 0 325.843 4.146 20 30 EIEDRO N#CC1(CCC[NH2+]C2(c3ccc(F)cc3)CCCC2)CCOCC1 ZINC000499518260 1043089486 /nfs/dbraw/zinc/08/94/86/1043089486.db2.gz MGQXUKHQPYSGJP-UHFFFAOYSA-N 1 0 330.447 4.285 20 30 EIEDRO C=CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000427645190 1043106845 /nfs/dbraw/zinc/10/68/45/1043106845.db2.gz MHFJYHRHDXTBPV-BHDDXSALSA-N 1 0 348.490 4.298 20 30 EIEDRO C=C(C)[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000184847033 1043133924 /nfs/dbraw/zinc/13/39/24/1043133924.db2.gz ZRGPDWUPYAGMNS-IBGZPJMESA-N 1 0 344.405 4.074 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000076736081 1043142768 /nfs/dbraw/zinc/14/27/68/1043142768.db2.gz BAANRJJUHQOHGU-UHFFFAOYSA-N 1 0 325.334 4.153 20 30 EIEDRO CC1CCN([C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)c2cccs2)CC1 ZINC000185756968 1043217936 /nfs/dbraw/zinc/21/79/36/1043217936.db2.gz DUKISMGISBALFQ-OKZBNKHCSA-N 1 0 331.529 4.193 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2Cl)C1 ZINC000185804569 1043221200 /nfs/dbraw/zinc/22/12/00/1043221200.db2.gz LUHZILCYKFUUEJ-GWCFXTLKSA-N 1 0 327.653 4.274 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCc2ccc(Br)cc2F)C1 ZINC000185828973 1043224600 /nfs/dbraw/zinc/22/46/00/1043224600.db2.gz LIYIWIWUBDHPNT-SWLSCSKDSA-N 1 0 339.252 4.193 20 30 EIEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000185862420 1043226220 /nfs/dbraw/zinc/22/62/20/1043226220.db2.gz FMSNEDNJNDMOLL-ZFWWWQNUSA-N 1 0 326.362 4.108 20 30 EIEDRO CC[C@@]1(C)CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000441819439 1043253648 /nfs/dbraw/zinc/25/36/48/1043253648.db2.gz GQCWZZCIHKBURH-IBGZPJMESA-N 1 0 347.890 4.099 20 30 EIEDRO C=C(C)CNC(=S)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000843280751 1043335094 /nfs/dbraw/zinc/33/50/94/1043335094.db2.gz JWWQENQPDAEODB-UHFFFAOYSA-N 1 0 349.569 4.127 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000625701123 1043359192 /nfs/dbraw/zinc/35/91/92/1043359192.db2.gz ORAJHGXGZDVCEP-LLVKDONJSA-N 1 0 346.780 4.195 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)cc1 ZINC000287385569 1043371896 /nfs/dbraw/zinc/37/18/96/1043371896.db2.gz IMUAXWWQDHIEBT-IBGZPJMESA-N 1 0 339.435 4.046 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC000438843152 1043391086 /nfs/dbraw/zinc/39/10/86/1043391086.db2.gz UYUUBTOXJVYADL-UHFFFAOYSA-N 1 0 341.842 4.062 20 30 EIEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H](C)c1nc2ccccc2s1 ZINC000467435660 1043414469 /nfs/dbraw/zinc/41/44/69/1043414469.db2.gz KOKYDGIVYWKKCA-GJZGRUSLSA-N 1 0 335.476 4.492 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000520959313 1043450297 /nfs/dbraw/zinc/45/02/97/1043450297.db2.gz ABKHUKUHKRGLAF-UHFFFAOYSA-N 1 0 346.814 4.145 20 30 EIEDRO Clc1ccc(C#CC[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)cc1 ZINC000494445925 1043490587 /nfs/dbraw/zinc/49/05/87/1043490587.db2.gz SQMFZUGKLNVLJZ-OALUTQOASA-N 1 0 346.257 4.465 20 30 EIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCC1(C#N)CCOCC1 ZINC000499626607 1043498109 /nfs/dbraw/zinc/49/81/09/1043498109.db2.gz PUXDPUIJJFSAON-INIZCTEOSA-N 1 0 326.440 4.492 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543033840 1043587447 /nfs/dbraw/zinc/58/74/47/1043587447.db2.gz QDSFUIFNVZUQRT-HOIFWPIMSA-N 1 0 333.479 4.359 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000521323337 1043712482 /nfs/dbraw/zinc/71/24/82/1043712482.db2.gz MYDSWEVQOWUYGV-TZIWHRDSSA-N 1 0 328.500 4.007 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(CC)s2)cc(OC)c1OC ZINC000731218138 1043723369 /nfs/dbraw/zinc/72/33/69/1043723369.db2.gz PKOKXPUJJFSGRH-UHFFFAOYSA-N 1 0 331.481 4.346 20 30 EIEDRO CCOc1ccc([C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C(C)C)cc1OCC ZINC000442646462 1043796334 /nfs/dbraw/zinc/79/63/34/1043796334.db2.gz KCRYCGVEFZXLBI-OXFYSEKESA-N 1 0 330.472 4.463 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000521471444 1043797028 /nfs/dbraw/zinc/79/70/28/1043797028.db2.gz DRLTWGJCMBNPPI-FQEVSTJZSA-N 1 0 332.919 4.291 20 30 EIEDRO C=CCCOCC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000224759709 1043847398 /nfs/dbraw/zinc/84/73/98/1043847398.db2.gz WDVZPQGLGXAOLO-LBPRGKRZSA-N 1 0 338.245 4.439 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCCC1(C)C ZINC000191865230 1043854050 /nfs/dbraw/zinc/85/40/50/1043854050.db2.gz KHNIKWSYQXLMTB-PBHICJAKSA-N 1 0 345.512 4.045 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2Cl)ccc1C#N ZINC000442827640 1043858683 /nfs/dbraw/zinc/85/86/83/1043858683.db2.gz LFOMGCJFGHWRQB-YJYMSZOUSA-N 1 0 344.842 4.086 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000442865613 1043868313 /nfs/dbraw/zinc/86/83/13/1043868313.db2.gz INSSQXXQGSBJHM-RUZUBIRVSA-N 1 0 337.236 4.116 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000442874235 1043872814 /nfs/dbraw/zinc/87/28/14/1043872814.db2.gz STPXLAMLYCBMOZ-WSNMIEGMSA-N 1 0 341.405 4.369 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)cc1 ZINC000766072385 1043878539 /nfs/dbraw/zinc/87/85/39/1043878539.db2.gz HZKVZQYMCIMHPO-HQRMLTQVSA-N 1 0 329.484 4.191 20 30 EIEDRO CC1(C)[C@H]([NH2+]CC2CCC(C#N)CC2)C[C@H]1OCc1ccccc1 ZINC000442877507 1043879985 /nfs/dbraw/zinc/87/99/85/1043879985.db2.gz ZQFKOHCZMFZHBE-OTGCGEFBSA-N 1 0 326.484 4.290 20 30 EIEDRO C=CCc1cc(OC)cc(C[N@H+](C)Cc2cccc(Cl)c2)c1O ZINC000732439683 1043925277 /nfs/dbraw/zinc/92/52/77/1043925277.db2.gz NIRPSICSPKXZRJ-UHFFFAOYSA-N 1 0 331.843 4.415 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)CC2)cc1OCCCC#N ZINC000442992174 1043934316 /nfs/dbraw/zinc/93/43/16/1043934316.db2.gz BWWFAKBLMZZAGU-AEFFLSMTSA-N 1 0 330.472 4.436 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)cc1 ZINC000011047454 1043944812 /nfs/dbraw/zinc/94/48/12/1043944812.db2.gz WGHHVHPFHUUAOK-GUYCJALGSA-N 1 0 341.842 4.280 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)CC1CCCCC1 ZINC000732666812 1043981571 /nfs/dbraw/zinc/98/15/71/1043981571.db2.gz DMLMUKKMEGNKJT-UHFFFAOYSA-N 1 0 340.511 4.491 20 30 EIEDRO C=C(C)CN(CC)C(=O)CN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000521814219 1043992336 /nfs/dbraw/zinc/99/23/36/1043992336.db2.gz OMNMDLUMZYRQEA-AWEZNQCLSA-N 1 0 342.405 4.123 20 30 EIEDRO C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000439127491 1044071666 /nfs/dbraw/zinc/07/16/66/1044071666.db2.gz JMRGCABYCYZTJH-WBMJQRKESA-N 1 0 348.372 4.075 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1 ZINC000733326168 1044191520 /nfs/dbraw/zinc/19/15/20/1044191520.db2.gz LTWNJCGTRVFSFG-UHFFFAOYSA-N 1 0 333.353 4.397 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000733328596 1044192983 /nfs/dbraw/zinc/19/29/83/1044192983.db2.gz VZVCJSVOWJBCEK-DENIHFKCSA-N 1 0 348.490 4.014 20 30 EIEDRO C[C@H]1CC(NCc2ccccc2C#N)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168016436 1044249753 /nfs/dbraw/zinc/24/97/53/1044249753.db2.gz VWVBUJHFCYZIFR-ROUUACIJSA-N 1 0 333.479 4.089 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC(F)F ZINC000174430908 1044270774 /nfs/dbraw/zinc/27/07/74/1044270774.db2.gz XLZHMGRRFWFRDC-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH+]2CCC(N=Nc3nc4ccccc4[nH]3)CC2)C1 ZINC000733745512 1044296438 /nfs/dbraw/zinc/29/64/38/1044296438.db2.gz NTBFEEKXKIHPFT-GOEBONIOSA-N 1 0 325.460 4.005 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@@H](COCC)C1 ZINC000733788860 1044310847 /nfs/dbraw/zinc/31/08/47/1044310847.db2.gz ZGQILBMGQJQCGA-MRXNPFEDSA-N 1 0 345.512 4.020 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]C/C=C\c2ccccc2OC)c1 ZINC000733801403 1044311995 /nfs/dbraw/zinc/31/19/95/1044311995.db2.gz ZFCLOJUAIQVUCR-KWEPMOPPSA-N 1 0 336.435 4.179 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000116907828 1044318467 /nfs/dbraw/zinc/31/84/67/1044318467.db2.gz NZDCDZITPLNMLQ-UZLBHIALSA-N 1 0 338.451 4.319 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3c2nccc3Cl)c1 ZINC000925413786 1044328863 /nfs/dbraw/zinc/32/88/63/1044328863.db2.gz IXBOCCKGDXGWTR-KSSFIOAISA-N 1 0 341.842 4.193 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2cccc(C#N)c2)cc1Cl ZINC000466425624 1044448217 /nfs/dbraw/zinc/44/82/17/1044448217.db2.gz OHBOZBZIZOIPRZ-UHFFFAOYSA-N 1 0 326.827 4.109 20 30 EIEDRO C=CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000494902999 1044490820 /nfs/dbraw/zinc/49/08/20/1044490820.db2.gz RXSGOSLMDDTIRT-JOCHJYFZSA-N 1 0 348.490 4.081 20 30 EIEDRO C[C@H]1CC(N=Nc2nc3ccccc3[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000734297683 1044524280 /nfs/dbraw/zinc/52/42/80/1044524280.db2.gz SMJYLSFYCLBTJM-HNNXBMFYSA-N 1 0 333.439 4.015 20 30 EIEDRO C[C@H]1CC(N=Nc2nncc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000734297362 1044524397 /nfs/dbraw/zinc/52/43/97/1044524397.db2.gz JZNATBTYSJQOSX-INIZCTEOSA-N 1 0 345.450 4.082 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCSC2)cc1 ZINC000494936955 1044533976 /nfs/dbraw/zinc/53/39/76/1044533976.db2.gz CZDPXMVSQABZSC-LJQANCHMSA-N 1 0 340.467 4.453 20 30 EIEDRO C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000443644947 1044603967 /nfs/dbraw/zinc/60/39/67/1044603967.db2.gz ZOVRZXRHSUDYJB-IAGOWNOFSA-N 1 0 337.467 4.106 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000495051225 1044617927 /nfs/dbraw/zinc/61/79/27/1044617927.db2.gz SBIADYZRTMTFPW-AUUYWEPGSA-N 1 0 333.834 4.343 20 30 EIEDRO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000734840049 1044698470 /nfs/dbraw/zinc/69/84/70/1044698470.db2.gz VCSVJRXBDWNZEK-FQEVSTJZSA-N 1 0 338.476 4.188 20 30 EIEDRO COc1ccc(C[NH2+]C[C@@]23C[C@@H]2CCCC3)cc1OCCCC#N ZINC000922427233 1044720163 /nfs/dbraw/zinc/72/01/63/1044720163.db2.gz NUWWORIWAOAEFX-FXAWDEMLSA-N 1 0 328.456 4.048 20 30 EIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000154333323 1044773407 /nfs/dbraw/zinc/77/34/07/1044773407.db2.gz FONCZTOZRDXCHJ-HOTGVXAUSA-N 1 0 330.435 4.464 20 30 EIEDRO CCN(Cc1cccc(F)c1)Cc1ccc(Br)cc1C#N ZINC001141816949 1044806247 /nfs/dbraw/zinc/80/62/47/1044806247.db2.gz QFGOOHGYGBIYDI-UHFFFAOYSA-N 1 0 347.231 4.482 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@H](COc1c(C)cccc1C)c1ccccc1 ZINC001168484248 1044857486 /nfs/dbraw/zinc/85/74/86/1044857486.db2.gz AQHMVFCVGXFCRH-NHCUHLMSSA-N 1 0 339.479 4.340 20 30 EIEDRO CC[N@H+](CCC(=O)c1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000509261201 1044866770 /nfs/dbraw/zinc/86/67/70/1044866770.db2.gz AVPBDJLZAWJOKW-MRXNPFEDSA-N 1 0 336.435 4.223 20 30 EIEDRO CC[C@H](C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)[NH+](CC)CC ZINC000736003302 1044887877 /nfs/dbraw/zinc/88/78/77/1044887877.db2.gz XOISJDIBYPPEBF-LEWJYISDSA-N 1 0 349.478 4.401 20 30 EIEDRO C=CCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 ZINC000543600160 1044891373 /nfs/dbraw/zinc/89/13/73/1044891373.db2.gz MQLGOFRFCJFUCK-NQIIRXRSSA-N 1 0 336.479 4.205 20 30 EIEDRO CC(C)C[C@](C)(C#N)NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168033448 1044895650 /nfs/dbraw/zinc/89/56/50/1044895650.db2.gz KSQIJTCZKVRZGM-BBTUJRGHSA-N 1 0 327.516 4.346 20 30 EIEDRO Cc1c(C[NH2+]Cc2ccc(C)c(C#N)c2)sc2nc(C)nc(C)c12 ZINC000922759807 1044930376 /nfs/dbraw/zinc/93/03/76/1044930376.db2.gz UQIBHKAXMTUDFL-UHFFFAOYSA-N 1 0 336.464 4.086 20 30 EIEDRO CCOc1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)cc(Cl)c1OC ZINC000922763641 1044932991 /nfs/dbraw/zinc/93/29/91/1044932991.db2.gz XZIMTLJWSOQFJV-UHFFFAOYSA-N 1 0 344.842 4.217 20 30 EIEDRO N#CC1CCC(C[NH+]2CCC(OCCc3ccccc3)CC2)CC1 ZINC000929361716 1044958527 /nfs/dbraw/zinc/95/85/27/1044958527.db2.gz MRQLPMYNJNTIFX-UHFFFAOYSA-N 1 0 326.484 4.040 20 30 EIEDRO C[NH+](C)CC[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1cccnc1 ZINC000895893647 1044965834 /nfs/dbraw/zinc/96/58/34/1044965834.db2.gz YOXQEFRNLRMJJQ-QGZVFWFLSA-N 1 0 348.372 4.077 20 30 EIEDRO C#CCCC[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000766223807 1044999261 /nfs/dbraw/zinc/99/92/61/1044999261.db2.gz SZNUHOPICGIBNQ-SFHVURJKSA-N 1 0 343.268 4.131 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCc3cccnc32)ccc1OC ZINC000922880144 1045019546 /nfs/dbraw/zinc/01/95/46/1045019546.db2.gz PTZHCEXJJPKIPS-SFHVURJKSA-N 1 0 338.451 4.212 20 30 EIEDRO CCCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H](CC)c1ccccc1 ZINC000303671059 1045051052 /nfs/dbraw/zinc/05/10/52/1045051052.db2.gz YRHSZCDYVXACJH-PZJWPPBQSA-N 1 0 341.499 4.048 20 30 EIEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000186691854 1045126648 /nfs/dbraw/zinc/12/66/48/1045126648.db2.gz SKGYHFMYCHSDIJ-ABAIWWIYSA-N 1 0 336.888 4.360 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cnc4ccccn34)c2)s1 ZINC000740013326 1045180378 /nfs/dbraw/zinc/18/03/78/1045180378.db2.gz DJBDMYGOGUIORT-UHFFFAOYSA-N 1 0 344.443 4.224 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)c2ccccc2Cl)c(O)c1 ZINC000740763880 1045218661 /nfs/dbraw/zinc/21/86/61/1045218661.db2.gz SAVODAIKLXEARF-VFAFIFLJSA-N 1 0 346.858 4.044 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](CC)c1ccc(OC)c(OC)c1)c1ccncc1 ZINC000766020993 1045234159 /nfs/dbraw/zinc/23/41/59/1045234159.db2.gz RZEQHGOLZDPLII-ROUUACIJSA-N 1 0 326.440 4.457 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccncc1 ZINC000766021936 1045236633 /nfs/dbraw/zinc/23/66/33/1045236633.db2.gz VOZHIKIRIGCQFT-RDTXWAMCSA-N 1 0 335.451 4.279 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCC2CC(OC(C)(C)C)C2)cc1 ZINC000762458029 1045246769 /nfs/dbraw/zinc/24/67/69/1045246769.db2.gz WFPYDWLCRAJELV-UHFFFAOYSA-N 1 0 329.484 4.162 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477575 1045254796 /nfs/dbraw/zinc/25/47/96/1045254796.db2.gz VMPRVQGIVMTPBG-NHCUHLMSSA-N 1 0 335.495 4.342 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000611248622 1045266945 /nfs/dbraw/zinc/26/69/45/1045266945.db2.gz NKZYJBLPKCYZGM-KBPBESRZSA-N 1 0 339.395 4.277 20 30 EIEDRO CCCC[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1ccc(C)o1 ZINC000611258074 1045269443 /nfs/dbraw/zinc/26/94/43/1045269443.db2.gz DCLYZGSMKPRVIZ-MRXNPFEDSA-N 1 0 336.439 4.471 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741157435 1045277690 /nfs/dbraw/zinc/27/76/90/1045277690.db2.gz QZAKXNCTUHGNJP-MRXNPFEDSA-N 1 0 348.462 4.071 20 30 EIEDRO CCCC1CCC(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000611314522 1045279683 /nfs/dbraw/zinc/27/96/83/1045279683.db2.gz WWWZBRHVEIEDPU-UHFFFAOYSA-N 1 0 340.515 4.118 20 30 EIEDRO CCC1(O)CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000611327624 1045279723 /nfs/dbraw/zinc/27/97/23/1045279723.db2.gz MXJXHAJHWAVUGB-UHFFFAOYSA-N 1 0 326.484 4.064 20 30 EIEDRO COc1ccc(Cl)cc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392361 1045296641 /nfs/dbraw/zinc/29/66/41/1045296641.db2.gz NIUUSSJZYUREEQ-SFHVURJKSA-N 1 0 326.827 4.387 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000611390633 1045297747 /nfs/dbraw/zinc/29/77/47/1045297747.db2.gz MIBOPGYRSZIBCF-GOTSBHOMSA-N 1 0 345.490 4.362 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000611393108 1045299497 /nfs/dbraw/zinc/29/94/97/1045299497.db2.gz JQZGHRWAXHWYIS-YADHBBJMSA-N 1 0 342.446 4.163 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000611393105 1045299680 /nfs/dbraw/zinc/29/96/80/1045299680.db2.gz JQZGHRWAXHWYIS-FCHUYYIVSA-N 1 0 342.446 4.163 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)ccn1 ZINC000611396386 1045300597 /nfs/dbraw/zinc/30/05/97/1045300597.db2.gz MYYNTVWWEJGPHL-QFIPXVFZSA-N 1 0 343.430 4.001 20 30 EIEDRO CC(C)(C)Oc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611395277 1045301226 /nfs/dbraw/zinc/30/12/26/1045301226.db2.gz ZVYHOBVMKXVNDR-IBGZPJMESA-N 1 0 335.451 4.298 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000611391145 1045302031 /nfs/dbraw/zinc/30/20/31/1045302031.db2.gz VTWACXSNCXKHDM-OAQYLSRUSA-N 1 0 346.478 4.111 20 30 EIEDRO CCC(=O)Nc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611390879 1045302509 /nfs/dbraw/zinc/30/25/09/1045302509.db2.gz IPCRDMHIJTUGOG-HXUWFJFHSA-N 1 0 333.435 4.074 20 30 EIEDRO CCCCOc1ncccc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391392 1045302566 /nfs/dbraw/zinc/30/25/66/1045302566.db2.gz NWZYNNUWAGMPOK-HXUWFJFHSA-N 1 0 335.451 4.299 20 30 EIEDRO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000495706091 1045305330 /nfs/dbraw/zinc/30/53/30/1045305330.db2.gz KROLSMFTHYZXCU-INIZCTEOSA-N 1 0 337.508 4.086 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 ZINC000611438194 1045307832 /nfs/dbraw/zinc/30/78/32/1045307832.db2.gz FDLHTGBFHIDHIJ-RDJZCZTQSA-N 1 0 339.870 4.389 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1 ZINC000611438192 1045308617 /nfs/dbraw/zinc/30/86/17/1045308617.db2.gz FDLHTGBFHIDHIJ-DOTOQJQBSA-N 1 0 339.870 4.389 20 30 EIEDRO C=CCOc1ccccc1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000236673949 1045362852 /nfs/dbraw/zinc/36/28/52/1045362852.db2.gz WHBRRLHYHUGWHI-UHFFFAOYSA-N 1 0 328.500 4.138 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(C)c1 ZINC000272332848 1045417181 /nfs/dbraw/zinc/41/71/81/1045417181.db2.gz YDMDSNXOSWVCTB-KRWDZBQOSA-N 1 0 347.462 4.171 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH+](CC(C)(C)CCC#N)CC2 ZINC000495820669 1045422404 /nfs/dbraw/zinc/42/24/04/1045422404.db2.gz YSNDSIGZVUZXBG-UHFFFAOYSA-N 1 0 349.519 4.039 20 30 EIEDRO CC(C)C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000153315330 1045494180 /nfs/dbraw/zinc/49/41/80/1045494180.db2.gz NUYZIYATRSEYFO-QGZVFWFLSA-N 1 0 341.480 4.325 20 30 EIEDRO CCCCCCCCOCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000790512524 1045522799 /nfs/dbraw/zinc/52/27/99/1045522799.db2.gz AEZPLEFZMBXLMZ-UHFFFAOYSA-N 1 0 328.416 4.261 20 30 EIEDRO C[C@H](Cc1cc(Br)ccc1F)[NH2+]Cc1ccc(C#N)cc1 ZINC000533638691 1045677043 /nfs/dbraw/zinc/67/70/43/1045677043.db2.gz LRSRRNJJOWPFNH-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OCC2(C#N)CCC2)c1 ZINC000768091679 1045708046 /nfs/dbraw/zinc/70/80/46/1045708046.db2.gz QJXMAXAAQZAPMA-UHFFFAOYSA-N 1 0 348.446 4.169 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cnnn1CC)c1ccc(C(F)(F)F)cc1 ZINC000459388691 1045782968 /nfs/dbraw/zinc/78/29/68/1045782968.db2.gz OZNIEPQMSWEADY-MRXNPFEDSA-N 1 0 338.377 4.114 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768519682 1045814170 /nfs/dbraw/zinc/81/41/70/1045814170.db2.gz VTDHTODISHHUGF-QWFCFKBJSA-N 1 0 349.478 4.300 20 30 EIEDRO CC(C)(C#N)CCCCOC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000768718399 1045832168 /nfs/dbraw/zinc/83/21/68/1045832168.db2.gz LOSAWDRONYJTFI-UHFFFAOYSA-N 1 0 342.483 4.162 20 30 EIEDRO CCCCCCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247074861 1045839738 /nfs/dbraw/zinc/83/97/38/1045839738.db2.gz CQIJQKPSILPITR-UYAOXDASSA-N 1 0 345.531 4.159 20 30 EIEDRO CCCCCCCCCCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000768967344 1045864136 /nfs/dbraw/zinc/86/41/36/1045864136.db2.gz QHWUBTUANILNNT-UHFFFAOYSA-N 1 0 337.552 4.397 20 30 EIEDRO CCO[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C12CCCCC2 ZINC001169997946 1045867980 /nfs/dbraw/zinc/86/79/80/1045867980.db2.gz CHMOAIUQIZHORX-MOPGFXCFSA-N 1 0 331.887 4.409 20 30 EIEDRO C=CC[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccncc1 ZINC000769021469 1045869999 /nfs/dbraw/zinc/86/99/99/1045869999.db2.gz NPRVQFDJTZXKIQ-DAWZGUTISA-N 1 0 330.472 4.189 20 30 EIEDRO C#CCOc1ccccc1C[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000769213665 1045896384 /nfs/dbraw/zinc/89/63/84/1045896384.db2.gz VVUQLIVTTYWIEE-GMAHTHKFSA-N 1 0 349.474 4.298 20 30 EIEDRO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769234977 1045897414 /nfs/dbraw/zinc/89/74/14/1045897414.db2.gz ZYUIYXIIHRMBOQ-FQEVSTJZSA-N 1 0 333.479 4.334 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(N3CCOC3=O)c2)ccc1C#N ZINC000496307161 1045899866 /nfs/dbraw/zinc/89/98/66/1045899866.db2.gz NCKFBRYXQOQQQA-MRXNPFEDSA-N 1 0 349.434 4.016 20 30 EIEDRO CCCCCC/C(=C/c1ccccc1)C[NH+]1CCN(CC#N)CC1 ZINC000769298397 1045911272 /nfs/dbraw/zinc/91/12/72/1045911272.db2.gz NZUNNOQLJLATHG-UZYVYHOESA-N 1 0 325.500 4.182 20 30 EIEDRO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC(=O)Cc2ccccc2)cc1 ZINC001170187537 1045919660 /nfs/dbraw/zinc/91/96/60/1045919660.db2.gz ZIXGUUHTWJXGPO-QFIPXVFZSA-N 1 0 334.463 4.233 20 30 EIEDRO C[C@]1(c2ccccc2)CCC[N@H+](CCOc2cccc(C#N)c2)CC1 ZINC001170194774 1045933330 /nfs/dbraw/zinc/93/33/30/1045933330.db2.gz OICKQXJRFQEKIV-QFIPXVFZSA-N 1 0 334.463 4.381 20 30 EIEDRO N#Cc1ccc(CNc2ccc(CO[C@@H]3CCCC[C@H]3[NH3+])cc2)s1 ZINC001170201668 1045938432 /nfs/dbraw/zinc/93/84/32/1045938432.db2.gz HUJZUAOZVZXPGE-RTBURBONSA-N 1 0 341.480 4.018 20 30 EIEDRO CC[NH+](CC)Cc1cc(OC)ccc1NCc1ccc(C#N)s1 ZINC001170201445 1045938560 /nfs/dbraw/zinc/93/85/60/1045938560.db2.gz FBLAQCXQNAEMKU-UHFFFAOYSA-N 1 0 329.469 4.082 20 30 EIEDRO CC[C@@H]1C[C@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)CCO1 ZINC001170233548 1045940304 /nfs/dbraw/zinc/94/03/04/1045940304.db2.gz HAWQPPRHOJUATM-HZPDHXFCSA-N 1 0 348.874 4.012 20 30 EIEDRO COc1ccc([C@@H]2CCCN2Cc2ccc(C#N)c(F)c2)cc1OC ZINC000191879818 1045949015 /nfs/dbraw/zinc/94/90/15/1045949015.db2.gz AXQFXWZFXBQMTL-SFHVURJKSA-N 1 0 340.398 4.052 20 30 EIEDRO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769423339 1045959382 /nfs/dbraw/zinc/95/93/82/1045959382.db2.gz FVEZHSKGMCLUTN-INIZCTEOSA-N 1 0 337.442 4.295 20 30 EIEDRO COc1ccc(C(C)=NNc2cccc(C)c2)cc1C[NH+]1CCCC1 ZINC000916256071 1045966130 /nfs/dbraw/zinc/96/61/30/1045966130.db2.gz KRSLYKVSKLEDAQ-UHFFFAOYSA-N 1 0 337.467 4.436 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000614963837 1045968695 /nfs/dbraw/zinc/96/86/95/1045968695.db2.gz LFIIYHPBRBJKHE-MRXNPFEDSA-N 1 0 338.426 4.440 20 30 EIEDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769446738 1045974920 /nfs/dbraw/zinc/97/49/20/1045974920.db2.gz TUGHWOFQPJZQBM-RXVVDRJESA-N 1 0 333.479 4.414 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC001170281171 1045988957 /nfs/dbraw/zinc/98/89/57/1045988957.db2.gz WILZZGIZPFUCOC-HZPDHXFCSA-N 1 0 348.453 4.080 20 30 EIEDRO CN(C)c1ccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001170358876 1046013510 /nfs/dbraw/zinc/01/35/10/1046013510.db2.gz BPOCPOKLFCEEGP-UHFFFAOYSA-N 1 0 347.506 4.289 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2cc3ccc(C[NH3+])cc3n2)CC1 ZINC001170364851 1046015815 /nfs/dbraw/zinc/01/58/15/1046015815.db2.gz IFGKVUNDMIXDHZ-UHFFFAOYSA-N 1 0 330.435 4.072 20 30 EIEDRO N#CC1(c2ccccc2)CCC(N2CC[C@@H]([NH3+])c3ccccc32)CC1 ZINC001170369208 1046018607 /nfs/dbraw/zinc/01/86/07/1046018607.db2.gz UDHOGSHWFYSICS-AATLZSDMSA-N 1 0 331.463 4.301 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3ccccc3[C@H]2O)CC1 ZINC001170367389 1046018957 /nfs/dbraw/zinc/01/89/57/1046018957.db2.gz GHEJIGCDLDAAOB-ACFFJPHRSA-N 1 0 346.474 4.029 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH+]2CC(OCc3ccccc3)C2)CC1 ZINC001170387340 1046025123 /nfs/dbraw/zinc/02/51/23/1046025123.db2.gz TWRDANYRAITFSO-UHFFFAOYSA-N 1 0 346.474 4.292 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC001170389661 1046025892 /nfs/dbraw/zinc/02/58/92/1046025892.db2.gz YBHMIUKOBDGOKO-CKHPTIKVSA-N 1 0 332.451 4.018 20 30 EIEDRO CCOCC1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170395402 1046028025 /nfs/dbraw/zinc/02/80/25/1046028025.db2.gz IZSLBJGOKCCMPG-UHFFFAOYSA-N 1 0 326.484 4.139 20 30 EIEDRO CC(C)[N@H+](CCCCCO)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397425 1046029584 /nfs/dbraw/zinc/02/95/84/1046029584.db2.gz BOZPCINDJVMCDB-UHFFFAOYSA-N 1 0 328.500 4.264 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2Cc3ccc(F)cc3C2)CC1 ZINC001170374091 1046030545 /nfs/dbraw/zinc/03/05/45/1046030545.db2.gz SBAGJPQBZCSBBY-ORFBVSJDSA-N 1 0 334.438 4.287 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(=O)c2cccc(F)c2)CC1 ZINC001170373301 1046030828 /nfs/dbraw/zinc/03/08/28/1046030828.db2.gz BIXLMNJRGHAVRF-UHFFFAOYSA-N 1 0 336.410 4.002 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc3nccnc23)CC1 ZINC001170375614 1046030889 /nfs/dbraw/zinc/03/08/89/1046030889.db2.gz APEYCMHDKOJGHK-UHFFFAOYSA-N 1 0 342.446 4.124 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCc3c(O)cccc3C2)CC1 ZINC001170378686 1046034628 /nfs/dbraw/zinc/03/46/28/1046034628.db2.gz IBMOYQARKDWWPK-UHFFFAOYSA-N 1 0 332.447 4.154 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC000496754362 1046052522 /nfs/dbraw/zinc/05/25/22/1046052522.db2.gz CFMRDCRATIZQSM-GOEBONIOSA-N 1 0 329.444 4.124 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC000496754360 1046054362 /nfs/dbraw/zinc/05/43/62/1046054362.db2.gz CFMRDCRATIZQSM-GDBMZVCRSA-N 1 0 329.444 4.124 20 30 EIEDRO Clc1ccc(CSc2nncn2[NH+]=C[C@H]2CC=CCC2)cc1 ZINC000916546216 1046075289 /nfs/dbraw/zinc/07/52/89/1046075289.db2.gz GKBSFRCTTGWFFB-ZDUSSCGKSA-N 1 0 332.860 4.414 20 30 EIEDRO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000769935892 1046116031 /nfs/dbraw/zinc/11/60/31/1046116031.db2.gz DGDMLLQZHKGMIZ-KRWDZBQOSA-N 1 0 329.831 4.220 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCOc2ccccc2-c2ccccc2)cc1 ZINC000237842129 1046116063 /nfs/dbraw/zinc/11/60/63/1046116063.db2.gz RTIMWGPXOBWVDR-UHFFFAOYSA-N 1 0 328.415 4.394 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000792996091 1046121176 /nfs/dbraw/zinc/12/11/76/1046121176.db2.gz OZCLMMSAKXCSQB-CYBMUJFWSA-N 1 0 347.384 4.494 20 30 EIEDRO CCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1OC ZINC000763409094 1046137129 /nfs/dbraw/zinc/13/71/29/1046137129.db2.gz TVSRYJCDWJDVEM-JXFKEZNVSA-N 1 0 338.451 4.073 20 30 EIEDRO C=CCN(C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1)C(C)C ZINC000770099777 1046144881 /nfs/dbraw/zinc/14/48/81/1046144881.db2.gz HMDXSAXRNLIGGW-UHFFFAOYSA-N 1 0 343.515 4.389 20 30 EIEDRO CC(C)(C)OC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000162237926 1046157455 /nfs/dbraw/zinc/15/74/55/1046157455.db2.gz ONEQEXIGHLCGIW-UHFFFAOYSA-N 1 0 339.401 4.336 20 30 EIEDRO Cc1cc(C)cc(OCC[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000237844607 1046162806 /nfs/dbraw/zinc/16/28/06/1046162806.db2.gz ZZZZQHPFIDQMEE-UHFFFAOYSA-N 1 0 338.451 4.155 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)ccc1C#N ZINC000488155159 1046163877 /nfs/dbraw/zinc/16/38/77/1046163877.db2.gz XLSQORDGABXITQ-OAQYLSRUSA-N 1 0 336.435 4.125 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)s1 ZINC000770289758 1046169468 /nfs/dbraw/zinc/16/94/68/1046169468.db2.gz CHLSNTLVPFCWSD-XLIONFOSSA-N 1 0 340.492 4.488 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](CCC)[C@H](O)c2ccccc2)cc1 ZINC000793240049 1046187972 /nfs/dbraw/zinc/18/79/72/1046187972.db2.gz RSYSPFHFQPCRKV-FCHUYYIVSA-N 1 0 337.463 4.081 20 30 EIEDRO N#CC1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000123748993 1046194701 /nfs/dbraw/zinc/19/47/01/1046194701.db2.gz ZRWAUYHIHOPMNV-UHFFFAOYSA-N 1 0 328.362 4.493 20 30 EIEDRO CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+](CCC#N)Cc1ccccc1 ZINC001170433131 1046258685 /nfs/dbraw/zinc/25/86/85/1046258685.db2.gz XBKDAXMZKFHWMO-LJQANCHMSA-N 1 0 336.435 4.152 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC001168518868 1046300832 /nfs/dbraw/zinc/30/08/32/1046300832.db2.gz HWNASDSKRFNCNN-SFHVURJKSA-N 1 0 347.890 4.489 20 30 EIEDRO C=C(C)C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000125422687 1046304432 /nfs/dbraw/zinc/30/44/32/1046304432.db2.gz SVJFKPQYBMMAHD-ZDUSSCGKSA-N 1 0 328.378 4.321 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]CCc1ccc(N2CCCCC2)cc1 ZINC000916839231 1046382669 /nfs/dbraw/zinc/38/26/69/1046382669.db2.gz UDNJBMIZPZMRHT-UHFFFAOYSA-N 1 0 348.490 4.021 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@H](CC(C)C)c2ccccc2)c(C#N)c1C ZINC000192513338 1046390354 /nfs/dbraw/zinc/39/03/54/1046390354.db2.gz VYXJGXZYQHRMJE-GOSISDBHSA-N 1 0 339.439 4.084 20 30 EIEDRO N#CCCCC[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000125994042 1046414128 /nfs/dbraw/zinc/41/41/28/1046414128.db2.gz JGDRDPPWURLGBT-UHFFFAOYSA-N 1 0 331.463 4.068 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N\CC1CCN(c2cc[nH+]cc2)CC1 ZINC000771519440 1046432684 /nfs/dbraw/zinc/43/26/84/1046432684.db2.gz FGPJKKPTGZIGRY-JLPGSUDCSA-N 1 0 345.446 4.276 20 30 EIEDRO COc1ccc(C[N@H+](C)CCc2ccccc2)cc1OCCCC#N ZINC000126465520 1046487795 /nfs/dbraw/zinc/48/77/95/1046487795.db2.gz IIPXYQGVDVCWPG-UHFFFAOYSA-N 1 0 338.451 4.052 20 30 EIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000916987344 1046525337 /nfs/dbraw/zinc/52/53/37/1046525337.db2.gz RSZIGNGMCJZIKO-OAHLLOKOSA-N 1 0 343.826 4.401 20 30 EIEDRO CC1CC[NH+](C2CCC(Nc3nc(Cl)c(C#N)s3)CC2)CC1 ZINC000804568820 1046617216 /nfs/dbraw/zinc/61/72/16/1046617216.db2.gz SMKIOEXQZBPNOI-UHFFFAOYSA-N 1 0 338.908 4.123 20 30 EIEDRO C[C@@H](C#N)CN(Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000536665062 1046640410 /nfs/dbraw/zinc/64/04/10/1046640410.db2.gz OWGRDKXQFYEVGL-KRWDZBQOSA-N 1 0 345.446 4.261 20 30 EIEDRO COc1ccccc1/C=C/CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000536668532 1046643977 /nfs/dbraw/zinc/64/39/77/1046643977.db2.gz IQWPUBVYGIBIKX-ZPJRZJNGSA-N 1 0 332.447 4.480 20 30 EIEDRO C[C@@H](OC(=O)c1cccc(C[NH+]2CCCC2)c1)c1cccc(C#N)c1 ZINC000785713669 1046743620 /nfs/dbraw/zinc/74/36/20/1046743620.db2.gz IPMOWHCIRODMHH-MRXNPFEDSA-N 1 0 334.419 4.072 20 30 EIEDRO N#CCCn1cc(C[NH+]2CC3(C2)CCCCC3)c(-c2ccccc2)n1 ZINC000459598157 1046804800 /nfs/dbraw/zinc/80/48/00/1046804800.db2.gz ROEGAMACFYMQKF-UHFFFAOYSA-N 1 0 334.467 4.230 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccccc1N(C)C ZINC000536863969 1046831207 /nfs/dbraw/zinc/83/12/07/1046831207.db2.gz PPOOPVUQPHUNNX-MRXNPFEDSA-N 1 0 339.508 4.208 20 30 EIEDRO COc1cc(C[NH2+]CC(C)(C)CC#N)ccc1OCc1ccccc1 ZINC000459690000 1046858366 /nfs/dbraw/zinc/85/83/66/1046858366.db2.gz IYRNGSDXVCPUFN-UHFFFAOYSA-N 1 0 338.451 4.304 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2CCC(C(F)F)CC2)cc1OC ZINC000459701653 1046863280 /nfs/dbraw/zinc/86/32/80/1046863280.db2.gz CDMYWVHJRFLMCR-UHFFFAOYSA-N 1 0 325.399 4.174 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(N2CCCC2=O)cc1 ZINC000787025457 1046893772 /nfs/dbraw/zinc/89/37/72/1046893772.db2.gz GVQIFJBDJSXKRP-BTYIYWSLSA-N 1 0 345.446 4.023 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000537107808 1046957209 /nfs/dbraw/zinc/95/72/09/1046957209.db2.gz QCTZDDNYNYZRFZ-PMACEKPBSA-N 1 0 331.406 4.165 20 30 EIEDRO CC[C@@H]1CC([NH+]2CCC(C#N)CC2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170485787 1046964140 /nfs/dbraw/zinc/96/41/40/1046964140.db2.gz YYIYAYUHKDLCLX-IAGOWNOFSA-N 1 0 349.519 4.179 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC000537131833 1046971963 /nfs/dbraw/zinc/97/19/63/1046971963.db2.gz CWTSELQTWRJNAU-OAHLLOKOSA-N 1 0 342.405 4.217 20 30 EIEDRO C[NH+](C)[C@@H](C/N=C\c1c(O)ccc2ccccc21)c1ccc(F)cc1 ZINC000917557243 1046993483 /nfs/dbraw/zinc/99/34/83/1046993483.db2.gz CDQBYPMRADIAKM-YTLMXASBSA-N 1 0 336.410 4.406 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)s1 ZINC000537213207 1047031550 /nfs/dbraw/zinc/03/15/50/1047031550.db2.gz ZQTUVDHECYGFGT-SFHVURJKSA-N 1 0 345.899 4.200 20 30 EIEDRO CC[C@@H]1CC([N@@H+]2CCC[C@H](C#N)C2)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170491013 1047037124 /nfs/dbraw/zinc/03/71/24/1047037124.db2.gz HYVLUNLKDIZQMM-BRWVUGGUSA-N 1 0 349.519 4.179 20 30 EIEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001170491476 1047047318 /nfs/dbraw/zinc/04/73/18/1047047318.db2.gz JUUXZVAVAVPYAI-AKHDSKFASA-N 1 0 348.531 4.288 20 30 EIEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C2)C1 ZINC001170491478 1047047993 /nfs/dbraw/zinc/04/79/93/1047047993.db2.gz JUUXZVAVAVPYAI-OKYOBFRVSA-N 1 0 348.531 4.288 20 30 EIEDRO CC[NH+](CC)Cc1ccc(C(=O)OCC2CCC(C#N)CC2)cc1 ZINC000805930294 1047065289 /nfs/dbraw/zinc/06/52/89/1047065289.db2.gz IREPTWKXRUYLKR-UHFFFAOYSA-N 1 0 328.456 4.015 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000537307351 1047093300 /nfs/dbraw/zinc/09/33/00/1047093300.db2.gz KUBCOVGVTAOBAE-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO C#CCC1(C(=O)NCc2cccc(C[NH+](CC)CC)c2)CCCCC1 ZINC000788170227 1047130179 /nfs/dbraw/zinc/13/01/79/1047130179.db2.gz JKBBEEXUSNFWLX-UHFFFAOYSA-N 1 0 340.511 4.118 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)c(F)c1 ZINC000537400035 1047190014 /nfs/dbraw/zinc/19/00/14/1047190014.db2.gz ICCGKZARJACNBS-BFUOFWGJSA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1ccc(C#N)c(F)c1 ZINC000537407619 1047201512 /nfs/dbraw/zinc/20/15/12/1047201512.db2.gz SXKQVXOXYDGHTE-ZDUSSCGKSA-N 1 0 340.398 4.054 20 30 EIEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCc2ccc(Cl)nc21)C(C)C ZINC000788520424 1047213626 /nfs/dbraw/zinc/21/36/26/1047213626.db2.gz QWEDNFBJLNQPBC-IRXDYDNUSA-N 1 0 333.907 4.011 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806498923 1047272393 /nfs/dbraw/zinc/27/23/93/1047272393.db2.gz HSMFSNVHVNJORN-HTUJPFKRSA-N 1 0 337.552 4.250 20 30 EIEDRO C=CCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)C(C)C ZINC000918057811 1047307871 /nfs/dbraw/zinc/30/78/71/1047307871.db2.gz ZDOAZFORVVQLAX-KRWDZBQOSA-N 1 0 349.544 4.127 20 30 EIEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C(C)C ZINC000918063858 1047310382 /nfs/dbraw/zinc/31/03/82/1047310382.db2.gz CKHPJCVGLIFAAZ-SFHVURJKSA-N 1 0 343.515 4.167 20 30 EIEDRO C=CCN(C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000918064488 1047310917 /nfs/dbraw/zinc/31/09/17/1047310917.db2.gz SDZBJLGOZYNGOA-SFHVURJKSA-N 1 0 343.515 4.025 20 30 EIEDRO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000806619102 1047330475 /nfs/dbraw/zinc/33/04/75/1047330475.db2.gz XSKVGDNKSPBUIB-QUCCMNQESA-N 1 0 329.447 4.158 20 30 EIEDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000612095264 1047334293 /nfs/dbraw/zinc/33/42/93/1047334293.db2.gz HHGXABKGLYGNAB-GOSISDBHSA-N 1 0 345.490 4.168 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000789360898 1047408372 /nfs/dbraw/zinc/40/83/72/1047408372.db2.gz AXNSKKGRJLRVNP-MRXNPFEDSA-N 1 0 349.434 4.016 20 30 EIEDRO C=CCCCCCCCCNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000807592126 1047477481 /nfs/dbraw/zinc/47/74/81/1047477481.db2.gz MUYFESOJNHZXLN-UHFFFAOYSA-N 1 0 332.492 4.215 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)cc1 ZINC000154750148 1047500888 /nfs/dbraw/zinc/50/08/88/1047500888.db2.gz GGDLLKGBESJIPO-NRFANRHFSA-N 1 0 348.471 4.356 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000069937384 1047511909 /nfs/dbraw/zinc/51/19/09/1047511909.db2.gz JOXOZSFRZUCCBJ-HXUWFJFHSA-N 1 0 343.515 4.032 20 30 EIEDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000082131256 1047795312 /nfs/dbraw/zinc/79/53/12/1047795312.db2.gz YZRBUCXXWNPZFR-IBGZPJMESA-N 1 0 340.423 4.129 20 30 EIEDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2(CC#N)CC2)cc1 ZINC000824326625 1047854352 /nfs/dbraw/zinc/85/43/52/1047854352.db2.gz FQVPVGIYNVEYAT-UHFFFAOYSA-N 1 0 325.481 4.168 20 30 EIEDRO CC1(C)CCc2cc(C[NH2+]C3(c4cccc(C#N)c4)CC3)ccc2O1 ZINC000747923203 1047887287 /nfs/dbraw/zinc/88/72/87/1047887287.db2.gz IXIWLXWDBMSMAG-UHFFFAOYSA-N 1 0 332.447 4.441 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000814249750 1047917481 /nfs/dbraw/zinc/91/74/81/1047917481.db2.gz NCTHMCDOAWOTNB-HOTGVXAUSA-N 1 0 349.434 4.317 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)CCOCc2ccccc2)cc1 ZINC000808433334 1047942700 /nfs/dbraw/zinc/94/27/00/1047942700.db2.gz HPKLJZMQTZQRKD-QZTJIDSGSA-N 1 0 338.451 4.062 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2cscc2C(F)(F)F)cc1 ZINC000824926467 1047997888 /nfs/dbraw/zinc/99/78/88/1047997888.db2.gz OMWRSEYGGXVAKU-UHFFFAOYSA-N 1 0 325.355 4.069 20 30 EIEDRO Cc1ccc2c(C[N@@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)c[nH]c2c1 ZINC001136974880 1048007433 /nfs/dbraw/zinc/00/74/33/1048007433.db2.gz QKUHYNQDAGVJNY-HXUWFJFHSA-N 1 0 345.446 4.391 20 30 EIEDRO CSc1cc(F)c(Nc2sc3c(c2C#N)CC[NH2+]C3)cc1F ZINC001159157739 1048023781 /nfs/dbraw/zinc/02/37/81/1048023781.db2.gz PUQFDJQPYHNDFV-UHFFFAOYSA-N 1 0 337.420 4.009 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808707659 1048054188 /nfs/dbraw/zinc/05/41/88/1048054188.db2.gz UZDJWBLIGQYGEP-AWEZNQCLSA-N 1 0 329.827 4.217 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)cc1C#N ZINC000808709584 1048056052 /nfs/dbraw/zinc/05/60/52/1048056052.db2.gz XUABFTYDEMJDMJ-LBPRGKRZSA-N 1 0 330.815 4.085 20 30 EIEDRO C[C@@]1(COC(=O)CCCCCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000805889220 1048063903 /nfs/dbraw/zinc/06/39/03/1048063903.db2.gz AKSGVIHQMQIZEZ-FQEVSTJZSA-N 1 0 328.456 4.058 20 30 EIEDRO N#Cc1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c2cc[nH]c21 ZINC001170753025 1048076550 /nfs/dbraw/zinc/07/65/50/1048076550.db2.gz YCLSJGDIAQBAIC-IBGZPJMESA-N 1 0 344.462 4.159 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000814659145 1048104627 /nfs/dbraw/zinc/10/46/27/1048104627.db2.gz KUBZUZXABNKPTE-MOPGFXCFSA-N 1 0 328.843 4.398 20 30 EIEDRO C=CC[N@H+](CCc1ccccc1)Cc1ccc(Oc2ccccc2)nn1 ZINC000499053641 1048131299 /nfs/dbraw/zinc/13/12/99/1048131299.db2.gz NRZAWSTVMHRWJF-UHFFFAOYSA-N 1 0 345.446 4.500 20 30 EIEDRO C=C1CCC(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC001143678939 1048150669 /nfs/dbraw/zinc/15/06/69/1048150669.db2.gz BIUAEDNZGHJIKH-FQEVSTJZSA-N 1 0 326.484 4.076 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)[C@@H](O)c1ccccc1 ZINC000844326513 1048294469 /nfs/dbraw/zinc/29/44/69/1048294469.db2.gz GQNIWRQEMYJKDX-OALUTQOASA-N 1 0 328.843 4.059 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccnc(Br)c1 ZINC000815017696 1048297466 /nfs/dbraw/zinc/29/74/66/1048297466.db2.gz STFNJPHDZHXAFS-UHFFFAOYSA-N 1 0 344.256 4.128 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)c1O ZINC000919939507 1048321128 /nfs/dbraw/zinc/32/11/28/1048321128.db2.gz YFBWXKKNJUCPEK-SFHVURJKSA-N 1 0 342.439 4.153 20 30 EIEDRO C=CC[C@@H](C)C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001144017688 1048367404 /nfs/dbraw/zinc/36/74/04/1048367404.db2.gz MCVVVBGIKZLHAB-LJQANCHMSA-N 1 0 340.511 4.103 20 30 EIEDRO C=CCC(C)(C)C(=O)N([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001144075805 1048407622 /nfs/dbraw/zinc/40/76/22/1048407622.db2.gz WZQVXMBUGXILCH-GHBBCFCZSA-N 1 0 340.511 4.243 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)cc1 ZINC000809606056 1048414503 /nfs/dbraw/zinc/41/45/03/1048414503.db2.gz TUKLEUNMNOIGCW-GOSISDBHSA-N 1 0 342.442 4.493 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)cc1 ZINC000809607730 1048415239 /nfs/dbraw/zinc/41/52/39/1048415239.db2.gz HAQYPMUKWAHSPH-SFHVURJKSA-N 1 0 342.442 4.493 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)cc1 ZINC000809610727 1048419875 /nfs/dbraw/zinc/41/98/75/1048419875.db2.gz BNCIEAMZDNQRGH-IBGZPJMESA-N 1 0 327.374 4.437 20 30 EIEDRO C#C[C@@H](NCc1csc(COc2ccc(Cl)cc2)n1)C(C)C ZINC000809685343 1048473353 /nfs/dbraw/zinc/47/33/53/1048473353.db2.gz OLZUAEVQIFMADW-MRXNPFEDSA-N 1 0 334.872 4.123 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000809689507 1048475715 /nfs/dbraw/zinc/47/57/15/1048475715.db2.gz PJVWWPHGCQHYND-UHFFFAOYSA-N 1 0 332.787 4.103 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000809757073 1048522758 /nfs/dbraw/zinc/52/27/58/1048522758.db2.gz ZWTLOMXASXYYAO-AXAPSJFSSA-N 1 0 327.255 4.089 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](/N=C\c2cc(Cl)ccc2O)C1 ZINC000920173963 1048572288 /nfs/dbraw/zinc/57/22/88/1048572288.db2.gz HYDPHKARPWQBRI-ATMXPARFSA-N 1 0 328.843 4.300 20 30 EIEDRO CCOc1ccc(/C=N\[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(O)c1 ZINC000920174424 1048572375 /nfs/dbraw/zinc/57/23/75/1048572375.db2.gz MAZBELMETRWCPA-LMZUZTJHSA-N 1 0 338.451 4.045 20 30 EIEDRO CCCCCCC[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000920175775 1048574245 /nfs/dbraw/zinc/57/42/45/1048574245.db2.gz HQUZDQFKZFGYHJ-UHFFFAOYSA-N 1 0 341.499 4.131 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000810047950 1048608366 /nfs/dbraw/zinc/60/83/66/1048608366.db2.gz QEXCTMYEXZFIHJ-HSZRJFAPSA-N 1 0 346.474 4.457 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc(C(C)(C)C)ccc3C#N)c2c1 ZINC001171165480 1048608932 /nfs/dbraw/zinc/60/89/32/1048608932.db2.gz IPEQIVWUQFCVGY-OAHLLOKOSA-N 1 0 346.478 4.393 20 30 EIEDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc(C#N)c4[nH]ccc43)c2c1 ZINC001171168626 1048613740 /nfs/dbraw/zinc/61/37/40/1048613740.db2.gz LHHYDLBUCZNOMJ-CQSZACIVSA-N 1 0 328.419 4.182 20 30 EIEDRO C[C@H]1C[C@@H](C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC[N@@H+]1C ZINC000810114597 1048635337 /nfs/dbraw/zinc/63/53/37/1048635337.db2.gz FFGCYUCZZWFZQC-NBHGPNQESA-N 1 0 347.462 4.011 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1OC(F)(F)F ZINC001171174532 1048642075 /nfs/dbraw/zinc/64/20/75/1048642075.db2.gz AGAOMPYOXONEOK-CYBMUJFWSA-N 1 0 334.341 4.178 20 30 EIEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1[C@H](CC)CCCCCC ZINC001170598769 1048652049 /nfs/dbraw/zinc/65/20/49/1048652049.db2.gz JKGLEDMBMMYTIE-MJGOQNOKSA-N 1 0 333.520 4.271 20 30 EIEDRO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000810151814 1048657912 /nfs/dbraw/zinc/65/79/12/1048657912.db2.gz PFOCXJJXUSPTOJ-ROUUACIJSA-N 1 0 341.480 4.228 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(N2CCCC2=O)cc1 ZINC000810212741 1048682520 /nfs/dbraw/zinc/68/25/20/1048682520.db2.gz WXHJQICGWLONPF-QVKFZJNVSA-N 1 0 345.446 4.023 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(Br)nc1)c1ccncc1 ZINC000810219413 1048688761 /nfs/dbraw/zinc/68/87/61/1048688761.db2.gz RGZVVTHHEWZOMC-DOMZBBRYSA-N 1 0 332.245 4.207 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCO)c1cccc2ccccc21 ZINC001171190321 1048693817 /nfs/dbraw/zinc/69/38/17/1048693817.db2.gz RZHRDRRUUMPXAI-HXOBKFHXSA-N 1 0 344.458 4.356 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC001171193147 1048695523 /nfs/dbraw/zinc/69/55/23/1048695523.db2.gz TZIRLCWYBGYIBT-KRWDZBQOSA-N 1 0 327.431 4.341 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)c2ccccc12 ZINC001171195349 1048701715 /nfs/dbraw/zinc/70/17/15/1048701715.db2.gz RTRYLONGIUYKJF-MRXNPFEDSA-N 1 0 330.431 4.441 20 30 EIEDRO CC(C)([NH3+])CNc1ccc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001171193902 1048703366 /nfs/dbraw/zinc/70/33/66/1048703366.db2.gz GKULMDRVMYKKKI-UHFFFAOYSA-N 1 0 344.462 4.400 20 30 EIEDRO COCCC1([NH2+][C@H](C)Cc2cccc(C#N)c2)CCC(F)(F)CC1 ZINC001171199282 1048729915 /nfs/dbraw/zinc/72/99/15/1048729915.db2.gz XZCYYIASPOPWBJ-OAHLLOKOSA-N 1 0 336.426 4.063 20 30 EIEDRO C=CC[C@H]1CC[C@@H](Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)C1 ZINC000845948389 1048760921 /nfs/dbraw/zinc/76/09/21/1048760921.db2.gz DZJWJLPQVQDQDQ-PKOBYXMFSA-N 1 0 327.516 4.374 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccc(F)cc1Cl ZINC001170604237 1048768524 /nfs/dbraw/zinc/76/85/24/1048768524.db2.gz GYDVLEDJGOISJO-GFCCVEGCSA-N 1 0 345.805 4.030 20 30 EIEDRO C[C@@H]1[C@H](OC(=O)CCCCCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000816470370 1048806749 /nfs/dbraw/zinc/80/67/49/1048806749.db2.gz MQWYUASZNKRYNM-IEBWSBKVSA-N 1 0 328.456 4.057 20 30 EIEDRO C#CCCCCCC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000816456292 1048807185 /nfs/dbraw/zinc/80/71/85/1048807185.db2.gz FGHIMHLKYKDOPX-UYAOXDASSA-N 1 0 327.468 4.024 20 30 EIEDRO CCOc1ccc(/C=N\C[C@@H](c2ccccc2)[NH+](CC)CC)c(O)c1 ZINC000920943938 1048817184 /nfs/dbraw/zinc/81/71/84/1048817184.db2.gz MEPJHQLXWYXDMP-AHFVYKFHSA-N 1 0 340.467 4.293 20 30 EIEDRO COc1cccc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1O ZINC000846153962 1048824464 /nfs/dbraw/zinc/82/44/64/1048824464.db2.gz KQYLORLTTJJWTM-CYBMUJFWSA-N 1 0 349.352 4.122 20 30 EIEDRO C[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)c1ccc(OCC#N)cc1 ZINC000846217262 1048842512 /nfs/dbraw/zinc/84/25/12/1048842512.db2.gz YHIJOBQMYPANCL-JSGCOSHPSA-N 1 0 327.255 4.214 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001171221289 1048856384 /nfs/dbraw/zinc/85/63/84/1048856384.db2.gz KBMGNSFHKBPBKB-OXQOHEQNSA-N 1 0 337.492 4.141 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\Cc2ccc(-n3ccnc3)cc2)c(O)c1 ZINC000921138547 1048856966 /nfs/dbraw/zinc/85/69/66/1048856966.db2.gz RDVROMIHYMGRON-HAHDFKILSA-N 1 0 348.450 4.043 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(-n3ccnc3)cc2)c(O)c1 ZINC000921138548 1048857265 /nfs/dbraw/zinc/85/72/65/1048857265.db2.gz RDVROMIHYMGRON-HZHRSRAPSA-N 1 0 348.450 4.043 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1ccc(Br)cc1 ZINC001171221934 1048857940 /nfs/dbraw/zinc/85/79/40/1048857940.db2.gz XJYCTVBBYMKNAR-CQSZACIVSA-N 1 0 343.268 4.384 20 30 EIEDRO C=CCC(CC=C)C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC000816764780 1048859457 /nfs/dbraw/zinc/85/94/57/1048859457.db2.gz DLOLIAFLYRNUQD-UHFFFAOYSA-N 1 0 339.439 4.131 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC001171224591 1048863049 /nfs/dbraw/zinc/86/30/49/1048863049.db2.gz TYRJESGZFGAMPX-SFHVURJKSA-N 1 0 346.474 4.053 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1nc(C2CC[NH2+]CC2)c2ccccc21 ZINC001171229726 1048868362 /nfs/dbraw/zinc/86/83/62/1048868362.db2.gz QLECECNNVNLEHJ-MRXNPFEDSA-N 1 0 344.462 4.179 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)N1CCOC[C@@H]1c1ccccc1Cl ZINC001171230688 1048869725 /nfs/dbraw/zinc/86/97/25/1048869725.db2.gz GCAYSIJQBRTYEI-FOIQADDNSA-N 1 0 340.854 4.216 20 30 EIEDRO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230242 1048870633 /nfs/dbraw/zinc/87/06/33/1048870633.db2.gz CACMRGGSZLPOTF-LAUBAEHRSA-N 1 0 334.463 4.473 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC001171230527 1048872064 /nfs/dbraw/zinc/87/20/64/1048872064.db2.gz VSQGCIYTIFZKHO-SFHVURJKSA-N 1 0 346.474 4.349 20 30 EIEDRO COc1cccc(C2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171232807 1048872321 /nfs/dbraw/zinc/87/23/21/1048872321.db2.gz WSCMDRTZJPANEY-QGZVFWFLSA-N 1 0 334.463 4.377 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(n2cnc3ccccc32)CC1 ZINC001171234067 1048875667 /nfs/dbraw/zinc/87/56/67/1048875667.db2.gz JYOJJXITNLBVQV-KRWDZBQOSA-N 1 0 344.462 4.176 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(Br)cc3C2)s1 ZINC001170855956 1048905714 /nfs/dbraw/zinc/90/57/14/1048905714.db2.gz GOWLUCQSGKQFQT-AWEZNQCLSA-N 1 0 347.281 4.029 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(O)c(OC)c1 ZINC000817366056 1048957164 /nfs/dbraw/zinc/95/71/64/1048957164.db2.gz TUMAOHHDCAEMMM-AWEZNQCLSA-N 1 0 343.389 4.294 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817413142 1048963172 /nfs/dbraw/zinc/96/31/72/1048963172.db2.gz URNKJOLRMXPEMF-MRXNPFEDSA-N 1 0 339.405 4.201 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C[C@@H](O)c3ccc(Cl)c(F)c3)CCC2)cc1 ZINC000847058825 1048991202 /nfs/dbraw/zinc/99/12/02/1048991202.db2.gz NJVARABWZMARQS-GOSISDBHSA-N 1 0 344.817 4.053 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc2c(c1)CCCO2 ZINC000772960692 1048997984 /nfs/dbraw/zinc/99/79/84/1048997984.db2.gz WRNGMHLSLAAILW-HXUWFJFHSA-N 1 0 336.435 4.155 20 30 EIEDRO N#CC1(Nc2ccc3sccc3n2)CC[NH+](Cc2ccccc2)CC1 ZINC001171274916 1049010103 /nfs/dbraw/zinc/01/01/03/1049010103.db2.gz POOMHUJKKMLRJH-UHFFFAOYSA-N 1 0 348.475 4.267 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C2(OC)CCCCC2)c1 ZINC000817580943 1049011626 /nfs/dbraw/zinc/01/16/26/1049011626.db2.gz LUCRQHSDKFWNOR-WMZOPIPTSA-N 1 0 330.472 4.195 20 30 EIEDRO Cc1ccc([C@@H]2CSCC[N@@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000282142967 1049038084 /nfs/dbraw/zinc/03/80/84/1049038084.db2.gz ZQURIQVGRYYZDX-IBGZPJMESA-N 1 0 344.524 4.186 20 30 EIEDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000609385964 1049043761 /nfs/dbraw/zinc/04/37/61/1049043761.db2.gz ITWMFGNWKCSQAM-NRFANRHFSA-N 1 0 333.479 4.188 20 30 EIEDRO CC(C)c1ccc([C@@H](N)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000817954553 1049067043 /nfs/dbraw/zinc/06/70/43/1049067043.db2.gz YNGYNOCMEHWTIY-KKSFZXQISA-N 1 0 337.467 4.063 20 30 EIEDRO Cc1ccc(C)c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000609466633 1049075294 /nfs/dbraw/zinc/07/52/94/1049075294.db2.gz WUEKPVNOAAXSOG-LJQANCHMSA-N 1 0 337.442 4.073 20 30 EIEDRO CC(C)C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000811482482 1049079406 /nfs/dbraw/zinc/07/94/06/1049079406.db2.gz YAFLPLPVWAFHME-MAUKXSAKSA-N 1 0 345.487 4.148 20 30 EIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000763453521 1049081861 /nfs/dbraw/zinc/08/18/61/1049081861.db2.gz NYVGADMSUWAZKL-ZWKOTPCHSA-N 1 0 348.874 4.022 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000811491821 1049086573 /nfs/dbraw/zinc/08/65/73/1049086573.db2.gz RGFJKZSUXPACFJ-ZDUSSCGKSA-N 1 0 347.384 4.494 20 30 EIEDRO Cc1ccc([C@@H](CNc2ccc(C#N)c(Cl)c2)[NH+]2CCCC2)o1 ZINC000609507628 1049122194 /nfs/dbraw/zinc/12/21/94/1049122194.db2.gz SWUZRQFFHVRAJB-QGZVFWFLSA-N 1 0 329.831 4.362 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCCC2(C)C)ccc1OC ZINC000772980436 1049144926 /nfs/dbraw/zinc/14/49/26/1049144926.db2.gz OKMUIVRKTOKSFE-QFBILLFUSA-N 1 0 330.472 4.435 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1 ZINC000772982686 1049170396 /nfs/dbraw/zinc/17/03/96/1049170396.db2.gz FEWVZCAGMRDCOH-MOPGFXCFSA-N 1 0 340.854 4.278 20 30 EIEDRO CCn1c2ccccc2nc1[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000127948100 1049186388 /nfs/dbraw/zinc/18/63/88/1049186388.db2.gz GYWDFPGVKUCCQC-GENZYMQKSA-N 1 0 344.462 4.331 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)c1 ZINC001136174239 1049232367 /nfs/dbraw/zinc/23/23/67/1049232367.db2.gz GRXMVUFGFKAIPE-UHFFFAOYSA-N 1 0 346.434 4.134 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000819065307 1049256454 /nfs/dbraw/zinc/25/64/54/1049256454.db2.gz HMDVLEZYHQYWPJ-DLBZAZTESA-N 1 0 347.245 4.176 20 30 EIEDRO C=CC[C@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccncc1 ZINC000819075065 1049259575 /nfs/dbraw/zinc/25/95/75/1049259575.db2.gz ZRXUJZWPDHHCFY-IRXDYDNUSA-N 1 0 336.357 4.041 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)nc2)c1 ZINC000772986051 1049268733 /nfs/dbraw/zinc/26/87/33/1049268733.db2.gz ZDWYDMQTNFOHLK-XJKSGUPXSA-N 1 0 329.831 4.267 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](CC)c1ccc2c(c1)CCCO2 ZINC000772987584 1049271393 /nfs/dbraw/zinc/27/13/93/1049271393.db2.gz LFLDCNKHTFSZDJ-HXUWFJFHSA-N 1 0 335.447 4.265 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001136222901 1049314728 /nfs/dbraw/zinc/31/47/28/1049314728.db2.gz ZOAFXBSTKODUKW-UWJYYQICSA-N 1 0 328.500 4.137 20 30 EIEDRO Cc1ccccc1C[N@H+]1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822878 1049343923 /nfs/dbraw/zinc/34/39/23/1049343923.db2.gz OEOMTAKMLMAJSL-LJQANCHMSA-N 1 0 333.479 4.136 20 30 EIEDRO Cc1ccccc1C[N@H+]1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609822877 1049344403 /nfs/dbraw/zinc/34/44/03/1049344403.db2.gz OEOMTAKMLMAJSL-IBGZPJMESA-N 1 0 333.479 4.136 20 30 EIEDRO C[C@@H](C#N)c1cccc(C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)c1 ZINC001148618868 1049346724 /nfs/dbraw/zinc/34/67/24/1049346724.db2.gz SFBDNYIDOACAAF-INIZCTEOSA-N 1 0 347.462 4.375 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H](C)C(C)C ZINC000609848427 1049355923 /nfs/dbraw/zinc/35/59/23/1049355923.db2.gz IXNAJBOYRHIFLJ-AWEZNQCLSA-N 1 0 347.528 4.194 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000195632256 1049375520 /nfs/dbraw/zinc/37/55/20/1049375520.db2.gz ODSUHTMSQCSFQN-UHFFFAOYSA-N 1 0 339.870 4.331 20 30 EIEDRO C[C@H](CNc1cc(Cl)ccc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000609891572 1049383859 /nfs/dbraw/zinc/38/38/59/1049383859.db2.gz IIHKCUNIOVHZRQ-GFCCVEGCSA-N 1 0 331.872 4.132 20 30 EIEDRO C[C@@H]1CCC[N@H+](CCNc2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000195667345 1049486763 /nfs/dbraw/zinc/48/67/63/1049486763.db2.gz NLUPEKUKSIBZPI-GFCCVEGCSA-N 1 0 346.837 4.043 20 30 EIEDRO C=C(C)C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000348206496 1049494326 /nfs/dbraw/zinc/49/43/26/1049494326.db2.gz PSNLFDMBXKHUJI-UHFFFAOYSA-N 1 0 339.464 4.027 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000348203395 1049495951 /nfs/dbraw/zinc/49/59/51/1049495951.db2.gz CTDUNRYYWGJZLK-VQIMIIECSA-N 1 0 328.843 4.028 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2OC2CCC2)cc1 ZINC000772998492 1049501382 /nfs/dbraw/zinc/50/13/82/1049501382.db2.gz KSLIENALAQXEAW-QGZVFWFLSA-N 1 0 335.447 4.481 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1OC ZINC000136725921 1049516558 /nfs/dbraw/zinc/51/65/58/1049516558.db2.gz JDTCECFLPATKAX-GOSISDBHSA-N 1 0 345.483 4.232 20 30 EIEDRO C=C(Cl)C[NH2+][C@H](CCCOC)c1ccc(Br)cc1 ZINC000773005785 1049517513 /nfs/dbraw/zinc/51/75/13/1049517513.db2.gz UCFNCMHJSXHDRN-CQSZACIVSA-N 1 0 332.669 4.259 20 30 EIEDRO C#CCSCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000773010119 1049524376 /nfs/dbraw/zinc/52/43/76/1049524376.db2.gz HRJPLOFLKDEXQR-HNNXBMFYSA-N 1 0 346.496 4.283 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)Nc1cc(N)c(C(F)(F)F)c[nH+]1 ZINC001171370709 1049527442 /nfs/dbraw/zinc/52/74/42/1049527442.db2.gz YTFDJIVPJIVJMK-NSHDSACASA-N 1 0 337.345 4.421 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000773029106 1049538469 /nfs/dbraw/zinc/53/84/69/1049538469.db2.gz BKJGDFFBMVEWDD-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000610132798 1049556073 /nfs/dbraw/zinc/55/60/73/1049556073.db2.gz HVMCBPWYEAYONN-KRWDZBQOSA-N 1 0 338.451 4.256 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c(Cl)c2)cc1 ZINC000773069020 1049564681 /nfs/dbraw/zinc/56/46/81/1049564681.db2.gz PYTBBRHSSJRVPJ-CQSZACIVSA-N 1 0 329.827 4.211 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)cc1C#N ZINC000773073780 1049566921 /nfs/dbraw/zinc/56/69/21/1049566921.db2.gz FOSBBBKUXIXFPU-ZDUSSCGKSA-N 1 0 346.377 4.328 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2OC)cc1C#N ZINC000773077281 1049566989 /nfs/dbraw/zinc/56/69/89/1049566989.db2.gz QCFCTFXGPSLKHP-GFCCVEGCSA-N 1 0 330.815 4.080 20 30 EIEDRO C#CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000773115695 1049586869 /nfs/dbraw/zinc/58/68/69/1049586869.db2.gz OENTVBMBRDTOCX-VJBMBRPKSA-N 1 0 332.491 4.394 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1sc(CCOC)nc1C)c1ccccc1 ZINC000773116165 1049589265 /nfs/dbraw/zinc/58/92/65/1049589265.db2.gz QAFKXJGPAYVGPF-WMLDXEAASA-N 1 0 328.481 4.056 20 30 EIEDRO CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853231 1049614782 /nfs/dbraw/zinc/61/47/82/1049614782.db2.gz DANIBDFGYIEYEC-OXQOHEQNSA-N 1 0 327.855 4.136 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCO[C@@H](C)c2ccccc2)cc1 ZINC000237696037 1049711837 /nfs/dbraw/zinc/71/18/37/1049711837.db2.gz ABUSNIFONZEMPO-ROUUACIJSA-N 1 0 338.451 4.235 20 30 EIEDRO C[C@@H](OCCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccccc1 ZINC000237696063 1049713834 /nfs/dbraw/zinc/71/38/34/1049713834.db2.gz ABUSNIFONZEMPO-ZWKOTPCHSA-N 1 0 338.451 4.235 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCSc2ccccc2)cc1 ZINC000237696382 1049716171 /nfs/dbraw/zinc/71/61/71/1049716171.db2.gz SYWFRCMCLNGNLT-INIZCTEOSA-N 1 0 326.465 4.249 20 30 EIEDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(C#N)cc1 ZINC000179727572 1049732749 /nfs/dbraw/zinc/73/27/49/1049732749.db2.gz IXYXARYCQVHKHQ-SPLOXXLWSA-N 1 0 334.419 4.131 20 30 EIEDRO C=CCCCCC[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001171544992 1049736184 /nfs/dbraw/zinc/73/61/84/1049736184.db2.gz NEQCGGOERAERPX-LJQANCHMSA-N 1 0 346.490 4.290 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC(C)(C)S)C[C@H]1C(C)(C)C ZINC001171589191 1049751550 /nfs/dbraw/zinc/75/15/50/1049751550.db2.gz LFDMLEXOAFUWJD-KGLIPLIRSA-N 1 0 344.565 4.099 20 30 EIEDRO CCCC1(C[NH2+][C@@H](CC)CC#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000813338233 1049754171 /nfs/dbraw/zinc/75/41/71/1049754171.db2.gz YCRVJOFSLVHGQT-INIZCTEOSA-N 1 0 337.508 4.086 20 30 EIEDRO Cc1cccc2c1CC[C@@H]([NH+]1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001171565898 1049758941 /nfs/dbraw/zinc/75/89/41/1049758941.db2.gz SNCKJIYHMYJWLU-OAQYLSRUSA-N 1 0 330.475 4.410 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001171615975 1049767181 /nfs/dbraw/zinc/76/71/81/1049767181.db2.gz RRLBYXCLIKGDIK-LJQANCHMSA-N 1 0 332.463 4.071 20 30 EIEDRO C[NH+]1CCC(CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 ZINC000813408618 1049769635 /nfs/dbraw/zinc/76/96/35/1049769635.db2.gz AHYDZEDNIXBLBL-OAQYLSRUSA-N 1 0 347.462 4.012 20 30 EIEDRO C#CC(CC)(CC)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171829794 1049804095 /nfs/dbraw/zinc/80/40/95/1049804095.db2.gz OFMWNFBELNCSQC-INIZCTEOSA-N 1 0 334.504 4.090 20 30 EIEDRO Cc1cc(C(C)(C)C)cc(C)c1Cc1noc([C@@H](N)CCCC#N)n1 ZINC000822901509 1049806964 /nfs/dbraw/zinc/80/69/64/1049806964.db2.gz YDJYIDNIUBSBLP-KRWDZBQOSA-N 1 0 340.471 4.268 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc2c(s1)CCCC2)C(C)C ZINC001136650113 1049811708 /nfs/dbraw/zinc/81/17/08/1049811708.db2.gz PXIQODIBUQYIHD-KRWDZBQOSA-N 1 0 346.540 4.055 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3n2C)C1 ZINC001171847073 1049812677 /nfs/dbraw/zinc/81/26/77/1049812677.db2.gz IJBMDYPSFMHHHV-CYBMUJFWSA-N 1 0 348.288 4.124 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)s1 ZINC000813782500 1049815833 /nfs/dbraw/zinc/81/58/33/1049815833.db2.gz CSJGNFZHZCLYEY-UXHICEINSA-N 1 0 334.444 4.184 20 30 EIEDRO CC(C)(C)OC(=O)C1CCC([N@H+](CCC#N)Cc2ccccc2)CC1 ZINC001171921148 1049817337 /nfs/dbraw/zinc/81/73/37/1049817337.db2.gz BEWVRMMCEVVDQI-UHFFFAOYSA-N 1 0 342.483 4.303 20 30 EIEDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001171899735 1049817708 /nfs/dbraw/zinc/81/77/08/1049817708.db2.gz BOZNTUXCXPDYKD-FQEVSTJZSA-N 1 0 347.462 4.341 20 30 EIEDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1 ZINC001171914961 1049819246 /nfs/dbraw/zinc/81/92/46/1049819246.db2.gz AMLQDMQPOCZCKB-GSQSYGFSSA-N 1 0 340.467 4.036 20 30 EIEDRO C=C(CC)C[NH+]1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001171916989 1049819792 /nfs/dbraw/zinc/81/97/92/1049819792.db2.gz RVNLUMHJPJIJFG-SFHVURJKSA-N 1 0 336.520 4.312 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC001171920644 1049820065 /nfs/dbraw/zinc/82/00/65/1049820065.db2.gz KKHFVTLCMYICHE-WBVHZDCISA-N 1 0 341.455 4.278 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Br)c(F)c1 ZINC001172302240 1049872870 /nfs/dbraw/zinc/87/28/70/1049872870.db2.gz HDLHVRWZTVLKID-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC001172301842 1049873376 /nfs/dbraw/zinc/87/33/76/1049873376.db2.gz YBDPCSUBBWTTIJ-YVEFUNNKSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001172305226 1049873828 /nfs/dbraw/zinc/87/38/28/1049873828.db2.gz CKXXQFSKGWCBJV-KRWDZBQOSA-N 1 0 329.447 4.241 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccc(Br)cc1 ZINC001172304878 1049873971 /nfs/dbraw/zinc/87/39/71/1049873971.db2.gz AVSYTWBKBJUODQ-AWEZNQCLSA-N 1 0 343.268 4.384 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ncccc1Cl)C1CC1 ZINC001172304024 1049874022 /nfs/dbraw/zinc/87/40/22/1049874022.db2.gz GZQVTVMFCPYWPP-UGSOOPFHSA-N 1 0 325.843 4.279 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1(C)CCN(Cc2ccccc2)CC1 ZINC001172305906 1049874094 /nfs/dbraw/zinc/87/40/94/1049874094.db2.gz VNNAPKQLODWMMS-IBGZPJMESA-N 1 0 347.506 4.134 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC001172308016 1049874718 /nfs/dbraw/zinc/87/47/18/1049874718.db2.gz SKHBYMILQXJMDP-INIZCTEOSA-N 1 0 338.426 4.172 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001172310691 1049874754 /nfs/dbraw/zinc/87/47/54/1049874754.db2.gz HZCLOQLUEUIZRH-QRWLVFNGSA-N 1 0 340.467 4.495 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001172309389 1049874917 /nfs/dbraw/zinc/87/49/17/1049874917.db2.gz SNDTTXJDVAUFJZ-ZINXYGQCSA-N 1 0 338.495 4.016 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001172311568 1049875361 /nfs/dbraw/zinc/87/53/61/1049875361.db2.gz UZBFVJKYUAJDBR-QGZVFWFLSA-N 1 0 329.447 4.241 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(F)cc3OCC#N)CC2)C1 ZINC000180321931 1049879841 /nfs/dbraw/zinc/87/98/41/1049879841.db2.gz FJYGEAARYNUBME-QAPCUYQASA-N 1 0 345.462 4.183 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)n1cc(CC[NH3+])c2cc(Cl)ccc21 ZINC001172292203 1049881062 /nfs/dbraw/zinc/88/10/62/1049881062.db2.gz DTZQKEPNIZVEKC-AWEZNQCLSA-N 1 0 337.854 4.471 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(F)c(Br)c1 ZINC001172291798 1049881089 /nfs/dbraw/zinc/88/10/89/1049881089.db2.gz LFYSCOOABAOTNC-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)N(CC[NH3+])c1cccc2ccccc21 ZINC001172293439 1049881791 /nfs/dbraw/zinc/88/17/91/1049881791.db2.gz WSFNHJWMGMYFOJ-KRWDZBQOSA-N 1 0 329.447 4.108 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000823866841 1049882432 /nfs/dbraw/zinc/88/24/32/1049882432.db2.gz QEGWIGLYVQPJBK-PCKAHOCUSA-N 1 0 327.255 4.089 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1cncc(Cl)c1)C1CC1 ZINC001172299434 1049882624 /nfs/dbraw/zinc/88/26/24/1049882624.db2.gz KNUIJLYVULMNMI-DJJJIMSYSA-N 1 0 325.843 4.279 20 30 EIEDRO CCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC001171035446 1049885742 /nfs/dbraw/zinc/88/57/42/1049885742.db2.gz BIGSTFQZGDOFHT-PXAZEXFGSA-N 1 0 333.863 4.097 20 30 EIEDRO COc1cc(C#N)ccc1OC1CC[NH+]([C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172378892 1049885875 /nfs/dbraw/zinc/88/58/75/1049885875.db2.gz MXVPUQDRKBEXID-JFIYKMOQSA-N 1 0 342.483 4.235 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)NC(C)C)CC1 ZINC001172349322 1049891383 /nfs/dbraw/zinc/89/13/83/1049891383.db2.gz ADYFYITXPTXIQS-QGZVFWFLSA-N 1 0 325.541 4.298 20 30 EIEDRO C=C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)c1ccccc1 ZINC001136812371 1049894555 /nfs/dbraw/zinc/89/45/55/1049894555.db2.gz CYDKLVVAWDBKCF-SBHAEUEKSA-N 1 0 340.511 4.069 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001172359111 1049895380 /nfs/dbraw/zinc/89/53/80/1049895380.db2.gz ULKVMDWUGYBKEJ-AWEZNQCLSA-N 1 0 336.442 4.268 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001172358670 1049895725 /nfs/dbraw/zinc/89/57/25/1049895725.db2.gz SDIOHVFIZVCWOI-MSOLQXFVSA-N 1 0 335.536 4.495 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)CC1 ZINC001172476114 1049908691 /nfs/dbraw/zinc/90/86/91/1049908691.db2.gz HFRJUUPQKLSHNT-LPHOPBHVSA-N 1 0 337.508 4.086 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)Cc2ccsc21 ZINC001172478864 1049910498 /nfs/dbraw/zinc/91/04/98/1049910498.db2.gz FFHPMFJXUQAPFV-UKRRQHHQSA-N 1 0 349.500 4.212 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)c1ccc(OCC#N)cc1 ZINC000180540562 1049912132 /nfs/dbraw/zinc/91/21/32/1049912132.db2.gz ZKNXDECVMHHOKF-IRXDYDNUSA-N 1 0 346.434 4.186 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(Cc2cccc(Cl)c2F)CC1 ZINC001172488694 1049920776 /nfs/dbraw/zinc/92/07/76/1049920776.db2.gz NTDAIBVKUNMILB-AWEZNQCLSA-N 1 0 337.870 4.115 20 30 EIEDRO C[C@H](CCCC#N)n1cc(CC[NH3+])c2ccc(OC(F)(F)F)cc21 ZINC001172488556 1049921048 /nfs/dbraw/zinc/92/10/48/1049921048.db2.gz LSGCMLAHKFGACS-GFCCVEGCSA-N 1 0 339.361 4.296 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)CC1 ZINC001172495741 1049921389 /nfs/dbraw/zinc/92/13/89/1049921389.db2.gz HHQXDRGDPNKADN-PXNSSMCTSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CCc1ccc(CCC(=O)OC(C)(C)C)cc1 ZINC001172493143 1049921490 /nfs/dbraw/zinc/92/14/90/1049921490.db2.gz XGVYSNWHPUBUGX-KRWDZBQOSA-N 1 0 344.499 4.175 20 30 EIEDRO CCC1(C[NH2+][C@@H](C)CCCC#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC001172492710 1049921780 /nfs/dbraw/zinc/92/17/80/1049921780.db2.gz NVPLYDGEVVZKMS-INIZCTEOSA-N 1 0 337.508 4.086 20 30 EIEDRO Cc1cncc(COC[C@@]23CCC[C@@H]2C[N@@H+]([C@H](C)CCCC#N)C3)c1 ZINC001172495125 1049921934 /nfs/dbraw/zinc/92/19/34/1049921934.db2.gz MVWJPSMVQCZKLO-NRSPTQNISA-N 1 0 341.499 4.091 20 30 EIEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001172496213 1049921956 /nfs/dbraw/zinc/92/19/56/1049921956.db2.gz KVWJJZLOUWANDZ-FXAWDEMLSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@H](c1ccccc1)[N@@H+]([C@@H](C)CCCC#N)[C@@H]1CN2CCC1CC2 ZINC001172497727 1049922154 /nfs/dbraw/zinc/92/21/54/1049922154.db2.gz DUJCZYQDQQLPOX-WAOWUJCRSA-N 1 0 325.500 4.226 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+]CCC1CCS(=O)(=O)CC1 ZINC001172501839 1049922690 /nfs/dbraw/zinc/92/26/90/1049922690.db2.gz KZSMLNSJELHFLW-SFHVURJKSA-N 1 0 331.566 4.320 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH+]1CCC(OCC(=O)NCC)CC1 ZINC001172501526 1049922713 /nfs/dbraw/zinc/92/27/13/1049922713.db2.gz IFAFHPQPDRJHRI-SFHVURJKSA-N 1 0 340.552 4.133 20 30 EIEDRO CC(C)CN1c2ccccc2[C@@H]2C[N@H+]([C@@H](C)CCCC#N)CC[C@@H]21 ZINC001172498374 1049922821 /nfs/dbraw/zinc/92/28/21/1049922821.db2.gz KTSIKRLWNGOPHY-CUWPLCDZSA-N 1 0 325.500 4.403 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC001172502375 1049922855 /nfs/dbraw/zinc/92/28/55/1049922855.db2.gz JBUBAUIJNWKPMI-KRWDZBQOSA-N 1 0 325.541 4.251 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001172499202 1049923274 /nfs/dbraw/zinc/92/32/74/1049923274.db2.gz BWSJVFUORUXIBF-SJLPKXTDSA-N 1 0 349.519 4.180 20 30 EIEDRO CCCCCCCC[C@H](CC)NC1(C(=O)OCC)CC[NH+](C)CC1 ZINC001172503255 1049923787 /nfs/dbraw/zinc/92/37/87/1049923787.db2.gz PVPCEIJDQJLEMB-SFHVURJKSA-N 1 0 340.552 4.133 20 30 EIEDRO CCCCCCCC[C@H](CC)[N@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172505879 1049924328 /nfs/dbraw/zinc/92/43/28/1049924328.db2.gz WMOWHEFGMLGWAK-OALUTQOASA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+]Cc1ccnc(OCCOC)n1 ZINC001172503947 1049924395 /nfs/dbraw/zinc/92/43/95/1049924395.db2.gz UPPAMWMHRXNIDV-KRWDZBQOSA-N 1 0 337.508 4.121 20 30 EIEDRO C[C@H](CCCC#N)[N@H+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172508447 1049925545 /nfs/dbraw/zinc/92/55/45/1049925545.db2.gz DDJYPRCEHMMZOK-MRXNPFEDSA-N 1 0 349.519 4.323 20 30 EIEDRO C[C@H](CCCC#N)[N@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001172510103 1049925936 /nfs/dbraw/zinc/92/59/36/1049925936.db2.gz VNWWEPOELDPPLF-KLAILNCOSA-N 1 0 337.508 4.179 20 30 EIEDRO C[C@@H](CCCC#N)[N@H+](C1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172508446 1049926019 /nfs/dbraw/zinc/92/60/19/1049926019.db2.gz DDJYPRCEHMMZOK-INIZCTEOSA-N 1 0 349.519 4.323 20 30 EIEDRO CCCC[C@@H]1C[C@H]([N@H+](CC)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172652580 1049955798 /nfs/dbraw/zinc/95/57/98/1049955798.db2.gz YDACMVGABPTHHP-IAGOWNOFSA-N 1 0 337.508 4.180 20 30 EIEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001172729078 1049967991 /nfs/dbraw/zinc/96/79/91/1049967991.db2.gz PAERWZDUDXNIMQ-CTNGQTDRSA-N 1 0 333.516 4.316 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc(OCc2ccccn2)c1 ZINC000248717697 1050074013 /nfs/dbraw/zinc/07/40/13/1050074013.db2.gz CAXRAPANJHMSQR-YQVWRLOYSA-N 1 0 335.451 4.394 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)C1 ZINC000248791646 1050077751 /nfs/dbraw/zinc/07/77/51/1050077751.db2.gz IURPASFYKTWUNQ-AYOQOUSVSA-N 1 0 331.891 4.149 20 30 EIEDRO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000248776386 1050078025 /nfs/dbraw/zinc/07/80/25/1050078025.db2.gz HOYVDGQTOURWFN-MDUILUSMSA-N 1 0 349.881 4.286 20 30 EIEDRO C=CC[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000617777306 1050102488 /nfs/dbraw/zinc/10/24/88/1050102488.db2.gz MBXZAXDNBDQFAX-SFHVURJKSA-N 1 0 326.484 4.101 20 30 EIEDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N2CCCC2)c1 ZINC000181401449 1050115858 /nfs/dbraw/zinc/11/58/58/1050115858.db2.gz GNJGLWZHXUWMGV-HTAPYJJXSA-N 1 0 349.478 4.055 20 30 EIEDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N2CCCC2)cc1 ZINC000181407944 1050117030 /nfs/dbraw/zinc/11/70/30/1050117030.db2.gz LYZPUJZXYIIEMZ-VGOFRKELSA-N 1 0 349.478 4.055 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccsc1 ZINC000181491122 1050148753 /nfs/dbraw/zinc/14/87/53/1050148753.db2.gz TZWSWISKZUVILU-KXBFYZLASA-N 1 0 327.497 4.353 20 30 EIEDRO CC(C)[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)[NH+]1CCCCCC1 ZINC001177209307 1050160964 /nfs/dbraw/zinc/16/09/64/1050160964.db2.gz LQMZZXHRSCWIBV-OAQYLSRUSA-N 1 0 339.527 4.232 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC001177180631 1050164336 /nfs/dbraw/zinc/16/43/36/1050164336.db2.gz BIGJIPUEURHVRH-MBOZVWFJSA-N 1 0 348.918 4.048 20 30 EIEDRO C[C@H]([NH2+]CCCC(=O)Nc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000181604382 1050251248 /nfs/dbraw/zinc/25/12/48/1050251248.db2.gz XHXLYHZFTFLIDM-AWEZNQCLSA-N 1 0 341.842 4.281 20 30 EIEDRO CC(C)C1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172982331 1050252351 /nfs/dbraw/zinc/25/23/51/1050252351.db2.gz XCOARKWDQODUGW-FOIPXRHGSA-N 1 0 349.519 4.082 20 30 EIEDRO CCCC[NH+](CCCC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172984415 1050252780 /nfs/dbraw/zinc/25/27/80/1050252780.db2.gz KZUBJXHJWDGYLS-SJORKVTESA-N 1 0 337.508 4.180 20 30 EIEDRO CCCC1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172980741 1050254810 /nfs/dbraw/zinc/25/48/10/1050254810.db2.gz FWYKUQDNZALEDV-HIEASXQVSA-N 1 0 349.519 4.227 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]CC#Cc1ccccc1 ZINC001173080782 1050294373 /nfs/dbraw/zinc/29/43/73/1050294373.db2.gz WDEZMROIDQRIHM-HNNXBMFYSA-N 1 0 333.353 4.158 20 30 EIEDRO CCCOC1CCC([NH+]2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC001173100318 1050301971 /nfs/dbraw/zinc/30/19/71/1050301971.db2.gz IFDIBTRREWKIFV-UHFFFAOYSA-N 1 0 342.483 4.139 20 30 EIEDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Nc1ccccc1 ZINC000181719367 1050311173 /nfs/dbraw/zinc/31/11/73/1050311173.db2.gz UTAWVVWLNZDESW-UTKZUKDTSA-N 1 0 337.467 4.376 20 30 EIEDRO C=CC[C@@H]([NH2+]Cc1ccc(OCCC)c(OC)c1)c1ccncc1 ZINC001177886105 1050319523 /nfs/dbraw/zinc/31/95/23/1050319523.db2.gz XSSAWQARLKDLCE-GOSISDBHSA-N 1 0 326.440 4.286 20 30 EIEDRO COC(=O)C(C)(C)[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccc1 ZINC000618302227 1050339544 /nfs/dbraw/zinc/33/95/44/1050339544.db2.gz IDJCEPGLGGBJOE-KRWDZBQOSA-N 1 0 330.472 4.237 20 30 EIEDRO C[C@@H](CC(c1ccccc1)c1ccccc1)NC1(C#N)CC[NH+](C)CC1 ZINC001173215253 1050347768 /nfs/dbraw/zinc/34/77/68/1050347768.db2.gz OVQZSUFWSKIDFF-IBGZPJMESA-N 1 0 347.506 4.175 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1F)c1ccc(OCC#N)cc1 ZINC000181838538 1050347819 /nfs/dbraw/zinc/34/78/19/1050347819.db2.gz ULTIAVAAZCLHTN-ZIAGYGMSSA-N 1 0 330.378 4.321 20 30 EIEDRO C[C@H](CC(c1ccccc1)c1ccccc1)NC1(C#N)CC[NH+](C)CC1 ZINC001173215254 1050349900 /nfs/dbraw/zinc/34/99/00/1050349900.db2.gz OVQZSUFWSKIDFF-LJQANCHMSA-N 1 0 347.506 4.175 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181862787 1050354150 /nfs/dbraw/zinc/35/41/50/1050354150.db2.gz RMWRXKVJSNAFRO-MRXNPFEDSA-N 1 0 335.451 4.018 20 30 EIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)Oc1cccc(F)c1 ZINC000181874336 1050367871 /nfs/dbraw/zinc/36/78/71/1050367871.db2.gz FQYCJRYOFMBBDQ-CRAIPNDOSA-N 1 0 342.414 4.236 20 30 EIEDRO CCCC[C@H](CC(C)C)[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001173255642 1050381627 /nfs/dbraw/zinc/38/16/27/1050381627.db2.gz LYHWPYCIBSJOLB-LJQANCHMSA-N 1 0 328.504 4.070 20 30 EIEDRO C=C(C)COCC[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC001178147806 1050388713 /nfs/dbraw/zinc/38/87/13/1050388713.db2.gz HOMXMXKXWVLLAQ-UHFFFAOYSA-N 1 0 327.424 4.170 20 30 EIEDRO N#Cc1ccc(F)cc1S[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001186756663 1050406906 /nfs/dbraw/zinc/40/69/06/1050406906.db2.gz DKZWQEIHVRCLLD-SFHVURJKSA-N 1 0 326.440 4.454 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(Sc3ccncc3)CC2)CC1 ZINC001173323026 1050415637 /nfs/dbraw/zinc/41/56/37/1050415637.db2.gz BJQDPSOIQDQMEJ-UHFFFAOYSA-N 1 0 332.513 4.152 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC001173326453 1050417121 /nfs/dbraw/zinc/41/71/21/1050417121.db2.gz ZJJUUOHPPJYMSL-UHFFFAOYSA-N 1 0 332.447 4.480 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001173326136 1050417866 /nfs/dbraw/zinc/41/78/66/1050417866.db2.gz VSKJPTNBEBOPSN-SOAGJPPSSA-N 1 0 343.467 4.124 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)C1 ZINC000618570458 1050418995 /nfs/dbraw/zinc/41/89/95/1050418995.db2.gz CNVXAXDAQADTHF-UWJYYQICSA-N 1 0 332.447 4.460 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001173328551 1050419621 /nfs/dbraw/zinc/41/96/21/1050419621.db2.gz FJIMDKPLDNJHIM-ZTUNLMCQSA-N 1 0 347.300 4.368 20 30 EIEDRO C=CCOC1CCC([N@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001173327810 1050419857 /nfs/dbraw/zinc/41/98/57/1050419857.db2.gz STROHKFOQQHHBX-UHFFFAOYSA-N 1 0 336.273 4.279 20 30 EIEDRO CC(C)(C)OC(=O)NCCC1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173330582 1050419989 /nfs/dbraw/zinc/41/99/89/1050419989.db2.gz CZDOLLSHGIUZKG-UHFFFAOYSA-N 1 0 349.519 4.086 20 30 EIEDRO N#CCC1CCC([N@H+]2CCc3cc(Br)ccc3C2)CC1 ZINC001173331802 1050422407 /nfs/dbraw/zinc/42/24/07/1050422407.db2.gz UEURGMCIDZVXJN-UHFFFAOYSA-N 1 0 333.273 4.280 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cccc(N3CCCCCC3=O)c2)CC1 ZINC001173332045 1050423206 /nfs/dbraw/zinc/42/32/06/1050423206.db2.gz GUQAAGFFFGUYEL-UHFFFAOYSA-N 1 0 339.483 4.156 20 30 EIEDRO N#CCC1CCC([N@H+]2CCCC[C@H]2C(=O)OCc2ccccc2)CC1 ZINC001173331836 1050423523 /nfs/dbraw/zinc/42/35/23/1050423523.db2.gz UPAKLSCAPXUGRY-UUKMXZOPSA-N 1 0 340.467 4.057 20 30 EIEDRO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1C1CCC(CC#N)CC1 ZINC001173331019 1050423560 /nfs/dbraw/zinc/42/35/60/1050423560.db2.gz JTBIKSFVCOGOKM-ZLZJIPBDSA-N 1 0 349.519 4.084 20 30 EIEDRO C[N@H+](C1CCC(CC#N)CC1)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001173337004 1050424489 /nfs/dbraw/zinc/42/44/89/1050424489.db2.gz VJRLRZHYBORBHO-OPQOLIRYSA-N 1 0 349.519 4.227 20 30 EIEDRO COc1cccc(C[C@H]2CCC[N@@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173336540 1050424814 /nfs/dbraw/zinc/42/48/14/1050424814.db2.gz CWYDTQRZJSFMDE-SKINQDTJSA-N 1 0 326.484 4.422 20 30 EIEDRO C[N@H+](C1CCC(CC#N)CC1)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001173337002 1050425561 /nfs/dbraw/zinc/42/55/61/1050425561.db2.gz VJRLRZHYBORBHO-FOIPXRHGSA-N 1 0 349.519 4.227 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C1CCC(CC#N)CC1 ZINC001173337098 1050426069 /nfs/dbraw/zinc/42/60/69/1050426069.db2.gz ZCVDHUMILBGMKC-ZBABMDLNSA-N 1 0 346.515 4.434 20 30 EIEDRO N#CCC1CCC(n2nc(C3CC[NH2+]CC3)c3ccc(F)cc32)CC1 ZINC001173338066 1050428357 /nfs/dbraw/zinc/42/83/57/1050428357.db2.gz WQQYYMCCDWNDPL-UHFFFAOYSA-N 1 0 340.446 4.287 20 30 EIEDRO COc1cccc([C@H]2CSCC[N@@H+]2C2CCC(CC#N)CC2)c1 ZINC001173341371 1050430507 /nfs/dbraw/zinc/43/05/07/1050430507.db2.gz UVXKQIQXMJYNEU-GXOAENINSA-N 1 0 330.497 4.258 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H](CCO)c2cccc3ccccc32)CC1 ZINC001173314168 1050438187 /nfs/dbraw/zinc/43/81/87/1050438187.db2.gz KZIAUMFQLCQYSR-OBFZPWGMSA-N 1 0 339.479 4.367 20 30 EIEDRO C=CCOC1CCC([NH2+]CC[C@@H]2CCc3ccc4c(c32)CCO4)CC1 ZINC001173315014 1050439475 /nfs/dbraw/zinc/43/94/75/1050439475.db2.gz ZNRCRLJGKBDJMU-VIQWUECVSA-N 1 0 341.495 4.145 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)CC1 ZINC001173316193 1050439774 /nfs/dbraw/zinc/43/97/74/1050439774.db2.gz YGBUANSTBQGRBJ-UHFFFAOYSA-N 1 0 347.352 4.328 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001173315084 1050439928 /nfs/dbraw/zinc/43/99/28/1050439928.db2.gz GVJRPYPKQCQSAF-UHFFFAOYSA-N 1 0 347.352 4.328 20 30 EIEDRO C=CCOC1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 ZINC001173319819 1050440412 /nfs/dbraw/zinc/44/04/12/1050440412.db2.gz XENBZQPSXUQCKH-DZVQBONVSA-N 1 0 342.527 4.000 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC001173317563 1050440814 /nfs/dbraw/zinc/44/08/14/1050440814.db2.gz FRMXJIDEGDXQNA-UHFFFAOYSA-N 1 0 328.500 4.280 20 30 EIEDRO C=CCOC1CCC(n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])CC1 ZINC001173318438 1050441426 /nfs/dbraw/zinc/44/14/26/1050441426.db2.gz UYXAZZUEUSLPQM-ZLPCBKJTSA-N 1 0 325.456 4.256 20 30 EIEDRO Fc1cc2c(cc1F)CC([NH2+]CCC(C(F)(F)F)C(F)(F)F)C2 ZINC001173479881 1050461129 /nfs/dbraw/zinc/46/11/29/1050461129.db2.gz NCJUSDOTESZWIL-UHFFFAOYSA-N 1 0 347.249 4.153 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nn1 ZINC001178462583 1050477712 /nfs/dbraw/zinc/47/77/12/1050477712.db2.gz HEWDDJLCSZVIDC-MRXNPFEDSA-N 1 0 328.419 4.175 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000182110809 1050483358 /nfs/dbraw/zinc/48/33/58/1050483358.db2.gz AZBJEJBNTXBGGB-FASAQXTFSA-N 1 0 326.827 4.392 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CC[C@H](NC(=O)C3CCCCC3)CC2)CC1 ZINC001173591304 1050494201 /nfs/dbraw/zinc/49/42/01/1050494201.db2.gz OLLLSRBJKIRKAM-SBHPSCBMSA-N 1 0 345.531 4.056 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC001173588916 1050494445 /nfs/dbraw/zinc/49/44/45/1050494445.db2.gz NMLKSNPMYRZSOM-OSFYOIPJSA-N 1 0 348.490 4.373 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(N3CCCCCC3=O)cc2)CC1 ZINC001173590696 1050494866 /nfs/dbraw/zinc/49/48/66/1050494866.db2.gz FXXKTAYPFBMINO-UHFFFAOYSA-N 1 0 339.483 4.156 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)Nc1ccc2ccccc2c1 ZINC001173588933 1050494981 /nfs/dbraw/zinc/49/49/81/1050494981.db2.gz NVCWQMABBGMNAJ-SBGRQLAYSA-N 1 0 335.451 4.229 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)CC1 ZINC001173589070 1050495280 /nfs/dbraw/zinc/49/52/80/1050495280.db2.gz UZCCODAHQOKVCH-UHFFFAOYSA-N 1 0 336.361 4.430 20 30 EIEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC001178536751 1050496113 /nfs/dbraw/zinc/49/61/13/1050496113.db2.gz BFERZFDIVKFRFU-INIZCTEOSA-N 1 0 346.268 4.407 20 30 EIEDRO C[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001173592464 1050496704 /nfs/dbraw/zinc/49/67/04/1050496704.db2.gz PLULAPTUUDWUNP-BDWAOYLISA-N 1 0 325.500 4.054 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC001173592359 1050496987 /nfs/dbraw/zinc/49/69/87/1050496987.db2.gz NDCQBMKNXDTTCC-UHFFFAOYSA-N 1 0 332.875 4.096 20 30 EIEDRO COc1ccccc1O[C@@H]1CCC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596468 1050497527 /nfs/dbraw/zinc/49/75/27/1050497527.db2.gz XXJGWXJFBUUQEF-OHTSDLOESA-N 1 0 328.456 4.011 20 30 EIEDRO COc1cccc(CC2CC[NH+](C3CCC(C)(C#N)CC3)CC2)c1 ZINC001173596999 1050499836 /nfs/dbraw/zinc/49/98/36/1050499836.db2.gz DBKQMMDULRYYGA-UHFFFAOYSA-N 1 0 326.484 4.422 20 30 EIEDRO CC1(C#N)CCC(n2nc(C3CC[NH2+]CC3)c3ccc(F)cc32)CC1 ZINC001173599721 1050500323 /nfs/dbraw/zinc/50/03/23/1050500323.db2.gz PBIMOFZVXQRISB-UHFFFAOYSA-N 1 0 340.446 4.287 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)ccc1Br ZINC000618741578 1050502076 /nfs/dbraw/zinc/50/20/76/1050502076.db2.gz GKGCHYZKJIUZIL-GOSISDBHSA-N 1 0 341.252 4.406 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000618741620 1050501873 /nfs/dbraw/zinc/50/18/73/1050501873.db2.gz HQFJXLFGRPLOHH-SFHVURJKSA-N 1 0 346.352 4.276 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(Br)s1 ZINC000618741885 1050502748 /nfs/dbraw/zinc/50/27/48/1050502748.db2.gz ISDXVIKFOMOGKK-AWEZNQCLSA-N 1 0 333.254 4.159 20 30 EIEDRO CCOC(=O)C[N@H+]([C@H](C)c1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173600944 1050502780 /nfs/dbraw/zinc/50/27/80/1050502780.db2.gz MXBKDYVTKMGBSG-PPDQVPDSSA-N 1 0 328.456 4.085 20 30 EIEDRO COc1cc(C[NH2+]Cc2cc3ccnc(Cl)c3s2)ccc1C#N ZINC001178654238 1050524723 /nfs/dbraw/zinc/52/47/23/1050524723.db2.gz HGTAQVXACQEDLY-UHFFFAOYSA-N 1 0 343.839 4.120 20 30 EIEDRO C=CCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCCCC1 ZINC001178727390 1050529152 /nfs/dbraw/zinc/52/91/52/1050529152.db2.gz RBOLJDXVAYEMMZ-WIYYLYMNSA-N 1 0 340.511 4.102 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3cc(C#N)ccc31)CCS2 ZINC000618807376 1050535540 /nfs/dbraw/zinc/53/55/40/1050535540.db2.gz YPILLCSZWDQCER-RBUKOAKNSA-N 1 0 336.460 4.381 20 30 EIEDRO CCCCCCCOc1cccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC001178851974 1050572480 /nfs/dbraw/zinc/57/24/80/1050572480.db2.gz PQDVJKGINMIJSO-GOSISDBHSA-N 1 0 341.499 4.406 20 30 EIEDRO C#CCCCCC(=O)OCC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000773783719 1050583244 /nfs/dbraw/zinc/58/32/44/1050583244.db2.gz IHHZMPOVZGTMQG-UHFFFAOYSA-N 1 0 327.468 4.026 20 30 EIEDRO C#Cc1cccc(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)c1 ZINC001178950767 1050594167 /nfs/dbraw/zinc/59/41/67/1050594167.db2.gz SEMKFOMJYMCCPV-UHFFFAOYSA-N 1 0 340.398 4.359 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC001178972039 1050601158 /nfs/dbraw/zinc/60/11/58/1050601158.db2.gz OOKMNGRQCGXRGX-NRFANRHFSA-N 1 0 346.409 4.050 20 30 EIEDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC001179222322 1050651531 /nfs/dbraw/zinc/65/15/31/1050651531.db2.gz GULNOYWLGLECTO-HNNXBMFYSA-N 1 0 349.297 4.493 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1ccccc1-c1ccc(C#N)cn1 ZINC001173931037 1050652836 /nfs/dbraw/zinc/65/28/36/1050652836.db2.gz DGAGKKCKRIWABS-UHFFFAOYSA-N 1 0 328.419 4.425 20 30 EIEDRO CCCC[C@@H](CC)C[N@H+]1CC[C@H]2CN(C(=O)CCCC#N)C[C@H]2CC1 ZINC001273551378 1050663397 /nfs/dbraw/zinc/66/33/97/1050663397.db2.gz LUOHOCTXCGEXFI-AQNXPRMDSA-N 1 0 347.547 4.067 20 30 EIEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC001179291649 1050664900 /nfs/dbraw/zinc/66/49/00/1050664900.db2.gz SNCHBPSGJYEZIM-KRWDZBQOSA-N 1 0 331.500 4.115 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001179375691 1050684565 /nfs/dbraw/zinc/68/45/65/1050684565.db2.gz DIHQMKHYMNKCTL-IEWDOMPSSA-N 1 0 348.531 4.499 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cc1 ZINC001179636722 1050745424 /nfs/dbraw/zinc/74/54/24/1050745424.db2.gz KPVUTTMGQZSHKW-QGZVFWFLSA-N 1 0 336.479 4.499 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc4cccnc43)CC2)cc1 ZINC000182567170 1050746047 /nfs/dbraw/zinc/74/60/47/1050746047.db2.gz LVTKSKWZURZWNH-UHFFFAOYSA-N 1 0 342.446 4.183 20 30 EIEDRO N#Cc1ccc(C2=CCN(c3cc[nH+]c4c(O)cccc34)CC2)cc1 ZINC000619487781 1050791698 /nfs/dbraw/zinc/79/16/98/1050791698.db2.gz RKEAKSLNWHWDTG-UHFFFAOYSA-N 1 0 327.387 4.106 20 30 EIEDRO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(F)c1OC ZINC001179913672 1050832443 /nfs/dbraw/zinc/83/24/43/1050832443.db2.gz CTALHSGFVPPEFF-UHFFFAOYSA-N 1 0 342.414 4.125 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)C1 ZINC000619672583 1050849083 /nfs/dbraw/zinc/84/90/83/1050849083.db2.gz ALVTVZQVFGCBGL-MOXGXCLJSA-N 1 0 348.425 4.199 20 30 EIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)C12CCCCC2 ZINC001180097110 1050865910 /nfs/dbraw/zinc/86/59/10/1050865910.db2.gz BCCPCGWNTBDGGI-VQTJNVASSA-N 1 0 342.483 4.127 20 30 EIEDRO CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)CCC2 ZINC000619755576 1050883624 /nfs/dbraw/zinc/88/36/24/1050883624.db2.gz ZVMSFGXRLDGUHN-CQSZACIVSA-N 1 0 331.872 4.398 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)cc1Cl ZINC000619754792 1050883818 /nfs/dbraw/zinc/88/38/18/1050883818.db2.gz KSHKOYILQMVKPS-OXJNMPFZSA-N 1 0 340.854 4.469 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1OC ZINC000619755377 1050885829 /nfs/dbraw/zinc/88/58/29/1050885829.db2.gz GPWJARXFMIDVGP-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000619755938 1050885881 /nfs/dbraw/zinc/88/58/81/1050885881.db2.gz ZTOPQEGKGVUGFF-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@@](C)(c3ccccc3)C2)c1 ZINC001180161482 1050906837 /nfs/dbraw/zinc/90/68/37/1050906837.db2.gz FCLLYXHQVBCSDD-JTHBVZDNSA-N 1 0 346.474 4.049 20 30 EIEDRO CC(C)(C#N)c1ccc(NC2=CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC001174392877 1050907656 /nfs/dbraw/zinc/90/76/56/1050907656.db2.gz LLRKDQIZPNICDD-UHFFFAOYSA-N 1 0 332.451 4.084 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc(C)cc(C)c2)c(C#N)c1C ZINC000182935404 1050909102 /nfs/dbraw/zinc/90/91/02/1050909102.db2.gz MLXQQSONUQNXQB-HUUCEWRRSA-N 1 0 339.439 4.063 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000152968599 1050913017 /nfs/dbraw/zinc/91/30/17/1050913017.db2.gz RGPNJBLOLFWJJP-OAHLLOKOSA-N 1 0 338.442 4.288 20 30 EIEDRO Clc1ccccc1OC[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001180219239 1050915788 /nfs/dbraw/zinc/91/57/88/1050915788.db2.gz LBPQDEWAKJMWFI-IBGZPJMESA-N 1 0 339.866 4.483 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1O ZINC000619847233 1050926491 /nfs/dbraw/zinc/92/64/91/1050926491.db2.gz DBYVSHUMDAXJLD-CYBMUJFWSA-N 1 0 344.842 4.037 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC001189263930 1050952324 /nfs/dbraw/zinc/95/23/24/1050952324.db2.gz NJDRYKOIYIESCR-UHFFFAOYSA-N 1 0 343.515 4.082 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001180326767 1050971759 /nfs/dbraw/zinc/97/17/59/1050971759.db2.gz QTBINWMTXXYFCS-WBMJQRKESA-N 1 0 341.282 4.433 20 30 EIEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001174758111 1051179835 /nfs/dbraw/zinc/17/98/35/1051179835.db2.gz ACFFQVHIWPSNMU-YOEHRIQHSA-N 1 0 340.389 4.031 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1nc(N(C)C)n(-c2ccc(C)cc2)c1Cl ZINC001181265456 1051193781 /nfs/dbraw/zinc/19/37/81/1051193781.db2.gz DQPYDVGIYZOLEJ-HNNXBMFYSA-N 1 0 346.906 4.344 20 30 EIEDRO C#CC[N@@H+](CC/C=C\c1cncc(OC)c1)[C@H]1CCc2ccccc21 ZINC001190529551 1051205774 /nfs/dbraw/zinc/20/57/74/1051205774.db2.gz SQEZGRHFUMKFKJ-QGHLFXPHSA-N 1 0 332.447 4.116 20 30 EIEDRO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC001181324613 1051208528 /nfs/dbraw/zinc/20/85/28/1051208528.db2.gz SRBLSUHUMZXSFW-OAQYLSRUSA-N 1 0 342.483 4.186 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001181411182 1051214693 /nfs/dbraw/zinc/21/46/93/1051214693.db2.gz ZIECLBOEWYLXER-KDURUIRLSA-N 1 0 344.499 4.368 20 30 EIEDRO C#CC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775399879 1051230501 /nfs/dbraw/zinc/23/05/01/1051230501.db2.gz KSXZJFVCGAQXCS-LJQANCHMSA-N 1 0 327.349 4.411 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12)c1ccccc1 ZINC000775402948 1051240994 /nfs/dbraw/zinc/24/09/94/1051240994.db2.gz DOCFTDCNMJRAPN-HXUWFJFHSA-N 1 0 331.415 4.264 20 30 EIEDRO C=CCSCC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775403634 1051245729 /nfs/dbraw/zinc/24/57/29/1051245729.db2.gz HQRBBYALIBBVBN-QGZVFWFLSA-N 1 0 348.556 4.251 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H](O)c1ccc(Cl)cc1 ZINC001174925677 1051253538 /nfs/dbraw/zinc/25/35/38/1051253538.db2.gz XBVILGLHZYILSY-RBUKOAKNSA-N 1 0 346.833 4.199 20 30 EIEDRO C=CCCCCCC[NH2+]Cc1nc2ccccn2c1Br ZINC001181622028 1051265621 /nfs/dbraw/zinc/26/56/21/1051265621.db2.gz NQILQCZYNSLNHD-UHFFFAOYSA-N 1 0 336.277 4.323 20 30 EIEDRO C[C@@H](CCc1ccccc1)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001190819050 1051283292 /nfs/dbraw/zinc/28/32/92/1051283292.db2.gz RPIQJMWQWVIGJX-IBGZPJMESA-N 1 0 333.479 4.092 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC001191012977 1051326197 /nfs/dbraw/zinc/32/61/97/1051326197.db2.gz DQKLDSRCSNOHPX-QGZVFWFLSA-N 1 0 330.472 4.094 20 30 EIEDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000773952744 1051339570 /nfs/dbraw/zinc/33/95/70/1051339570.db2.gz BPYNNLGIJYVYBM-GOSISDBHSA-N 1 0 336.863 4.023 20 30 EIEDRO COC(=O)c1cccc(C[N@@H+]2CCCCC[C@@H]2CC(C)C)c1C#N ZINC001191113613 1051355980 /nfs/dbraw/zinc/35/59/80/1051355980.db2.gz ZJLPZSVBUXXEFZ-QGZVFWFLSA-N 1 0 328.456 4.136 20 30 EIEDRO CCCCCCCNC(=O)NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001191121657 1051356359 /nfs/dbraw/zinc/35/63/59/1051356359.db2.gz HHQHUXPWTUBZHT-SFHVURJKSA-N 1 0 335.536 4.077 20 30 EIEDRO CCCCCCCNC(=O)NC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001191122012 1051358358 /nfs/dbraw/zinc/35/83/58/1051358358.db2.gz QRGXGIIKXMQLQS-UHFFFAOYSA-N 1 0 345.531 4.311 20 30 EIEDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001191156576 1051366602 /nfs/dbraw/zinc/36/66/02/1051366602.db2.gz LXGHIXWUZFUSRH-YJBOKZPZSA-N 1 0 335.407 4.153 20 30 EIEDRO Brc1ccc(/C=C\C[NH2+]CC#Cc2ccccc2)cc1 ZINC001181970976 1051372486 /nfs/dbraw/zinc/37/24/86/1051372486.db2.gz HCNSANSVGZHUCQ-UITAMQMPSA-N 1 0 326.237 4.104 20 30 EIEDRO C=CCCCCC[N@@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC001191132780 1051376947 /nfs/dbraw/zinc/37/69/47/1051376947.db2.gz MIPXZXRUVPKMDU-UHFFFAOYSA-N 1 0 330.516 4.480 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccco1)c1ccc(Br)cc1 ZINC001182035450 1051377159 /nfs/dbraw/zinc/37/71/59/1051377159.db2.gz ZJWVBWTWLHCDLX-GUYCJALGSA-N 1 0 332.241 4.327 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC001191132789 1051377350 /nfs/dbraw/zinc/37/73/50/1051377350.db2.gz MOKUOMBTBJKEHN-CQSZACIVSA-N 1 0 338.879 4.354 20 30 EIEDRO CC(C)[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000775451240 1051423854 /nfs/dbraw/zinc/42/38/54/1051423854.db2.gz ZNSMSDCZSMSFHM-GOSISDBHSA-N 1 0 332.369 4.439 20 30 EIEDRO CCOc1cc(C)c(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(C)c1 ZINC001175171895 1051428134 /nfs/dbraw/zinc/42/81/34/1051428134.db2.gz OTMKQPXZKXRPMZ-UHFFFAOYSA-N 1 0 341.480 4.367 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)c1ccc(C#N)cc1 ZINC000774169000 1051491451 /nfs/dbraw/zinc/49/14/51/1051491451.db2.gz LYQUONJNLJJBQJ-QFIPXVFZSA-N 1 0 349.478 4.277 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000774256620 1051530367 /nfs/dbraw/zinc/53/03/67/1051530367.db2.gz YGXCYNJKXWSOLK-SJORKVTESA-N 1 0 332.806 4.125 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000620980998 1051552231 /nfs/dbraw/zinc/55/22/31/1051552231.db2.gz PIHFYQSLDXTDDH-UHFFFAOYSA-N 1 0 332.469 4.011 20 30 EIEDRO C[C@@H]([NH2+]CCCCOCc1ccccc1)c1ccc(OCC#N)cc1 ZINC000271875978 1051554655 /nfs/dbraw/zinc/55/46/55/1051554655.db2.gz OAVHQEHCXYBWCA-GOSISDBHSA-N 1 0 338.451 4.237 20 30 EIEDRO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC001175418121 1051580305 /nfs/dbraw/zinc/58/03/05/1051580305.db2.gz FKWHZNTXGZIIKF-LJQANCHMSA-N 1 0 343.833 4.343 20 30 EIEDRO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CCC(C)C)c1C#N ZINC001191920794 1051583334 /nfs/dbraw/zinc/58/33/34/1051583334.db2.gz PGUQXCTYBZQQMQ-QGZVFWFLSA-N 1 0 328.456 4.136 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CCOCC(F)(F)F)C(C)(C)C)cc1 ZINC001192052413 1051623701 /nfs/dbraw/zinc/62/37/01/1051623701.db2.gz GPOUJCQMPOWAFM-UHFFFAOYSA-N 1 0 345.405 4.431 20 30 EIEDRO CC(C)(C)Oc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC001175454899 1051625858 /nfs/dbraw/zinc/62/58/58/1051625858.db2.gz YRIUQPLMTYMCPT-UHFFFAOYSA-N 1 0 349.478 4.058 20 30 EIEDRO CC(C)(C)n1cc(C#N)cc1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175505577 1051637302 /nfs/dbraw/zinc/63/73/02/1051637302.db2.gz SXBRTSLWIFSXFV-UHFFFAOYSA-N 1 0 334.467 4.316 20 30 EIEDRO C=CCC(C)(C)C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC001182679050 1051665698 /nfs/dbraw/zinc/66/56/98/1051665698.db2.gz VAEWSNPAXWCPFW-MJGOQNOKSA-N 1 0 330.516 4.470 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001175580203 1051676325 /nfs/dbraw/zinc/67/63/25/1051676325.db2.gz XBUHVBZPVHVEOD-MOPGFXCFSA-N 1 0 348.531 4.292 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCCOc1ccccc1C(N)=O ZINC001182843549 1051712879 /nfs/dbraw/zinc/71/28/79/1051712879.db2.gz DQEPJUIZWGALIS-ZHALLVOQSA-N 1 0 344.499 4.058 20 30 EIEDRO CC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc(Cl)ccc1O ZINC000775526510 1051719619 /nfs/dbraw/zinc/71/96/19/1051719619.db2.gz KRXBIWSFVHJMFZ-QGZVFWFLSA-N 1 0 330.815 4.037 20 30 EIEDRO N#CC1(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCCCC1 ZINC001182929677 1051755116 /nfs/dbraw/zinc/75/51/16/1051755116.db2.gz GKKALVCTSXSINH-FPOVZHCZSA-N 1 0 337.511 4.418 20 30 EIEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccc(-c2ccccc2)cc1)C1CCOCC1 ZINC001182990419 1051757240 /nfs/dbraw/zinc/75/72/40/1051757240.db2.gz QRNAZPCIHCUNIN-FDDCHVKYSA-N 1 0 333.475 4.303 20 30 EIEDRO CCCC[C@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC001192556958 1051759627 /nfs/dbraw/zinc/75/96/27/1051759627.db2.gz KBLCEPZSVUMWAP-NRFANRHFSA-N 1 0 338.451 4.467 20 30 EIEDRO N#CCc1ccccc1Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC001175799433 1051765263 /nfs/dbraw/zinc/76/52/63/1051765263.db2.gz XFDZQMXYKNSQCV-UHFFFAOYSA-N 1 0 335.451 4.361 20 30 EIEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccccc1Oc1ccccc1C ZINC001183075739 1051773810 /nfs/dbraw/zinc/77/38/10/1051773810.db2.gz CURUSYBDEMQIGO-UHFFFAOYSA-N 1 0 336.435 4.378 20 30 EIEDRO C=CCCC[C@H]([NH2+]CC(=O)N(CC)CC(F)(F)F)c1ccccc1 ZINC001175776242 1051780094 /nfs/dbraw/zinc/78/00/94/1051780094.db2.gz WKIPWECXNVHKAA-INIZCTEOSA-N 1 0 342.405 4.084 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3ccc([C@H](C)C#N)cc3)cc2)CC1 ZINC001175781544 1051784458 /nfs/dbraw/zinc/78/44/58/1051784458.db2.gz VXCFMLLIJJRAJM-QGZVFWFLSA-N 1 0 334.467 4.199 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(OC(F)(F)F)c1 ZINC000775546812 1051806104 /nfs/dbraw/zinc/80/61/04/1051806104.db2.gz GDCZVMBEJAIQBJ-NSHDSACASA-N 1 0 338.304 4.447 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1cccc(-n2cccn2)c1 ZINC001192823148 1051813713 /nfs/dbraw/zinc/81/37/13/1051813713.db2.gz FIVBRORUHXNPHV-CQSZACIVSA-N 1 0 336.826 4.248 20 30 EIEDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC001192919359 1051833413 /nfs/dbraw/zinc/83/34/13/1051833413.db2.gz VABALRIJMVTPMI-MSOLQXFVSA-N 1 0 333.479 4.140 20 30 EIEDRO Clc1ccc(C#CC[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC001193011038 1051852476 /nfs/dbraw/zinc/85/24/76/1051852476.db2.gz FMRPSONMATVZAI-IBGZPJMESA-N 1 0 349.865 4.206 20 30 EIEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001193066229 1051860242 /nfs/dbraw/zinc/86/02/42/1051860242.db2.gz ABZCRGLRBBAFKU-HXUWFJFHSA-N 1 0 335.407 4.064 20 30 EIEDRO C=CCCC[C@@H]([NH2+]C1CCC2(CS(=O)(=O)C2)CC1)c1ccccc1 ZINC001183549428 1051862247 /nfs/dbraw/zinc/86/22/47/1051862247.db2.gz CEBDKJAZSSTBPT-LJQANCHMSA-N 1 0 347.524 4.031 20 30 EIEDRO C=CC(C)(C)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001183674670 1051882148 /nfs/dbraw/zinc/88/21/48/1051882148.db2.gz YFGJNLCXHJJIBF-BBWFWOEESA-N 1 0 336.520 4.356 20 30 EIEDRO C#CCCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001193226199 1051891598 /nfs/dbraw/zinc/89/15/98/1051891598.db2.gz VBEJESARBIYTSE-QZTJIDSGSA-N 1 0 336.520 4.195 20 30 EIEDRO C[C@@H]1CCC[C@H](CC[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC001193324976 1051899911 /nfs/dbraw/zinc/89/99/11/1051899911.db2.gz XEXWBDCZNKLYKQ-DBXWQHBBSA-N 1 0 343.490 4.224 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001183823243 1051909053 /nfs/dbraw/zinc/90/90/53/1051909053.db2.gz QUKMRDCEVULPFU-YLJYHZDGSA-N 1 0 349.519 4.039 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621764559 1051939303 /nfs/dbraw/zinc/93/93/03/1051939303.db2.gz IHMKRKVYHNMYIC-PZJWPPBQSA-N 1 0 334.463 4.261 20 30 EIEDRO N#Cc1cccc(OCCC[NH+]2CCC(c3ccsc3)CC2)c1 ZINC001193554035 1051952753 /nfs/dbraw/zinc/95/27/53/1051952753.db2.gz JLUSLLGKLXNPSX-UHFFFAOYSA-N 1 0 326.465 4.268 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)cc1 ZINC001193647997 1051966118 /nfs/dbraw/zinc/96/61/18/1051966118.db2.gz CBPGVEJLTNWBCQ-CGBFIWBNSA-N 1 0 341.499 4.045 20 30 EIEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001193649927 1051968190 /nfs/dbraw/zinc/96/81/90/1051968190.db2.gz ZMBYDWPIYDNMLL-KDOFPFPSSA-N 1 0 347.890 4.489 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001193662837 1051969147 /nfs/dbraw/zinc/96/91/47/1051969147.db2.gz PBAHKEXHZXGHAN-XLNNEFKCSA-N 1 0 347.547 4.110 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2cc(F)c(Br)cc2C#N)cc1 ZINC001176295260 1051980589 /nfs/dbraw/zinc/98/05/89/1051980589.db2.gz HPWHIRWKQVGTNB-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2c(Br)cccc2C#N)cc1 ZINC001176293631 1051981131 /nfs/dbraw/zinc/98/11/31/1051981131.db2.gz PUKPXBSOMVMDMY-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO N#Cc1cccc([C@H](O)C[NH2+][C@@H]2CCc3cccc4cccc2c43)c1 ZINC001176333320 1051993877 /nfs/dbraw/zinc/99/38/77/1051993877.db2.gz CXVVHWDGXJYPOG-NHCUHLMSSA-N 1 0 328.415 4.022 20 30 EIEDRO N#Cc1cccc([C@H](O)C[NH2+][C@H]2CCc3cccc4cccc2c43)c1 ZINC001176333310 1051994081 /nfs/dbraw/zinc/99/40/81/1051994081.db2.gz CXVVHWDGXJYPOG-LEWJYISDSA-N 1 0 328.415 4.022 20 30 EIEDRO CC[N@H+](CC1CCC1)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC001193762864 1051994708 /nfs/dbraw/zinc/99/47/08/1051994708.db2.gz SSVZOAFOIVSOEC-SFHVURJKSA-N 1 0 341.499 4.061 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1nc(C(C)(C)C)cs1 ZINC000184483553 1052007768 /nfs/dbraw/zinc/00/77/68/1052007768.db2.gz KCFQCZRATFKDAX-ZDUSSCGKSA-N 1 0 329.469 4.042 20 30 EIEDRO C#CCC1([NH2+][C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CCC1 ZINC001176380656 1052027109 /nfs/dbraw/zinc/02/71/09/1052027109.db2.gz FOMKWHPHNRVBTR-GOSISDBHSA-N 1 0 346.474 4.140 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1(C)C ZINC001193921180 1052028294 /nfs/dbraw/zinc/02/82/94/1052028294.db2.gz WFUYKTHNQANWAA-MRXNPFEDSA-N 1 0 333.388 4.070 20 30 EIEDRO CCCC1CCC([N@H+](C)CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC001194052081 1052061724 /nfs/dbraw/zinc/06/17/24/1052061724.db2.gz NUGIGSCRJLJERW-UHFFFAOYSA-N 1 0 347.528 4.466 20 30 EIEDRO N#CCC1(C[N@H+](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC001194106795 1052074097 /nfs/dbraw/zinc/07/40/97/1052074097.db2.gz BGOWKKGFIVDMGG-UHFFFAOYSA-N 1 0 333.273 4.355 20 30 EIEDRO C#CC[N@H+](C[C@H]1COC2(CCCCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176454139 1052077686 /nfs/dbraw/zinc/07/76/86/1052077686.db2.gz ZPNWZDSLLFMCOL-PZJWPPBQSA-N 1 0 339.479 4.075 20 30 EIEDRO C#CC[N@H+](C[C@@H]1COC2(CCCCC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176454140 1052078080 /nfs/dbraw/zinc/07/80/80/1052078080.db2.gz ZPNWZDSLLFMCOL-TZIWHRDSSA-N 1 0 339.479 4.075 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+]C2[C@@H](C)CCC[C@@H]2C)cc1 ZINC001194161736 1052092357 /nfs/dbraw/zinc/09/23/57/1052092357.db2.gz CWARPARHDRBNAV-BZSNNMDCSA-N 1 0 341.499 4.045 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNc1nc(C(F)(F)F)cs1)C(C)C ZINC001184774821 1052103286 /nfs/dbraw/zinc/10/32/86/1052103286.db2.gz AUCZQDFMXJOIHZ-GFCCVEGCSA-N 1 0 333.423 4.272 20 30 EIEDRO C=C1CC(C)(C(=O)Nc2ccc3c(c2)CC[C@H]([NH+]2CCCC2)CC3)C1 ZINC001184791592 1052106619 /nfs/dbraw/zinc/10/66/19/1052106619.db2.gz KTARQGIHNGTMFY-HXUWFJFHSA-N 1 0 338.495 4.325 20 30 EIEDRO N#Cc1c(N)sc2c1CC[N@@H+](CCCCc1cccc(Cl)c1)C2 ZINC001176771223 1052193947 /nfs/dbraw/zinc/19/39/47/1052193947.db2.gz IOSYYQDTCGUJCF-UHFFFAOYSA-N 1 0 345.899 4.236 20 30 EIEDRO C=CCCC[N@@H+](CC)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC001176798466 1052197910 /nfs/dbraw/zinc/19/79/10/1052197910.db2.gz PZOUCSLXRIODCP-UHFFFAOYSA-N 1 0 343.496 4.345 20 30 EIEDRO C#C[C@@H]1CCCC[N@H+]1CCCCOc1cccc(C(F)(F)F)c1 ZINC001176833571 1052198013 /nfs/dbraw/zinc/19/80/13/1052198013.db2.gz XIXUQZKZRKXLLG-MRXNPFEDSA-N 1 0 325.374 4.352 20 30 EIEDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3cncn3C(C)(C)C)C2)cc1C#N ZINC001176990141 1052215090 /nfs/dbraw/zinc/21/50/90/1052215090.db2.gz CUGGXBJMLLIQLM-SFHVURJKSA-N 1 0 336.483 4.198 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cc1 ZINC001177103868 1052230215 /nfs/dbraw/zinc/23/02/15/1052230215.db2.gz CCHYUWXZVUHIQW-JOCHJYFZSA-N 1 0 347.506 4.414 20 30 EIEDRO Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)ccc1C#N ZINC000774911022 1052279130 /nfs/dbraw/zinc/27/91/30/1052279130.db2.gz FAPPAKWVFYJTSW-VQTJNVASSA-N 1 0 338.451 4.328 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(Cc3cccc(F)c3)CCC2)cc1 ZINC000185230136 1052544688 /nfs/dbraw/zinc/54/46/88/1052544688.db2.gz ZBJYRMFAYWZBKP-INIZCTEOSA-N 1 0 338.426 4.372 20 30 EIEDRO N#CC(CC[N@H+]1CCCC[C@@H]1CCO)(c1ccccc1)c1ccccc1 ZINC000176296695 1052615913 /nfs/dbraw/zinc/61/59/13/1052615913.db2.gz QNAMFODVSFLQIU-JOCHJYFZSA-N 1 0 348.490 4.123 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CCC(F)(F)C2)cc1OC ZINC000623450959 1052659304 /nfs/dbraw/zinc/65/93/04/1052659304.db2.gz DZVSPQUEDPTMLZ-GFCCVEGCSA-N 1 0 331.790 4.191 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CCCC(C)(F)F)cc1OC ZINC000623534198 1052669459 /nfs/dbraw/zinc/66/94/59/1052669459.db2.gz BZPAFQMLOHXZML-UHFFFAOYSA-N 1 0 333.806 4.438 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]CC[C@@]2(C)CC2(F)F)cc1OC ZINC000623570315 1052682595 /nfs/dbraw/zinc/68/25/95/1052682595.db2.gz OTWBNENXBIHSOV-INIZCTEOSA-N 1 0 345.817 4.438 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000921501176 1052724890 /nfs/dbraw/zinc/72/48/90/1052724890.db2.gz JGCQZCVRNREEHT-UHFFFAOYSA-N 1 0 347.462 4.204 20 30 EIEDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623878681 1052828460 /nfs/dbraw/zinc/82/84/60/1052828460.db2.gz NMRWAQRMJPPTNE-IUCAKERBSA-N 1 0 347.274 4.463 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)c2cc(Br)ccc2C)CC1 ZINC000623889169 1052833373 /nfs/dbraw/zinc/83/33/73/1052833373.db2.gz GGTVKNBIYXNEJD-AWEZNQCLSA-N 1 0 337.305 4.059 20 30 EIEDRO FC(F)(F)c1ccc(C#CCN[C@H]2CCCc3scnc32)cc1 ZINC000623917931 1052837495 /nfs/dbraw/zinc/83/74/95/1052837495.db2.gz CJHCQGPWXYFUNM-AWEZNQCLSA-N 1 0 336.382 4.181 20 30 EIEDRO C=CCCC[NH2+][C@H](C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000623974265 1052846195 /nfs/dbraw/zinc/84/61/95/1052846195.db2.gz AJFQPFZOBZDACH-MRXNPFEDSA-N 1 0 344.480 4.104 20 30 EIEDRO C[C@H](C[N@H+](C)Cc1cccc(OCCCC#N)c1)c1nccs1 ZINC000183249521 1052967713 /nfs/dbraw/zinc/96/77/13/1052967713.db2.gz FUJQZSDLTMYOEM-OAHLLOKOSA-N 1 0 329.469 4.061 20 30 EIEDRO Cc1cnc([C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C2CC2)s1 ZINC000185371173 1053017130 /nfs/dbraw/zinc/01/71/30/1053017130.db2.gz ONZPJBOALUKTKM-KRWDZBQOSA-N 1 0 325.481 4.494 20 30 EIEDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)N(CCC#N)c1ccccc1 ZINC000193089399 1053023028 /nfs/dbraw/zinc/02/30/28/1053023028.db2.gz URGWCVGVWMMQHL-LAUBAEHRSA-N 1 0 347.462 4.063 20 30 EIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccn(C3CCCC3)n2)cc1 ZINC000119590228 1053068895 /nfs/dbraw/zinc/06/88/95/1053068895.db2.gz CYTIBLBXJOLBEQ-OAHLLOKOSA-N 1 0 339.487 4.439 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@H+](C)CCc1cccc(Br)c1 ZINC001194691277 1053073173 /nfs/dbraw/zinc/07/31/73/1053073173.db2.gz HDNCIXFTQRSHFA-UHFFFAOYSA-N 1 0 343.268 4.304 20 30 EIEDRO Cc1cc(F)ccc1C1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC001194715802 1053085178 /nfs/dbraw/zinc/08/51/78/1053085178.db2.gz YFKMVLVWVDJSHO-UHFFFAOYSA-N 1 0 338.426 4.264 20 30 EIEDRO N#Cc1ccc(CC[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)cc1 ZINC001194791185 1053093361 /nfs/dbraw/zinc/09/33/61/1053093361.db2.gz HGUWVXJZRDZZJL-XZOQPEGZSA-N 1 0 342.442 4.165 20 30 EIEDRO C[C@H](C[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H](C)CO)c1ccccc1 ZINC001194755006 1053095240 /nfs/dbraw/zinc/09/52/40/1053095240.db2.gz MNLLPOLVSDXIGY-CVEARBPZSA-N 1 0 342.870 4.198 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000764470508 1053119921 /nfs/dbraw/zinc/11/99/21/1053119921.db2.gz ICUSDHCKVHGDSE-MRXNPFEDSA-N 1 0 342.405 4.027 20 30 EIEDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000850343435 1053123055 /nfs/dbraw/zinc/12/30/55/1053123055.db2.gz SWQPWYRILFEHIW-HNAYVOBHSA-N 1 0 326.415 4.227 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000850427262 1053198350 /nfs/dbraw/zinc/19/83/50/1053198350.db2.gz QGEZJYDNRYJRMP-FXAWDEMLSA-N 1 0 346.490 4.011 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCCn2c(C)nc3ccccc32)cc1 ZINC000764588112 1053211861 /nfs/dbraw/zinc/21/18/61/1053211861.db2.gz DINHBVJSEYHZKD-QGZVFWFLSA-N 1 0 347.462 4.098 20 30 EIEDRO C=C(C)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001194984499 1053221647 /nfs/dbraw/zinc/22/16/47/1053221647.db2.gz ROBWCWWCGAXKQW-ZWKOTPCHSA-N 1 0 348.462 4.084 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2Cl)nc1 ZINC000850463762 1053242010 /nfs/dbraw/zinc/24/20/10/1053242010.db2.gz YAVXLXGTMSKTFE-HKUYNNGSSA-N 1 0 325.843 4.423 20 30 EIEDRO Cc1cc(F)ccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000850493490 1053258587 /nfs/dbraw/zinc/25/85/87/1053258587.db2.gz JHEBWGZLTSLHQC-CVEARBPZSA-N 1 0 326.415 4.318 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1F ZINC000794688412 1053263223 /nfs/dbraw/zinc/26/32/23/1053263223.db2.gz HHHDWFLMCMYXPK-YADHBBJMSA-N 1 0 346.405 4.262 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000850542699 1053305089 /nfs/dbraw/zinc/30/50/89/1053305089.db2.gz UGNQEZZLYAKHEW-QIJUGHKUSA-N 1 0 331.463 4.332 20 30 EIEDRO C=CCn1c(-c2cccs2)nn(CN(C)C2CCCC2)c1=S ZINC000764867208 1053345986 /nfs/dbraw/zinc/34/59/86/1053345986.db2.gz YFLANKJWRJFMNT-UHFFFAOYSA-N 1 0 334.514 4.160 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](Cc3ccccc3)C3CC3)CC2)cc1 ZINC000552062079 1053367222 /nfs/dbraw/zinc/36/72/22/1053367222.db2.gz LHWBEJFLSZYMQA-QHCPKHFHSA-N 1 0 345.490 4.138 20 30 EIEDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001195463156 1053408485 /nfs/dbraw/zinc/40/84/85/1053408485.db2.gz HYJSXJNRJQKTKN-FQEVSTJZSA-N 1 0 326.390 4.434 20 30 EIEDRO CC(C)[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001195423734 1053409757 /nfs/dbraw/zinc/40/97/57/1053409757.db2.gz FOWAZPAWCQGTBR-JOCHJYFZSA-N 1 0 333.479 4.043 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(C)cc2F)ccc1OC ZINC000865460954 1053513789 /nfs/dbraw/zinc/51/37/89/1053513789.db2.gz SARABLLHCVCJAL-QGZVFWFLSA-N 1 0 342.414 4.114 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cc1 ZINC000765359995 1053514287 /nfs/dbraw/zinc/51/42/87/1053514287.db2.gz JQKXBNVUQBHMHN-AUUYWEPGSA-N 1 0 349.833 4.341 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(CCC(=O)OC(C)(C)C)CC2)cc1C#N ZINC001195970021 1053537240 /nfs/dbraw/zinc/53/72/40/1053537240.db2.gz JNXPBVHQAOAHHI-UHFFFAOYSA-N 1 0 342.483 4.201 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)cc1 ZINC000865652590 1053565661 /nfs/dbraw/zinc/56/56/61/1053565661.db2.gz CWXFVANYTHFODC-NSHDSACASA-N 1 0 340.370 4.348 20 30 EIEDRO N#CC[C@@H]1CCC[N@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000852319990 1053568794 /nfs/dbraw/zinc/56/87/94/1053568794.db2.gz UPNYPWGOXOCKRG-HNNXBMFYSA-N 1 0 336.464 4.188 20 30 EIEDRO CC(C)([NH2+]Cc1cnc(-c2ccccc2)nc1)c1cccc(C#N)c1 ZINC001196038466 1053569808 /nfs/dbraw/zinc/56/98/08/1053569808.db2.gz BBKQQVTWISPSCI-UHFFFAOYSA-N 1 0 328.419 4.040 20 30 EIEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001196047902 1053571423 /nfs/dbraw/zinc/57/14/23/1053571423.db2.gz HUYGPEDIRHSKQP-MJGOQNOKSA-N 1 0 348.531 4.147 20 30 EIEDRO Cc1cccc2[nH]c(C[NH2+]C3CCN(c4ccccc4C#N)CC3)cc21 ZINC000865694962 1053571511 /nfs/dbraw/zinc/57/15/11/1053571511.db2.gz JILWOUCAXLCFCR-UHFFFAOYSA-N 1 0 344.462 4.107 20 30 EIEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C12CCC2 ZINC001196125641 1053596004 /nfs/dbraw/zinc/59/60/04/1053596004.db2.gz SBDMFEQJSKPZIM-IRXDYDNUSA-N 1 0 332.875 4.428 20 30 EIEDRO FC(F)(F)CCC(CCC(F)(F)F)=NNCC[NH+]1CCCCC1 ZINC000853292458 1053664896 /nfs/dbraw/zinc/66/48/96/1053664896.db2.gz YXOQZQUPWXWOKF-UHFFFAOYSA-N 1 0 347.347 4.103 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](CC)c1cccc(OC)c1OC)c1ccncc1 ZINC000866268515 1053669718 /nfs/dbraw/zinc/66/97/18/1053669718.db2.gz XESLBVPQJRMFOL-MSOLQXFVSA-N 1 0 326.440 4.457 20 30 EIEDRO N#Cc1ccccc1NC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC001196545539 1053697497 /nfs/dbraw/zinc/69/74/97/1053697497.db2.gz QXGNFELXJZOVHU-UHFFFAOYSA-N 1 0 342.446 4.183 20 30 EIEDRO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(OC(F)(F)F)c1)C2 ZINC001196622734 1053716558 /nfs/dbraw/zinc/71/65/58/1053716558.db2.gz KJYKCVPARCUXBC-UHFFFAOYSA-N 1 0 346.352 4.210 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)c(O)c1C ZINC000866449396 1053733264 /nfs/dbraw/zinc/73/32/64/1053733264.db2.gz VCKDITLHFVIYDZ-KRWDZBQOSA-N 1 0 349.478 4.200 20 30 EIEDRO N#Cc1ccccc1N1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000866448437 1053734211 /nfs/dbraw/zinc/73/42/11/1053734211.db2.gz FTUUXGRSAGUQEY-FQEVSTJZSA-N 1 0 347.462 4.031 20 30 EIEDRO [NH3+]CC[C@@H]1CN(c2cc(/C=N/O)cc(C(F)(F)F)c2)c2ccccc21 ZINC001168547796 1053786232 /nfs/dbraw/zinc/78/62/32/1053786232.db2.gz HYKWEVDHQYEWNM-FBRGJASNSA-N 1 0 349.356 4.098 20 30 EIEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866615072 1053807418 /nfs/dbraw/zinc/80/74/18/1053807418.db2.gz AYMPYDAIAYNTTD-KSFYIVLOSA-N 1 0 341.458 4.185 20 30 EIEDRO C[C@H](CCc1cncc2ccccc21)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866615076 1053807869 /nfs/dbraw/zinc/80/78/69/1053807869.db2.gz AYMPYDAIAYNTTD-ZHRRBRCNSA-N 1 0 341.458 4.185 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc2ccccc2c1)c1ccc(C#N)c(F)c1 ZINC000776738622 1053811506 /nfs/dbraw/zinc/81/15/06/1053811506.db2.gz GEVUBYIWSMYSCR-SPLOXXLWSA-N 1 0 334.394 4.235 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1)c1ccc(C#N)c(F)c1 ZINC000776742045 1053816046 /nfs/dbraw/zinc/81/60/46/1053816046.db2.gz ZFLYBQKPHPYYAY-VBKZILBWSA-N 1 0 340.442 4.379 20 30 EIEDRO C[NH+](C)C1(C)CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC001196980041 1053817588 /nfs/dbraw/zinc/81/75/88/1053817588.db2.gz BLGJZEWEVLCZEO-UHFFFAOYSA-N 1 0 333.479 4.141 20 30 EIEDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)C2)cc1 ZINC000776740327 1053818387 /nfs/dbraw/zinc/81/83/87/1053818387.db2.gz KFCMEIFLJOFJSE-QFBILLFUSA-N 1 0 337.442 4.325 20 30 EIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000552271054 1053845756 /nfs/dbraw/zinc/84/57/56/1053845756.db2.gz PKGZEMXPUHLLRH-JRGCBEDISA-N 1 0 338.426 4.138 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)cc1 ZINC000121836233 1053851467 /nfs/dbraw/zinc/85/14/67/1053851467.db2.gz AXHFOKYSCBACOZ-ZWKOTPCHSA-N 1 0 345.446 4.296 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C#N)c2)cc1[N+](=O)[O-] ZINC001168553327 1053887597 /nfs/dbraw/zinc/88/75/97/1053887597.db2.gz QNRVKNOMKIJMLW-LBPRGKRZSA-N 1 0 329.787 4.279 20 30 EIEDRO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000122184631 1053907818 /nfs/dbraw/zinc/90/78/18/1053907818.db2.gz NGKXLRJHMSJCFT-MRXNPFEDSA-N 1 0 325.431 4.369 20 30 EIEDRO C#Cc1cccc(NC(=S)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC000795019115 1053910062 /nfs/dbraw/zinc/91/00/62/1053910062.db2.gz SYSZROHEQALAFR-UHFFFAOYSA-N 1 0 343.883 4.192 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cccc3[nH]ccc32)ccc1OC ZINC000113347910 1053923163 /nfs/dbraw/zinc/92/31/63/1053923163.db2.gz RWRFKQAPWKXIHK-QGZVFWFLSA-N 1 0 349.434 4.147 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2OC)cc1 ZINC000113323993 1053923764 /nfs/dbraw/zinc/92/37/64/1053923764.db2.gz ADSOXZVPVLJGTR-OAHLLOKOSA-N 1 0 327.399 4.087 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000113328162 1053923878 /nfs/dbraw/zinc/92/38/78/1053923878.db2.gz GLAOIMLWHFTHKO-FYYLOGMGSA-N 1 0 349.474 4.346 20 30 EIEDRO CCc1ccc(C[NH2+]Cc2ccc(OC)c(O[C@H](C#N)CC)c2)cc1 ZINC000113348169 1053924156 /nfs/dbraw/zinc/92/41/56/1053924156.db2.gz OBMQMMCBVJDHNO-IBGZPJMESA-N 1 0 338.451 4.228 20 30 EIEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC001197700980 1053976560 /nfs/dbraw/zinc/97/65/60/1053976560.db2.gz BNROCJRQDWAOAN-QGZVFWFLSA-N 1 0 346.434 4.386 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000186164935 1054028927 /nfs/dbraw/zinc/02/89/27/1054028927.db2.gz WVFTUDHHOMQMHT-GOSISDBHSA-N 1 0 326.465 4.109 20 30 EIEDRO C[C@H]([NH2+]CCCSCC#N)c1ccc(C(F)(F)F)nc1Cl ZINC000856779517 1054108761 /nfs/dbraw/zinc/10/87/61/1054108761.db2.gz XVWHXPGLQLIVRM-VIFPVBQESA-N 1 0 337.798 4.051 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001198244119 1054110158 /nfs/dbraw/zinc/11/01/58/1054110158.db2.gz ZYKWLIKWIJLWMY-QFIPXVFZSA-N 1 0 330.431 4.307 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC001198269595 1054121173 /nfs/dbraw/zinc/12/11/73/1054121173.db2.gz AVAGELUGTFATQB-OWSFEGEDSA-N 1 0 344.458 4.174 20 30 EIEDRO C=CCC[C@@H]1CCC[N@H+]1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198405853 1054139513 /nfs/dbraw/zinc/13/95/13/1054139513.db2.gz BNWQNKUSJWGBAI-QZTJIDSGSA-N 1 0 336.520 4.454 20 30 EIEDRO CN(C)c1ccc(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000775885329 1054220569 /nfs/dbraw/zinc/22/05/69/1054220569.db2.gz YVSRDMDVWKCTFW-UHFFFAOYSA-N 1 0 337.442 4.143 20 30 EIEDRO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@H+](CCC2(C#N)CCCCC2)[C@@H]1C ZINC001198666908 1054227819 /nfs/dbraw/zinc/22/78/19/1054227819.db2.gz GWYVIFWAAAEJNN-XMTFNYHQSA-N 1 0 334.504 4.149 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000186183044 1054236418 /nfs/dbraw/zinc/23/64/18/1054236418.db2.gz WJTFHFUIYLABSP-UHFFFAOYSA-N 1 0 334.463 4.090 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000123914330 1054329186 /nfs/dbraw/zinc/32/91/86/1054329186.db2.gz YRJWQCRTZPPUOE-RTBURBONSA-N 1 0 326.415 4.108 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1cc(F)ccc1F ZINC000123946142 1054383047 /nfs/dbraw/zinc/38/30/47/1054383047.db2.gz FRPNLWWBSGQRCO-BFUOFWGJSA-N 1 0 330.378 4.497 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)ccc1C#N ZINC000858011081 1054394735 /nfs/dbraw/zinc/39/47/35/1054394735.db2.gz QAULFMWYVFEMIS-NRFANRHFSA-N 1 0 347.462 4.183 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc(-c2ccncc2)cs1 ZINC000872121332 1054399921 /nfs/dbraw/zinc/39/99/21/1054399921.db2.gz LFKSMKHBBNNNOB-SFHVURJKSA-N 1 0 346.459 4.244 20 30 EIEDRO C=CCSc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000078961850 1054426030 /nfs/dbraw/zinc/42/60/30/1054426030.db2.gz UOXKPAKINQKUSJ-QGZVFWFLSA-N 1 0 341.480 4.068 20 30 EIEDRO CN(C)c1ccc(C2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000776015324 1054449133 /nfs/dbraw/zinc/44/91/33/1054449133.db2.gz UKDDAYCYIYNURR-UHFFFAOYSA-N 1 0 325.481 4.065 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)cc1 ZINC000858330249 1054467031 /nfs/dbraw/zinc/46/70/31/1054467031.db2.gz MGBZBVDTXCDWEQ-CQSZACIVSA-N 1 0 348.368 4.372 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC001199786834 1054471279 /nfs/dbraw/zinc/47/12/79/1054471279.db2.gz JCEUIIXWLLLRMJ-UHFFFAOYSA-N 1 0 345.487 4.026 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)cc1 ZINC000858377093 1054477259 /nfs/dbraw/zinc/47/72/59/1054477259.db2.gz VADFYGHFRRDTML-SFHVURJKSA-N 1 0 330.790 4.159 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1csc(Br)c1 ZINC001168580602 1054477976 /nfs/dbraw/zinc/47/79/76/1054477976.db2.gz PROQXZZWJSYOSA-UHFFFAOYSA-N 1 0 326.259 4.334 20 30 EIEDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000858390025 1054479740 /nfs/dbraw/zinc/47/97/40/1054479740.db2.gz SMOCDMNWHMGXLU-WRWORJQWSA-N 1 0 333.247 4.072 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C(F)(F)F)nc2)cc1 ZINC000873184529 1054505197 /nfs/dbraw/zinc/50/51/97/1054505197.db2.gz CQCOYXMLLXYAJR-CQSZACIVSA-N 1 0 348.368 4.353 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(F)cc2F)cc(OC)c1OC ZINC000105478319 1054524130 /nfs/dbraw/zinc/52/41/30/1054524130.db2.gz FVMQPMBWUYSANL-UHFFFAOYSA-N 1 0 333.378 4.000 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cccc3cccnc32)cc(OC)c1OC ZINC000105478174 1054524453 /nfs/dbraw/zinc/52/44/53/1054524453.db2.gz PETNAVYERFFHRI-UHFFFAOYSA-N 1 0 348.446 4.270 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccccc2OCC)cc(OC)c1OC ZINC000105478322 1054524820 /nfs/dbraw/zinc/52/48/20/1054524820.db2.gz VOVVNBKUJDAZQN-UHFFFAOYSA-N 1 0 341.451 4.121 20 30 EIEDRO C=CCC1(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC000825675374 1054528560 /nfs/dbraw/zinc/52/85/60/1054528560.db2.gz GSXMTCWIUIMDHY-UHFFFAOYSA-N 1 0 328.500 4.233 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282193920 1054533917 /nfs/dbraw/zinc/53/39/17/1054533917.db2.gz WTKLAXFKOWSGFT-VQIMIIECSA-N 1 0 334.467 4.032 20 30 EIEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Br)ccc1O ZINC000282205186 1054576716 /nfs/dbraw/zinc/57/67/16/1054576716.db2.gz HAWJEASCGAQHCR-HIFPTAJRSA-N 1 0 337.261 4.135 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(C)c(-c3ccsc3)c2)CC1 ZINC000874908442 1054739225 /nfs/dbraw/zinc/73/92/25/1054739225.db2.gz BIWQMRHYIHDNRJ-UHFFFAOYSA-N 1 0 338.476 4.007 20 30 EIEDRO CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000282237708 1054752814 /nfs/dbraw/zinc/75/28/14/1054752814.db2.gz IWELCKMYZDBNTN-GTPINHCMSA-N 1 0 342.487 4.197 20 30 EIEDRO C[C@@H](C#N)OCC[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1 ZINC000860068042 1054767302 /nfs/dbraw/zinc/76/73/02/1054767302.db2.gz JGRKCYWCXSFCNT-HNNXBMFYSA-N 1 0 339.464 4.160 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@H](OC)C2(CC)CC)c1 ZINC000776165483 1054792556 /nfs/dbraw/zinc/79/25/56/1054792556.db2.gz RDUWTXLUSGIJFV-NEWSRXKRSA-N 1 0 330.472 4.051 20 30 EIEDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(OCC#N)cc1)Oc1ccccc1C ZINC000776170269 1054801749 /nfs/dbraw/zinc/80/17/49/1054801749.db2.gz ORRMSQWKNXBIFX-PKOBYXMFSA-N 1 0 338.451 4.406 20 30 EIEDRO CCC(C#N)(CC)C(=O)OC[C@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000860655349 1054846058 /nfs/dbraw/zinc/84/60/58/1054846058.db2.gz KITXMOMNTUCCSE-UZLBHIALSA-N 1 0 346.446 4.035 20 30 EIEDRO C[NH+]1CCC(COc2ccccc2Nc2ccc(C#N)cc2F)CC1 ZINC001201574920 1054854937 /nfs/dbraw/zinc/85/49/37/1054854937.db2.gz FZXWCCXJELJCDE-UHFFFAOYSA-N 1 0 339.414 4.162 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(C[C@H](c3cnn(C)c3)CO2)CC1 ZINC001201813619 1054912862 /nfs/dbraw/zinc/91/28/62/1054912862.db2.gz HINJRWKTSYLDMJ-SFHVURJKSA-N 1 0 333.520 4.119 20 30 EIEDRO CCCCCCCC[NH+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 ZINC001201814854 1054914075 /nfs/dbraw/zinc/91/40/75/1054914075.db2.gz SPMXUCZXNHMIGX-ROUUACIJSA-N 1 0 334.529 4.112 20 30 EIEDRO CCCCCCC[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC001201776793 1054916217 /nfs/dbraw/zinc/91/62/17/1054916217.db2.gz LQNMTTPHYSRZLY-FQEVSTJZSA-N 1 0 346.515 4.192 20 30 EIEDRO CCCCCCCCC[N@H+]1Cc2nn(C)cc2[C@H](COCC2CC2)C1 ZINC001201838728 1054930783 /nfs/dbraw/zinc/93/07/83/1054930783.db2.gz FCLJVLAGSRVLQR-IBGZPJMESA-N 1 0 347.547 4.497 20 30 EIEDRO CCCCCCCCC[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001201840101 1054931888 /nfs/dbraw/zinc/93/18/88/1054931888.db2.gz UBFGIWYCVKQYTB-HXUWFJFHSA-N 1 0 347.547 4.492 20 30 EIEDRO CCCCCCCCC[NH+]1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001201839279 1054932401 /nfs/dbraw/zinc/93/24/01/1054932401.db2.gz JZUJMTUPXBTUMF-ROUUACIJSA-N 1 0 335.561 4.257 20 30 EIEDRO C[C@H](CCC#N)C[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000876767070 1054955255 /nfs/dbraw/zinc/95/52/55/1054955255.db2.gz AIUWENWPMQXOIV-MRXNPFEDSA-N 1 0 349.519 4.038 20 30 EIEDRO C=CCN1CC[C@]2(CCC[N@@H+](CC[C@@H](C)CCC=C(C)C)C2)C1=O ZINC001201977662 1054955580 /nfs/dbraw/zinc/95/55/80/1054955580.db2.gz VRWDTBLMPTYFIB-FPOVZHCZSA-N 1 0 332.532 4.260 20 30 EIEDRO C=C(C)CC[NH2+]Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC001202505731 1054981090 /nfs/dbraw/zinc/98/10/90/1054981090.db2.gz XRRMJKSCNCEYOB-UHFFFAOYSA-N 1 0 327.472 4.370 20 30 EIEDRO COc1ccc2cc(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)ccc2c1 ZINC000876908513 1054981856 /nfs/dbraw/zinc/98/18/56/1054981856.db2.gz NRYDEZFJEDQEBD-INIZCTEOSA-N 1 0 338.451 4.037 20 30 EIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000777223032 1055004461 /nfs/dbraw/zinc/00/44/61/1055004461.db2.gz VHBOYQUGZVTLRU-IBGZPJMESA-N 1 0 342.487 4.074 20 30 EIEDRO N#CCOc1cccc(N[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000877169177 1055031486 /nfs/dbraw/zinc/03/14/86/1055031486.db2.gz JALPTEHFFWMVIN-DENIHFKCSA-N 1 0 347.462 4.369 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)nc2)cc1 ZINC000126482144 1055044296 /nfs/dbraw/zinc/04/42/96/1055044296.db2.gz WIANLGHLMDKZFF-CQSZACIVSA-N 1 0 332.831 4.072 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000877424023 1055050655 /nfs/dbraw/zinc/05/06/55/1055050655.db2.gz DOQYYGOLRLVFEU-CQSZACIVSA-N 1 0 339.748 4.042 20 30 EIEDRO Cc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1-c1ccsc1 ZINC000877455718 1055056570 /nfs/dbraw/zinc/05/65/70/1055056570.db2.gz KVRRTALLTYAFPB-QGZVFWFLSA-N 1 0 327.453 4.073 20 30 EIEDRO N#CCc1cccc2c1CCN(Cc1cc3c(ccnc3Cl)o1)C2 ZINC000877660302 1055101207 /nfs/dbraw/zinc/10/12/07/1055101207.db2.gz LHUMGYYJGQQROR-UHFFFAOYSA-N 1 0 337.810 4.106 20 30 EIEDRO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1cccs1 ZINC000877905005 1055149162 /nfs/dbraw/zinc/14/91/62/1055149162.db2.gz VLYRXUROLFOXAO-IBGZPJMESA-N 1 0 326.465 4.011 20 30 EIEDRO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1C ZINC000877929538 1055154818 /nfs/dbraw/zinc/15/48/18/1055154818.db2.gz GVPRXMCCOUNKCD-QFIPXVFZSA-N 1 0 334.463 4.258 20 30 EIEDRO C=CCC1(C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CCCC1 ZINC001202380648 1055158366 /nfs/dbraw/zinc/15/83/66/1055158366.db2.gz FVBVZSVQTNHTMX-AWEZNQCLSA-N 1 0 346.462 4.261 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000877944623 1055159480 /nfs/dbraw/zinc/15/94/80/1055159480.db2.gz FZXFDVFUOOILEK-FQEVSTJZSA-N 1 0 340.854 4.212 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccc(C)cc1)c1ccccc1 ZINC000877968087 1055166004 /nfs/dbraw/zinc/16/60/04/1055166004.db2.gz IJXNLQRTNMPHKK-PGRDOPGGSA-N 1 0 334.463 4.429 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H](C)c1ccccc1C)c1ccccc1 ZINC000877987255 1055169863 /nfs/dbraw/zinc/16/98/63/1055169863.db2.gz CJHHKEKLIHNBPN-GCJKJVERSA-N 1 0 334.463 4.429 20 30 EIEDRO CC[N@H+](CCc1cccs1)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878014282 1055174610 /nfs/dbraw/zinc/17/46/10/1055174610.db2.gz JMCXRPZRNBAVEX-FQEVSTJZSA-N 1 0 340.492 4.053 20 30 EIEDRO CC[C@H](C)[C@H](C)[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056078 1055182189 /nfs/dbraw/zinc/18/21/89/1055182189.db2.gz ADTAOKHHOKWASR-FIKGOQFSSA-N 1 0 326.484 4.326 20 30 EIEDRO CC[N@@H+](Cc1ccc(C#N)cc1C)CC1CCN(c2ccccn2)CC1 ZINC000186246193 1055274230 /nfs/dbraw/zinc/27/42/30/1055274230.db2.gz NXQDMCCNBJTOTL-UHFFFAOYSA-N 1 0 348.494 4.000 20 30 EIEDRO C=CC(C)(C)CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000624465219 1055306677 /nfs/dbraw/zinc/30/66/77/1055306677.db2.gz IDPDZEXMLBBXCI-WBVHZDCISA-N 1 0 349.544 4.033 20 30 EIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)cc1 ZINC000186323252 1055350204 /nfs/dbraw/zinc/35/02/04/1055350204.db2.gz HYAKVDVLDWLUAJ-MRXNPFEDSA-N 1 0 330.435 4.212 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1cccc(C#N)c1 ZINC000902752054 1055371361 /nfs/dbraw/zinc/37/13/61/1055371361.db2.gz FXMJUZCKVSHLTH-IFXJQAMLSA-N 1 0 333.435 4.245 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000091069128 1055513776 /nfs/dbraw/zinc/51/37/76/1055513776.db2.gz CUILOTRITDZFNM-JKSUJKDBSA-N 1 0 336.819 4.032 20 30 EIEDRO C=C(C[NH2+][C@H]1CC[C@H](C(=O)OCC)c2ccccc21)c1ccccc1 ZINC000338671775 1055515663 /nfs/dbraw/zinc/51/56/63/1055515663.db2.gz GXBDGXUNYPVBKT-SFTDATJTSA-N 1 0 335.447 4.471 20 30 EIEDRO C[C@](O)(C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(Cl)c1 ZINC000765820380 1055577826 /nfs/dbraw/zinc/57/78/26/1055577826.db2.gz WWXLCKOSQKXMKU-PMACEKPBSA-N 1 0 340.854 4.086 20 30 EIEDRO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273422258 1055806854 /nfs/dbraw/zinc/80/68/54/1055806854.db2.gz KAMJHKHLKNDGPZ-UXHICEINSA-N 1 0 342.389 4.189 20 30 EIEDRO C=CCC[C@@H](C)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000542703141 1055851872 /nfs/dbraw/zinc/85/18/72/1055851872.db2.gz GXJWEQPPISFHBC-QGZVFWFLSA-N 1 0 329.488 4.268 20 30 EIEDRO Cc1nc(CN(Cc2ccc(C#N)cc2)C(C)C)nc2ccccc12 ZINC000107896761 1055890713 /nfs/dbraw/zinc/89/07/13/1055890713.db2.gz NSGYZYSGFISEDG-UHFFFAOYSA-N 1 0 330.435 4.221 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1ccc(C#N)cn1)c1ccccc1Cl ZINC000301059967 1055891716 /nfs/dbraw/zinc/89/17/16/1055891716.db2.gz ACSRLAPCACDNBT-QGZVFWFLSA-N 1 0 328.847 4.102 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1CNc1ccc(Cl)c(C#N)n1 ZINC000301156788 1055900478 /nfs/dbraw/zinc/90/04/78/1055900478.db2.gz RQYZBEKPVOGSCB-UHFFFAOYSA-N 1 0 328.847 4.061 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)s1 ZINC000273527653 1055908223 /nfs/dbraw/zinc/90/82/23/1055908223.db2.gz RZXVGXRHDPPUFX-DGCLKSJQSA-N 1 0 347.871 4.341 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(Cl)s1 ZINC000273527650 1055908450 /nfs/dbraw/zinc/90/84/50/1055908450.db2.gz RZXVGXRHDPPUFX-AAEUAGOBSA-N 1 0 347.871 4.341 20 30 EIEDRO N#Cc1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000301221706 1055910790 /nfs/dbraw/zinc/91/07/90/1055910790.db2.gz ASHWLALHSDBMJH-UHFFFAOYSA-N 1 0 343.833 4.427 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(NC3CC[NH+](C(C)(C)C)CC3)c2c1 ZINC000301378573 1055928823 /nfs/dbraw/zinc/92/88/23/1055928823.db2.gz SNYWUHBRQALXBJ-UHFFFAOYSA-N 1 0 336.483 4.398 20 30 EIEDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000301518500 1055945048 /nfs/dbraw/zinc/94/50/48/1055945048.db2.gz GZUVKDUBRKFZHY-HUUCEWRRSA-N 1 0 328.847 4.045 20 30 EIEDRO N#Cc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c2ccccc2n1 ZINC000301553811 1055949490 /nfs/dbraw/zinc/94/94/90/1055949490.db2.gz RJGIRHZCUQKPSZ-GOSISDBHSA-N 1 0 348.494 4.199 20 30 EIEDRO N#Cc1ccc(NC2CC[NH+](C3CCCC3)CC2)cc1C(F)(F)F ZINC000301562462 1055951541 /nfs/dbraw/zinc/95/15/41/1055951541.db2.gz UTDQDBBQUGOQPS-UHFFFAOYSA-N 1 0 337.389 4.396 20 30 EIEDRO N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000301807160 1055986203 /nfs/dbraw/zinc/98/62/03/1055986203.db2.gz YFKVUVGPIWTJEX-WMLDXEAASA-N 1 0 349.400 4.030 20 30 EIEDRO CC(C)[N@H+](C)Cc1ccccc1CNc1nc2c(cc1C#N)CCCC2 ZINC000301900755 1055999611 /nfs/dbraw/zinc/99/96/11/1055999611.db2.gz VBEPKCQTBKCGEN-UHFFFAOYSA-N 1 0 348.494 4.284 20 30 EIEDRO N#Cc1ccc2nc(N3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc2c1 ZINC000301991150 1056007264 /nfs/dbraw/zinc/00/72/64/1056007264.db2.gz XZPCQJUGKMOWNB-IBGZPJMESA-N 1 0 348.494 4.199 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)nc1 ZINC000554077502 1056009673 /nfs/dbraw/zinc/00/96/73/1056009673.db2.gz OCGUKNNPHDQINO-AEFFLSMTSA-N 1 0 345.368 4.398 20 30 EIEDRO N#Cc1cccc(C#N)c1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000302891792 1056086075 /nfs/dbraw/zinc/08/60/75/1056086075.db2.gz PTDOWOUCYCJNNR-UHFFFAOYSA-N 1 0 344.462 4.418 20 30 EIEDRO COc1ccc([C@@H]2C[C@H]([N@H+](CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653661 1056159666 /nfs/dbraw/zinc/15/96/66/1056159666.db2.gz NJGWTVGXRCHRQG-QUCCMNQESA-N 1 0 328.456 4.074 20 30 EIEDRO CC(C)c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000542843273 1056217885 /nfs/dbraw/zinc/21/78/85/1056217885.db2.gz MTXMVCNMTDQPHK-UHFFFAOYSA-N 1 0 347.506 4.436 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)c(C#N)c1C ZINC000073618811 1056584645 /nfs/dbraw/zinc/58/46/45/1056584645.db2.gz GTGJBZDWRKLAFK-NEPJUHHUSA-N 1 0 345.830 4.099 20 30 EIEDRO CC[N@H+](CCc1nc(-c2ccccc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000074350235 1056685471 /nfs/dbraw/zinc/68/54/71/1056685471.db2.gz DPUJTLSSDMAXGC-INIZCTEOSA-N 1 0 346.434 4.234 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1)C(C)C ZINC000153879563 1056690779 /nfs/dbraw/zinc/69/07/79/1056690779.db2.gz AHGOYQZSZGHAGF-UHFFFAOYSA-N 1 0 349.478 4.061 20 30 EIEDRO [NH2+]=C(N[C@@H]1Cc2cccc(Cl)c2C1)c1ccc(C(F)(F)F)cc1 ZINC001168685493 1056730355 /nfs/dbraw/zinc/73/03/55/1056730355.db2.gz QSKXVCJVKXQHOG-CYBMUJFWSA-N 1 0 338.760 4.232 20 30 EIEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000063524664 1056815805 /nfs/dbraw/zinc/81/58/05/1056815805.db2.gz DQMYGVDNHUEGRO-HXUWFJFHSA-N 1 0 333.435 4.032 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000063558931 1056819452 /nfs/dbraw/zinc/81/94/52/1056819452.db2.gz LIIDIEXLCXEGHK-CYBMUJFWSA-N 1 0 334.341 4.350 20 30 EIEDRO Cc1cccc(C2(O)CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1C ZINC000741804643 1058382414 /nfs/dbraw/zinc/38/24/14/1058382414.db2.gz NUQZCVZZOHCACD-SFHVURJKSA-N 1 0 334.463 4.220 20 30 EIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC#N)cc2)C12CCCCC2 ZINC000741803464 1058383495 /nfs/dbraw/zinc/38/34/95/1058383495.db2.gz BZENRNQYTPPMOW-WOJBJXKFSA-N 1 0 342.483 4.149 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](OC)c2ccc(Cl)cc2)cc1 ZINC000742376896 1058602067 /nfs/dbraw/zinc/60/20/67/1058602067.db2.gz CWXSWEJOTRFCRS-HXUWFJFHSA-N 1 0 343.854 4.219 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000743852567 1059156260 /nfs/dbraw/zinc/15/62/60/1059156260.db2.gz PUPMJMZMQSAZGF-SFHVURJKSA-N 1 0 348.874 4.166 20 30 EIEDRO N#CCOc1ccc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000743859558 1059170272 /nfs/dbraw/zinc/17/02/72/1059170272.db2.gz BXEUCZFXPKGQKM-SFHVURJKSA-N 1 0 338.476 4.203 20 30 EIEDRO Cc1cc(C)c(C#N)c(NC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000744171275 1059301981 /nfs/dbraw/zinc/30/19/81/1059301981.db2.gz FZEKZYAUKCSFIZ-UHFFFAOYSA-N 1 0 326.488 4.027 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000744447553 1059521236 /nfs/dbraw/zinc/52/12/36/1059521236.db2.gz LLRINNDPUPXQFV-BFUOFWGJSA-N 1 0 349.833 4.256 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745707321 1059880601 /nfs/dbraw/zinc/88/06/01/1059880601.db2.gz ZLYAYXZHPUXNGX-RCCFBDPRSA-N 1 0 325.541 4.107 20 30 EIEDRO C[N@H+](CCCOc1cccc(C#N)c1)CCc1ccc(Cl)cc1 ZINC001168776747 1060117064 /nfs/dbraw/zinc/11/70/64/1060117064.db2.gz VMAOGXOHYGBNQL-UHFFFAOYSA-N 1 0 328.843 4.155 20 30 EIEDRO COC(=O)C1(C)CCC([N@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001168789604 1060345781 /nfs/dbraw/zinc/34/57/81/1060345781.db2.gz LOCFCNSEADAOKB-UHFFFAOYSA-N 1 0 348.874 4.178 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)c(F)c1 ZINC000766470468 1060374564 /nfs/dbraw/zinc/37/45/64/1060374564.db2.gz HNRTVZNLZHUXSZ-JOCHJYFZSA-N 1 0 346.405 4.188 20 30 EIEDRO Cc1oc2ccccc2c1CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000766479882 1060386213 /nfs/dbraw/zinc/38/62/13/1060386213.db2.gz QICHJBHTMABVND-HNNXBMFYSA-N 1 0 334.419 4.364 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccncc2)cc1 ZINC000766487110 1060391682 /nfs/dbraw/zinc/39/16/82/1060391682.db2.gz CQGUZABCVFHKMV-HZPDHXFCSA-N 1 0 330.859 4.495 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000766537900 1060514649 /nfs/dbraw/zinc/51/46/49/1060514649.db2.gz NGLBDBKYFJGLKW-VYDXJSESSA-N 1 0 334.891 4.094 20 30 EIEDRO C[C@H](c1ccccc1)N(C1=CC(=O)CCC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169160355 1060673100 /nfs/dbraw/zinc/67/31/00/1060673100.db2.gz CYNVPILWVSQRNU-RDPOXOKHSA-N 1 0 338.495 4.312 20 30 EIEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(C(C)(C)C)CC1 ZINC001169306617 1060765581 /nfs/dbraw/zinc/76/55/81/1060765581.db2.gz HXIFJJSPEGTEAT-BQIYRTECSA-N 1 0 347.547 4.064 20 30 EIEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001169364736 1060782155 /nfs/dbraw/zinc/78/21/55/1060782155.db2.gz FFOPBEBCXQSFDL-IEZWGBDMSA-N 1 0 327.472 4.080 20 30 EIEDRO CN(C)/C=[NH+]/c1ccc(NCCc2coc3ccccc23)cc1C#N ZINC001169598355 1060865213 /nfs/dbraw/zinc/86/52/13/1060865213.db2.gz OUKWVBCMFGFKLB-OEAKJJBVSA-N 1 0 332.407 4.180 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000767357461 1061208007 /nfs/dbraw/zinc/20/80/07/1061208007.db2.gz AFVPYHGXLAJBSI-ZDUSSCGKSA-N 1 0 329.241 4.214 20 30 EIEDRO N#Cc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532243983 1032119737 /nfs/dbraw/zinc/11/97/37/1032119737.db2.gz QSDWFWGEHRNBBH-GOTSBHOMSA-N 1 0 345.490 4.045 20 30 EIEDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000236943991 1032211982 /nfs/dbraw/zinc/21/19/82/1032211982.db2.gz HAABKRSNTSRMNY-SJLPKXTDSA-N 1 0 330.472 4.436 20 30 EIEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000237496219 1032229032 /nfs/dbraw/zinc/22/90/32/1032229032.db2.gz FAZWOZGXPWDJGI-QZTJIDSGSA-N 1 0 336.483 4.380 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCc2csc3ccccc23)O1 ZINC000360060148 1032236980 /nfs/dbraw/zinc/23/69/80/1032236980.db2.gz PROSHSJDDTYLON-NXWXRZEISA-N 1 0 340.492 4.273 20 30 EIEDRO C=CCN1CCC([NH2+]Cc2cnc(-c3ccc(C)c(C)c3)s2)CC1 ZINC000655731195 1032261196 /nfs/dbraw/zinc/26/11/96/1032261196.db2.gz QVPMPKXDJBGKDN-UHFFFAOYSA-N 1 0 341.524 4.167 20 30 EIEDRO Cc1ccc(Br)cc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000190699093 1032305782 /nfs/dbraw/zinc/30/57/82/1032305782.db2.gz LNLRYANCIPNNDT-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO CCC[N@H+](Cc1cnc2ccc(Cl)cn12)Cc1ccc(C#N)cc1 ZINC000508630377 1032411553 /nfs/dbraw/zinc/41/15/53/1032411553.db2.gz DUPHMPPFZYTZBA-UHFFFAOYSA-N 1 0 338.842 4.272 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000245764147 1032468509 /nfs/dbraw/zinc/46/85/09/1032468509.db2.gz QKCRALXISYWRLE-PXNSSMCTSA-N 1 0 348.446 4.215 20 30 EIEDRO C=CCC1(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000450479925 1032523526 /nfs/dbraw/zinc/52/35/26/1032523526.db2.gz RTVJCQDKLXSACN-AZUAARDMSA-N 1 0 340.511 4.150 20 30 EIEDRO CC[C@H](C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 ZINC000529670767 1032524618 /nfs/dbraw/zinc/52/46/18/1032524618.db2.gz APXPFAQEPCLWKA-LJQANCHMSA-N 1 0 334.463 4.347 20 30 EIEDRO C[C@@H](C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)c1ccc(F)cc1 ZINC000529681163 1032528979 /nfs/dbraw/zinc/52/89/79/1032528979.db2.gz WFFRNZQLWYLWPU-INIZCTEOSA-N 1 0 338.426 4.096 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2ccc(-c3ccncc3)cc2F)cc1 ZINC000178920560 1032545916 /nfs/dbraw/zinc/54/59/16/1032545916.db2.gz NDLOTTWGWUANLO-UHFFFAOYSA-N 1 0 347.393 4.080 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000245937092 1032563707 /nfs/dbraw/zinc/56/37/07/1032563707.db2.gz AHDQXSYVDIRTKL-KKSFZXQISA-N 1 0 336.435 4.323 20 30 EIEDRO CCC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC(C)C ZINC000533251071 1032564217 /nfs/dbraw/zinc/56/42/17/1032564217.db2.gz ANECTWMQKGSEKC-MRXNPFEDSA-N 1 0 347.528 4.245 20 30 EIEDRO CC[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000533288575 1032599950 /nfs/dbraw/zinc/59/99/50/1032599950.db2.gz PKAGHEFXWAJYMV-AWEZNQCLSA-N 1 0 345.512 4.092 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1c(C)noc1C ZINC000121293883 1032619573 /nfs/dbraw/zinc/61/95/73/1032619573.db2.gz HBQDXBZXNQEVDM-GOSISDBHSA-N 1 0 327.428 4.215 20 30 EIEDRO CCN(CCSc1ccnc2cc(Cl)ccc21)C[C@@H](C)C#N ZINC000512428405 1032744996 /nfs/dbraw/zinc/74/49/96/1032744996.db2.gz SZNZXJGCZGGUKQ-ZDUSSCGKSA-N 1 0 333.888 4.462 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)c(F)c1 ZINC000533446970 1032780493 /nfs/dbraw/zinc/78/04/93/1032780493.db2.gz SQIIEFYTAPKPIY-UHFFFAOYSA-N 1 0 345.830 4.293 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000455249451 1032780584 /nfs/dbraw/zinc/78/05/84/1032780584.db2.gz QMLPQLOGSNZMKI-GOSISDBHSA-N 1 0 343.515 4.487 20 30 EIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3sccc3CC#N)c2C1 ZINC000866838409 1018742952 /nfs/dbraw/zinc/74/29/52/1018742952.db2.gz KNKQMWRYEVVWFZ-UHFFFAOYSA-N 1 0 339.464 4.038 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000429582236 1032785209 /nfs/dbraw/zinc/78/52/09/1032785209.db2.gz AJKYJJUKXIVSAQ-CQSZACIVSA-N 1 0 336.501 4.244 20 30 EIEDRO C=CCC[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)c1ccccc1 ZINC000547647218 1019041042 /nfs/dbraw/zinc/04/10/42/1019041042.db2.gz XJUNJPBKEJHGBS-OAQYLSRUSA-N 1 0 342.527 4.315 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430201941 1019264950 /nfs/dbraw/zinc/26/49/50/1019264950.db2.gz KVSDTQHQEBMBIJ-GOSISDBHSA-N 1 0 326.396 4.401 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCSC3(CCC3)CC2)c(C(F)(F)F)c1 ZINC000414482841 1019365356 /nfs/dbraw/zinc/36/53/56/1019365356.db2.gz XYPIVAPOLCVWRN-UHFFFAOYSA-N 1 0 340.414 4.439 20 30 EIEDRO C=CCOC(=O)N1CCC2(CC1)CC[NH+](CCC1CCCC1)CC2 ZINC001208690796 1019603963 /nfs/dbraw/zinc/60/39/63/1019603963.db2.gz VLDPBIVROITMNC-UHFFFAOYSA-N 1 0 334.504 4.067 20 30 EIEDRO CCC[N@@H+]1Cc2cccc(N=Cc3cc4ccccc4[nH]c3=O)c2C1 ZINC000254975354 1019664208 /nfs/dbraw/zinc/66/42/08/1019664208.db2.gz QXCYNMDDQUXUOO-UHFFFAOYSA-N 1 0 331.419 4.417 20 30 EIEDRO N#Cc1ccc(CCC[NH+]2CCC3(CC2)OCCc2ccccc23)cc1 ZINC001208863133 1019758219 /nfs/dbraw/zinc/75/82/19/1019758219.db2.gz YETYJQJTTNNGJU-UHFFFAOYSA-N 1 0 346.474 4.055 20 30 EIEDRO Cc1ccc(C[N@H+](C)CCCOc2cccc(Cl)c2)cc1C#N ZINC001167094141 1019903622 /nfs/dbraw/zinc/90/36/22/1019903622.db2.gz FLIOTRFDQFTSSQ-UHFFFAOYSA-N 1 0 328.843 4.421 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C12CCCCC2 ZINC000236891990 1032863047 /nfs/dbraw/zinc/86/30/47/1032863047.db2.gz FJPIKOPSRPZXGM-FFZOFVMBSA-N 1 0 342.483 4.195 20 30 EIEDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(C#N)s1 ZINC000134824069 1020026116 /nfs/dbraw/zinc/02/61/16/1020026116.db2.gz CRJDHOVYCNMGBU-STQMWFEESA-N 1 0 347.434 4.075 20 30 EIEDRO C=CCCOCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000537949388 1020028864 /nfs/dbraw/zinc/02/88/64/1020028864.db2.gz DEVNUKBVJURKSE-INIZCTEOSA-N 1 0 328.481 4.370 20 30 EIEDRO CC(C)(C)[NH+]1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302240959 1020093097 /nfs/dbraw/zinc/09/30/97/1020093097.db2.gz NNUWTDGPBKTYEV-UHFFFAOYSA-N 1 0 325.378 4.252 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cccc3cc[nH]c32)ccc1OC ZINC000236895180 1032875204 /nfs/dbraw/zinc/87/52/04/1032875204.db2.gz WRJLGKAPQCBHPK-GOSISDBHSA-N 1 0 349.434 4.147 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1 ZINC000237704275 1032878991 /nfs/dbraw/zinc/87/89/91/1032878991.db2.gz OZWKWOQBFNHQNY-KBPBESRZSA-N 1 0 346.377 4.430 20 30 EIEDRO C=CCCCCC[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001209432889 1020327406 /nfs/dbraw/zinc/32/74/06/1020327406.db2.gz LZNNTYSJGLMEBX-AWEZNQCLSA-N 1 0 343.393 4.085 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CCc2ncn(C)c2[C@@H]1COCC=C ZINC001209439714 1020342991 /nfs/dbraw/zinc/34/29/91/1020342991.db2.gz WPQIEXXQTOFVIP-IBGZPJMESA-N 1 0 331.504 4.049 20 30 EIEDRO C=CCCCCCCC[N@@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001209439675 1020343302 /nfs/dbraw/zinc/34/33/02/1020343302.db2.gz VMTBJEOYSDSBFJ-OAQYLSRUSA-N 1 0 341.499 4.037 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000748099560 1020344088 /nfs/dbraw/zinc/34/40/88/1020344088.db2.gz ZAVGQMMMDOYYHK-BJOHPYRUSA-N 1 0 341.263 4.138 20 30 EIEDRO N#CCCN(Cc1ccc(Cl)cc1)c1cc(N2CCCC2)cc[nH+]1 ZINC001167141569 1020345644 /nfs/dbraw/zinc/34/56/44/1020345644.db2.gz XEUGYZLXTLHJQN-UHFFFAOYSA-N 1 0 340.858 4.255 20 30 EIEDRO C=CCCCCCCC[NH+]1CCC2(CC1)OC(=O)c1ncccc12 ZINC001209441180 1020349832 /nfs/dbraw/zinc/34/98/32/1020349832.db2.gz FWOIPLKULRNFCO-UHFFFAOYSA-N 1 0 328.456 4.070 20 30 EIEDRO C=CCCCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001209444291 1020353344 /nfs/dbraw/zinc/35/33/44/1020353344.db2.gz OWIPWSKANGMFCV-VQTJNVASSA-N 1 0 334.548 4.482 20 30 EIEDRO C=CCCCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001209444289 1020354172 /nfs/dbraw/zinc/35/41/72/1020354172.db2.gz OWIPWSKANGMFCV-PMACEKPBSA-N 1 0 334.548 4.482 20 30 EIEDRO C=CCCCCCCCCN1CCn2c(Br)cnc2C1 ZINC001209443989 1020354672 /nfs/dbraw/zinc/35/46/72/1020354672.db2.gz JGJUEJBOIVIHQR-UHFFFAOYSA-N 1 0 340.309 4.378 20 30 EIEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000024082765 1020483008 /nfs/dbraw/zinc/48/30/08/1020483008.db2.gz CGNFTADCKPPQTD-QGZVFWFLSA-N 1 0 337.467 4.204 20 30 EIEDRO C#CC[N@@H+](CCOc1ccc(Cl)c(F)c1)[C@@H]1CCc2ccccc21 ZINC001167179449 1020489053 /nfs/dbraw/zinc/48/90/53/1020489053.db2.gz ZYNYFPYXBSCXAP-HXUWFJFHSA-N 1 0 343.829 4.481 20 30 EIEDRO CCOc1ccc2c(c1)CN(CC#Cc1ccc(Cl)cc1)CC2 ZINC001167205859 1020548306 /nfs/dbraw/zinc/54/83/06/1020548306.db2.gz KDFYJOWXEZGXES-UHFFFAOYSA-N 1 0 325.839 4.149 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(Br)c(F)c1F)C1CCCCC1 ZINC001167274124 1020754446 /nfs/dbraw/zinc/75/44/46/1020754446.db2.gz YTVSWKDBIOEBMA-UHFFFAOYSA-N 1 0 342.227 4.495 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cc1OCCCC#N ZINC000340365656 1020803244 /nfs/dbraw/zinc/80/32/44/1020803244.db2.gz JIWNTBWHPZGELY-JFIYKMOQSA-N 1 0 330.472 4.292 20 30 EIEDRO C=CCC[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1ccccc1 ZINC000275570145 1020822171 /nfs/dbraw/zinc/82/21/71/1020822171.db2.gz CHFHCAQWIYGBEE-FQEVSTJZSA-N 1 0 336.479 4.479 20 30 EIEDRO C[C@H](Cc1cccc(Br)c1)[NH2+]Cc1ccc(C#N)s1 ZINC000176955876 1020939886 /nfs/dbraw/zinc/93/98/86/1020939886.db2.gz WECOFTSHCMLDNV-LLVKDONJSA-N 1 0 335.270 4.103 20 30 EIEDRO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](CCCC#N)c3ccccc3)c(C)n2n1 ZINC000340444776 1021039775 /nfs/dbraw/zinc/03/97/75/1021039775.db2.gz JKSPBOMTOKUSLO-UZLBHIALSA-N 1 0 347.466 4.432 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000340448388 1021045125 /nfs/dbraw/zinc/04/51/25/1021045125.db2.gz SFSWSXSYNYUTRB-JOCHJYFZSA-N 1 0 348.494 4.071 20 30 EIEDRO Cc1noc(C2CCC([NH2+][C@H](CCCC#N)c3ccccc3)CC2)n1 ZINC000340449757 1021045667 /nfs/dbraw/zinc/04/56/67/1021045667.db2.gz WRAQVJHIHRVZGZ-CTWPCTMYSA-N 1 0 338.455 4.429 20 30 EIEDRO CC(C)[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(Cl)cc1 ZINC000560243163 1021047269 /nfs/dbraw/zinc/04/72/69/1021047269.db2.gz BDVYGHAQDIERMM-IBGZPJMESA-N 1 0 338.842 4.346 20 30 EIEDRO CC1(c2cccc(Br)c2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000579978343 1021069030 /nfs/dbraw/zinc/06/90/30/1021069030.db2.gz WTFWFNUXCXAUCS-PBHICJAKSA-N 1 0 347.300 4.495 20 30 EIEDRO CC1(c2cccc(Br)c2)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000579978344 1021069090 /nfs/dbraw/zinc/06/90/90/1021069090.db2.gz WTFWFNUXCXAUCS-RHSMWYFYSA-N 1 0 347.300 4.495 20 30 EIEDRO CC1(C)CCCC[C@H]1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001167317967 1021070020 /nfs/dbraw/zinc/07/00/20/1021070020.db2.gz AIPPKTXRWZMOCC-IBGZPJMESA-N 1 0 325.500 4.287 20 30 EIEDRO Cc1cc(Cl)c2ncc(C#N)c(NC3CC[NH+](C(C)C)CC3)c2c1 ZINC000548952366 1021260308 /nfs/dbraw/zinc/26/03/08/1021260308.db2.gz KTJNAXHPCBGAEP-UHFFFAOYSA-N 1 0 342.874 4.353 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F)c1cccc(C#N)c1 ZINC000610343459 1021337852 /nfs/dbraw/zinc/33/78/52/1021337852.db2.gz HOMYDFJTYAADOW-NEPJUHHUSA-N 1 0 345.805 4.029 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000683772430 1021456836 /nfs/dbraw/zinc/45/68/36/1021456836.db2.gz RSHBCVXOKWZPQZ-UHFFFAOYSA-N 1 0 340.348 4.395 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000177697208 1021543307 /nfs/dbraw/zinc/54/33/07/1021543307.db2.gz AQYZYIZAXADDSC-HNNXBMFYSA-N 1 0 333.254 4.159 20 30 EIEDRO C=CCC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000610371932 1021557419 /nfs/dbraw/zinc/55/74/19/1021557419.db2.gz HFIFBPBYWBPFSE-AWEZNQCLSA-N 1 0 327.209 4.004 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc4ccccc4c3)CC2)cc1 ZINC000580104481 1021652626 /nfs/dbraw/zinc/65/26/26/1021652626.db2.gz TUYZGOPPJNTGDQ-UHFFFAOYSA-N 1 0 341.458 4.470 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c(OC(F)F)c1 ZINC001167381144 1021863578 /nfs/dbraw/zinc/86/35/78/1021863578.db2.gz KGMHRJGDHAREHT-LJQANCHMSA-N 1 0 332.394 4.482 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)c(C(F)(F)F)c1 ZINC000581755496 1021866621 /nfs/dbraw/zinc/86/66/21/1021866621.db2.gz NSZPRQRRILRYQA-UHFFFAOYSA-N 1 0 343.352 4.391 20 30 EIEDRO CC(C)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] ZINC000581681307 1021867955 /nfs/dbraw/zinc/86/79/55/1021867955.db2.gz JVOCKMHFOFZBAZ-UHFFFAOYSA-N 1 0 335.407 4.369 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001167387903 1021935331 /nfs/dbraw/zinc/93/53/31/1021935331.db2.gz YLXRUCHGVPTOQS-INIZCTEOSA-N 1 0 348.918 4.413 20 30 EIEDRO CCc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000376280331 1021990616 /nfs/dbraw/zinc/99/06/16/1021990616.db2.gz HLHOGKDOFBFUAQ-MRXNPFEDSA-N 1 0 344.462 4.372 20 30 EIEDRO Cc1nc2c(cccc2C(=O)NCC2CC[NH+](CCC(C)C)CC2)o1 ZINC000329980281 1022188480 /nfs/dbraw/zinc/18/84/80/1022188480.db2.gz LAYGBLCXFIJHEX-UHFFFAOYSA-N 1 0 343.471 4.199 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H](c1ccccc1)N(C)C ZINC000471592037 1022203772 /nfs/dbraw/zinc/20/37/72/1022203772.db2.gz BLFXGUUVQANZKU-BXTJHSDWSA-N 1 0 325.431 4.039 20 30 EIEDRO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000610447533 1022232771 /nfs/dbraw/zinc/23/27/71/1022232771.db2.gz JBUJCRVCRNHDLL-QGZVFWFLSA-N 1 0 325.500 4.232 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000537400827 1022333938 /nfs/dbraw/zinc/33/39/38/1022333938.db2.gz KDMVODUQKWRNFW-KKSFZXQISA-N 1 0 339.458 4.431 20 30 EIEDRO Cc1cccc([C@H](C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180240292 1022338304 /nfs/dbraw/zinc/33/83/04/1022338304.db2.gz IQKDSNBCFRWZQX-QGZVFWFLSA-N 1 0 344.462 4.161 20 30 EIEDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1F ZINC000181574035 1022392951 /nfs/dbraw/zinc/39/29/51/1022392951.db2.gz CEQQDVVEATWORO-AWEZNQCLSA-N 1 0 334.398 4.042 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000414294771 1022424009 /nfs/dbraw/zinc/42/40/09/1022424009.db2.gz DUXWWYVHWAGIPP-APWZRJJASA-N 1 0 334.467 4.184 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000414297328 1022437797 /nfs/dbraw/zinc/43/77/97/1022437797.db2.gz HGYAFBZYEPQYMY-FQEVSTJZSA-N 1 0 342.527 4.191 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000414305944 1022464947 /nfs/dbraw/zinc/46/49/47/1022464947.db2.gz QMPJIYIJHHGSCV-QAPCUYQASA-N 1 0 344.524 4.478 20 30 EIEDRO CCc1nc(C)c([C@@H](C)[NH2+]CCSCc2ccccc2C#N)s1 ZINC000177821124 1022529934 /nfs/dbraw/zinc/52/99/34/1022529934.db2.gz UIYQATVRAIUPMZ-CYBMUJFWSA-N 1 0 345.537 4.470 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cnn3ccccc23)cc1 ZINC000180335068 1022561955 /nfs/dbraw/zinc/56/19/55/1022561955.db2.gz NUXBOGXUTNHPRH-UHFFFAOYSA-N 1 0 338.414 4.163 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cnc3ccccn23)cc1 ZINC000180334935 1022565443 /nfs/dbraw/zinc/56/54/43/1022565443.db2.gz NHGRGGSBGYYECB-UHFFFAOYSA-N 1 0 338.414 4.163 20 30 EIEDRO C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000580831373 1022584062 /nfs/dbraw/zinc/58/40/62/1022584062.db2.gz QALXOZRAXRWVHK-FQEVSTJZSA-N 1 0 344.474 4.323 20 30 EIEDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000278803962 1022610413 /nfs/dbraw/zinc/61/04/13/1022610413.db2.gz RKBYUYRBORNBTF-OAQYLSRUSA-N 1 0 349.478 4.329 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccccc1 ZINC000893191694 1022621449 /nfs/dbraw/zinc/62/14/49/1022621449.db2.gz NGZYRPZVRXIUMP-INIZCTEOSA-N 1 0 342.395 4.106 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000068985478 1022652065 /nfs/dbraw/zinc/65/20/65/1022652065.db2.gz WILFAFGMYJPLLJ-LJQANCHMSA-N 1 0 340.398 4.122 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000068985481 1022653248 /nfs/dbraw/zinc/65/32/48/1022653248.db2.gz WILFAFGMYJPLLJ-IBGZPJMESA-N 1 0 340.398 4.122 20 30 EIEDRO C=CCCCN(CC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000893197924 1022660400 /nfs/dbraw/zinc/66/04/00/1022660400.db2.gz DZSBFDFAFFWKHA-WMZOPIPTSA-N 1 0 349.544 4.129 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1ncc(C#N)cc1Cl)c1ccsc1 ZINC000339136813 1022664609 /nfs/dbraw/zinc/66/46/09/1022664609.db2.gz NGBJDTFXQNBNGF-OAHLLOKOSA-N 1 0 334.876 4.163 20 30 EIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000177858859 1022717059 /nfs/dbraw/zinc/71/70/59/1022717059.db2.gz IVGDVSCIELWULG-SFHVURJKSA-N 1 0 327.359 4.237 20 30 EIEDRO CCO[C@H](CC[NH2+][C@H](C)c1ccc(OCC#N)cc1)C1CCCC1 ZINC000181850037 1022728257 /nfs/dbraw/zinc/72/82/57/1022728257.db2.gz WHYPKRAHJIZUEY-OXQOHEQNSA-N 1 0 330.472 4.225 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)s1 ZINC000180620740 1022752514 /nfs/dbraw/zinc/75/25/14/1022752514.db2.gz SRXYCCRLAWDOIW-YOEHRIQHSA-N 1 0 330.453 4.081 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(-c2cncnc2)cc1 ZINC000378449566 1022826202 /nfs/dbraw/zinc/82/62/02/1022826202.db2.gz GEVRDJLXGGICCM-HOTGVXAUSA-N 1 0 328.419 4.427 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1Cl ZINC000376490486 1022829634 /nfs/dbraw/zinc/82/96/34/1022829634.db2.gz HARHXIKKQPEMKH-UHFFFAOYSA-N 1 0 331.847 4.008 20 30 EIEDRO Cc1c2cc(F)ccc2oc1C[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000378459404 1022830787 /nfs/dbraw/zinc/83/07/87/1022830787.db2.gz ZIJPHKLXIJIIRL-SPUZQDLCSA-N 1 0 342.414 4.210 20 30 EIEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000472608061 1022838939 /nfs/dbraw/zinc/83/89/39/1022838939.db2.gz ONECSIYBDGEICF-BQFCYCMXSA-N 1 0 327.472 4.080 20 30 EIEDRO C[C@H]1C[C@H](N(C)Cc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000156980156 1022920978 /nfs/dbraw/zinc/92/09/78/1022920978.db2.gz RFTVCYXMHBKKLV-PGRDOPGGSA-N 1 0 333.479 4.043 20 30 EIEDRO N#C[C@@H]1N(CC2CCC(C(F)(F)F)CC2)CCC[C@@]12CCCCO2 ZINC000363925179 1022976187 /nfs/dbraw/zinc/97/61/87/1022976187.db2.gz JCYYCCAOXBLXPL-GQGLESIBSA-N 1 0 344.421 4.282 20 30 EIEDRO N#C[C@H]1N(CC2CCC(C(F)(F)F)CC2)CCC[C@@]12CCCCO2 ZINC000363925175 1022978232 /nfs/dbraw/zinc/97/82/32/1022978232.db2.gz JCYYCCAOXBLXPL-BACDZXNISA-N 1 0 344.421 4.282 20 30 EIEDRO CC1(C)CCC[C@H]1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001203209293 1022981373 /nfs/dbraw/zinc/98/13/73/1022981373.db2.gz ZFPHTDLUQRCGGB-FQEVSTJZSA-N 1 0 339.527 4.329 20 30 EIEDRO CCCN(CCC[NH+](C)C)C(=O)c1ccccc1-c1ccccc1C#N ZINC000189265131 1023046868 /nfs/dbraw/zinc/04/68/68/1023046868.db2.gz SWKPANRPCZTPQH-UHFFFAOYSA-N 1 0 349.478 4.029 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000069064033 1023071663 /nfs/dbraw/zinc/07/16/63/1023071663.db2.gz QJDLNFRSIPIZBG-UHFFFAOYSA-N 1 0 329.447 4.479 20 30 EIEDRO C[C@H](Nc1ccc2c(c1)C1(CC2)CC[NH2+]CC1)c1cccc(C#N)c1 ZINC001167710052 1023087807 /nfs/dbraw/zinc/08/78/07/1023087807.db2.gz KGVSHEIGLUNDRS-INIZCTEOSA-N 1 0 331.463 4.299 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000328776158 1023181164 /nfs/dbraw/zinc/18/11/64/1023181164.db2.gz KWIUJFRBNPBIJE-LLVKDONJSA-N 1 0 336.386 4.353 20 30 EIEDRO C=CCN(Cc1cccs1)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000584712452 1023226589 /nfs/dbraw/zinc/22/65/89/1023226589.db2.gz XTRVTNKIIFHAFZ-LBPRGKRZSA-N 1 0 336.407 4.042 20 30 EIEDRO C[NH+](C)Cc1ccc(-c2noc([C@@H](C#N)CCc3ccccc3)n2)cc1 ZINC000417272549 1023232145 /nfs/dbraw/zinc/23/21/45/1023232145.db2.gz URPCRJQJUVJUGF-LJQANCHMSA-N 1 0 346.434 4.038 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CS1 ZINC000414503116 1023250988 /nfs/dbraw/zinc/25/09/88/1023250988.db2.gz VSWVKYYWHZEVMR-BEFAXECRSA-N 1 0 338.476 4.121 20 30 EIEDRO C#CCC1([NH2+][C@H](C)c2nnc(-c3ccc4ccccc4c3)o2)CCC1 ZINC000933293381 1023272145 /nfs/dbraw/zinc/27/21/45/1023272145.db2.gz KCKZTDQJBCCAJS-OAHLLOKOSA-N 1 0 331.419 4.486 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000417342149 1023277961 /nfs/dbraw/zinc/27/79/61/1023277961.db2.gz CEPSCDCFJDSYDZ-NJEKYYFSSA-N 1 0 332.447 4.252 20 30 EIEDRO COC(=O)c1csc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000417361157 1023285743 /nfs/dbraw/zinc/28/57/43/1023285743.db2.gz IPJLQOQETUFAHV-SJKOYZFVSA-N 1 0 340.448 4.135 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1nc2ccccc2n1C ZINC000417362389 1023286788 /nfs/dbraw/zinc/28/67/88/1023286788.db2.gz JSQDKIMNWWOORX-RDTXWAMCSA-N 1 0 330.435 4.173 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000377053934 1023360133 /nfs/dbraw/zinc/36/01/33/1023360133.db2.gz VUUIYGKENPUIGX-AWEZNQCLSA-N 1 0 342.409 4.259 20 30 EIEDRO CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000510432172 1023361522 /nfs/dbraw/zinc/36/15/22/1023361522.db2.gz XXUQATCOWTUGAT-UHFFFAOYSA-N 1 0 347.462 4.211 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccccc1C(F)(F)F)CC2 ZINC000584499215 1023445073 /nfs/dbraw/zinc/44/50/73/1023445073.db2.gz ALSZNVKEZPQMFJ-SFHVURJKSA-N 1 0 330.353 4.397 20 30 EIEDRO Cc1cccc(OCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000500041175 1023464917 /nfs/dbraw/zinc/46/49/17/1023464917.db2.gz WPOIFLBAINTNFH-UHFFFAOYSA-N 1 0 334.463 4.368 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2CCC(OC(C)C)CC2)cc1OC ZINC000130235285 1023470057 /nfs/dbraw/zinc/47/00/57/1023470057.db2.gz SABYGYBTDGZJTJ-UHFFFAOYSA-N 1 0 333.472 4.086 20 30 EIEDRO CC(C)COc1ccccc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236654517 1023470344 /nfs/dbraw/zinc/47/03/44/1023470344.db2.gz NLQFFDPYYLFBDL-QGZVFWFLSA-N 1 0 338.451 4.302 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CCC1 ZINC000925636906 1023474874 /nfs/dbraw/zinc/47/48/74/1023474874.db2.gz VZQAVOCFEKQSCV-JKSUJKDBSA-N 1 0 349.519 4.084 20 30 EIEDRO N#CCSCCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276416281 1023476106 /nfs/dbraw/zinc/47/61/06/1023476106.db2.gz HSFXBMAGYHGWDH-SFHVURJKSA-N 1 0 340.496 4.251 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(Cl)c1OC ZINC000264361004 1023484506 /nfs/dbraw/zinc/48/45/06/1023484506.db2.gz AYQQEENYGWASRD-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO C=CCc1cc(C[NH2+]CC(C)(C)c2ccccc2F)cc(OC)c1O ZINC000500109512 1023508537 /nfs/dbraw/zinc/50/85/37/1023508537.db2.gz NAPAANITZYYCAB-UHFFFAOYSA-N 1 0 343.442 4.336 20 30 EIEDRO C=CCc1cc(C[NH2+]CCc2ccc(C)cc2C)cc(OC)c1O ZINC000500134784 1023531032 /nfs/dbraw/zinc/53/10/32/1023531032.db2.gz FUAHSVYXQIIRKA-UHFFFAOYSA-N 1 0 325.452 4.078 20 30 EIEDRO C[C@H]1CCc2nc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)sc2C1 ZINC000418140730 1023561914 /nfs/dbraw/zinc/56/19/14/1023561914.db2.gz FPJGWEUGXIJZJW-SUMWQHHRSA-N 1 0 337.492 4.307 20 30 EIEDRO COc1cc(C)c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000418145793 1023563322 /nfs/dbraw/zinc/56/33/22/1023563322.db2.gz OAANRVDGBIEXKG-LJQANCHMSA-N 1 0 336.435 4.051 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)Oc2cccc(C)c2)cc1OC ZINC000462733883 1023611380 /nfs/dbraw/zinc/61/13/80/1023611380.db2.gz GXFKNSHDSRSGLF-KRWDZBQOSA-N 1 0 341.451 4.126 20 30 EIEDRO C=CC[C@@H]([NH2+]Cc1cnc(CC(F)(F)F)s1)c1ccncc1 ZINC000892972218 1023616149 /nfs/dbraw/zinc/61/61/49/1023616149.db2.gz GVBHTTGQRLMRCX-CYBMUJFWSA-N 1 0 327.375 4.050 20 30 EIEDRO N#Cc1ccc(C[N@@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C2CC2)cc1 ZINC000759846410 1023708252 /nfs/dbraw/zinc/70/82/52/1023708252.db2.gz XLZNIJNRHUEBGO-IBGZPJMESA-N 1 0 344.817 4.049 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000728711769 1023761703 /nfs/dbraw/zinc/76/17/03/1023761703.db2.gz ITRXVRWXZKCCAO-IFXJQAMLSA-N 1 0 340.398 4.120 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1cccc(C#N)c1 ZINC000178177968 1023780662 /nfs/dbraw/zinc/78/06/62/1023780662.db2.gz WGBXYXVSHRPQFY-HZPDHXFCSA-N 1 0 333.435 4.097 20 30 EIEDRO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1nnc(-c2ccccc2)o1 ZINC000375642403 1023801417 /nfs/dbraw/zinc/80/14/17/1023801417.db2.gz REJJJEKDXJOHFH-VQIMIIECSA-N 1 0 331.419 4.022 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)c1 ZINC000510475732 1023827319 /nfs/dbraw/zinc/82/73/19/1023827319.db2.gz VVMLOEMUHJCOCK-SIKLNZKXSA-N 1 0 332.447 4.205 20 30 EIEDRO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000047257333 1023877955 /nfs/dbraw/zinc/87/79/55/1023877955.db2.gz MIJTUOBJWONQLB-UHFFFAOYSA-N 1 0 343.430 4.337 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000511799193 1023890810 /nfs/dbraw/zinc/89/08/10/1023890810.db2.gz FSFDEABOGLUBQT-KBRIMQKVSA-N 1 0 335.373 4.375 20 30 EIEDRO C[N@H+](CCNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C1CCCCC1 ZINC000328865325 1023894581 /nfs/dbraw/zinc/89/45/81/1023894581.db2.gz BQDGRDQISLGWIT-MRXNPFEDSA-N 1 0 347.434 4.122 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511805571 1023895374 /nfs/dbraw/zinc/89/53/74/1023895374.db2.gz GQTSWIDDVHCINO-ULQDDVLXSA-N 1 0 327.390 4.258 20 30 EIEDRO Cc1c(C#N)cccc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000510514217 1023977237 /nfs/dbraw/zinc/97/72/37/1023977237.db2.gz LRAJZYNYCULVBL-INIZCTEOSA-N 1 0 347.462 4.351 20 30 EIEDRO N#CCC1(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CC1 ZINC000430744068 1024000373 /nfs/dbraw/zinc/00/03/73/1024000373.db2.gz TZVIMPMLWYCRDK-AWEZNQCLSA-N 1 0 339.664 4.373 20 30 EIEDRO CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)c3ccc(C#N)cc3)c2)CC1 ZINC000125040377 1024069356 /nfs/dbraw/zinc/06/93/56/1024069356.db2.gz DQGYJYNJJWGVTR-SFHVURJKSA-N 1 0 348.494 4.262 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000661380674 1024079047 /nfs/dbraw/zinc/07/90/47/1024079047.db2.gz IJLGHKMRLFTIIE-CQSZACIVSA-N 1 0 340.389 4.322 20 30 EIEDRO C=CC[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000661378755 1024083885 /nfs/dbraw/zinc/08/38/85/1024083885.db2.gz LRYYELAYWVHQNE-KRWDZBQOSA-N 1 0 335.451 4.026 20 30 EIEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)c1ccccc1OCC(=O)N1CCCC1 ZINC000341647622 1024110350 /nfs/dbraw/zinc/11/03/50/1024110350.db2.gz VZRFFFUQZPQJOE-HKUYNNGSSA-N 1 0 344.499 4.083 20 30 EIEDRO N#Cc1ccc(CN2CCC[C@H]2c2ccc(Br)cc2)o1 ZINC000510625083 1024112268 /nfs/dbraw/zinc/11/22/68/1024112268.db2.gz PVAHZEKXQMBWJM-INIZCTEOSA-N 1 0 331.213 4.251 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000651670161 1024131953 /nfs/dbraw/zinc/13/19/53/1024131953.db2.gz XWCZWHZJZYZXTA-YLJYHZDGSA-N 1 0 326.484 4.147 20 30 EIEDRO CCCCOc1cccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236713947 1024184408 /nfs/dbraw/zinc/18/44/08/1024184408.db2.gz SFGKCSHTYFXNKG-KRWDZBQOSA-N 1 0 338.451 4.446 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000651682084 1024192572 /nfs/dbraw/zinc/19/25/72/1024192572.db2.gz LOAMRADFTMXKRR-QFBILLFUSA-N 1 0 338.451 4.044 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H]3C3CCCCC3)o2)c1 ZINC000075641812 1024197657 /nfs/dbraw/zinc/19/76/57/1024197657.db2.gz UJDWDRVUZPLWAY-GOSISDBHSA-N 1 0 336.439 4.153 20 30 EIEDRO N#CC[C@H]1CCC[N@@H+](CCCC(=O)c2ccc(Br)cc2)C1 ZINC000661153038 1024275615 /nfs/dbraw/zinc/27/56/15/1024275615.db2.gz HJEMRWFBXZENNJ-CQSZACIVSA-N 1 0 349.272 4.038 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341762374 1024628815 /nfs/dbraw/zinc/62/88/15/1024628815.db2.gz URVZTDNVYJNFIX-KUHUBIRLSA-N 1 0 334.419 4.058 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000091887963 1024688322 /nfs/dbraw/zinc/68/83/22/1024688322.db2.gz JTVRZAKKXUUDBE-MRXNPFEDSA-N 1 0 338.426 4.440 20 30 EIEDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CC(C)(C)CCC#N ZINC000092013412 1024713962 /nfs/dbraw/zinc/71/39/62/1024713962.db2.gz RWPUORGXVGOGJA-HOTGVXAUSA-N 1 0 337.508 4.084 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]Cc2csc(Cl)c2Cl)cc1 ZINC000432248828 1024758040 /nfs/dbraw/zinc/75/80/40/1024758040.db2.gz BJALFNFPZOLZRE-UHFFFAOYSA-N 1 0 327.236 4.095 20 30 EIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000510978303 1024874256 /nfs/dbraw/zinc/87/42/56/1024874256.db2.gz LHCDDABYEQUUSW-BBATYDOGSA-N 1 0 328.362 4.183 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc([S@@](C)=O)cc1 ZINC000341889361 1024900200 /nfs/dbraw/zinc/90/02/00/1024900200.db2.gz RGDKTNLTCXSNPM-OSZRXVRWSA-N 1 0 338.476 4.024 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000427004847 1024916747 /nfs/dbraw/zinc/91/67/47/1024916747.db2.gz LWIOIOYABFWIQJ-HLIPFELVSA-N 1 0 330.903 4.029 20 30 EIEDRO CC(C)C[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1ccccc1Cl ZINC000342007226 1025034472 /nfs/dbraw/zinc/03/44/72/1025034472.db2.gz ANGPEDVXSCWNJD-INIZCTEOSA-N 1 0 349.906 4.121 20 30 EIEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610830061 1025051694 /nfs/dbraw/zinc/05/16/94/1025051694.db2.gz ZYZQTJZJIBPJLM-JKSUJKDBSA-N 1 0 335.451 4.189 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000610829642 1025052119 /nfs/dbraw/zinc/05/21/19/1025052119.db2.gz CGOHYWQGKUHGFP-KBPBESRZSA-N 1 0 333.435 4.200 20 30 EIEDRO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1cccc(C#N)c1 ZINC000610829829 1025052428 /nfs/dbraw/zinc/05/24/28/1025052428.db2.gz NPLSZQASYSVBED-WWMYMODYSA-N 1 0 325.500 4.252 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549823443 1033255731 /nfs/dbraw/zinc/25/57/31/1033255731.db2.gz SXWVGVMRCRWLIQ-XUJLQICISA-N 1 0 347.300 4.226 20 30 EIEDRO C[N@H+](Cc1csc(C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000893567053 1025061340 /nfs/dbraw/zinc/06/13/40/1025061340.db2.gz JJGDVPSGLBLUMX-WMZOPIPTSA-N 1 0 330.428 4.111 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccnc(C#N)c2)c2ccc(C)cc2)cc1 ZINC000610956279 1025167991 /nfs/dbraw/zinc/16/79/91/1025167991.db2.gz WPRVMJBVPGJQPS-JOCHJYFZSA-N 1 0 343.430 4.150 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](CC)c2ccc(C)cc2)CC1 ZINC000159230696 1025195188 /nfs/dbraw/zinc/19/51/88/1025195188.db2.gz GOPXBFDYLLQUIJ-SFHVURJKSA-N 1 0 328.500 4.035 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000105491852 1025382857 /nfs/dbraw/zinc/38/28/57/1025382857.db2.gz XWOIVGDGGFXLOO-QGZVFWFLSA-N 1 0 327.225 4.098 20 30 EIEDRO C=CCCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000472035816 1025457147 /nfs/dbraw/zinc/45/71/47/1025457147.db2.gz AMRNTJNGZPQWDP-UHFFFAOYSA-N 1 0 346.478 4.439 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C(C)C)C2CCCC2)c1C ZINC000439962479 1025476278 /nfs/dbraw/zinc/47/62/78/1025476278.db2.gz KVNBHSBODUBLDY-UHFFFAOYSA-N 1 0 341.499 4.203 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278915185 1025545663 /nfs/dbraw/zinc/54/56/63/1025545663.db2.gz QWAOIOBDQKFWAF-MRXNPFEDSA-N 1 0 334.467 4.032 20 30 EIEDRO C=CCCn1cc(C[NH2+]CCC(c2ccccc2)c2ccccc2)nn1 ZINC000657285295 1025608184 /nfs/dbraw/zinc/60/81/84/1025608184.db2.gz BKOUCJFNLNVWHH-UHFFFAOYSA-N 1 0 346.478 4.166 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719659 1025802320 /nfs/dbraw/zinc/80/23/20/1025802320.db2.gz ICIYTZZVTHWMDJ-MBOZVWFJSA-N 1 0 345.918 4.491 20 30 EIEDRO CSc1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)cc1F ZINC000539088768 1025804399 /nfs/dbraw/zinc/80/43/99/1025804399.db2.gz ZTFIXAWDPJWEDV-CYBMUJFWSA-N 1 0 330.428 4.149 20 30 EIEDRO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC000512036526 1025814323 /nfs/dbraw/zinc/81/43/23/1025814323.db2.gz JTJNZGBOUNRZFV-UHFFFAOYSA-N 1 0 342.446 4.445 20 30 EIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000563210858 1025843325 /nfs/dbraw/zinc/84/33/25/1025843325.db2.gz SQZVJKVPFWCCFQ-AWEZNQCLSA-N 1 0 339.395 4.104 20 30 EIEDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cscc3C#N)cc2)C1 ZINC000432398354 1025865046 /nfs/dbraw/zinc/86/50/46/1025865046.db2.gz DLWMXEXEAVFZAT-AWEZNQCLSA-N 1 0 339.464 4.104 20 30 EIEDRO C=CCOc1ccc(C[N@H+](CC=C)Cc2cccc(C#N)c2)cc1OC ZINC000512068103 1025874707 /nfs/dbraw/zinc/87/47/07/1025874707.db2.gz PUDUPHMSGNHKJQ-UHFFFAOYSA-N 1 0 348.446 4.320 20 30 EIEDRO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H](O)c1ccc(C)cc1 ZINC001167516331 1025892479 /nfs/dbraw/zinc/89/24/79/1025892479.db2.gz DVJKDYJLALPBIL-IBGZPJMESA-N 1 0 328.843 4.076 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC3(CCCC3)CC2)cc1Cl ZINC000561983755 1025909977 /nfs/dbraw/zinc/90/99/77/1025909977.db2.gz WXWQFPXTMCEUIA-UHFFFAOYSA-N 1 0 345.874 4.196 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000344055352 1025926424 /nfs/dbraw/zinc/92/64/24/1025926424.db2.gz LJZRAXXLFGQHEU-QFIPXVFZSA-N 1 0 333.479 4.264 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000894480328 1026039699 /nfs/dbraw/zinc/03/96/99/1026039699.db2.gz GMLZUHSHILQCKO-ABAIWWIYSA-N 1 0 329.271 4.335 20 30 EIEDRO C=CCCC[NH2+]Cc1csc(N(C(C)=O)c2ccc(C)cc2)n1 ZINC000279207487 1026203358 /nfs/dbraw/zinc/20/33/58/1026203358.db2.gz VSMCAHMYMMJLHL-UHFFFAOYSA-N 1 0 329.469 4.192 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(Cl)s1 ZINC000551547443 1026210449 /nfs/dbraw/zinc/21/04/49/1026210449.db2.gz MLAGTOQBAWXQOJ-CYBMUJFWSA-N 1 0 330.844 4.162 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000894607832 1026245828 /nfs/dbraw/zinc/24/58/28/1026245828.db2.gz YNIFWMUEEANWSO-UHFFFAOYSA-N 1 0 339.277 4.099 20 30 EIEDRO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H](C)N1CCCC(C)(C)C#N ZINC000187105626 1026318908 /nfs/dbraw/zinc/31/89/08/1026318908.db2.gz JRXAIUJCOJFUAH-HDICACEKSA-N 1 0 332.536 4.041 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+]CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000279379082 1026402159 /nfs/dbraw/zinc/40/21/59/1026402159.db2.gz XTFKYOPSJSSCBN-ROUUACIJSA-N 1 0 337.870 4.286 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000112213887 1026405127 /nfs/dbraw/zinc/40/51/27/1026405127.db2.gz RTSYIJRHNXHOOG-UHFFFAOYSA-N 1 0 335.536 4.027 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000121784637 1026421322 /nfs/dbraw/zinc/42/13/22/1026421322.db2.gz YXCGKHFWXFSBNN-VQYZLWMVSA-N 1 0 345.446 4.196 20 30 EIEDRO C#CCCCCCC[N@H+]1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC001167561999 1026423747 /nfs/dbraw/zinc/42/37/47/1026423747.db2.gz DGQPEDJXKVKXNT-ROUUACIJSA-N 1 0 336.520 4.195 20 30 EIEDRO CC[C@H](C)[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000395697719 1026518360 /nfs/dbraw/zinc/51/83/60/1026518360.db2.gz JPZAFJWDJUJDJK-KRWDZBQOSA-N 1 0 335.451 4.188 20 30 EIEDRO C=CCC(C)(C)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000432559013 1026525777 /nfs/dbraw/zinc/52/57/77/1026525777.db2.gz QFSMGPPHUKJZTF-WBVHZDCISA-N 1 0 349.544 4.033 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1F ZINC000478379480 1026549986 /nfs/dbraw/zinc/54/99/86/1026549986.db2.gz AERAWSFARLLIEB-HNNXBMFYSA-N 1 0 348.425 4.257 20 30 EIEDRO C=CCC1([NH2+]Cc2nnc(-c3ccc(OC)cc3)o2)CCCCC1 ZINC000625937269 1026588524 /nfs/dbraw/zinc/58/85/24/1026588524.db2.gz RPDVGRNNHMEVOX-UHFFFAOYSA-N 1 0 327.428 4.114 20 30 EIEDRO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2CC(C)(C)C)c(C#N)c1C ZINC000426990455 1026662041 /nfs/dbraw/zinc/66/20/41/1026662041.db2.gz IOLOMGMPFYXXEK-AWEZNQCLSA-N 1 0 333.501 4.076 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1Cl ZINC000582460424 1026673750 /nfs/dbraw/zinc/67/37/50/1026673750.db2.gz URXUGEGXHSVQGW-UHFFFAOYSA-N 1 0 341.842 4.081 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(-n2cccn2)c1 ZINC000507170200 1026684378 /nfs/dbraw/zinc/68/43/78/1026684378.db2.gz MDUKQCNJTWGIFT-UHFFFAOYSA-N 1 0 330.435 4.155 20 30 EIEDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C#N)cc1 ZINC000507213945 1026704956 /nfs/dbraw/zinc/70/49/56/1026704956.db2.gz QYKLEKNXFQXUSA-UHFFFAOYSA-N 1 0 347.374 4.358 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]CCCCC1(C#N)CCC1)C1CC1 ZINC001167898901 1026713512 /nfs/dbraw/zinc/71/35/12/1026713512.db2.gz SYINLQABORRXOX-LJQANCHMSA-N 1 0 349.519 4.134 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000277655469 1026727153 /nfs/dbraw/zinc/72/71/53/1026727153.db2.gz IORDIUHESASCAA-OALUTQOASA-N 1 0 332.463 4.434 20 30 EIEDRO Cc1nc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cs1 ZINC000048782760 1026728461 /nfs/dbraw/zinc/72/84/61/1026728461.db2.gz ZDFQWWSTPMUQGC-UHFFFAOYSA-N 1 0 349.459 4.192 20 30 EIEDRO N#Cc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc2ccccc12 ZINC000427388117 1026838937 /nfs/dbraw/zinc/83/89/37/1026838937.db2.gz ANRPYGPGCJAKEH-GOSISDBHSA-N 1 0 348.494 4.199 20 30 EIEDRO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507635261 1026859910 /nfs/dbraw/zinc/85/99/10/1026859910.db2.gz IZWFNIYEHRCDQO-IVCWUUCSSA-N 1 0 339.527 4.243 20 30 EIEDRO COC1CCC(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507652974 1026862171 /nfs/dbraw/zinc/86/21/71/1026862171.db2.gz ZDMKDJAMNADQNE-UHFFFAOYSA-N 1 0 326.484 4.185 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000507652480 1026862951 /nfs/dbraw/zinc/86/29/51/1026862951.db2.gz WZKLEKZHPHBPKV-UTZODRGISA-N 1 0 348.494 4.361 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000507652477 1026863027 /nfs/dbraw/zinc/86/30/27/1026863027.db2.gz WZKLEKZHPHBPKV-INAZGPRKSA-N 1 0 348.494 4.361 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)cc1 ZINC000342714783 1026878834 /nfs/dbraw/zinc/87/88/34/1026878834.db2.gz UADKBJBDIWAIRT-UHFFFAOYSA-N 1 0 342.389 4.074 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1cnn(CC2CCC2)c1 ZINC000934562843 1026879812 /nfs/dbraw/zinc/87/98/12/1026879812.db2.gz SPFFKJTZNIYSSY-MRXNPFEDSA-N 1 0 336.483 4.335 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664937010 1026925508 /nfs/dbraw/zinc/92/55/08/1026925508.db2.gz XVIGODWHUMVOKO-CQSZACIVSA-N 1 0 329.419 4.194 20 30 EIEDRO CCOc1ccc(C[N@H+](CCCC2(C#N)CCOCC2)C(C)C)cc1 ZINC000282003670 1027103377 /nfs/dbraw/zinc/10/33/77/1027103377.db2.gz NVHKVBYUDBRJTK-UHFFFAOYSA-N 1 0 344.499 4.396 20 30 EIEDRO C=CCC[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000188191814 1027176779 /nfs/dbraw/zinc/17/67/79/1027176779.db2.gz AHJPQVVATPTQNV-GOSISDBHSA-N 1 0 328.500 4.162 20 30 EIEDRO CCOc1cccc(/C=N\C[C@H](c2ccccc2)[NH+]2CCCC2)c1O ZINC000255544122 1027225582 /nfs/dbraw/zinc/22/55/82/1027225582.db2.gz XDMBYVHNLIZMLZ-MLPWYGTASA-N 1 0 338.451 4.047 20 30 EIEDRO C=CC[N@@H+](CCOc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000520135358 1027231517 /nfs/dbraw/zinc/23/15/17/1027231517.db2.gz IKLCBGRCAKMIAB-UHFFFAOYSA-N 1 0 326.827 4.279 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)/C=C\c2ccccc2C#N)c1 ZINC000255546677 1027241686 /nfs/dbraw/zinc/24/16/86/1027241686.db2.gz ORALYEQKMDVOPW-SEYXRHQNSA-N 1 0 333.435 4.052 20 30 EIEDRO COc1ccccc1-c1nc(CN(C)Cc2ccc(C#N)cc2)cs1 ZINC000046527005 1027253927 /nfs/dbraw/zinc/25/39/27/1027253927.db2.gz AAFLXTMSIUSADX-UHFFFAOYSA-N 1 0 349.459 4.322 20 30 EIEDRO CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000520174369 1027293910 /nfs/dbraw/zinc/29/39/10/1027293910.db2.gz GHCYOHHLTSDTCH-LJQANCHMSA-N 1 0 341.499 4.144 20 30 EIEDRO Cc1ccc(C)c(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000520174192 1027297121 /nfs/dbraw/zinc/29/71/21/1027297121.db2.gz XZMUYMHQANBCGJ-UHFFFAOYSA-N 1 0 349.478 4.272 20 30 EIEDRO CC1CCN([C@H](C[NH2+]Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000520202460 1027309765 /nfs/dbraw/zinc/30/97/65/1027309765.db2.gz IWBXNKNFAMNPJI-JOCHJYFZSA-N 1 0 333.479 4.121 20 30 EIEDRO N#CC1(c2ccc(C[N@H+]3CC[C@]4(CC(F)(F)C4(F)F)C3)cc2)CC1 ZINC000896225204 1027342273 /nfs/dbraw/zinc/34/22/73/1027342273.db2.gz VEYWIWSLMITTPR-INIZCTEOSA-N 1 0 338.348 4.108 20 30 EIEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000441251837 1027386965 /nfs/dbraw/zinc/38/69/65/1027386965.db2.gz DJFKTYNRAWMVKK-FCHUYYIVSA-N 1 0 348.490 4.434 20 30 EIEDRO N#CC1CCC([NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000896300430 1027394300 /nfs/dbraw/zinc/39/43/00/1027394300.db2.gz SCOBMNCJSGCMFP-UHFFFAOYSA-N 1 0 327.653 4.274 20 30 EIEDRO COc1ccc2cc(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)ccc2c1 ZINC000237284900 1027433939 /nfs/dbraw/zinc/43/39/39/1027433939.db2.gz YCNYFNBSJNJSOW-MRXNPFEDSA-N 1 0 346.430 4.429 20 30 EIEDRO N#Cc1c(F)cccc1CN1CCC(Oc2ccccc2Cl)CC1 ZINC000428300730 1027443117 /nfs/dbraw/zinc/44/31/17/1027443117.db2.gz ZXKWEAULYSHEHH-UHFFFAOYSA-N 1 0 344.817 4.394 20 30 EIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3cccc(C#N)n3)cc2)C1 ZINC000609891487 1027494117 /nfs/dbraw/zinc/49/41/17/1027494117.db2.gz RQRWYHFRLRBWAA-IRXDYDNUSA-N 1 0 334.467 4.043 20 30 EIEDRO CCOC[C@@H]1CCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000474815167 1027537115 /nfs/dbraw/zinc/53/71/15/1027537115.db2.gz DSAHWYQRZIUMLJ-DCCYDQLOSA-N 1 0 342.483 4.043 20 30 EIEDRO C=CCCC1(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000475530252 1027567740 /nfs/dbraw/zinc/56/77/40/1027567740.db2.gz NSIYHGJLMXFNHX-UHFFFAOYSA-N 1 0 340.511 4.281 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]2CCCC[C@H]12 ZINC000544039515 1027580222 /nfs/dbraw/zinc/58/02/22/1027580222.db2.gz KTXHGKLHQAQBOO-UIFIKXQLSA-N 1 0 348.494 4.474 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000186597930 1027608528 /nfs/dbraw/zinc/60/85/28/1027608528.db2.gz IDEBOKPCUWHBHH-SFHVURJKSA-N 1 0 334.463 4.343 20 30 EIEDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)c(OC)c1 ZINC000329147750 1027611079 /nfs/dbraw/zinc/61/10/79/1027611079.db2.gz PDYAQLLYHIWLGQ-LSDHHAIUSA-N 1 0 346.471 4.192 20 30 EIEDRO [NH2+]=C(NCc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303716270 1027638276 /nfs/dbraw/zinc/63/82/76/1027638276.db2.gz SOCDMJNNSBQWEI-UHFFFAOYSA-N 1 0 343.736 4.165 20 30 EIEDRO CCOc1cc2c(cc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C)O[C@H](C)C2 ZINC000329252427 1027675383 /nfs/dbraw/zinc/67/53/83/1027675383.db2.gz VLMOPRPGQSWOLY-ZBFHGGJFSA-N 1 0 346.471 4.261 20 30 EIEDRO C[C@@H](CNc1ccc(C#N)cc1C(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000609963942 1027685459 /nfs/dbraw/zinc/68/54/59/1027685459.db2.gz KQPVMWZTFWSRSO-OLZOCXBDSA-N 1 0 325.378 4.109 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCCc2ccccc2F)c1 ZINC000475581331 1027708034 /nfs/dbraw/zinc/70/80/34/1027708034.db2.gz OHUQOGDYFKERSU-UHFFFAOYSA-N 1 0 326.415 4.231 20 30 EIEDRO Cc1ccnc(-c2cccc(NC(=O)[C@H](C)[NH+]3CCCCCC3)c2)n1 ZINC000329331805 1027731826 /nfs/dbraw/zinc/73/18/26/1027731826.db2.gz ZSUQDFVOTDOAPN-INIZCTEOSA-N 1 0 338.455 4.305 20 30 EIEDRO Cc1nc(C2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCCCCC2)no1 ZINC000329359000 1027747233 /nfs/dbraw/zinc/74/72/33/1027747233.db2.gz XHQYXBFIKGOFCR-HNNXBMFYSA-N 1 0 348.491 4.149 20 30 EIEDRO [NH2+]=C(NCCc1c[nH]c2ccccc12)Nc1cccc2c1CCCC2 ZINC000304640459 1027751033 /nfs/dbraw/zinc/75/10/33/1027751033.db2.gz CGQIZFVOHUWQRX-UHFFFAOYSA-N 1 0 332.451 4.016 20 30 EIEDRO CCOCCC1(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)CCCC1 ZINC000305049184 1027767401 /nfs/dbraw/zinc/76/74/01/1027767401.db2.gz BWCZMMGSBRYNGG-UHFFFAOYSA-N 1 0 347.503 4.187 20 30 EIEDRO CSc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328691824 1027795888 /nfs/dbraw/zinc/79/58/88/1027795888.db2.gz IYLWODPHPRKYES-SWLSCSKDSA-N 1 0 347.484 4.016 20 30 EIEDRO [NH2+]=C(NCc1ccccc1N1CCCCC1)Nc1ccc2c(c1)CCC2 ZINC000305799032 1027810681 /nfs/dbraw/zinc/81/06/81/1027810681.db2.gz GXRPCOUDFYTMBD-UHFFFAOYSA-N 1 0 348.494 4.092 20 30 EIEDRO C[C@@H](C#N)Oc1ccccc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000162271625 1027845653 /nfs/dbraw/zinc/84/56/53/1027845653.db2.gz LWQQYHQQLCEYEI-SFHVURJKSA-N 1 0 349.478 4.096 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000444594540 1027881219 /nfs/dbraw/zinc/88/12/19/1027881219.db2.gz UOBBKTMLZKQEFD-UHFFFAOYSA-N 1 0 339.936 4.239 20 30 EIEDRO COc1ccc(OC)c(C[N@H+](CCCCC(C)(C)C#N)C2CC2)c1 ZINC000444584020 1027883259 /nfs/dbraw/zinc/88/32/59/1027883259.db2.gz RFVGELGULAVCDY-UHFFFAOYSA-N 1 0 330.472 4.388 20 30 EIEDRO CCc1ccc(CN2CC[NH+](CCCCC(C)(C)C#N)CC2)s1 ZINC000444636361 1027895636 /nfs/dbraw/zinc/89/56/36/1027895636.db2.gz GJSUVJZBMZQALS-UHFFFAOYSA-N 1 0 333.545 4.148 20 30 EIEDRO Cc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1OC(C)C ZINC000331139657 1027929403 /nfs/dbraw/zinc/92/94/03/1027929403.db2.gz LSNAOCVCUGADNK-UHFFFAOYSA-N 1 0 347.503 4.229 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000444663035 1027931610 /nfs/dbraw/zinc/93/16/10/1027931610.db2.gz KLVSOVJRMPMTQI-UHFFFAOYSA-N 1 0 336.483 4.077 20 30 EIEDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444686009 1027945314 /nfs/dbraw/zinc/94/53/14/1027945314.db2.gz QPNVQOGLEXWLET-YADHBBJMSA-N 1 0 348.490 4.027 20 30 EIEDRO C[C@H](c1cccc(F)c1)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444663581 1027949050 /nfs/dbraw/zinc/94/90/50/1027949050.db2.gz YWFIABAQODHWGI-QGZVFWFLSA-N 1 0 331.479 4.224 20 30 EIEDRO CC1CCC([N@@H+](Cc2ccc(F)cc2C#N)C[C@H]2CCCO2)CC1 ZINC000441440892 1027961097 /nfs/dbraw/zinc/96/10/97/1027961097.db2.gz AHUHOUQUHXIRAY-RGKRWLCDSA-N 1 0 330.447 4.257 20 30 EIEDRO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CCCC[C@H]1C ZINC000444683086 1027966870 /nfs/dbraw/zinc/96/68/70/1027966870.db2.gz WULBGIWDVUWDOQ-WBMJQRKESA-N 1 0 333.501 4.076 20 30 EIEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2c3cc(C)ccc3[nH]c21 ZINC000329671727 1027971623 /nfs/dbraw/zinc/97/16/23/1027971623.db2.gz UFQKMYASMWWMSV-HFTRVMKXSA-N 1 0 325.456 4.198 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(Br)s1 ZINC000444782225 1028044309 /nfs/dbraw/zinc/04/43/09/1028044309.db2.gz JTGHOVSQKOABHR-NSHDSACASA-N 1 0 338.245 4.352 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3Br)c(F)c1 ZINC000178789261 1028058463 /nfs/dbraw/zinc/05/84/63/1028058463.db2.gz SYTIUYISGNFWOV-QGZVFWFLSA-N 1 0 345.215 4.237 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)[C@@H]1OCCc2sccc21)c1ccc(C#N)cc1 ZINC000291930465 1028066832 /nfs/dbraw/zinc/06/68/32/1028066832.db2.gz OVDBXAUXLAYJGE-FMEYXAORSA-N 1 0 326.465 4.363 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(CC#N)cc2)C(C)C)c(F)c1 ZINC000583143628 1028074850 /nfs/dbraw/zinc/07/48/50/1028074850.db2.gz BYGHFOGDYJPRBJ-HXUWFJFHSA-N 1 0 326.415 4.387 20 30 EIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc2ccccc2s1 ZINC000583146810 1028084482 /nfs/dbraw/zinc/08/44/82/1028084482.db2.gz FYYKBXQAPPQCMJ-UHFFFAOYSA-N 1 0 336.460 4.422 20 30 EIEDRO C[C@H](C(=O)Nc1csc(-c2ccccn2)n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000329764324 1028116234 /nfs/dbraw/zinc/11/62/34/1028116234.db2.gz VOWAOTDDXGTUKB-JHJVBQTASA-N 1 0 330.457 4.054 20 30 EIEDRO O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000329843617 1028137399 /nfs/dbraw/zinc/13/73/99/1028137399.db2.gz PMLCNXAOERAZCH-ZWKOTPCHSA-N 1 0 343.471 4.069 20 30 EIEDRO NC(=O)[C@@H]1CCC[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000329878645 1028144733 /nfs/dbraw/zinc/14/47/33/1028144733.db2.gz LDEXGQAGIUCPCC-SJORKVTESA-N 1 0 349.519 4.473 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cc1 ZINC000473985179 1028146908 /nfs/dbraw/zinc/14/69/08/1028146908.db2.gz TVFSUFNOHPXQAB-MRXNPFEDSA-N 1 0 346.261 4.234 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)C(=O)Nc1ccc(F)cc1Cl ZINC000329895112 1028149009 /nfs/dbraw/zinc/14/90/09/1028149009.db2.gz BUWSAXLXRNSHHZ-JPYFCXBMSA-N 1 0 340.826 4.003 20 30 EIEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440614785 1028234784 /nfs/dbraw/zinc/23/47/84/1028234784.db2.gz GNXVMZWTIFACAD-INIZCTEOSA-N 1 0 338.451 4.342 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000346099119 1028256917 /nfs/dbraw/zinc/25/69/17/1028256917.db2.gz MPLPRFFUTMTKQP-SFHVURJKSA-N 1 0 334.891 4.184 20 30 EIEDRO N#Cc1ccc(CNc2[nH+]ccn2Cc2ccccc2Cl)c(F)c1 ZINC000508518021 1028300928 /nfs/dbraw/zinc/30/09/28/1028300928.db2.gz KTFPKCSJIONERJ-UHFFFAOYSA-N 1 0 340.789 4.208 20 30 EIEDRO COc1cc(C[NH2+][C@H](c2ccc(F)cc2F)C(C)C)ccc1C#N ZINC000440651264 1028304243 /nfs/dbraw/zinc/30/42/43/1028304243.db2.gz WHJUWLGABIKAEW-IBGZPJMESA-N 1 0 330.378 4.332 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000191507679 1028324928 /nfs/dbraw/zinc/32/49/28/1028324928.db2.gz NQXTZHBEKRACJW-QGZVFWFLSA-N 1 0 343.515 4.344 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC2CCCCC2)C(C)C)CC1 ZINC000523744303 1028349555 /nfs/dbraw/zinc/34/95/55/1028349555.db2.gz WRGCXRZUGVPZKJ-HXUWFJFHSA-N 1 0 334.548 4.386 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccco1 ZINC000346348706 1028380702 /nfs/dbraw/zinc/38/07/02/1028380702.db2.gz PKDZPXYVSNDTCZ-UHFFFAOYSA-N 1 0 345.830 4.044 20 30 EIEDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000281378348 1028552694 /nfs/dbraw/zinc/55/26/94/1028552694.db2.gz YHTSSLVFNSOAMB-UHFFFAOYSA-N 1 0 335.451 4.110 20 30 EIEDRO C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000281513296 1028671776 /nfs/dbraw/zinc/67/17/76/1028671776.db2.gz XMUQCJYBAPFEPO-YZGWKJHDSA-N 1 0 343.515 4.036 20 30 EIEDRO CCc1ccc([C@H](CC)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000161698018 1028673037 /nfs/dbraw/zinc/67/30/37/1028673037.db2.gz GVHWRAUATNNOQH-NRFANRHFSA-N 1 0 348.494 4.225 20 30 EIEDRO CC(C)[C@@H](C[NH+]1CCC(C#N)(c2ccccn2)CC1)c1ccccc1 ZINC000548792890 1028683903 /nfs/dbraw/zinc/68/39/03/1028683903.db2.gz ZMZOKRDMPGWLCC-HXUWFJFHSA-N 1 0 333.479 4.379 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2C)c1C ZINC000444035870 1028751537 /nfs/dbraw/zinc/75/15/37/1028751537.db2.gz BJYLSFQWVFUKBZ-HKUYNNGSSA-N 1 0 341.499 4.061 20 30 EIEDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000444056931 1028772912 /nfs/dbraw/zinc/77/29/12/1028772912.db2.gz KLDYLVYUIQRSMW-QGZVFWFLSA-N 1 0 335.451 4.197 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000583503379 1028819662 /nfs/dbraw/zinc/81/96/62/1028819662.db2.gz ZNJWIKMMJJRWFU-HXUWFJFHSA-N 1 0 335.407 4.488 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000346956235 1028829446 /nfs/dbraw/zinc/82/94/46/1028829446.db2.gz DXQJMMLZCCNRCO-SFHVURJKSA-N 1 0 337.423 4.097 20 30 EIEDRO C=CCC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccccc1 ZINC000458569035 1028833450 /nfs/dbraw/zinc/83/34/50/1028833450.db2.gz JGBJSRHAYWNBFC-GOSISDBHSA-N 1 0 331.504 4.114 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)ccc1C#N ZINC000281786215 1028871405 /nfs/dbraw/zinc/87/14/05/1028871405.db2.gz UDQLYGPMZKWAKK-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO CCCCN(CCC#N)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168050524 1028895615 /nfs/dbraw/zinc/89/56/15/1028895615.db2.gz BNSJOEUOFZFGNQ-OALUTQOASA-N 1 0 327.516 4.444 20 30 EIEDRO CN(CC1(C#N)CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000343312867 1028903165 /nfs/dbraw/zinc/90/31/65/1028903165.db2.gz DQKKWOHXDREDLG-CYBMUJFWSA-N 1 0 337.286 4.222 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccc(C#N)cc1 ZINC000278336594 1028907157 /nfs/dbraw/zinc/90/71/57/1028907157.db2.gz WXIHKAMKKNLXDY-YWZLYKJASA-N 1 0 349.434 4.317 20 30 EIEDRO COc1ccc([C@@H]([NH2+]CCCC2(C#N)CCOCC2)C(C)C)cc1 ZINC000281930342 1028974509 /nfs/dbraw/zinc/97/45/09/1028974509.db2.gz IALDCEOCAABPFA-IBGZPJMESA-N 1 0 330.472 4.082 20 30 EIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC1CCCCC1 ZINC000052485651 1028985506 /nfs/dbraw/zinc/98/55/06/1028985506.db2.gz ORDNWHPKZDULLR-UHFFFAOYSA-N 1 0 348.560 4.165 20 30 EIEDRO Cc1cc(CN2CCc3ccc(C#N)cc3C2)cc(C(F)(F)F)c1 ZINC001143450829 1029087086 /nfs/dbraw/zinc/08/70/86/1029087086.db2.gz KXSQQSBJWYWBAL-UHFFFAOYSA-N 1 0 330.353 4.444 20 30 EIEDRO CC(C)(C)CN(CCC#N)Cc1ccc(F)c(Br)c1 ZINC000524811329 1029235886 /nfs/dbraw/zinc/23/58/86/1029235886.db2.gz HLHCDIFSPAMELY-UHFFFAOYSA-N 1 0 327.241 4.350 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C3CC3)C2)cc1 ZINC000157935104 1029279660 /nfs/dbraw/zinc/27/96/60/1029279660.db2.gz CVXQYILAJZKEFP-YJLNNSPDSA-N 1 0 335.875 4.426 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](CCOC3CCCCCC3)CC2)c1 ZINC000524906931 1029323729 /nfs/dbraw/zinc/32/37/29/1029323729.db2.gz ARRBBTGJXLLVEC-UHFFFAOYSA-N 1 0 342.483 4.141 20 30 EIEDRO Cc1ccnc(NCc2ccccc2C[N@H+](C)Cc2ccco2)c1C#N ZINC000343515575 1029412721 /nfs/dbraw/zinc/41/27/21/1029412721.db2.gz QIIIIAYNRROLTN-UHFFFAOYSA-N 1 0 346.434 4.099 20 30 EIEDRO Cc1cc(Cl)ccc1CN1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000583961899 1029423742 /nfs/dbraw/zinc/42/37/42/1029423742.db2.gz WHRRAUWFZSRDMS-UHFFFAOYSA-N 1 0 333.907 4.096 20 30 EIEDRO Cc1cc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)ccc1C#N ZINC000475644043 1029438203 /nfs/dbraw/zinc/43/82/03/1029438203.db2.gz XZQFZCYDAPOQIE-UHFFFAOYSA-N 1 0 348.368 4.140 20 30 EIEDRO C[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000428447049 1029456305 /nfs/dbraw/zinc/45/63/05/1029456305.db2.gz LFSNABQRZBPGOQ-PXNSSMCTSA-N 1 0 342.389 4.189 20 30 EIEDRO N#Cc1c(C[N@@H+](CCc2ccc(F)cc2)C2CC2)cn2ccccc12 ZINC000609744373 1029462813 /nfs/dbraw/zinc/46/28/13/1029462813.db2.gz FWIRUGLVCQTDPS-UHFFFAOYSA-N 1 0 333.410 4.157 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000343553031 1029489659 /nfs/dbraw/zinc/48/96/59/1029489659.db2.gz PEDBIUAYHDVKPC-SFHVURJKSA-N 1 0 326.827 4.258 20 30 EIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)cc1C)CCC2 ZINC000186306693 1029512675 /nfs/dbraw/zinc/51/26/75/1029512675.db2.gz YXCAFLATBJVJSO-QGZVFWFLSA-N 1 0 325.481 4.395 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)c1 ZINC000343629226 1029614279 /nfs/dbraw/zinc/61/42/79/1029614279.db2.gz XUOWPVGELJFZLU-GOSISDBHSA-N 1 0 326.827 4.258 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000525410893 1029624046 /nfs/dbraw/zinc/62/40/46/1029624046.db2.gz OUXQZBFDCYLRKV-IBGZPJMESA-N 1 0 336.435 4.091 20 30 EIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000329681219 1029635761 /nfs/dbraw/zinc/63/57/61/1029635761.db2.gz YEHAJTDTYQUHFK-TZMCWYRMSA-N 1 0 343.496 4.207 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@H](c3cccc(F)c3)C3CCCC3)n2c1 ZINC000584128786 1029639064 /nfs/dbraw/zinc/63/90/64/1029639064.db2.gz XLBYQDPFSVDSBA-NRFANRHFSA-N 1 0 348.425 4.366 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000049596039 1029654655 /nfs/dbraw/zinc/65/46/55/1029654655.db2.gz VQSMWFCPADSZLK-CYBMUJFWSA-N 1 0 345.240 4.050 20 30 EIEDRO N#Cc1cccc(OCCC[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000121709980 1029659888 /nfs/dbraw/zinc/65/98/88/1029659888.db2.gz MUSLPPXZRXYVBU-QFIPXVFZSA-N 1 0 343.430 4.101 20 30 EIEDRO C=CCC[C@H](CC)[NH2+]C1CCN(C(=O)c2ccc(OCC)cc2)CC1 ZINC000159157497 1029666716 /nfs/dbraw/zinc/66/67/16/1029666716.db2.gz LRKVZJONOYXGIK-SFHVURJKSA-N 1 0 344.499 4.024 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000657836662 1029682734 /nfs/dbraw/zinc/68/27/34/1029682734.db2.gz VCLQINALRCEIMA-JXFKEZNVSA-N 1 0 344.474 4.155 20 30 EIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000278685942 1029689022 /nfs/dbraw/zinc/68/90/22/1029689022.db2.gz RZMXMHYLXRBNJO-GHTZIAJQSA-N 1 0 338.495 4.472 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301403939 1029726532 /nfs/dbraw/zinc/72/65/32/1029726532.db2.gz SIQZETPOYLAXNC-UHFFFAOYSA-N 1 0 340.858 4.212 20 30 EIEDRO C=C(C[NH2+]Cc1cc(OC)c(OC)cc1SC)c1ccccc1 ZINC000343754261 1029750612 /nfs/dbraw/zinc/75/06/12/1029750612.db2.gz CHEPFVFIZTYCST-UHFFFAOYSA-N 1 0 329.465 4.229 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000657841733 1029750809 /nfs/dbraw/zinc/75/08/09/1029750809.db2.gz JGMYWFRQCKZZCP-PMACEKPBSA-N 1 0 326.484 4.034 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(C#N)cc1 ZINC000278742450 1029781532 /nfs/dbraw/zinc/78/15/32/1029781532.db2.gz NLBNFZMIONRBRM-MSOLQXFVSA-N 1 0 330.497 4.044 20 30 EIEDRO C=C(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1 ZINC000343776723 1029814405 /nfs/dbraw/zinc/81/44/05/1029814405.db2.gz JJWIGFUHXWDVEZ-UHFFFAOYSA-N 1 0 342.446 4.267 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cnns1)c1ccc(C(F)(F)F)cc1 ZINC000450687755 1029898559 /nfs/dbraw/zinc/89/85/59/1029898559.db2.gz VRTIETNUOQVDPZ-CQSZACIVSA-N 1 0 327.375 4.354 20 30 EIEDRO COCC[C@H]1CCCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000467267444 1030053242 /nfs/dbraw/zinc/05/32/42/1030053242.db2.gz GDRYIWDQBJOGCT-QGZVFWFLSA-N 1 0 339.401 4.196 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000525833469 1030053359 /nfs/dbraw/zinc/05/33/59/1030053359.db2.gz BEBCORQQLGBTSH-HAMDTZRPSA-N 1 0 347.462 4.037 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)COc1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000447531064 1030136500 /nfs/dbraw/zinc/13/65/00/1030136500.db2.gz OIHGNLFIEBYJQO-UGSOOPFHSA-N 1 0 330.378 4.345 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447562815 1030172353 /nfs/dbraw/zinc/17/23/53/1030172353.db2.gz NHLJFSXSZINJLM-UXHICEINSA-N 1 0 337.467 4.338 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000447563753 1030175142 /nfs/dbraw/zinc/17/51/42/1030175142.db2.gz SDYZOGDVNAHXHP-HSZRJFAPSA-N 1 0 347.506 4.306 20 30 EIEDRO CC[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000447583745 1030182417 /nfs/dbraw/zinc/18/24/17/1030182417.db2.gz COZWPBHEPZWXDV-LJQANCHMSA-N 1 0 328.843 4.469 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCO[C@@H]2CCCC[C@@H]2C)ccc1OC ZINC000060948668 1030184690 /nfs/dbraw/zinc/18/46/90/1030184690.db2.gz AMQUQOUSKUWBPN-PKOBYXMFSA-N 1 0 347.499 4.335 20 30 EIEDRO N#Cc1cccc(OCC[NH+]2CCC(=Cc3ccccc3F)CC2)c1 ZINC001168163250 1030190039 /nfs/dbraw/zinc/19/00/39/1030190039.db2.gz IQIMCSCEEWEOLR-UHFFFAOYSA-N 1 0 336.410 4.256 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000447595894 1030200930 /nfs/dbraw/zinc/20/09/30/1030200930.db2.gz AYMZFALKDXOHLL-VOQZNFBZSA-N 1 0 333.479 4.119 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186448012 1030274002 /nfs/dbraw/zinc/27/40/02/1030274002.db2.gz AODHHFFSVHKSKL-QFIPXVFZSA-N 1 0 348.446 4.001 20 30 EIEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000451178823 1030285148 /nfs/dbraw/zinc/28/51/48/1030285148.db2.gz BCTMAIQTRXFACZ-UWVAXJGDSA-N 1 0 347.462 4.153 20 30 EIEDRO C=C(C)CN1CCC([NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000685423111 1030303013 /nfs/dbraw/zinc/30/30/13/1030303013.db2.gz ZKWODQFRCHIAEE-OAHLLOKOSA-N 1 0 340.433 4.439 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2cnn(C=C)c2)C(C)(C)C)cc1 ZINC000447747214 1030317505 /nfs/dbraw/zinc/31/75/05/1030317505.db2.gz SSWUTFJXZZLUPZ-UHFFFAOYSA-N 1 0 325.456 4.349 20 30 EIEDRO CC[N@H+](Cc1cnc2ccc(Cl)cn12)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606182 1030318858 /nfs/dbraw/zinc/31/88/58/1030318858.db2.gz UXFNGALUGSSTOI-AWEZNQCLSA-N 1 0 338.842 4.442 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)ccn1 ZINC000611939958 1030423689 /nfs/dbraw/zinc/42/36/89/1030423689.db2.gz XKBPIZPUNKLHHX-FQEVSTJZSA-N 1 0 348.837 4.075 20 30 EIEDRO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000188882400 1030430647 /nfs/dbraw/zinc/43/06/47/1030430647.db2.gz QYVAGTSSDMFNLI-HXUWFJFHSA-N 1 0 336.435 4.291 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000530500152 1030482905 /nfs/dbraw/zinc/48/29/05/1030482905.db2.gz GYUHSCQCTHIXMU-KRWDZBQOSA-N 1 0 343.515 4.390 20 30 EIEDRO COc1cccc([C@@H](C)[NH+]2CCN([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000527191111 1030545209 /nfs/dbraw/zinc/54/52/09/1030545209.db2.gz MBDMMIDEOLFGMI-ZWKOTPCHSA-N 1 0 349.478 4.007 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000657918560 1030584808 /nfs/dbraw/zinc/58/48/08/1030584808.db2.gz FFZJJTOFCQVJLM-NVXWUHKLSA-N 1 0 327.497 4.472 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N\C1CC[NH+](Cc2ccccn2)CC1 ZINC000255616177 1030603707 /nfs/dbraw/zinc/60/37/07/1030603707.db2.gz ZCPOIHIYLURFBU-IWIPYMOSSA-N 1 0 345.446 4.024 20 30 EIEDRO N#Cc1csc(C[NH2+]CCOc2cccc(Cl)c2Cl)c1 ZINC000530640661 1030616453 /nfs/dbraw/zinc/61/64/53/1030616453.db2.gz OFHFZVILKSATFM-UHFFFAOYSA-N 1 0 327.236 4.095 20 30 EIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(F)c1 ZINC000527350164 1030640028 /nfs/dbraw/zinc/64/00/28/1030640028.db2.gz FKIRPMRKQLZJMF-YCMKEVRSSA-N 1 0 339.414 4.133 20 30 EIEDRO Clc1ccccc1C#CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451940194 1030790522 /nfs/dbraw/zinc/79/05/22/1030790522.db2.gz KZZZPKRMEAZBEA-UHFFFAOYSA-N 1 0 339.866 4.073 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451944450 1030804125 /nfs/dbraw/zinc/80/41/25/1030804125.db2.gz ZTICLRHCPDEGCX-UHFFFAOYSA-N 1 0 348.490 4.369 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452004159 1030818690 /nfs/dbraw/zinc/81/86/90/1030818690.db2.gz HHVXECMDOKMFGX-LSDHHAIUSA-N 1 0 345.512 4.282 20 30 EIEDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191264910 1030842657 /nfs/dbraw/zinc/84/26/57/1030842657.db2.gz MEGGOUMAAVEFNS-LJQANCHMSA-N 1 0 325.456 4.172 20 30 EIEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191264928 1030842754 /nfs/dbraw/zinc/84/27/54/1030842754.db2.gz MEGGOUMAAVEFNS-IBGZPJMESA-N 1 0 325.456 4.172 20 30 EIEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000612065129 1030843323 /nfs/dbraw/zinc/84/33/23/1030843323.db2.gz HKDISAWOLXLFLT-FCHUYYIVSA-N 1 0 334.463 4.352 20 30 EIEDRO C/C(=C\c1ccccc1)C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000527811804 1030856539 /nfs/dbraw/zinc/85/65/39/1030856539.db2.gz NUBMMDLZWLQCJA-OBGWFSINSA-N 1 0 332.447 4.257 20 30 EIEDRO C=C(C)COc1cc(CN[C@@H](C)c2ncccc2F)ccc1OC ZINC000527825845 1030868199 /nfs/dbraw/zinc/86/81/99/1030868199.db2.gz DMHJEZLADPAGJD-AWEZNQCLSA-N 1 0 330.403 4.035 20 30 EIEDRO CC[NH+](CC)Cc1cc(OC)ccc1NCCc1ccc(C#N)cc1 ZINC001167682769 1030881922 /nfs/dbraw/zinc/88/19/22/1030881922.db2.gz RBFYYFOPFIVCLT-UHFFFAOYSA-N 1 0 337.467 4.063 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)C1 ZINC000527939407 1030953114 /nfs/dbraw/zinc/95/31/14/1030953114.db2.gz NUTPODDLUQCBJF-SJLPKXTDSA-N 1 0 342.487 4.064 20 30 EIEDRO CCC(C#N)(CC)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000527972237 1030983219 /nfs/dbraw/zinc/98/32/19/1030983219.db2.gz JUVVJOKLRLHCEQ-KRWDZBQOSA-N 1 0 341.499 4.007 20 30 EIEDRO Cc1cc(Br)cc(C)c1C[NH2+]Cc1cc(C#N)cs1 ZINC000531356089 1031110864 /nfs/dbraw/zinc/11/08/64/1031110864.db2.gz HRMCHFRCMDAUMZ-UHFFFAOYSA-N 1 0 335.270 4.289 20 30 EIEDRO Cc1sc(CC[NH2+]Cc2cccc(C#N)c2)nc1-c1ccccc1 ZINC000152423127 1031124846 /nfs/dbraw/zinc/12/48/46/1031124846.db2.gz YYIZYHYCWZHTLU-UHFFFAOYSA-N 1 0 333.460 4.323 20 30 EIEDRO CC(C)C[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000170984234 1031152301 /nfs/dbraw/zinc/15/23/01/1031152301.db2.gz TWBRKKAOPVSYDO-INIZCTEOSA-N 1 0 347.528 4.386 20 30 EIEDRO Cc1cccc(C2([NH2+]CCC(=O)Nc3cccc(C#N)c3)CCCC2)c1 ZINC001168104805 1031167807 /nfs/dbraw/zinc/16/78/07/1031167807.db2.gz FEFWYZVWTFSEOS-UHFFFAOYSA-N 1 0 347.462 4.254 20 30 EIEDRO CC(C)C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000364334084 1031264165 /nfs/dbraw/zinc/26/41/65/1031264165.db2.gz DNLGMKMMBKAOBE-LEWJYISDSA-N 1 0 349.478 4.022 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000369287746 1031326255 /nfs/dbraw/zinc/32/62/55/1031326255.db2.gz KHKJNZVZQXTHFH-UHFFFAOYSA-N 1 0 346.434 4.049 20 30 EIEDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000237554927 1031377053 /nfs/dbraw/zinc/37/70/53/1031377053.db2.gz LNRMBBZQHNUHPU-HKUYNNGSSA-N 1 0 336.483 4.380 20 30 EIEDRO C[C@@H]1C[N@@H+](Cc2cccc(NC3CCC(C)(C#N)CC3)c2)C[C@H](C)O1 ZINC000449056551 1031412476 /nfs/dbraw/zinc/41/24/76/1031412476.db2.gz QIFIXJVIEQQDNH-OSHAMATESA-N 1 0 341.499 4.180 20 30 EIEDRO CC(C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)N1CCc2ccccc2C1 ZINC000449070618 1031423203 /nfs/dbraw/zinc/42/32/03/1031423203.db2.gz KUSSOVQMRYGOMY-ATKRNPRHSA-N 1 0 339.527 4.131 20 30 EIEDRO C=CCC1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCC1 ZINC000449072891 1031425442 /nfs/dbraw/zinc/42/54/42/1031425442.db2.gz QOKPWUCSBZEPFX-MRXNPFEDSA-N 1 0 332.513 4.138 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000610132694 1031425720 /nfs/dbraw/zinc/42/57/20/1031425720.db2.gz ZQTYAUOJEABLCQ-KRWDZBQOSA-N 1 0 338.451 4.256 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000449076059 1031429179 /nfs/dbraw/zinc/42/91/79/1031429179.db2.gz GNQWKWCIVVPMFA-INIZCTEOSA-N 1 0 332.463 4.155 20 30 EIEDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449109141 1031446421 /nfs/dbraw/zinc/44/64/21/1031446421.db2.gz VGSCGRGFFBLETE-UHFFFAOYSA-N 1 0 333.863 4.039 20 30 EIEDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]C2CCC(C)(C#N)CC2)ccn1 ZINC000449145108 1031477750 /nfs/dbraw/zinc/47/77/50/1031477750.db2.gz WBWYYZFKOYETLD-PPDQVPDSSA-N 1 0 329.488 4.457 20 30 EIEDRO COc1cccc(CC2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000612400878 1031482269 /nfs/dbraw/zinc/48/22/69/1031482269.db2.gz CVSWQLMKGXNYHG-UHFFFAOYSA-N 1 0 326.465 4.083 20 30 EIEDRO CC1=C(c2ccco2)CN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000548927110 1031483721 /nfs/dbraw/zinc/48/37/21/1031483721.db2.gz FRPKQMPNZBJAOU-UHFFFAOYSA-N 1 0 344.361 4.432 20 30 EIEDRO CN1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)[C@@H]1c1cccs1 ZINC000449161092 1031501368 /nfs/dbraw/zinc/50/13/68/1031501368.db2.gz NSKOCFKNOVMGHE-MEWCUZTCSA-N 1 0 331.529 4.193 20 30 EIEDRO N#Cc1cccc(C[NH2+]CC2(c3ccccc3Br)CC2)c1 ZINC000236571085 1031514959 /nfs/dbraw/zinc/51/49/59/1031514959.db2.gz YHVKACZCEHYIOO-UHFFFAOYSA-N 1 0 341.252 4.142 20 30 EIEDRO C(=[NH+]OCc1ccc2ccccc2c1)c1ccc(N2CCOCC2)cc1 ZINC000255867933 1031564735 /nfs/dbraw/zinc/56/47/35/1031564735.db2.gz FFTGZSIGEGKUJI-UHFFFAOYSA-N 1 0 346.430 4.227 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000375942981 1031565070 /nfs/dbraw/zinc/56/50/70/1031565070.db2.gz SCYCWGWJOUFLLS-IBGZPJMESA-N 1 0 339.483 4.154 20 30 EIEDRO C[C@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCCN1Cc1ccccc1 ZINC000449260005 1031598809 /nfs/dbraw/zinc/59/88/09/1031598809.db2.gz ULACJBSIHITZHG-XVAXZDLZSA-N 1 0 325.500 4.103 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449298131 1031605648 /nfs/dbraw/zinc/60/56/48/1031605648.db2.gz FZXIPUYQQQMMIC-SUMWQHHRSA-N 1 0 332.444 4.020 20 30 EIEDRO Cn1cc(C[N@H+](C)CCCc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000179933465 1031653010 /nfs/dbraw/zinc/65/30/10/1031653010.db2.gz HUGPPZPMOUSMOE-UHFFFAOYSA-N 1 0 344.462 4.023 20 30 EIEDRO C=CCC(CC=C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000531823002 1031661876 /nfs/dbraw/zinc/66/18/76/1031661876.db2.gz YPELXMXIXHXIGU-LJQANCHMSA-N 1 0 346.902 4.362 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)c(C(F)(F)F)c1 ZINC000449373823 1031668817 /nfs/dbraw/zinc/66/88/17/1031668817.db2.gz CYEQXVLOGZNINU-CYBMUJFWSA-N 1 0 332.316 4.492 20 30 EIEDRO Cn1ccnc1[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Cl)cc1 ZINC000453212555 1031727504 /nfs/dbraw/zinc/72/75/04/1031727504.db2.gz LUCHXCYUJLTUOW-JTTJXQCZSA-N 1 0 342.874 4.082 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)ccc1C#N ZINC000449433162 1031729446 /nfs/dbraw/zinc/72/94/46/1031729446.db2.gz LBGFTAUWIVLCOA-ZFWWWQNUSA-N 1 0 326.362 4.168 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447477 1031742326 /nfs/dbraw/zinc/74/23/26/1031742326.db2.gz YYVYEPORLSHFTK-YCPHGPKFSA-N 1 0 333.863 4.038 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000449465038 1031785925 /nfs/dbraw/zinc/78/59/25/1031785925.db2.gz ATMZKQOYJFCGNM-HXUWFJFHSA-N 1 0 327.516 4.327 20 30 EIEDRO CO[C@](C)(C[NH2+]Cc1cccc(OCCCC#N)c1)c1ccccc1 ZINC000449484566 1031791436 /nfs/dbraw/zinc/79/14/36/1031791436.db2.gz MXUUKAJSEFYDAL-OAQYLSRUSA-N 1 0 338.451 4.021 20 30 EIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000129710973 1031812102 /nfs/dbraw/zinc/81/21/02/1031812102.db2.gz GXXFBBLWBKJZKH-BJTVZRGDSA-N 1 0 332.447 4.120 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000508664955 1031812431 /nfs/dbraw/zinc/81/24/31/1031812431.db2.gz KQWMJAYVDQMUEE-VQIMIIECSA-N 1 0 341.499 4.061 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000449549054 1031839337 /nfs/dbraw/zinc/83/93/37/1031839337.db2.gz UEIOZGNTSKRDKT-CVEARBPZSA-N 1 0 334.872 4.287 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000453359927 1031855400 /nfs/dbraw/zinc/85/54/00/1031855400.db2.gz PNIGSQABNJHIDI-MAZHCROVSA-N 1 0 329.362 4.012 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C2CC2)cn1 ZINC000528851763 1031891697 /nfs/dbraw/zinc/89/16/97/1031891697.db2.gz YBMZGRDGZCXFJP-HXUWFJFHSA-N 1 0 335.451 4.132 20 30 EIEDRO C=CCCC1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000475910786 1031898048 /nfs/dbraw/zinc/89/80/48/1031898048.db2.gz KRRRQWUUHVBYKX-UHFFFAOYSA-N 1 0 340.511 4.425 20 30 EIEDRO CN1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccccc21 ZINC000449655391 1031909175 /nfs/dbraw/zinc/90/91/75/1031909175.db2.gz YXNODVFNJJMXRK-OAQYLSRUSA-N 1 0 349.478 4.430 20 30 EIEDRO Cc1cc(C[NH2+][C@](C)(CO)c2cc(Cl)cc(Cl)c2)ccc1C#N ZINC000449673369 1031920538 /nfs/dbraw/zinc/92/05/38/1031920538.db2.gz ZJWHGKWJEUZDNG-GOSISDBHSA-N 1 0 349.261 4.171 20 30 EIEDRO CCOc1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc(Cl)c1OC ZINC000449735177 1031967441 /nfs/dbraw/zinc/96/74/41/1031967441.db2.gz QBNZRBIVARDVGP-UHFFFAOYSA-N 1 0 348.805 4.048 20 30 EIEDRO CC(C)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1(O)CCCC1 ZINC000449737758 1031971896 /nfs/dbraw/zinc/97/18/96/1031971896.db2.gz UEXFRBOTYBYJLJ-UHFFFAOYSA-N 1 0 340.511 4.311 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000532013950 1031975369 /nfs/dbraw/zinc/97/53/69/1031975369.db2.gz RKZLBLBCKVJUJC-QFIPXVFZSA-N 1 0 334.463 4.235 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000449790087 1032017192 /nfs/dbraw/zinc/01/71/92/1032017192.db2.gz JOWNDIDSHWXBDV-ZFWWWQNUSA-N 1 0 331.872 4.484 20 30 EIEDRO COc1ccc(C[NH2+]CC2(C3CCC3)CCC2)cc1OCCCC#N ZINC000453585014 1032029201 /nfs/dbraw/zinc/02/92/01/1032029201.db2.gz RVOIQWKCDUMAOA-UHFFFAOYSA-N 1 0 342.483 4.438 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)s1 ZINC000453611446 1032046254 /nfs/dbraw/zinc/04/62/54/1032046254.db2.gz INLZGHRZUMTLDN-SFHVURJKSA-N 1 0 326.465 4.003 20 30 EIEDRO COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000614100277 1033362435 /nfs/dbraw/zinc/36/24/35/1033362435.db2.gz IARGKVTUDMTSTO-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO Cc1ccccc1-c1nn(-c2ccccc2)cc1CN(C)C[C@@H](C)C#N ZINC000509767728 1033403026 /nfs/dbraw/zinc/40/30/26/1033403026.db2.gz WCTSFDJXOZOBQP-KRWDZBQOSA-N 1 0 344.462 4.439 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cccs1 ZINC000432952388 1033486516 /nfs/dbraw/zinc/48/65/16/1033486516.db2.gz WWMKOZBBNFLREZ-UHFFFAOYSA-N 1 0 336.407 4.043 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000512610951 1033492843 /nfs/dbraw/zinc/49/28/43/1033492843.db2.gz GOBXDQKHZANKHO-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1F ZINC000512610776 1033493843 /nfs/dbraw/zinc/49/38/43/1033493843.db2.gz DURCOWNBIMWLLW-HNNXBMFYSA-N 1 0 329.463 4.145 20 30 EIEDRO COc1ccc(CC2CC[NH+](Cc3cc(C#N)cs3)CC2)cc1 ZINC000512614700 1033500395 /nfs/dbraw/zinc/50/03/95/1033500395.db2.gz RWDSGLJODBGEPM-UHFFFAOYSA-N 1 0 326.465 4.083 20 30 EIEDRO C[C@@H](COc1ccc(F)cc1F)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512616846 1033519424 /nfs/dbraw/zinc/51/94/24/1033519424.db2.gz CZMITGYABRHJPH-RYUDHWBXSA-N 1 0 334.341 4.094 20 30 EIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CC3CCCCCC3)CC2)c1 ZINC000512617012 1033520729 /nfs/dbraw/zinc/52/07/29/1033520729.db2.gz KDFZKPRQBDKBML-UHFFFAOYSA-N 1 0 339.483 4.179 20 30 EIEDRO C[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000614168845 1033556970 /nfs/dbraw/zinc/55/69/70/1033556970.db2.gz XLAPPNNNVDASPX-UWJYYQICSA-N 1 0 334.463 4.450 20 30 EIEDRO CC(C)(C#N)c1ccc(CN[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000614179138 1033589380 /nfs/dbraw/zinc/58/93/80/1033589380.db2.gz FQCXVXMOYKOWMH-JOCHJYFZSA-N 1 0 347.506 4.414 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1F ZINC000512642652 1033598417 /nfs/dbraw/zinc/59/84/17/1033598417.db2.gz RHHPJUJRBAXNGX-DJJJIMSYSA-N 1 0 345.849 4.304 20 30 EIEDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)Nc1ccccc1 ZINC000512655282 1033628524 /nfs/dbraw/zinc/62/85/24/1033628524.db2.gz SSOMUWQJYUYFHR-MGPUTAFESA-N 1 0 325.431 4.485 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000614182260 1033629960 /nfs/dbraw/zinc/62/99/60/1033629960.db2.gz JTQBKTSRPWXRAP-LJQANCHMSA-N 1 0 334.463 4.389 20 30 EIEDRO N#CCCC[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000433011545 1033636151 /nfs/dbraw/zinc/63/61/51/1033636151.db2.gz GLFJOPCQBQPOIZ-FQEVSTJZSA-N 1 0 339.483 4.018 20 30 EIEDRO COCC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(C)o1 ZINC000614185095 1033636606 /nfs/dbraw/zinc/63/66/06/1033636606.db2.gz NEEXWOIGASWTNX-GOSISDBHSA-N 1 0 326.440 4.257 20 30 EIEDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614186006 1033642219 /nfs/dbraw/zinc/64/22/19/1033642219.db2.gz LLWRYGDVSNWRIU-UHFFFAOYSA-N 1 0 346.478 4.399 20 30 EIEDRO CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)Oc1cccc(F)c1 ZINC000512666763 1033664700 /nfs/dbraw/zinc/66/47/00/1033664700.db2.gz MBZCKAJBLFIYFC-CZUORRHYSA-N 1 0 330.378 4.345 20 30 EIEDRO Cc1nc2ccccc2nc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433019408 1033667603 /nfs/dbraw/zinc/66/76/03/1033667603.db2.gz NRNMXGJSGXBRBN-GOSISDBHSA-N 1 0 330.435 4.463 20 30 EIEDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433019971 1033669952 /nfs/dbraw/zinc/66/99/52/1033669952.db2.gz LXKQVTZNQDEGKZ-NRFANRHFSA-N 1 0 349.478 4.060 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1cncn1Cc1ccccc1)c1ccccc1 ZINC000433021765 1033676464 /nfs/dbraw/zinc/67/64/64/1033676464.db2.gz YILXENJMMAMDNY-QFIPXVFZSA-N 1 0 344.462 4.456 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673189 1033680787 /nfs/dbraw/zinc/68/07/87/1033680787.db2.gz PGLQWQDYZSGXQR-KDOFPFPSSA-N 1 0 329.419 4.024 20 30 EIEDRO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1ccc(C#N)cc1F ZINC000433082966 1033811336 /nfs/dbraw/zinc/81/13/36/1033811336.db2.gz NAZATGHKRPGWNN-SJLPKXTDSA-N 1 0 337.442 4.265 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cccc3cc[nH]c32)ccc1OC ZINC000237020378 1033995824 /nfs/dbraw/zinc/99/58/24/1033995824.db2.gz WRJLGKAPQCBHPK-SFHVURJKSA-N 1 0 349.434 4.147 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)c1 ZINC000433190277 1034012458 /nfs/dbraw/zinc/01/24/58/1034012458.db2.gz UNWFRJYVWSDLEY-HXUWFJFHSA-N 1 0 336.479 4.258 20 30 EIEDRO COCCC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1 ZINC000453362539 1034017074 /nfs/dbraw/zinc/01/70/74/1034017074.db2.gz BFUJDTKQCOPSRK-LJQANCHMSA-N 1 0 330.378 4.094 20 30 EIEDRO N#CC1(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CCCCC1 ZINC000411716920 1034050995 /nfs/dbraw/zinc/05/09/95/1034050995.db2.gz HPRDXJXEAOIWQW-NJDAHSKKSA-N 1 0 338.495 4.355 20 30 EIEDRO Fc1cc(F)c(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1F ZINC000430024865 1034096763 /nfs/dbraw/zinc/09/67/63/1034096763.db2.gz JKGROYGDICEYQT-YUMQZZPRSA-N 1 0 329.259 4.454 20 30 EIEDRO OCC1([C@H]([NH2+]CC#Cc2ccc(Cl)cc2)c2ccccc2)CCC1 ZINC000433315896 1034231289 /nfs/dbraw/zinc/23/12/89/1034231289.db2.gz ZOFOIOBDBGKKHF-HXUWFJFHSA-N 1 0 339.866 4.185 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC2(C(F)(F)F)CCC2)ccc1OC ZINC000512968483 1034260069 /nfs/dbraw/zinc/26/00/69/1034260069.db2.gz XGLYHBQKGPNYAN-UHFFFAOYSA-N 1 0 343.389 4.472 20 30 EIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614403098 1034550670 /nfs/dbraw/zinc/55/06/70/1034550670.db2.gz CKYAFBCYKLZPRR-FQEVSTJZSA-N 1 0 344.462 4.189 20 30 EIEDRO C=CCc1cc(C[NH+]2CCC(OCCC(C)C)CC2)c(O)c(OC)c1 ZINC000178859716 1034779321 /nfs/dbraw/zinc/77/93/21/1034779321.db2.gz FSFPONWQKQKUCB-UHFFFAOYSA-N 1 0 347.499 4.156 20 30 EIEDRO O=C(CCCC[NH+]1CCCC1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000729309748 1034780021 /nfs/dbraw/zinc/78/00/21/1034780021.db2.gz ZJPVMPKFZVWRDS-UHFFFAOYSA-N 1 0 346.474 4.291 20 30 EIEDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000729316533 1034780257 /nfs/dbraw/zinc/78/02/57/1034780257.db2.gz LRCVRALZUSZZNE-RTWAWAEBSA-N 1 0 347.462 4.155 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cccc(C)c2C)cc(OC)c1OC ZINC000237109841 1034816575 /nfs/dbraw/zinc/81/65/75/1034816575.db2.gz VLYLNSOWUWNYRS-UHFFFAOYSA-N 1 0 325.452 4.339 20 30 EIEDRO CC(C)c1cccc(NC(=[NH2+])N[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000261714187 1034846044 /nfs/dbraw/zinc/84/60/44/1034846044.db2.gz KGKTZFHONVSSBU-JBEBIEQOSA-N 1 0 343.496 4.035 20 30 EIEDRO COc1ccc(-c2cc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)on2)cc1 ZINC000614479713 1034859296 /nfs/dbraw/zinc/85/92/96/1034859296.db2.gz NXKZPWYTSLNICN-OAHLLOKOSA-N 1 0 347.418 4.415 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182434161 1034945714 /nfs/dbraw/zinc/94/57/14/1034945714.db2.gz NMBLOVQDONSFQA-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430019071 1035012147 /nfs/dbraw/zinc/01/21/47/1035012147.db2.gz GHLUXLGRMWHHGR-UHFFFAOYSA-N 1 0 348.918 4.259 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000513712392 1035422169 /nfs/dbraw/zinc/42/21/69/1035422169.db2.gz BTHAHXKIMVSJCX-RXQRSOPUSA-N 1 0 330.447 4.366 20 30 EIEDRO CC[NH+](CC)[C@H](C(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000469149782 1035465974 /nfs/dbraw/zinc/46/59/74/1035465974.db2.gz XCGYMRNDCSPYIB-KRWDZBQOSA-N 1 0 341.480 4.258 20 30 EIEDRO C[C@@]1(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1(F)F ZINC000594983651 1035515298 /nfs/dbraw/zinc/51/52/98/1035515298.db2.gz HMBONDAZYXLBJR-IBGZPJMESA-N 1 0 342.389 4.272 20 30 EIEDRO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594988708 1035519826 /nfs/dbraw/zinc/51/98/26/1035519826.db2.gz BVZORDGWFHMMDN-LEWJYISDSA-N 1 0 336.479 4.336 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c(C(F)(F)F)c1 ZINC000594994494 1035521138 /nfs/dbraw/zinc/52/11/38/1035521138.db2.gz GSMDTZMMTULKSO-BPQIPLTHSA-N 1 0 346.327 4.144 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1ccc(C#N)cc1)CC3 ZINC000595055971 1035537098 /nfs/dbraw/zinc/53/70/98/1035537098.db2.gz NRCJOKRJISBGOG-SFHVURJKSA-N 1 0 329.447 4.038 20 30 EIEDRO COc1cc(CC#N)cc(-c2ccc(C[NH+](C)C)cc2)c1OC(F)F ZINC000904752900 1035550573 /nfs/dbraw/zinc/55/05/73/1035550573.db2.gz OCVCGFKODAAPEP-UHFFFAOYSA-N 1 0 346.377 4.091 20 30 EIEDRO C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000595073372 1035555414 /nfs/dbraw/zinc/55/54/14/1035555414.db2.gz WOFMKERYWDMZSA-RYUDHWBXSA-N 1 0 334.341 4.094 20 30 EIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000485002046 1035585192 /nfs/dbraw/zinc/58/51/92/1035585192.db2.gz LUEIVMMYWZBHSV-LSDHHAIUSA-N 1 0 347.418 4.291 20 30 EIEDRO Cc1cc(C)c(C#N)c(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000029529459 1035597129 /nfs/dbraw/zinc/59/71/29/1035597129.db2.gz AJCMDSPLJZPQEX-UHFFFAOYSA-N 1 0 348.494 4.414 20 30 EIEDRO N#CC1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCCC1 ZINC000595090146 1035598606 /nfs/dbraw/zinc/59/86/06/1035598606.db2.gz DHKPGBULBQTLBG-LPHOPBHVSA-N 1 0 330.447 4.357 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3ccc(O)cc32)CC1 ZINC000595093340 1035599556 /nfs/dbraw/zinc/59/95/56/1035599556.db2.gz ZZMQCDKQFLBLSE-QUENFVSXSA-N 1 0 332.447 4.373 20 30 EIEDRO C[C@@H]1C[C@@H]([N@H+](C)CCc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000595342642 1035637232 /nfs/dbraw/zinc/63/72/32/1035637232.db2.gz FNQJRCJGPGMOJA-XXBNENTESA-N 1 0 347.506 4.086 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)CC3 ZINC000574988741 1035650836 /nfs/dbraw/zinc/65/08/36/1035650836.db2.gz NVYQAAIWWFPLIB-SFHVURJKSA-N 1 0 329.447 4.190 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000575027124 1035657275 /nfs/dbraw/zinc/65/72/75/1035657275.db2.gz QNASELCOEGUOHI-KGLIPLIRSA-N 1 0 349.459 4.451 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595428822 1035676407 /nfs/dbraw/zinc/67/64/07/1035676407.db2.gz NYADGEGVFZJOAL-AUUYWEPGSA-N 1 0 328.843 4.120 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2cnc(C3CCC3)s2)c1 ZINC000905078139 1035720148 /nfs/dbraw/zinc/72/01/48/1035720148.db2.gz LSVZLJSIVBQDKM-MDZDMXLPSA-N 1 0 326.465 4.368 20 30 EIEDRO O=C1c2ccccc2C(Nc2ccc3c(c2)C[NH2+]C3)=C1c1ccccc1 ZINC001168407701 1035737741 /nfs/dbraw/zinc/73/77/41/1035737741.db2.gz KNTDDWGJGRXYSL-UHFFFAOYSA-N 1 0 338.410 4.467 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[NH2+][C@@H]3CCCC34CCCCC4)o2)cc1 ZINC000595606281 1035744595 /nfs/dbraw/zinc/74/45/95/1035744595.db2.gz WULZVHJGXDHQEV-QGZVFWFLSA-N 1 0 336.439 4.201 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)cc1 ZINC000761123344 1035758818 /nfs/dbraw/zinc/75/88/18/1035758818.db2.gz KYRTYVTXMBVZKZ-YADHBBJMSA-N 1 0 334.463 4.079 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000595677885 1035766158 /nfs/dbraw/zinc/76/61/58/1035766158.db2.gz WCAHCOCTRIRNIB-HXUWFJFHSA-N 1 0 349.434 4.097 20 30 EIEDRO CC(C)(C)OC(=O)CCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000595716420 1035773092 /nfs/dbraw/zinc/77/30/92/1035773092.db2.gz GHOZAHHTRXYEAV-UHFFFAOYSA-N 1 0 346.446 4.031 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)o2)c1 ZINC000595738926 1035777487 /nfs/dbraw/zinc/77/74/87/1035777487.db2.gz OLBDPIOGIQYRKP-GOSISDBHSA-N 1 0 336.439 4.010 20 30 EIEDRO CCC(CC)CCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595828382 1035800938 /nfs/dbraw/zinc/80/09/38/1035800938.db2.gz DFXOWMVEWPEBKQ-UHFFFAOYSA-N 1 0 326.444 4.256 20 30 EIEDRO C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](CC(F)(F)F)O1 ZINC000595889541 1035802176 /nfs/dbraw/zinc/80/21/76/1035802176.db2.gz JFKRUDKWQNRBMB-CZUORRHYSA-N 1 0 340.389 4.029 20 30 EIEDRO C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)C[C@H](CC(F)(F)F)O1 ZINC000595889540 1035803138 /nfs/dbraw/zinc/80/31/38/1035803138.db2.gz JFKRUDKWQNRBMB-CJNGLKHVSA-N 1 0 340.389 4.029 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000596067331 1035818594 /nfs/dbraw/zinc/81/85/94/1035818594.db2.gz WUMYUHVFSFRYTR-CXAGYDPISA-N 1 0 346.272 4.250 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000596067348 1035819301 /nfs/dbraw/zinc/81/93/01/1035819301.db2.gz WUMYUHVFSFRYTR-GUYCJALGSA-N 1 0 346.272 4.250 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)c1ccc(C#N)cc1 ZINC000596094800 1035821531 /nfs/dbraw/zinc/82/15/31/1035821531.db2.gz MFRJVFCLWHBSRS-WOJBJXKFSA-N 1 0 342.446 4.472 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(N2CCC([NH2+]Cc3ccccc3)CC2)n1 ZINC000596252644 1035840610 /nfs/dbraw/zinc/84/06/10/1035840610.db2.gz PWDWHILVZDGPIW-UHFFFAOYSA-N 1 0 348.494 4.009 20 30 EIEDRO Cc1nc(N2CCC3(CCC([NH+](C)C)CC3)CC2)c(Cl)cc1C#N ZINC000596256088 1035844349 /nfs/dbraw/zinc/84/43/49/1035844349.db2.gz YOVQLTVZPWCGDD-UHFFFAOYSA-N 1 0 346.906 4.006 20 30 EIEDRO N#CCN1CCC([NH2+][C@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000586790005 1035847963 /nfs/dbraw/zinc/84/79/63/1035847963.db2.gz YXPOKVABKPJSOF-PMACEKPBSA-N 1 0 345.918 4.334 20 30 EIEDRO N#CCN1CCC([NH2+][C@@H]2CCCCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000586790007 1035848123 /nfs/dbraw/zinc/84/81/23/1035848123.db2.gz YXPOKVABKPJSOF-VQTJNVASSA-N 1 0 345.918 4.334 20 30 EIEDRO C[C@H](CNc1cccc(Cl)c1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000502106567 1035851407 /nfs/dbraw/zinc/85/14/07/1035851407.db2.gz COVAZLPYMSBNHU-CQSZACIVSA-N 1 0 325.843 4.070 20 30 EIEDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1Cl)CC2 ZINC000366743858 1035904890 /nfs/dbraw/zinc/90/48/90/1035904890.db2.gz KHKCJOVWQKEYLE-CZUORRHYSA-N 1 0 342.874 4.197 20 30 EIEDRO C=CCSc1ccccc1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000485477309 1035909137 /nfs/dbraw/zinc/90/91/37/1035909137.db2.gz GWMFNTUYIDFJEE-IXDOHACOSA-N 1 0 346.540 4.061 20 30 EIEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000421009117 1035912734 /nfs/dbraw/zinc/91/27/34/1035912734.db2.gz BJBYMMIZYJGRTI-IBGZPJMESA-N 1 0 347.462 4.155 20 30 EIEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000421009122 1035913295 /nfs/dbraw/zinc/91/32/95/1035913295.db2.gz BJBYMMIZYJGRTI-LJQANCHMSA-N 1 0 347.462 4.155 20 30 EIEDRO C=CCSc1ccccc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000485469205 1035915801 /nfs/dbraw/zinc/91/58/01/1035915801.db2.gz TXRJLCDUKFBFNF-UHFFFAOYSA-N 1 0 340.492 4.321 20 30 EIEDRO CCOc1cc2c(cc1C[NH2+][C@@H]1CCc3ccc(C#N)cc31)O[C@@H](C)C2 ZINC000571091931 1035938801 /nfs/dbraw/zinc/93/88/01/1035938801.db2.gz IHOUPQJVPBNLLK-VBKZILBWSA-N 1 0 348.446 4.057 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000485493188 1035940325 /nfs/dbraw/zinc/94/03/25/1035940325.db2.gz PXCCHVCTGZXKKH-MRXNPFEDSA-N 1 0 346.540 4.205 20 30 EIEDRO Cc1ccc(C#N)cc1C(=O)N(C[C@@H](C)[NH+](C)C)c1c(C)cccc1C ZINC000905934706 1035989260 /nfs/dbraw/zinc/98/92/60/1035989260.db2.gz UIAOCUKNLIOZBV-GOSISDBHSA-N 1 0 349.478 4.080 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(-c2cnn(C)c2)s1 ZINC000571228705 1036009300 /nfs/dbraw/zinc/00/93/00/1036009300.db2.gz ORIIVNARXCBXAO-UHFFFAOYSA-N 1 0 329.494 4.398 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)CC2(C#N)CCCCC2)c1 ZINC000596777213 1036015794 /nfs/dbraw/zinc/01/57/94/1036015794.db2.gz VYPRICFDOQDBJS-UHFFFAOYSA-N 1 0 327.472 4.331 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)N(C)c1ccccc1 ZINC000571485475 1036056947 /nfs/dbraw/zinc/05/69/47/1036056947.db2.gz JOLWUXMSOQERPI-AWEZNQCLSA-N 1 0 347.384 4.192 20 30 EIEDRO C[N@@H+]1CCC[C@@H](CNc2cccc(F)c2C#N)[C@@H]1c1cccs1 ZINC000078338441 1036071739 /nfs/dbraw/zinc/07/17/39/1036071739.db2.gz RGMYDAWWHOFBIH-SCLBCKFNSA-N 1 0 329.444 4.254 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](COc4ccccc4)C3)cc2)CC1 ZINC000597085844 1036103425 /nfs/dbraw/zinc/10/34/25/1036103425.db2.gz YKIHWLVKYOBPBO-LJQANCHMSA-N 1 0 332.447 4.143 20 30 EIEDRO N#CC1(c2ccc(C[N@H+](Cc3ccc(O)cc3)CC3CC3)cc2)CC1 ZINC000597131777 1036113130 /nfs/dbraw/zinc/11/31/30/1036113130.db2.gz YJBHJNOMUAOZKR-UHFFFAOYSA-N 1 0 332.447 4.360 20 30 EIEDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccs1 ZINC000597149491 1036130473 /nfs/dbraw/zinc/13/04/73/1036130473.db2.gz LHPUPDAPSSDXAJ-SFHVURJKSA-N 1 0 340.492 4.153 20 30 EIEDRO CCCCOc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1OCC ZINC000597174296 1036141506 /nfs/dbraw/zinc/14/15/06/1036141506.db2.gz OUBCWFVWVBVTKU-QGZVFWFLSA-N 1 0 330.472 4.390 20 30 EIEDRO N#CC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000597174294 1036143148 /nfs/dbraw/zinc/14/31/48/1036143148.db2.gz ORHPKDWLRXTEKI-SFHVURJKSA-N 1 0 345.446 4.263 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000597229407 1036161998 /nfs/dbraw/zinc/16/19/98/1036161998.db2.gz SYMILRBCQRNKSM-OFWKBQFLSA-N 1 0 327.255 4.089 20 30 EIEDRO CC1(C)SC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000571899054 1036272406 /nfs/dbraw/zinc/27/24/06/1036272406.db2.gz VIGPEKGMSNMDPG-LJQANCHMSA-N 1 0 338.476 4.121 20 30 EIEDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000485802523 1036284056 /nfs/dbraw/zinc/28/40/56/1036284056.db2.gz UEMIEEQFEQFRHB-CQSZACIVSA-N 1 0 339.395 4.058 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)s2)sc1Br ZINC000421347913 1036292627 /nfs/dbraw/zinc/29/26/27/1036292627.db2.gz GHIFLTNMEUEEIW-UHFFFAOYSA-N 1 0 327.272 4.042 20 30 EIEDRO CCOC(=O)CC(C)(C)CC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000588199216 1036297293 /nfs/dbraw/zinc/29/72/93/1036297293.db2.gz SRDITKUQNLYFLG-MRXNPFEDSA-N 1 0 330.472 4.311 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000588232561 1036307760 /nfs/dbraw/zinc/30/77/60/1036307760.db2.gz NFNUEDVEXCDLIO-MJGOQNOKSA-N 1 0 328.843 4.028 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC23CCSCC3)c(C(F)(F)F)c1 ZINC000421372959 1036321272 /nfs/dbraw/zinc/32/12/72/1036321272.db2.gz GHUTVTGASCUFCO-CQSZACIVSA-N 1 0 340.414 4.200 20 30 EIEDRO CCCCOc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1OCC ZINC000421356037 1036332259 /nfs/dbraw/zinc/33/22/59/1036332259.db2.gz WAMJPKMWAKOHNN-UHFFFAOYSA-N 1 0 344.480 4.487 20 30 EIEDRO C[C@@H]([NH2+]C1(CNC(=O)CCCCCC#N)CCCC1)c1ccccc1 ZINC000588358217 1036356581 /nfs/dbraw/zinc/35/65/81/1036356581.db2.gz FPZNHNSFYKRMQI-GOSISDBHSA-N 1 0 341.499 4.240 20 30 EIEDRO N#CCC1(C[NH2+]Cc2cnn(C3CCCC3)c2-c2ccccc2)CC1 ZINC000421405984 1036375253 /nfs/dbraw/zinc/37/52/53/1036375253.db2.gz ZJGZTRPAGJQSLV-UHFFFAOYSA-N 1 0 334.467 4.449 20 30 EIEDRO C[N@@H+]1CCc2c(C#N)c(Nc3ccc(F)c(Cl)c3F)sc2C1 ZINC001213200556 1036439768 /nfs/dbraw/zinc/43/97/68/1036439768.db2.gz AVDVGXVMBJWUHZ-UHFFFAOYSA-N 1 0 339.798 4.283 20 30 EIEDRO COc1cc(C[N@H+](C[C@H](C)CCC#N)C2CC2)ccc1OC(F)F ZINC000602437017 1036449185 /nfs/dbraw/zinc/44/91/85/1036449185.db2.gz QBZXYOLJQDDSEH-CYBMUJFWSA-N 1 0 338.398 4.201 20 30 EIEDRO C[C@@H](CCC#N)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000602450288 1036450999 /nfs/dbraw/zinc/45/09/99/1036450999.db2.gz WVJBJEZPNZIEGR-ZDUSSCGKSA-N 1 0 329.271 4.118 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000602501025 1036458501 /nfs/dbraw/zinc/45/85/01/1036458501.db2.gz CEBKSAKAONSLEL-KDOFPFPSSA-N 1 0 332.875 4.480 20 30 EIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC1CCC(C#N)CC1 ZINC000602492970 1036466995 /nfs/dbraw/zinc/46/69/95/1036466995.db2.gz ZZDAXLYGWHDRND-UHFFFAOYSA-N 1 0 329.513 4.038 20 30 EIEDRO COc1cc(C[NH2+]C[C@H](C)CCC#N)ccc1OCc1ccccc1 ZINC000602508914 1036482986 /nfs/dbraw/zinc/48/29/86/1036482986.db2.gz NSGVKRMLHXENOB-QGZVFWFLSA-N 1 0 338.451 4.304 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000602545122 1036488591 /nfs/dbraw/zinc/48/85/91/1036488591.db2.gz SXDNLEZLJWNJIF-SNVBAGLBSA-N 1 0 347.203 4.080 20 30 EIEDRO N#CC1CCC([NH2+]CC2(c3cccc(Br)c3)CC2)CC1 ZINC000602548151 1036491015 /nfs/dbraw/zinc/49/10/15/1036491015.db2.gz QNXLTGTYYRSNIY-UHFFFAOYSA-N 1 0 333.273 4.153 20 30 EIEDRO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602565891 1036499657 /nfs/dbraw/zinc/49/96/57/1036499657.db2.gz BDRRPXWWJGDKKD-MSOLQXFVSA-N 1 0 344.499 4.361 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000602570484 1036500011 /nfs/dbraw/zinc/50/00/11/1036500011.db2.gz ACZKHRPLTHYBTQ-KFWWJZLASA-N 1 0 332.410 4.044 20 30 EIEDRO N#CC1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000602600375 1036505549 /nfs/dbraw/zinc/50/55/49/1036505549.db2.gz IPKGBMBAXYYENO-RUXDESIVSA-N 1 0 338.282 4.244 20 30 EIEDRO CC[C@H]([NH2+]Cc1cccc(C#N)n1)c1cc(F)cc(Br)c1 ZINC000602622436 1036522392 /nfs/dbraw/zinc/52/23/92/1036522392.db2.gz UPAKMTSEMOFZTE-INIZCTEOSA-N 1 0 348.219 4.096 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000602610237 1036527245 /nfs/dbraw/zinc/52/72/45/1036527245.db2.gz HMMAOJMRTNECGL-NVXWUHKLSA-N 1 0 339.508 4.445 20 30 EIEDRO N#CC1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000602613432 1036530769 /nfs/dbraw/zinc/53/07/69/1036530769.db2.gz ZVPTULKEWGKGFV-UHFFFAOYSA-N 1 0 332.245 4.102 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000602642469 1036532758 /nfs/dbraw/zinc/53/27/58/1036532758.db2.gz YCUKZVAUHDBRKD-MFKMUULPSA-N 1 0 325.275 4.125 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(-c2ccco2)cc1F ZINC000602642249 1036536456 /nfs/dbraw/zinc/53/64/56/1036536456.db2.gz BLVYCZZIJNCFPL-OAHLLOKOSA-N 1 0 342.414 4.274 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[C@H](c2ccccc2)C1 ZINC000602632611 1036544731 /nfs/dbraw/zinc/54/47/31/1036544731.db2.gz CVKHVJUOQMXESC-HOJAQTOUSA-N 1 0 326.484 4.401 20 30 EIEDRO CC[NH+](CC)Cc1ccc(N[C@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602629982 1036545741 /nfs/dbraw/zinc/54/57/41/1036545741.db2.gz NQZQDFJPLIMEMZ-QGZVFWFLSA-N 1 0 329.488 4.039 20 30 EIEDRO COc1ccc(C[N@H+](CCc2ccccn2)C[C@H](C)CCC#N)cc1 ZINC000602637592 1036547007 /nfs/dbraw/zinc/54/70/07/1036547007.db2.gz GOIOZUVSKKMDHM-GOSISDBHSA-N 1 0 337.467 4.075 20 30 EIEDRO Cc1ccc(C(C)(C)C[NH2+][C@H](C)CC2(C#N)CCOCC2)c(C)c1 ZINC000602671885 1036551527 /nfs/dbraw/zinc/55/15/27/1036551527.db2.gz MEDJXGVUHPINSG-GOSISDBHSA-N 1 0 328.500 4.270 20 30 EIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC000602653960 1036551767 /nfs/dbraw/zinc/55/17/67/1036551767.db2.gz RTYSPIISHFPUSX-UHFFFAOYSA-N 1 0 345.421 4.431 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC000602705707 1036583073 /nfs/dbraw/zinc/58/30/73/1036583073.db2.gz ONMUILXIVGXSAT-HPDBWDTBSA-N 1 0 334.504 4.051 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ncc(Br)s1 ZINC000414537554 1036586170 /nfs/dbraw/zinc/58/61/70/1036586170.db2.gz PIEYFLXKRFTQJG-CYBMUJFWSA-N 1 0 337.286 4.183 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000602713412 1036586425 /nfs/dbraw/zinc/58/64/25/1036586425.db2.gz AAQRONPDDRRJCU-UTKZUKDTSA-N 1 0 326.484 4.043 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cc(F)c(Br)cc1F ZINC000602719748 1036590019 /nfs/dbraw/zinc/59/00/19/1036590019.db2.gz GGCDYEKOGJFMNR-VHSXEESVSA-N 1 0 331.204 4.318 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000602719746 1036591766 /nfs/dbraw/zinc/59/17/66/1036591766.db2.gz GGCDYEKOGJFMNR-NXEZZACHSA-N 1 0 331.204 4.318 20 30 EIEDRO C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000588957441 1036623102 /nfs/dbraw/zinc/62/31/02/1036623102.db2.gz HKDICNOALMQXMJ-AVMKSMHYSA-N 1 0 347.462 4.481 20 30 EIEDRO Cc1nc(C(C)C)ccc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602908881 1036661213 /nfs/dbraw/zinc/66/12/13/1036661213.db2.gz WALWNXHXRBTPQO-UHFFFAOYSA-N 1 0 334.467 4.160 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907676559 1036691587 /nfs/dbraw/zinc/69/15/87/1036691587.db2.gz KKGZGCUVPBCVPA-MJGOQNOKSA-N 1 0 326.484 4.494 20 30 EIEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](C4CCC4)CC3)o2)cc1 ZINC000602999247 1036695494 /nfs/dbraw/zinc/69/54/94/1036695494.db2.gz BCVFJSIDGMZOTO-KRWDZBQOSA-N 1 0 336.439 4.010 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000598585057 1036704637 /nfs/dbraw/zinc/70/46/37/1036704637.db2.gz PTWYNLKUQIGBCQ-AWEZNQCLSA-N 1 0 334.510 4.113 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1Oc1ccccc1 ZINC000598603688 1036704780 /nfs/dbraw/zinc/70/47/80/1036704780.db2.gz YUJBWSGQEXCBST-IRXDYDNUSA-N 1 0 338.451 4.430 20 30 EIEDRO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598585519 1036704888 /nfs/dbraw/zinc/70/48/88/1036704888.db2.gz FQIOLWGGLTXOPF-CYBMUJFWSA-N 1 0 329.271 4.116 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(-c2ccc(F)cc2)cc1 ZINC000598602489 1036705935 /nfs/dbraw/zinc/70/59/35/1036705935.db2.gz SPZLAOHPBNBMEP-FOIQADDNSA-N 1 0 340.442 4.444 20 30 EIEDRO CC(C)[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598587953 1036708475 /nfs/dbraw/zinc/70/84/75/1036708475.db2.gz XQCJXNPYSUXDNR-INIZCTEOSA-N 1 0 342.405 4.217 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000598622859 1036716574 /nfs/dbraw/zinc/71/65/74/1036716574.db2.gz SKDTYYHRKBQYEE-OALUTQOASA-N 1 0 326.484 4.295 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000589284673 1036732021 /nfs/dbraw/zinc/73/20/21/1036732021.db2.gz RAWAIYKYWHVPEM-VQTJNVASSA-N 1 0 339.870 4.055 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)CC2 ZINC000589337192 1036738397 /nfs/dbraw/zinc/73/83/97/1036738397.db2.gz UCUPQFZYDMUJEA-SFHVURJKSA-N 1 0 346.352 4.276 20 30 EIEDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589311296 1036745692 /nfs/dbraw/zinc/74/56/92/1036745692.db2.gz LQDYPCKHOYNBEP-GFCCVEGCSA-N 1 0 334.341 4.003 20 30 EIEDRO CC[C@H](CC(F)F)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000659935690 1036752163 /nfs/dbraw/zinc/75/21/63/1036752163.db2.gz LAYOBCDSCRYMEZ-MRVPVSSYSA-N 1 0 327.259 4.485 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC(C)(C)c1c(Cl)cccc1Cl ZINC000598718400 1036760408 /nfs/dbraw/zinc/76/04/08/1036760408.db2.gz AYIKWKFICPEECI-GFCCVEGCSA-N 1 0 343.298 4.161 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1Sc1ccccc1 ZINC000598721191 1036760687 /nfs/dbraw/zinc/76/06/87/1036760687.db2.gz SZXFNTARBLOTQR-QGZVFWFLSA-N 1 0 340.492 4.228 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCC(C)(C)c3cccc1c32 ZINC000598724807 1036763044 /nfs/dbraw/zinc/76/30/44/1036763044.db2.gz RDDDZSVHLCBCJB-RLFYNMQTSA-N 1 0 326.484 4.177 20 30 EIEDRO CCC[N@H+](CCCC(C)(C)C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502896250 1036765396 /nfs/dbraw/zinc/76/53/96/1036765396.db2.gz UEKDIYGZPDVOCY-QGZVFWFLSA-N 1 0 329.488 4.446 20 30 EIEDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589503084 1036802704 /nfs/dbraw/zinc/80/27/04/1036802704.db2.gz JJNPBEHZKATITA-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)s1 ZINC000421882580 1036833264 /nfs/dbraw/zinc/83/32/64/1036833264.db2.gz PXDLZCLPLFPGPP-HNNXBMFYSA-N 1 0 337.370 4.201 20 30 EIEDRO C[N@@H+]1CC[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)CC1(C)C ZINC000598973450 1036837330 /nfs/dbraw/zinc/83/73/30/1036837330.db2.gz ITFRWSNOJIBYFG-HXUWFJFHSA-N 1 0 333.479 4.188 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000593665066 1036853094 /nfs/dbraw/zinc/85/30/94/1036853094.db2.gz BOQQGHSITQDZOJ-NRFANRHFSA-N 1 0 337.442 4.407 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCOc2ccccc2F)cc1Cl ZINC000589634784 1036854170 /nfs/dbraw/zinc/85/41/70/1036854170.db2.gz FHSXPOBRSHPMGW-UHFFFAOYSA-N 1 0 335.806 4.213 20 30 EIEDRO C=CCCCCC[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000486807850 1036865714 /nfs/dbraw/zinc/86/57/14/1036865714.db2.gz AAPVJAHKZUKQLI-UHFFFAOYSA-N 1 0 346.490 4.209 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000589727683 1036870810 /nfs/dbraw/zinc/87/08/10/1036870810.db2.gz JXUBSYOIQLYAMY-UWJYYQICSA-N 1 0 349.453 4.191 20 30 EIEDRO Cc1ccccc1C[C@H](C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593693010 1036893281 /nfs/dbraw/zinc/89/32/81/1036893281.db2.gz LTZNRPHXWIWSNJ-IBGZPJMESA-N 1 0 347.506 4.052 20 30 EIEDRO C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1CCCCC1 ZINC000593695312 1036902539 /nfs/dbraw/zinc/90/25/39/1036902539.db2.gz KQNYUDUNZYCVAP-KRWDZBQOSA-N 1 0 325.500 4.081 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c(F)c1 ZINC000589945446 1036913367 /nfs/dbraw/zinc/91/33/67/1036913367.db2.gz FHNJRPICEAMKIK-YWZLYKJASA-N 1 0 342.389 4.094 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cc1 ZINC000599363455 1036977234 /nfs/dbraw/zinc/97/72/34/1036977234.db2.gz WDNJURBRCVOZOW-INIZCTEOSA-N 1 0 340.492 4.456 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cc1 ZINC000599363456 1036979380 /nfs/dbraw/zinc/97/93/80/1036979380.db2.gz WDNJURBRCVOZOW-MRXNPFEDSA-N 1 0 340.492 4.456 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1ccncc1Br)c1ccccc1 ZINC000599426535 1037001945 /nfs/dbraw/zinc/00/19/45/1037001945.db2.gz HXRWZSSFETYTSV-QGZVFWFLSA-N 1 0 344.256 4.369 20 30 EIEDRO Cc1ccc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)cc1C#N ZINC000599434646 1037011417 /nfs/dbraw/zinc/01/14/17/1037011417.db2.gz DUGBHQJEXPSXQV-SFHVURJKSA-N 1 0 349.261 4.171 20 30 EIEDRO CCC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000271793680 1037016939 /nfs/dbraw/zinc/01/69/39/1037016939.db2.gz NRTLBTOMBPUGCX-IBGZPJMESA-N 1 0 330.378 4.498 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1 ZINC000057395839 1037043423 /nfs/dbraw/zinc/04/34/23/1037043423.db2.gz JMIBFEUKFNNLOU-QGZVFWFLSA-N 1 0 339.483 4.474 20 30 EIEDRO Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(OCC#N)cc3)c[nH]c2c1 ZINC000271919208 1037056517 /nfs/dbraw/zinc/05/65/17/1037056517.db2.gz ZPHFLHSLPJVBLI-INIZCTEOSA-N 1 0 333.435 4.272 20 30 EIEDRO N#Cc1ccc(C2([NH2+]CC/C=C\c3ccccc3)CCOCC2)cc1 ZINC000599630407 1037100040 /nfs/dbraw/zinc/10/00/40/1037100040.db2.gz NMFOECBJXSAUSZ-YWEYNIOJSA-N 1 0 332.447 4.257 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](C#N)CCC#N ZINC000599651367 1037118838 /nfs/dbraw/zinc/11/88/38/1037118838.db2.gz GIRCYGBTMXRNIU-IJEWVQPXSA-N 1 0 346.272 4.070 20 30 EIEDRO CC(C)CC[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000590644688 1037131423 /nfs/dbraw/zinc/13/14/23/1037131423.db2.gz RVVBXWFSMMLNSG-XLIONFOSSA-N 1 0 340.515 4.117 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C2CCC(OC(F)F)CC2)c1 ZINC000590662270 1037136250 /nfs/dbraw/zinc/13/62/50/1037136250.db2.gz IRNDBZCGWOGNFM-UHFFFAOYSA-N 1 0 338.398 4.009 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000590749553 1037154142 /nfs/dbraw/zinc/15/41/42/1037154142.db2.gz CCDSGLOHJARGCI-SFHVURJKSA-N 1 0 348.368 4.099 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCC34CCCCC4)CC2)nc1 ZINC000590777797 1037164065 /nfs/dbraw/zinc/16/40/65/1037164065.db2.gz XEKIKWOWTBKIBP-IBGZPJMESA-N 1 0 338.499 4.015 20 30 EIEDRO CN(Cc1ccc(Br)cc1)Cc1ccc(C#N)cc1F ZINC000042316447 1037168973 /nfs/dbraw/zinc/16/89/73/1037168973.db2.gz RBBJXOGLJRYVOO-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO C=CCCCCC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000487879889 1037268270 /nfs/dbraw/zinc/26/82/70/1037268270.db2.gz XFUQWZOJAYMUQK-UHFFFAOYSA-N 1 0 326.282 4.029 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)cc1 ZINC000183818571 1037315947 /nfs/dbraw/zinc/31/59/47/1037315947.db2.gz QMOYNUXGBWXMFG-UHFFFAOYSA-N 1 0 340.224 4.092 20 30 EIEDRO CC1(C#N)CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000273231946 1037384919 /nfs/dbraw/zinc/38/49/19/1037384919.db2.gz XCPSNLYMQULCBJ-UHFFFAOYSA-N 1 0 336.435 4.097 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@H]1CCCc3cc(C#N)ccc31)CC2 ZINC000591348925 1037390981 /nfs/dbraw/zinc/39/09/81/1037390981.db2.gz DUHIZIRUOKUAGV-PMACEKPBSA-N 1 0 348.446 4.230 20 30 EIEDRO Cc1cc(-c2noc([C@H](C)[NH2+]CCCC(C)(C)C#N)n2)ccc1F ZINC000273298871 1037402725 /nfs/dbraw/zinc/40/27/25/1037402725.db2.gz KHKBXGUFVXYZJU-ZDUSSCGKSA-N 1 0 330.407 4.165 20 30 EIEDRO C=CCCCCC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000488211506 1037429502 /nfs/dbraw/zinc/42/95/02/1037429502.db2.gz AHQNSERMXWEBNY-UHFFFAOYSA-N 1 0 326.484 4.034 20 30 EIEDRO C#CCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000760832742 1037458156 /nfs/dbraw/zinc/45/81/56/1037458156.db2.gz FWUNTKUSQHKICH-UHFFFAOYSA-N 1 0 333.435 4.020 20 30 EIEDRO COc1ncccc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000488258513 1037459791 /nfs/dbraw/zinc/45/97/91/1037459791.db2.gz YDRBVGXIJFTQEA-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1nccs1 ZINC000273428798 1037464702 /nfs/dbraw/zinc/46/47/02/1037464702.db2.gz KQMNWYAUBUPVQB-LSJNQWAISA-N 1 0 325.481 4.240 20 30 EIEDRO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000171562910 1037486520 /nfs/dbraw/zinc/48/65/20/1037486520.db2.gz URSPDGPXILCYIV-INIZCTEOSA-N 1 0 346.430 4.429 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3cc4ccc(F)cc4[nH]3)CC2)c1 ZINC000488335395 1037521145 /nfs/dbraw/zinc/52/11/45/1037521145.db2.gz GHXOHEQIYGSSGJ-UHFFFAOYSA-N 1 0 349.409 4.222 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCC(O)(c3ccccc3)CC2)cc1 ZINC000760907206 1037657051 /nfs/dbraw/zinc/65/70/51/1037657051.db2.gz JBIHEWQDACXAGZ-RHKCVOJBSA-N 1 0 349.474 4.180 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000760909808 1037658421 /nfs/dbraw/zinc/65/84/21/1037658421.db2.gz WVXLAJZVJBHIKX-GTMAMOSYSA-N 1 0 346.474 4.356 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(CCC#N)CC2)cc1 ZINC000573917397 1037721384 /nfs/dbraw/zinc/72/13/84/1037721384.db2.gz SGXKUHMSTRPHHW-UHFFFAOYSA-N 1 0 328.456 4.158 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccncc1C#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000592101188 1037730440 /nfs/dbraw/zinc/73/04/40/1037730440.db2.gz XDUIXORXFVBMDH-CHWSQXEVSA-N 1 0 333.357 4.254 20 30 EIEDRO N#Cc1cnccc1C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000592122389 1037736395 /nfs/dbraw/zinc/73/63/95/1037736395.db2.gz LGSBXBCTVGVNCT-ZWKOTPCHSA-N 1 0 345.368 4.398 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCC(C)(C)C ZINC000592145324 1037739144 /nfs/dbraw/zinc/73/91/44/1037739144.db2.gz SPXHQCFLNGPYOZ-OAHLLOKOSA-N 1 0 347.528 4.245 20 30 EIEDRO CCCC[N@H+](Cc1ccc(CC#N)cc1)[C@H]1CCc2ncsc2C1 ZINC000592188900 1037745335 /nfs/dbraw/zinc/74/53/35/1037745335.db2.gz QYEFGYUXCFJMII-SFHVURJKSA-N 1 0 339.508 4.369 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1CC)C(C)C ZINC000503432816 1037755063 /nfs/dbraw/zinc/75/50/63/1037755063.db2.gz AGMUNFAUAWIUBT-IBGZPJMESA-N 1 0 329.488 4.069 20 30 EIEDRO C=CCN1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)cc2)CC1 ZINC000592291142 1037771652 /nfs/dbraw/zinc/77/16/52/1037771652.db2.gz OICRCVJDNMEZLO-UHFFFAOYSA-N 1 0 335.495 4.195 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000592329069 1037771764 /nfs/dbraw/zinc/77/17/64/1037771764.db2.gz RCWJUGFWLJKJCN-UHFFFAOYSA-N 1 0 335.879 4.119 20 30 EIEDRO CC(C)Cn1nccc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000592365935 1037773417 /nfs/dbraw/zinc/77/34/17/1037773417.db2.gz LKJFIPFVKFBLCR-UHFFFAOYSA-N 1 0 344.462 4.368 20 30 EIEDRO C=CCC[C@H]([NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1)c1ccco1 ZINC000592398610 1037786479 /nfs/dbraw/zinc/78/64/79/1037786479.db2.gz ZDXMNMVVPFVJED-INIZCTEOSA-N 1 0 349.471 4.015 20 30 EIEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)c2cccc(Br)c21 ZINC000783300222 1037792630 /nfs/dbraw/zinc/79/26/30/1037792630.db2.gz KRLCASLUWFJLJE-MEDUHNTESA-N 1 0 342.240 4.054 20 30 EIEDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000592380295 1037793973 /nfs/dbraw/zinc/79/39/73/1037793973.db2.gz QMHJQGPWYFKHQN-FOIQADDNSA-N 1 0 338.476 4.121 20 30 EIEDRO COc1cc(C[NH2+]Cc2c(OC)ccc3ccccc32)ccc1C#N ZINC000573965837 1037794935 /nfs/dbraw/zinc/79/49/35/1037794935.db2.gz IGQQGLHTDRXKOJ-UHFFFAOYSA-N 1 0 332.403 4.018 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cccs2)C(CC)CC)CC1 ZINC000592502125 1037822700 /nfs/dbraw/zinc/82/27/00/1037822700.db2.gz HACHBNBSAQUKQE-SFHVURJKSA-N 1 0 349.544 4.175 20 30 EIEDRO CCCC[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCc2ncsc2C1 ZINC000592529740 1037825955 /nfs/dbraw/zinc/82/59/55/1037825955.db2.gz OTMCGCOXZCHKAQ-CQSZACIVSA-N 1 0 331.510 4.236 20 30 EIEDRO C=CCCC[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000605737478 1037857675 /nfs/dbraw/zinc/85/76/75/1037857675.db2.gz DWQBUYKGKWDRSD-UHFFFAOYSA-N 1 0 334.769 4.195 20 30 EIEDRO Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000592368422 1037902344 /nfs/dbraw/zinc/90/23/44/1037902344.db2.gz JHINNWIAEKTEKC-LJQANCHMSA-N 1 0 346.434 4.027 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000574060027 1037929564 /nfs/dbraw/zinc/92/95/64/1037929564.db2.gz MWPLVESBZLKTRW-QGZVFWFLSA-N 1 0 348.475 4.312 20 30 EIEDRO COc1cccc2c1CC[N@H+](Cc1ccccc1C(C)(C)C#N)CC2 ZINC000489536885 1038098871 /nfs/dbraw/zinc/09/88/71/1038098871.db2.gz YGVDEWXTIRSKOJ-UHFFFAOYSA-N 1 0 334.463 4.097 20 30 EIEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1cc(OC)c(OC)c(OC)c1 ZINC000593710673 1038138633 /nfs/dbraw/zinc/13/86/33/1038138633.db2.gz JLTUZNMYOLPQPJ-OAHLLOKOSA-N 1 0 334.460 4.083 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019514 1038212795 /nfs/dbraw/zinc/21/27/95/1038212795.db2.gz NLSFTVREDHKENT-INIZCTEOSA-N 1 0 342.446 4.442 20 30 EIEDRO C[NH+](C)CCc1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)cc1 ZINC000593953673 1038226724 /nfs/dbraw/zinc/22/67/24/1038226724.db2.gz PXTHUUCMYMYCDN-UHFFFAOYSA-N 1 0 334.463 4.029 20 30 EIEDRO COc1ccc2nc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)sc2c1 ZINC000594033231 1038231822 /nfs/dbraw/zinc/23/18/22/1038231822.db2.gz KYRVVSWEZPVYJB-UHFFFAOYSA-N 1 0 349.459 4.346 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)c(F)c1 ZINC000423431920 1038234354 /nfs/dbraw/zinc/23/43/54/1038234354.db2.gz IXDAAZGERVKIST-KPZWWZAWSA-N 1 0 339.414 4.233 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C3CCC3)cc2)CC1 ZINC000489777463 1038239433 /nfs/dbraw/zinc/23/94/33/1038239433.db2.gz KJTWZXKCRLDPML-UHFFFAOYSA-N 1 0 327.472 4.116 20 30 EIEDRO C=C(C)COc1cc(CNCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1OC ZINC000594053257 1038242287 /nfs/dbraw/zinc/24/22/87/1038242287.db2.gz RFKILGWLAXYJLC-QZTJIDSGSA-N 1 0 346.515 4.003 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ncccc3C(F)(F)F)CCC2)cc1 ZINC000594033641 1038247094 /nfs/dbraw/zinc/24/70/94/1038247094.db2.gz WKBNRKDRULOOOT-UHFFFAOYSA-N 1 0 331.341 4.141 20 30 EIEDRO CCC[N@H+](CCCC(C)(C)C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490031433 1038308974 /nfs/dbraw/zinc/30/89/74/1038308974.db2.gz IXIJANOCKPOKRY-QGZVFWFLSA-N 1 0 329.488 4.364 20 30 EIEDRO C=CCCCCCN(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000606917650 1038309435 /nfs/dbraw/zinc/30/94/35/1038309435.db2.gz SWBAGBKZRDPQSZ-UHFFFAOYSA-N 1 0 343.515 4.170 20 30 EIEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000594434315 1038332214 /nfs/dbraw/zinc/33/22/14/1038332214.db2.gz NJCCUIZUGSLNRX-GOSISDBHSA-N 1 0 339.464 4.188 20 30 EIEDRO N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000594433528 1038332435 /nfs/dbraw/zinc/33/24/35/1038332435.db2.gz GJNLVYOSUXZFRC-MSOLQXFVSA-N 1 0 347.890 4.099 20 30 EIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H]1CCCCN1C ZINC000592755774 1038336750 /nfs/dbraw/zinc/33/67/50/1038336750.db2.gz YCLIBTCEEXWGOZ-HXUWFJFHSA-N 1 0 349.434 4.082 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000594426920 1038339678 /nfs/dbraw/zinc/33/96/78/1038339678.db2.gz RXBOWQOBRHVWHB-INIZCTEOSA-N 1 0 339.464 4.188 20 30 EIEDRO CC(C)c1ccc([C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594426764 1038340533 /nfs/dbraw/zinc/34/05/33/1038340533.db2.gz RWYGJRMNFLFXMB-MOPGFXCFSA-N 1 0 329.488 4.035 20 30 EIEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1Sc1ccccc1 ZINC000594426935 1038341214 /nfs/dbraw/zinc/34/12/14/1038341214.db2.gz RXBOWQOBRHVWHB-MRXNPFEDSA-N 1 0 339.464 4.188 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000594493452 1038343768 /nfs/dbraw/zinc/34/37/68/1038343768.db2.gz PEMKEEPNNSWBGQ-LJQANCHMSA-N 1 0 337.467 4.007 20 30 EIEDRO COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCC2 ZINC000594496813 1038345227 /nfs/dbraw/zinc/34/52/27/1038345227.db2.gz WNWUOHPTIMBBOP-JLTOFOAXSA-N 1 0 334.419 4.073 20 30 EIEDRO CCCCOc1ncccc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594496348 1038345385 /nfs/dbraw/zinc/34/53/85/1038345385.db2.gz KSATZIJZQSMHLV-UHFFFAOYSA-N 1 0 337.467 4.351 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000594496161 1038346519 /nfs/dbraw/zinc/34/65/19/1038346519.db2.gz IQWVPNYSQJVPIU-UHFFFAOYSA-N 1 0 333.479 4.246 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000594502152 1038348815 /nfs/dbraw/zinc/34/88/15/1038348815.db2.gz XVWOFNMLKQQEID-UWJYYQICSA-N 1 0 335.495 4.269 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000594498423 1038348913 /nfs/dbraw/zinc/34/89/13/1038348913.db2.gz PNYCVKDKNJESJF-QGZVFWFLSA-N 1 0 326.827 4.364 20 30 EIEDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594501196 1038349844 /nfs/dbraw/zinc/34/98/44/1038349844.db2.gz SSMQIEPEAXFEIL-FOIQADDNSA-N 1 0 340.442 4.493 20 30 EIEDRO COc1cc2c(cc1C[NH2+]C1(c3ccc(C#N)cc3)CCC1)O[C@@H](C)C2 ZINC000594521902 1038360262 /nfs/dbraw/zinc/36/02/62/1038360262.db2.gz VMGOEPKGFGELJS-HNNXBMFYSA-N 1 0 348.446 4.059 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3ccc(OCC(F)F)cc3)CCC2)cc1 ZINC000594521185 1038360722 /nfs/dbraw/zinc/36/07/22/1038360722.db2.gz SINXZCBDUZXBGA-UHFFFAOYSA-N 1 0 342.389 4.371 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@H]3CCCO[C@@H]3c3ccccc3)cc2)CC1 ZINC000594918670 1038424235 /nfs/dbraw/zinc/42/42/35/1038424235.db2.gz RJARSSKUPRUPPY-IFMALSPDSA-N 1 0 346.474 4.499 20 30 EIEDRO COc1ccccc1C1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594927561 1038429624 /nfs/dbraw/zinc/42/96/24/1038429624.db2.gz SMUUVIDNEOXJGA-UHFFFAOYSA-N 1 0 332.447 4.072 20 30 EIEDRO N#CCCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1F ZINC000594922927 1038430682 /nfs/dbraw/zinc/43/06/82/1038430682.db2.gz VYKWUVQINIFGBU-UHFFFAOYSA-N 1 0 330.378 4.327 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOCC1 ZINC000594977537 1038487180 /nfs/dbraw/zinc/48/71/80/1038487180.db2.gz SVGKAJYIAHAXJN-UHFFFAOYSA-N 1 0 342.395 4.070 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594935440 1038489763 /nfs/dbraw/zinc/48/97/63/1038489763.db2.gz PGLSIVMGNHOKJS-QRWLVFNGSA-N 1 0 338.426 4.247 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H](C[C@H]3CCOC3)c3ccccc3)cc2)CC1 ZINC000594933920 1038491924 /nfs/dbraw/zinc/49/19/24/1038491924.db2.gz ARJFGJDXDVSUFV-KNQAVFIVSA-N 1 0 346.474 4.499 20 30 EIEDRO C=CC[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccccc1 ZINC000059375167 1038499288 /nfs/dbraw/zinc/49/92/88/1038499288.db2.gz KDVSXOSINJPSAI-UHFFFAOYSA-N 1 0 339.464 4.419 20 30 EIEDRO C[NH+](C)[C@@H]1CCOc2c(NCc3ccc(C4(C#N)CC4)cc3)cccc21 ZINC000594939523 1038501214 /nfs/dbraw/zinc/50/12/14/1038501214.db2.gz RQLZCIAGCIZAAK-HXUWFJFHSA-N 1 0 347.462 4.239 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000594941207 1038509654 /nfs/dbraw/zinc/50/96/54/1038509654.db2.gz QXKNOAFIBJKNGD-UHFFFAOYSA-N 1 0 335.407 4.175 20 30 EIEDRO CN1CCC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2ccccc21 ZINC000594952230 1038512275 /nfs/dbraw/zinc/51/22/75/1038512275.db2.gz DSOLTDQNMUEZSV-HXUWFJFHSA-N 1 0 331.463 4.303 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(F)c1OC(F)F ZINC000594951559 1038521604 /nfs/dbraw/zinc/52/16/04/1038521604.db2.gz VHEDVGRPSNTEOT-QGZVFWFLSA-N 1 0 346.352 4.466 20 30 EIEDRO C=CCCSCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000594968510 1038555070 /nfs/dbraw/zinc/55/50/70/1038555070.db2.gz QEVZJPWBDMEXMN-IBGZPJMESA-N 1 0 330.541 4.083 20 30 EIEDRO C=CCCSCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000594968511 1038562023 /nfs/dbraw/zinc/56/20/23/1038562023.db2.gz QEVZJPWBDMEXMN-LJQANCHMSA-N 1 0 330.541 4.083 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000424172291 1038725677 /nfs/dbraw/zinc/72/56/77/1038725677.db2.gz LMRCGKISKIEMIX-YOEHRIQHSA-N 1 0 333.378 4.122 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000424187795 1038730974 /nfs/dbraw/zinc/73/09/74/1038730974.db2.gz BJJZDIKQNRJBGB-NWDGAFQWSA-N 1 0 345.786 4.290 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000424293120 1038772823 /nfs/dbraw/zinc/77/28/23/1038772823.db2.gz IAXUPJXJLSCVSI-HUBLWGQQSA-N 1 0 342.302 4.142 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000424299693 1038773600 /nfs/dbraw/zinc/77/36/00/1038773600.db2.gz VZIAAWCMBYRCOW-SUNKGSAMSA-N 1 0 331.790 4.183 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000424298448 1038774091 /nfs/dbraw/zinc/77/40/91/1038774091.db2.gz SITGYXQBWYRUQB-NJAFHUGGSA-N 1 0 333.472 4.116 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(OC(C)C)cc1 ZINC000424298526 1038774391 /nfs/dbraw/zinc/77/43/91/1038774391.db2.gz SOMSGCOEAWVMLD-NRDMVMEKSA-N 1 0 329.484 4.291 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000424297300 1038774471 /nfs/dbraw/zinc/77/44/71/1038774471.db2.gz QCQUMRFJDNDREU-JLSDUUJJSA-N 1 0 342.508 4.284 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000424300898 1038777571 /nfs/dbraw/zinc/77/75/71/1038777571.db2.gz YRXZRVDRAGLXTC-KNPMLCFXSA-N 1 0 336.273 4.178 20 30 EIEDRO COC(=O)CC1CC([NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC000424282594 1038795473 /nfs/dbraw/zinc/79/54/73/1038795473.db2.gz QSFCPJUDRNOXIC-NNDYNSRJSA-N 1 0 348.446 4.218 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424315651 1038800636 /nfs/dbraw/zinc/80/06/36/1038800636.db2.gz PQOXAEUONNSEHE-LJQANCHMSA-N 1 0 341.524 4.057 20 30 EIEDRO C=CC[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000667195707 1038804478 /nfs/dbraw/zinc/80/44/78/1038804478.db2.gz DPPHATFVHQJBPR-KXBFYZLASA-N 1 0 327.472 4.056 20 30 EIEDRO Cc1ccc2c(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)cc(=O)oc2c1 ZINC000063751186 1038806013 /nfs/dbraw/zinc/80/60/13/1038806013.db2.gz KIBDRGVGBODQLX-UHFFFAOYSA-N 1 0 346.430 4.384 20 30 EIEDRO C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000461901663 1038806131 /nfs/dbraw/zinc/80/61/31/1038806131.db2.gz VRCZSEFSTARLQJ-KRWDZBQOSA-N 1 0 347.462 4.286 20 30 EIEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000924751491 1038852185 /nfs/dbraw/zinc/85/21/85/1038852185.db2.gz LBTXLZNTMFCDTP-HNNXBMFYSA-N 1 0 334.891 4.306 20 30 EIEDRO C=C[C@@H](CC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)c1ccccc1 ZINC000119259674 1038873464 /nfs/dbraw/zinc/87/34/64/1038873464.db2.gz RNMPDLUUKJOPJD-HKUYNNGSSA-N 1 0 340.467 4.139 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000539198884 1038875614 /nfs/dbraw/zinc/87/56/14/1038875614.db2.gz WHRKCDHENPJOCF-QGZVFWFLSA-N 1 0 346.490 4.207 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000505016776 1038887357 /nfs/dbraw/zinc/88/73/57/1038887357.db2.gz LWYBZUWPVCUTLH-UHFFFAOYSA-N 1 0 329.488 4.239 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000505022839 1038892923 /nfs/dbraw/zinc/89/29/23/1038892923.db2.gz HTYHMHMXMGREBR-UHFFFAOYSA-N 1 0 341.499 4.287 20 30 EIEDRO CC[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000539252508 1038895406 /nfs/dbraw/zinc/89/54/06/1038895406.db2.gz LFTGORZICHEMRB-QGZVFWFLSA-N 1 0 346.377 4.279 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000608780285 1038896915 /nfs/dbraw/zinc/89/69/15/1038896915.db2.gz VZQPAIRVRRODGD-UHFFFAOYSA-N 1 0 349.409 4.417 20 30 EIEDRO CC(C)(C)c1ccc(N2CCC([NH2+]Cc3ccc(C#N)o3)CC2)cc1 ZINC000174299323 1038897133 /nfs/dbraw/zinc/89/71/33/1038897133.db2.gz IXGMOEJTDDYOTB-UHFFFAOYSA-N 1 0 337.467 4.207 20 30 EIEDRO N#CCCCC[NH2+]C(Cc1ccccc1F)Cc1ccccc1F ZINC000462109548 1038907613 /nfs/dbraw/zinc/90/76/13/1038907613.db2.gz LGIQCHQTLGVCLP-UHFFFAOYSA-N 1 0 328.406 4.402 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539296628 1038947157 /nfs/dbraw/zinc/94/71/57/1038947157.db2.gz CLQJRVADMOGCHG-WMZOPIPTSA-N 1 0 343.442 4.240 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000505052890 1038951706 /nfs/dbraw/zinc/95/17/06/1038951706.db2.gz ZNZZWYXTEQAUIO-FQEVSTJZSA-N 1 0 349.478 4.201 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000088670189 1038977875 /nfs/dbraw/zinc/97/78/75/1038977875.db2.gz GEHXGIOVNWFGLO-NRFANRHFSA-N 1 0 347.462 4.452 20 30 EIEDRO CC(C)c1ccc(CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000552040317 1039060303 /nfs/dbraw/zinc/06/03/03/1039060303.db2.gz YRVTWJBAOSUWLB-UHFFFAOYSA-N 1 0 347.506 4.483 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccco1 ZINC000552049173 1039072115 /nfs/dbraw/zinc/07/21/15/1039072115.db2.gz NYUHIGCWZSWVAK-RHSMWYFYSA-N 1 0 332.394 4.434 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccco1 ZINC000552049172 1039073793 /nfs/dbraw/zinc/07/37/93/1039073793.db2.gz NYUHIGCWZSWVAK-PBHICJAKSA-N 1 0 332.394 4.434 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)c1ccco1 ZINC000552063149 1039086595 /nfs/dbraw/zinc/08/65/95/1039086595.db2.gz QGFPXAKIYADPRI-CQSZACIVSA-N 1 0 340.345 4.369 20 30 EIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000481198789 1039128832 /nfs/dbraw/zinc/12/88/32/1039128832.db2.gz CLWICJVVTJQRMN-MOPGFXCFSA-N 1 0 341.499 4.109 20 30 EIEDRO C=CCCSc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 ZINC000128535448 1039194667 /nfs/dbraw/zinc/19/46/67/1039194667.db2.gz UUWICSCVCZSFKP-GFCCVEGCSA-N 1 0 336.892 4.212 20 30 EIEDRO COCCOc1ccc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1 ZINC000090665241 1039267774 /nfs/dbraw/zinc/26/77/74/1039267774.db2.gz XEYIEBSLTZQILE-UWJYYQICSA-N 1 0 338.451 4.407 20 30 EIEDRO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000090665448 1039268887 /nfs/dbraw/zinc/26/88/87/1039268887.db2.gz SSNNGTBONAVQLL-COPCDDAFSA-N 1 0 333.479 4.457 20 30 EIEDRO N#Cc1csc(C[NH2+]CCC(c2ccccc2)c2ccccc2)n1 ZINC000557536809 1039354393 /nfs/dbraw/zinc/35/43/93/1039354393.db2.gz BIIXZOFYLPIVSG-UHFFFAOYSA-N 1 0 333.460 4.327 20 30 EIEDRO Cc1ccc([C@@H](C)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)cc1 ZINC000600181233 1039358856 /nfs/dbraw/zinc/35/88/56/1039358856.db2.gz RCOFNOKUNVEFRR-SFHVURJKSA-N 1 0 334.463 4.266 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000481391690 1039375581 /nfs/dbraw/zinc/37/55/81/1039375581.db2.gz MREFBHNSOFPEEC-IFXJQAMLSA-N 1 0 331.818 4.196 20 30 EIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1cccs1)Cc1cccc(C#N)c1 ZINC000092504340 1039558962 /nfs/dbraw/zinc/55/89/62/1039558962.db2.gz PAAOZRPNUXLQII-UHFFFAOYSA-N 1 0 334.448 4.198 20 30 EIEDRO C=C(C)[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000481593823 1039608869 /nfs/dbraw/zinc/60/88/69/1039608869.db2.gz FUMOCBHQXDAABJ-FXAWDEMLSA-N 1 0 331.406 4.165 20 30 EIEDRO C=CCOCC[NH2+]C1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000555773490 1039614592 /nfs/dbraw/zinc/61/45/92/1039614592.db2.gz QTNWJSOXVXAPAV-UHFFFAOYSA-N 1 0 346.471 4.429 20 30 EIEDRO CCCO[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093317033 1039663672 /nfs/dbraw/zinc/66/36/72/1039663672.db2.gz RROBJQMOYOSHPH-LJQANCHMSA-N 1 0 330.472 4.150 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCc1ccc2c(c1)CCO2 ZINC000481660107 1039711136 /nfs/dbraw/zinc/71/11/36/1039711136.db2.gz RSXGRQKCDZHVAH-OAQYLSRUSA-N 1 0 332.447 4.093 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCc1ccc2c(c1)CCO2 ZINC000481660106 1039712371 /nfs/dbraw/zinc/71/23/71/1039712371.db2.gz RSXGRQKCDZHVAH-NRFANRHFSA-N 1 0 332.447 4.093 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1F ZINC000478379487 1039727411 /nfs/dbraw/zinc/72/74/11/1039727411.db2.gz AERAWSFARLLIEB-OAHLLOKOSA-N 1 0 348.425 4.257 20 30 EIEDRO C[C@H](C#N)C(=O)Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000425123370 1039780405 /nfs/dbraw/zinc/78/04/05/1039780405.db2.gz DHAUGODTLLKUFL-QGZVFWFLSA-N 1 0 347.462 4.164 20 30 EIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000514232916 1039787943 /nfs/dbraw/zinc/78/79/43/1039787943.db2.gz SEWYFEMTVMVLQM-KZULUSFZSA-N 1 0 332.806 4.389 20 30 EIEDRO CC[C@@H](C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000481730775 1039794682 /nfs/dbraw/zinc/79/46/82/1039794682.db2.gz DHGGJDPMMCLOEY-ROUUACIJSA-N 1 0 349.478 4.401 20 30 EIEDRO CCOC1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCC1 ZINC000550882220 1039810328 /nfs/dbraw/zinc/81/03/28/1039810328.db2.gz KSFFEDDHCZSYAU-UHFFFAOYSA-N 1 0 326.484 4.329 20 30 EIEDRO C=CCC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000478560400 1039826478 /nfs/dbraw/zinc/82/64/78/1039826478.db2.gz LRYGVECBLDHLRS-PMACEKPBSA-N 1 0 340.511 4.102 20 30 EIEDRO C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000478560405 1039827216 /nfs/dbraw/zinc/82/72/16/1039827216.db2.gz LRYGVECBLDHLRS-WOJBJXKFSA-N 1 0 340.511 4.102 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000481915668 1039893849 /nfs/dbraw/zinc/89/38/49/1039893849.db2.gz CTJXKOGZBKNSBE-OAHLLOKOSA-N 1 0 340.433 4.267 20 30 EIEDRO C=CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000551050069 1039917881 /nfs/dbraw/zinc/91/78/81/1039917881.db2.gz DGPFSUUOJHTRCP-NHCUHLMSSA-N 1 0 336.479 4.177 20 30 EIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2c(Cl)cccc2C#N)CC1 ZINC000425243983 1039926629 /nfs/dbraw/zinc/92/66/29/1039926629.db2.gz UVKLPOHXMXHVDO-AWEZNQCLSA-N 1 0 340.858 4.244 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000505584180 1039961422 /nfs/dbraw/zinc/96/14/22/1039961422.db2.gz DRSUZUROBOJXOT-UHFFFAOYSA-N 1 0 341.842 4.306 20 30 EIEDRO C=C[C@](C)(CC)C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482057492 1039987638 /nfs/dbraw/zinc/98/76/38/1039987638.db2.gz ZAJRCRREWBWHGB-OAQYLSRUSA-N 1 0 343.515 4.066 20 30 EIEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000138814209 1039990382 /nfs/dbraw/zinc/99/03/82/1039990382.db2.gz YYEGWRCOHDCOIT-QGZVFWFLSA-N 1 0 349.478 4.003 20 30 EIEDRO Cc1cc(NCCCCC#N)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001168427246 1040006188 /nfs/dbraw/zinc/00/61/88/1040006188.db2.gz HMWCIZWPDGBMGK-UHFFFAOYSA-N 1 0 334.467 4.054 20 30 EIEDRO CC#CCC[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000482161175 1040049473 /nfs/dbraw/zinc/04/94/73/1040049473.db2.gz CVVSWHLBJADUDH-LLVKDONJSA-N 1 0 346.780 4.079 20 30 EIEDRO C=CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000514652377 1040083737 /nfs/dbraw/zinc/08/37/37/1040083737.db2.gz XROPWYVLOLUKPI-UHFFFAOYSA-N 1 0 332.451 4.049 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159634894 1040121047 /nfs/dbraw/zinc/12/10/47/1040121047.db2.gz QAPLWASJIQQZRI-UHFFFAOYSA-N 1 0 334.548 4.339 20 30 EIEDRO C[NH+](C)Cc1ccc(-c2noc(C[C@@H](CC#N)c3ccccc3)n2)cc1 ZINC000514755447 1040205172 /nfs/dbraw/zinc/20/51/72/1040205172.db2.gz KBKBGZAZBAFEHR-LJQANCHMSA-N 1 0 346.434 4.038 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc(CC#N)cc2)cc1 ZINC000535353903 1040214430 /nfs/dbraw/zinc/21/44/30/1040214430.db2.gz HHGNTMFSJLWSDE-QGZVFWFLSA-N 1 0 347.462 4.379 20 30 EIEDRO C=C[C@@H](CC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000535365047 1040221472 /nfs/dbraw/zinc/22/14/72/1040221472.db2.gz ZWAHHOWGJSUHEO-MOPGFXCFSA-N 1 0 328.500 4.117 20 30 EIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000514801699 1040246541 /nfs/dbraw/zinc/24/65/41/1040246541.db2.gz YIVPHMANSIRVFF-KGLIPLIRSA-N 1 0 338.282 4.198 20 30 EIEDRO CCCOc1ccc(OCC[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000551406265 1040267836 /nfs/dbraw/zinc/26/78/36/1040267836.db2.gz LBVUDEHUXIUINH-UHFFFAOYSA-N 1 0 336.435 4.005 20 30 EIEDRO C=C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000535439879 1040272382 /nfs/dbraw/zinc/27/23/82/1040272382.db2.gz IXCGNLWLTCWDNB-IRLDBZIGSA-N 1 0 348.490 4.079 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N(CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000435337098 1040291863 /nfs/dbraw/zinc/29/18/63/1040291863.db2.gz SFWYVWYWCIDXJZ-INIZCTEOSA-N 1 0 345.874 4.168 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)s1 ZINC000425352023 1040303688 /nfs/dbraw/zinc/30/36/88/1040303688.db2.gz OHAJVAWHRNOVKB-UHFFFAOYSA-N 1 0 343.521 4.335 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551449216 1040304677 /nfs/dbraw/zinc/30/46/77/1040304677.db2.gz JUPDUQUCJOIALE-UHFFFAOYSA-N 1 0 335.442 4.197 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1OC ZINC000482508994 1040308656 /nfs/dbraw/zinc/30/86/56/1040308656.db2.gz LFPMXVQCDXZXPQ-ZFWWWQNUSA-N 1 0 343.389 4.423 20 30 EIEDRO C[C@H](C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)Oc1ccc(Cl)cc1 ZINC000174644025 1040369058 /nfs/dbraw/zinc/36/90/58/1040369058.db2.gz XCPUNWZCYYEXIQ-LSDHHAIUSA-N 1 0 344.842 4.188 20 30 EIEDRO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000479469027 1040396317 /nfs/dbraw/zinc/39/63/17/1040396317.db2.gz VFJCIMHSXGDRSR-VQIMIIECSA-N 1 0 340.442 4.386 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](CCC(C)C)c2ccc(OC)cc2)CC1 ZINC000482629751 1040398148 /nfs/dbraw/zinc/39/81/48/1040398148.db2.gz OSJJENCHFMUQQR-NRFANRHFSA-N 1 0 330.516 4.413 20 30 EIEDRO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000482639518 1040403320 /nfs/dbraw/zinc/40/33/20/1040403320.db2.gz GHUCYKKPRDIYNO-OAHLLOKOSA-N 1 0 336.907 4.430 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(-c3ccncc3)cc2)CC1 ZINC000482637605 1040409703 /nfs/dbraw/zinc/40/97/03/1040409703.db2.gz BUCZZFXQGUDCKW-GOSISDBHSA-N 1 0 335.495 4.440 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)s2)ccc1OC(C)C ZINC000539413899 1040426437 /nfs/dbraw/zinc/42/64/37/1040426437.db2.gz FNHMKCTVNYSMOV-ZDUSSCGKSA-N 1 0 330.453 4.266 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C#N)s1)c1ccccc1Cl ZINC000539418766 1040430074 /nfs/dbraw/zinc/43/00/74/1040430074.db2.gz LMZRDBRRKNFLEJ-SFHVURJKSA-N 1 0 347.915 4.446 20 30 EIEDRO C[C@@H](O)C[N@H+](Cc1ccc(C#N)s1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000442964075 1040452174 /nfs/dbraw/zinc/45/21/74/1040452174.db2.gz NPSQIBDVIBIIMO-ZIAGYGMSSA-N 1 0 348.899 4.087 20 30 EIEDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000179395143 1040464022 /nfs/dbraw/zinc/46/40/22/1040464022.db2.gz WNEOBTKCTPEQDS-VGOFRKELSA-N 1 0 333.479 4.450 20 30 EIEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)o1)Oc1cccc(C(F)(F)F)c1 ZINC000539511200 1040506322 /nfs/dbraw/zinc/50/63/22/1040506322.db2.gz BYDJBZVTFIDYQH-CYBMUJFWSA-N 1 0 338.329 4.117 20 30 EIEDRO Cc1cccc2[nH]c(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)nc21 ZINC000539520902 1040506578 /nfs/dbraw/zinc/50/65/78/1040506578.db2.gz WYQKIOOWMJXELB-UHFFFAOYSA-N 1 0 344.462 4.365 20 30 EIEDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)Nc1ccccc1 ZINC000539607521 1040604124 /nfs/dbraw/zinc/60/41/24/1040604124.db2.gz LFNZCMVHJGUFLY-QRWLVFNGSA-N 1 0 325.431 4.485 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)c(F)c1 ZINC000539607375 1040604679 /nfs/dbraw/zinc/60/46/79/1040604679.db2.gz LEHVDUFCHGQIDO-DYVFJYSZSA-N 1 0 343.833 4.280 20 30 EIEDRO CCC[N@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)cc1 ZINC000483144836 1040735516 /nfs/dbraw/zinc/73/55/16/1040735516.db2.gz NVMHZQSGZMTVIZ-UHFFFAOYSA-N 1 0 333.229 4.326 20 30 EIEDRO Cc1c(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000477718267 1040737442 /nfs/dbraw/zinc/73/74/42/1040737442.db2.gz LNNQRQOAHLFPOT-UHFFFAOYSA-N 1 0 349.434 4.397 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)c1ccc(C#N)cc1Cl ZINC000554085509 1040791504 /nfs/dbraw/zinc/79/15/04/1040791504.db2.gz KSROHSMLHVMJRP-JSGCOSHPSA-N 1 0 349.261 4.292 20 30 EIEDRO Cn1cc(C[N@H+](CCc2cccc(F)c2)C2CCCC2)cc1C#N ZINC000483262213 1040799134 /nfs/dbraw/zinc/79/91/34/1040799134.db2.gz PJRQTEOMSFGXOE-UHFFFAOYSA-N 1 0 325.431 4.023 20 30 EIEDRO Cn1cc(C[N@@H+]2CCCCC[C@H]2/C=C/c2cccs2)cc1C#N ZINC000483307339 1040812322 /nfs/dbraw/zinc/81/23/22/1040812322.db2.gz HDGIVWBKUFNENP-IJDCCNJMSA-N 1 0 325.481 4.416 20 30 EIEDRO C=CCCC1(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CC1 ZINC000483431332 1040842930 /nfs/dbraw/zinc/84/29/30/1040842930.db2.gz BEZZZUGQFJNQPF-UHFFFAOYSA-N 1 0 344.524 4.229 20 30 EIEDRO C=CCN(C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000537912098 1040889995 /nfs/dbraw/zinc/88/99/95/1040889995.db2.gz SVODKARMMQUMLB-QGZVFWFLSA-N 1 0 341.499 4.010 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](OC)c2cccc(Cl)c2)cc1 ZINC000462758090 1040905776 /nfs/dbraw/zinc/90/57/76/1040905776.db2.gz TUKDDHOAALRGSJ-LJQANCHMSA-N 1 0 331.843 4.382 20 30 EIEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000483614864 1040911855 /nfs/dbraw/zinc/91/18/55/1040911855.db2.gz OSIFDESOZHANKI-HNNXBMFYSA-N 1 0 347.380 4.326 20 30 EIEDRO N#Cc1ccc(OCC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000462770330 1040924307 /nfs/dbraw/zinc/92/43/07/1040924307.db2.gz VIASLSJIBISTDL-UHFFFAOYSA-N 1 0 336.366 4.126 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000483703945 1040967191 /nfs/dbraw/zinc/96/71/91/1040967191.db2.gz YOSMZYSEUHWRGB-ICSRJNTNSA-N 1 0 342.389 4.189 20 30 EIEDRO COc1ccccc1C[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000537967769 1040969101 /nfs/dbraw/zinc/96/91/01/1040969101.db2.gz ZIYXPRKVWQYLJP-INIZCTEOSA-N 1 0 340.492 4.021 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000436289492 1041051722 /nfs/dbraw/zinc/05/17/22/1041051722.db2.gz XMQJFEIAEYPMTE-NOLJZWGESA-N 1 0 329.362 4.217 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000436288895 1041054289 /nfs/dbraw/zinc/05/42/89/1041054289.db2.gz LOIQUDAHPRTODV-HFTRVMKXSA-N 1 0 328.481 4.442 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)ccc1SC ZINC000926966984 1041058435 /nfs/dbraw/zinc/05/84/35/1041058435.db2.gz PLWWJCGWGZZFKC-AWEZNQCLSA-N 1 0 326.465 4.448 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000436293209 1041059768 /nfs/dbraw/zinc/05/97/68/1041059768.db2.gz DEGMROANPFBMOZ-KMFMINBZSA-N 1 0 343.389 4.260 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc2ccccc21 ZINC000538141262 1041073881 /nfs/dbraw/zinc/07/38/81/1041073881.db2.gz HPCIMFQTKMQTSM-MRXNPFEDSA-N 1 0 343.430 4.391 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000462910436 1041091212 /nfs/dbraw/zinc/09/12/12/1041091212.db2.gz QWWLZCVHEGDPTO-KRWDZBQOSA-N 1 0 340.442 4.007 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000436309368 1041096155 /nfs/dbraw/zinc/09/61/55/1041096155.db2.gz ORMPERBDGWBNBD-IGGJEDBVSA-N 1 0 347.474 4.431 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)cc1 ZINC000484080903 1041113156 /nfs/dbraw/zinc/11/31/56/1041113156.db2.gz NEFGHYNUVBCTTL-AWEZNQCLSA-N 1 0 344.455 4.287 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000540149506 1041193745 /nfs/dbraw/zinc/19/37/45/1041193745.db2.gz QKQKKDCJNBNUDK-UHFFFAOYSA-N 1 0 349.434 4.131 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000538289106 1041225329 /nfs/dbraw/zinc/22/53/29/1041225329.db2.gz CPPSLXKJZVOHBI-XYJFISCASA-N 1 0 349.544 4.175 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2cc(C#N)n(C)c2)c2ccc(C)cc2)cc1 ZINC000480358203 1041243218 /nfs/dbraw/zinc/24/32/18/1041243218.db2.gz PZNHIKTZFDVYHR-QFIPXVFZSA-N 1 0 345.446 4.093 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425553309 1041251035 /nfs/dbraw/zinc/25/10/35/1041251035.db2.gz MCXUMIZCIJXXAC-HXUWFJFHSA-N 1 0 338.495 4.269 20 30 EIEDRO C[NH+](C)CC[C@H](c1ccc(NCCCCC#N)cc1)c1ccccn1 ZINC001168433660 1041265298 /nfs/dbraw/zinc/26/52/98/1041265298.db2.gz GPTMTTSZGHRAGQ-HXUWFJFHSA-N 1 0 336.483 4.271 20 30 EIEDRO CC1(C#N)CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000506052472 1041300273 /nfs/dbraw/zinc/30/02/73/1041300273.db2.gz UCVGUQWGQIPUFI-UHFFFAOYSA-N 1 0 340.389 4.490 20 30 EIEDRO CCC[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000538391896 1041307370 /nfs/dbraw/zinc/30/73/70/1041307370.db2.gz AQMJHEMVCFHJNQ-INIZCTEOSA-N 1 0 333.501 4.287 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(F)cc2F)ccc1OC ZINC000538396518 1041316190 /nfs/dbraw/zinc/31/61/90/1041316190.db2.gz YWCZBWPMNRSISG-UHFFFAOYSA-N 1 0 333.378 4.218 20 30 EIEDRO CC[C@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](CC)CN1CCC(C)(C)C#N ZINC000538468101 1041370999 /nfs/dbraw/zinc/37/09/99/1041370999.db2.gz SRYABQCJFHZVEX-ROUUACIJSA-N 1 0 332.536 4.041 20 30 EIEDRO CC[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](CC)CN1CCC(C)(C)C#N ZINC000538468095 1041371024 /nfs/dbraw/zinc/37/10/24/1041371024.db2.gz SRYABQCJFHZVEX-HDICACEKSA-N 1 0 332.536 4.041 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(-n2cccn2)c1 ZINC000540388669 1041423380 /nfs/dbraw/zinc/42/33/80/1041423380.db2.gz TWVCPEJRHXBMTF-INIZCTEOSA-N 1 0 335.838 4.228 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(-n2cccn2)c1 ZINC000540388672 1041424347 /nfs/dbraw/zinc/42/43/47/1041424347.db2.gz TWVCPEJRHXBMTF-MRXNPFEDSA-N 1 0 335.838 4.228 20 30 EIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000540401976 1041432128 /nfs/dbraw/zinc/43/21/28/1041432128.db2.gz QBTQUEXPOAXEBV-MRXNPFEDSA-N 1 0 334.529 4.262 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000540397096 1041440066 /nfs/dbraw/zinc/44/00/66/1041440066.db2.gz IDWOZYOZWOCHMV-RDJZCZTQSA-N 1 0 342.508 4.270 20 30 EIEDRO CC[C@H](C)[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1ccc(Cl)cc1 ZINC000540415080 1041442140 /nfs/dbraw/zinc/44/21/40/1041442140.db2.gz KYMAJFAAUWXKHG-ZOCIIQOWSA-N 1 0 349.906 4.071 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2cccc(OCc3ccccc3)c2)C1 ZINC000463242373 1041448447 /nfs/dbraw/zinc/44/84/47/1041448447.db2.gz HUCGWCAKTMAPBO-SFTDATJTSA-N 1 0 334.463 4.480 20 30 EIEDRO C[C@H](NC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCC1)c1ccccc1 ZINC000463243826 1041451558 /nfs/dbraw/zinc/45/15/58/1041451558.db2.gz UMSBRPGUYCNXNZ-NLWGTHIKSA-N 1 0 325.500 4.322 20 30 EIEDRO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc3occc3c2)CC1 ZINC000554849344 1041454330 /nfs/dbraw/zinc/45/43/30/1041454330.db2.gz UKGGVCXFJGCFBU-UHFFFAOYSA-N 1 0 331.419 4.017 20 30 EIEDRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000540433193 1041463755 /nfs/dbraw/zinc/46/37/55/1041463755.db2.gz OAASFELVRVZWHU-LJQANCHMSA-N 1 0 339.414 4.013 20 30 EIEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1 ZINC000463280246 1041469376 /nfs/dbraw/zinc/46/93/76/1041469376.db2.gz CRXFTBLMUOQBNX-XJKSGUPXSA-N 1 0 335.289 4.399 20 30 EIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000463281519 1041471321 /nfs/dbraw/zinc/47/13/21/1041471321.db2.gz KZSLWKGLBNLQCS-FRFSOERESA-N 1 0 335.289 4.442 20 30 EIEDRO C=C(C)[C@H]([NH2+][C@@H](C)Cc1cccc(OC)n1)c1ccc(F)c(F)c1 ZINC000480679685 1041476563 /nfs/dbraw/zinc/47/65/63/1041476563.db2.gz JJOSHNBREOWMJA-DJJJIMSYSA-N 1 0 332.394 4.206 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000904446296 1041488103 /nfs/dbraw/zinc/48/81/03/1041488103.db2.gz YBVIAJSACLXQGN-LAUBAEHRSA-N 1 0 341.499 4.274 20 30 EIEDRO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC001270130224 1041494132 /nfs/dbraw/zinc/49/41/32/1041494132.db2.gz FCVAQAQOWZXHCN-FQEVSTJZSA-N 1 0 340.511 4.150 20 30 EIEDRO C=CCCC[N@@H+](C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000538737865 1041512738 /nfs/dbraw/zinc/51/27/38/1041512738.db2.gz HGROVCXATIKNOG-UHFFFAOYSA-N 1 0 338.451 4.346 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)c1ccc(C#N)cc1 ZINC000540591712 1041549179 /nfs/dbraw/zinc/54/91/79/1041549179.db2.gz KRHVSLHVUROLNX-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904597687 1041549445 /nfs/dbraw/zinc/54/94/45/1041549445.db2.gz UTMJJSTVHBCLFM-UHFFFAOYSA-N 1 0 337.467 4.491 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+][C@@H]3CCC[C@@H](C4CC4)C3)CC2)nc1 ZINC000540628621 1041571548 /nfs/dbraw/zinc/57/15/48/1041571548.db2.gz VUSCMCPNDAAQDW-ADEKHHIBSA-N 1 0 339.483 4.202 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)cc1 ZINC000538879367 1041572477 /nfs/dbraw/zinc/57/24/77/1041572477.db2.gz QJOBKEWYWCJFMP-FOIQADDNSA-N 1 0 329.415 4.256 20 30 EIEDRO Cc1sc(NC(=O)C[NH2+][C@@H]2CCCCC23CCCC3)c(C#N)c1C ZINC000463451863 1041573335 /nfs/dbraw/zinc/57/33/35/1041573335.db2.gz QWKVMRYASLWVIT-MRXNPFEDSA-N 1 0 345.512 4.268 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540705549 1041605471 /nfs/dbraw/zinc/60/54/71/1041605471.db2.gz MSZRCPJICFCJSE-NQCMUKECSA-N 1 0 330.378 4.263 20 30 EIEDRO C[C@H](COc1ccc(F)cc1F)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000540707522 1041606962 /nfs/dbraw/zinc/60/69/62/1041606962.db2.gz GXECRHXHUUYMLK-VXGBXAGGSA-N 1 0 334.341 4.094 20 30 EIEDRO C[C@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540708057 1041607461 /nfs/dbraw/zinc/60/74/61/1041607461.db2.gz QBAZBBGIKPPHAA-INIZCTEOSA-N 1 0 325.431 4.265 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000437081591 1041630494 /nfs/dbraw/zinc/63/04/94/1041630494.db2.gz YFOWYRQFDCPSPS-VHBXLISGSA-N 1 0 339.483 4.202 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000437096066 1041642276 /nfs/dbraw/zinc/64/22/76/1041642276.db2.gz MMVNNNYKMLIEBC-NTFDOXNWSA-N 1 0 339.483 4.202 20 30 EIEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437108575 1041653104 /nfs/dbraw/zinc/65/31/04/1041653104.db2.gz UAXHNWTYQZWZMX-GMNCBBECSA-N 1 0 327.472 4.058 20 30 EIEDRO CC[C@@H](Cc1ccccc1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437113845 1041656470 /nfs/dbraw/zinc/65/64/70/1041656470.db2.gz XRJNLAWEYNVUAL-MWXLCCTBSA-N 1 0 349.478 4.254 20 30 EIEDRO CC[C@@H]1CCC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C1 ZINC000437102493 1041661020 /nfs/dbraw/zinc/66/10/20/1041661020.db2.gz WVUIMQVPOMKYAV-IZIZEDOESA-N 1 0 327.472 4.202 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c(C(F)(F)F)c1 ZINC000516605979 1041663518 /nfs/dbraw/zinc/66/35/18/1041663518.db2.gz ZXQHAXSTSNHXBD-SFHVURJKSA-N 1 0 346.352 4.363 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)cc1OCCCC#N ZINC000540803276 1041682173 /nfs/dbraw/zinc/68/21/73/1041682173.db2.gz SQKGROHUTLCLDI-MOPGFXCFSA-N 1 0 342.483 4.436 20 30 EIEDRO C=C(C)CN(CC)C(=O)C[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000516737836 1041722396 /nfs/dbraw/zinc/72/23/96/1041722396.db2.gz JXABKFOFCLIDJJ-INIZCTEOSA-N 1 0 328.456 4.240 20 30 EIEDRO C=CCSCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000540977026 1041760873 /nfs/dbraw/zinc/76/08/73/1041760873.db2.gz XIEOXAACFHZBNZ-CQSZACIVSA-N 1 0 330.266 4.084 20 30 EIEDRO CC1(C#N)CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000506028265 1041753625 /nfs/dbraw/zinc/75/36/25/1041753625.db2.gz RLLKPKHIQHJJDN-RQOWECAXSA-N 1 0 333.273 4.478 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC000443447100 1041780559 /nfs/dbraw/zinc/78/05/59/1041780559.db2.gz VXKQHGCQBKTVPN-UHFFFAOYSA-N 1 0 348.494 4.178 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)c(OC(F)F)c1 ZINC000437407628 1041790566 /nfs/dbraw/zinc/79/05/66/1041790566.db2.gz HLJMPPHSOQNADW-KRWDZBQOSA-N 1 0 328.362 4.497 20 30 EIEDRO N#Cc1ccc(CN2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)nc1 ZINC000516875606 1041792162 /nfs/dbraw/zinc/79/21/62/1041792162.db2.gz SCACLVHSSZQRER-QGZVFWFLSA-N 1 0 349.331 4.043 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c(OC(F)F)c1 ZINC000437495978 1041822092 /nfs/dbraw/zinc/82/20/92/1041822092.db2.gz LGWJDWAZZJOQND-GDBMZVCRSA-N 1 0 338.423 4.020 20 30 EIEDRO CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000541348529 1041899255 /nfs/dbraw/zinc/89/92/55/1041899255.db2.gz QIBVSGZNJZAJIH-OALUTQOASA-N 1 0 342.483 4.270 20 30 EIEDRO Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000517338120 1041962708 /nfs/dbraw/zinc/96/27/08/1041962708.db2.gz HNRXXHNGKGQPFM-NRFANRHFSA-N 1 0 342.446 4.424 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000517338039 1041963058 /nfs/dbraw/zinc/96/30/58/1041963058.db2.gz BHYWPTFBSVMUJW-SFHVURJKSA-N 1 0 334.448 4.177 20 30 EIEDRO CCc1ccc([C@H]([NH2+]CCCCC#N)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543275 1041992277 /nfs/dbraw/zinc/99/22/77/1041992277.db2.gz KMMISACHOLNLCW-GOSISDBHSA-N 1 0 327.384 4.123 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000464435948 1042004640 /nfs/dbraw/zinc/00/46/40/1042004640.db2.gz BFCGOQGNNXZMIC-ZWKOTPCHSA-N 1 0 328.500 4.280 20 30 EIEDRO CC[NH+](CC)CCCC1CCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000541579362 1042014927 /nfs/dbraw/zinc/01/49/27/1042014927.db2.gz WZZKGUROONKZLC-UHFFFAOYSA-N 1 0 341.499 4.099 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000464564998 1042065011 /nfs/dbraw/zinc/06/50/11/1042065011.db2.gz ZPSDZDPBECREEL-SJORKVTESA-N 1 0 334.529 4.240 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(C#N)cc1 ZINC000541847601 1042136818 /nfs/dbraw/zinc/13/68/18/1042136818.db2.gz FAMDRCIQHGOJGX-CJNGLKHVSA-N 1 0 343.833 4.280 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000925031237 1042136809 /nfs/dbraw/zinc/13/68/09/1042136809.db2.gz YNVGIBSXPXZUJT-MRXNPFEDSA-N 1 0 325.456 4.099 20 30 EIEDRO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000464757641 1042151576 /nfs/dbraw/zinc/15/15/76/1042151576.db2.gz NRGGSOGCMMMAFM-MRXNPFEDSA-N 1 0 326.440 4.312 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000541904625 1042170556 /nfs/dbraw/zinc/17/05/56/1042170556.db2.gz DPDDJKJCVVJOEF-YJYMSZOUSA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1F ZINC000541904622 1042170711 /nfs/dbraw/zinc/17/07/11/1042170711.db2.gz DPDDJKJCVVJOEF-BFUOFWGJSA-N 1 0 345.849 4.304 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000464860506 1042205834 /nfs/dbraw/zinc/20/58/34/1042205834.db2.gz RMHRBODBPASWRS-IFMALSPDSA-N 1 0 332.447 4.226 20 30 EIEDRO C[N@H+](Cc1ccc(Br)s1)Cc1ccc(CC#N)cc1 ZINC000542212866 1042340066 /nfs/dbraw/zinc/34/00/66/1042340066.db2.gz VOJOOHGIGRSVKZ-UHFFFAOYSA-N 1 0 335.270 4.209 20 30 EIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCOCCC#N ZINC000294633420 1042385952 /nfs/dbraw/zinc/38/59/52/1042385952.db2.gz PLEWIJOYUPKGJD-LBPRGKRZSA-N 1 0 349.887 4.353 20 30 EIEDRO CC(C)(CCC#N)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000506438378 1042418106 /nfs/dbraw/zinc/41/81/06/1042418106.db2.gz INROIWIHRMVIRE-UHFFFAOYSA-N 1 0 339.405 4.157 20 30 EIEDRO Cc1ccoc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000491411813 1042443066 /nfs/dbraw/zinc/44/30/66/1042443066.db2.gz BAKZXZUUTFOZPD-UHFFFAOYSA-N 1 0 332.403 4.329 20 30 EIEDRO CCCOc1ccc(C[NH2+]CCSCc2ccccc2C#N)cc1 ZINC000518271384 1042445820 /nfs/dbraw/zinc/44/58/20/1042445820.db2.gz WJDACJHVCPPQLZ-UHFFFAOYSA-N 1 0 340.492 4.370 20 30 EIEDRO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000437883736 1042467043 /nfs/dbraw/zinc/46/70/43/1042467043.db2.gz PFCIVOGQVWIYQW-KRWDZBQOSA-N 1 0 345.393 4.350 20 30 EIEDRO C=CCC[C@H]([NH2+]CC1(c2ccc(OCC)cc2)CCOCC1)C1CC1 ZINC000439069409 1042490587 /nfs/dbraw/zinc/49/05/87/1042490587.db2.gz KJWKXSQDASGYNY-NRFANRHFSA-N 1 0 343.511 4.468 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccn2)c1)C1CC1 ZINC000439083371 1042492566 /nfs/dbraw/zinc/49/25/66/1042492566.db2.gz CGLKUFWYKLVDIT-LJQANCHMSA-N 1 0 335.451 4.168 20 30 EIEDRO Cc1ccsc1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000518450050 1042525275 /nfs/dbraw/zinc/52/52/75/1042525275.db2.gz XHOYKFACUBHGBA-UHFFFAOYSA-N 1 0 326.465 4.408 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000271960288 1042562127 /nfs/dbraw/zinc/56/21/27/1042562127.db2.gz QYWIYXFIAFHUOT-BKOMCJNNSA-N 1 0 346.352 4.156 20 30 EIEDRO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000439321829 1042588530 /nfs/dbraw/zinc/58/85/30/1042588530.db2.gz KQOLDCVAAAXAEY-HKUYNNGSSA-N 1 0 347.462 4.155 20 30 EIEDRO Clc1ccc(C#CC[NH+]2CCC(OCc3ccccc3)CC2)cc1 ZINC000426355529 1042590281 /nfs/dbraw/zinc/59/02/81/1042590281.db2.gz AWOHZILHCHGEBR-UHFFFAOYSA-N 1 0 339.866 4.373 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000439437340 1042623513 /nfs/dbraw/zinc/62/35/13/1042623513.db2.gz IBQAPMWRKHVYSK-KRWDZBQOSA-N 1 0 342.826 4.224 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1OC ZINC000439443816 1042627338 /nfs/dbraw/zinc/62/73/38/1042627338.db2.gz WSGHXLHSTCPCOJ-ZDUSSCGKSA-N 1 0 344.842 4.470 20 30 EIEDRO CC1CC[NH+](C[C@H]2CCCN(Cc3ccc(C#N)cc3Cl)C2)CC1 ZINC000439446405 1042632078 /nfs/dbraw/zinc/63/20/78/1042632078.db2.gz DOMCNNDGSYIFBM-GOSISDBHSA-N 1 0 345.918 4.156 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439448227 1042632446 /nfs/dbraw/zinc/63/24/46/1042632446.db2.gz ZVLSGUYEVKLGRT-SJLPKXTDSA-N 1 0 345.918 4.298 20 30 EIEDRO N#Cc1ccc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c(Cl)c1 ZINC000439451128 1042635482 /nfs/dbraw/zinc/63/54/82/1042635482.db2.gz LLBYIPYGNCQDCT-UHFFFAOYSA-N 1 0 348.837 4.377 20 30 EIEDRO CS[C@@H]1CCCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492566342 1042700508 /nfs/dbraw/zinc/70/05/08/1042700508.db2.gz YUAKKLXZEZAHRX-CQSZACIVSA-N 1 0 339.302 4.038 20 30 EIEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)C[C@H](C1)C2 ZINC000715093741 1042710340 /nfs/dbraw/zinc/71/03/40/1042710340.db2.gz OQCAXLPRRWSHFW-VCQUMCNSSA-N 1 0 334.504 4.014 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cc(F)cc(Br)c2)ccc1C#N ZINC000443980698 1042716363 /nfs/dbraw/zinc/71/63/63/1042716363.db2.gz RVFVRWJFAFVLQZ-UHFFFAOYSA-N 1 0 333.204 4.058 20 30 EIEDRO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)[C@H](C)C(C)C ZINC000174863832 1042717200 /nfs/dbraw/zinc/71/72/00/1042717200.db2.gz OYUZJNQKIZLDPE-MRXNPFEDSA-N 1 0 325.456 4.104 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 ZINC000130846550 1042831451 /nfs/dbraw/zinc/83/14/51/1042831451.db2.gz QXLJMHATUKGSNF-BBTUJRGHSA-N 1 0 342.527 4.362 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(Cl)c1 ZINC000322985582 1042838987 /nfs/dbraw/zinc/83/89/87/1042838987.db2.gz XFZPTLQBVRVUMU-UHOSZYNNSA-N 1 0 332.875 4.117 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@H+](CC3CC3)C3CCCCC3)o2)c1 ZINC000441502546 1042860116 /nfs/dbraw/zinc/86/01/16/1042860116.db2.gz QGWKGIQLIIGIOX-UHFFFAOYSA-N 1 0 336.439 4.153 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2CCCOc3c(Cl)cc(C)cc32)CC1 ZINC000178276367 1042862589 /nfs/dbraw/zinc/86/25/89/1042862589.db2.gz WMZJCQUFVBEWCB-GOSISDBHSA-N 1 0 334.891 4.102 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CC2(c3ccccc3)CCC2)cc1 ZINC000237203237 1042929822 /nfs/dbraw/zinc/92/98/22/1042929822.db2.gz IJMZVPRFUAECEC-UHFFFAOYSA-N 1 0 333.479 4.248 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441656891 1042962520 /nfs/dbraw/zinc/96/25/20/1042962520.db2.gz IAHNFPIJEUENME-LEWJYISDSA-N 1 0 332.447 4.084 20 30 EIEDRO CC(C)c1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCCC#N ZINC000178993139 1042978318 /nfs/dbraw/zinc/97/83/18/1042978318.db2.gz GVZBPXKMYCTFHW-UHFFFAOYSA-N 1 0 344.890 4.492 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C(C)C)cc1 ZINC000237220857 1042999420 /nfs/dbraw/zinc/99/94/20/1042999420.db2.gz BZSIDFFHNTXKCY-KKSFZXQISA-N 1 0 338.451 4.473 20 30 EIEDRO C=CCSCC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000494051047 1043008855 /nfs/dbraw/zinc/00/88/55/1043008855.db2.gz VNJMQGJNLXZCRR-SFHVURJKSA-N 1 0 328.437 4.193 20 30 EIEDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000609166841 1043024610 /nfs/dbraw/zinc/02/46/10/1043024610.db2.gz MGDGIZYTGWJAFB-LJQANCHMSA-N 1 0 349.434 4.163 20 30 EIEDRO N#CCSCCC[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429159468 1043154981 /nfs/dbraw/zinc/15/49/81/1043154981.db2.gz LZORXDVLYARLJK-OAHLLOKOSA-N 1 0 326.918 4.153 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H]1OCCc2sccc21 ZINC000429169544 1043182826 /nfs/dbraw/zinc/18/28/26/1043182826.db2.gz BEAPIEHKANFINW-FZKQIMNGSA-N 1 0 331.868 4.045 20 30 EIEDRO C=CC[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000427772510 1043194325 /nfs/dbraw/zinc/19/43/25/1043194325.db2.gz VJNAABVSXBYDPI-BWAGFHJFSA-N 1 0 348.490 4.126 20 30 EIEDRO N#CCCCC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000185639070 1043208205 /nfs/dbraw/zinc/20/82/05/1043208205.db2.gz XFXUTFOOJUQAGW-OAHLLOKOSA-N 1 0 325.225 4.419 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000280205961 1043214746 /nfs/dbraw/zinc/21/47/46/1043214746.db2.gz TVRVWMGXQUIXIU-GOSISDBHSA-N 1 0 339.435 4.046 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)C1 ZINC000185804150 1043220807 /nfs/dbraw/zinc/22/08/07/1043220807.db2.gz XZYLOZPAQXGIJO-WOJBJXKFSA-N 1 0 344.462 4.257 20 30 EIEDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1OC1CCCC1 ZINC000185824551 1043221722 /nfs/dbraw/zinc/22/17/22/1043221722.db2.gz NHCJIUORTBDOTN-WBVHZDCISA-N 1 0 328.456 4.189 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000921993778 1043274461 /nfs/dbraw/zinc/27/44/61/1043274461.db2.gz FXRSOLJSUVIEKY-CTNGQTDRSA-N 1 0 338.426 4.324 20 30 EIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCC(C)C ZINC000428064415 1043314785 /nfs/dbraw/zinc/31/47/85/1043314785.db2.gz PTNVUXPGJUQBKE-UHFFFAOYSA-N 1 0 336.549 4.021 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2(c3cccc(Br)c3)CC2)c1 ZINC000077447858 1043322247 /nfs/dbraw/zinc/32/22/47/1043322247.db2.gz JAJCJNRFOBNPBD-UHFFFAOYSA-N 1 0 327.225 4.100 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](CCCOC)c1ccc(F)cc1 ZINC000282507691 1043322145 /nfs/dbraw/zinc/32/21/45/1043322145.db2.gz YPVJDAWRMCEGLP-FQEVSTJZSA-N 1 0 341.426 4.095 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccc(F)c(F)c1 ZINC000187373880 1043345602 /nfs/dbraw/zinc/34/56/02/1043345602.db2.gz YSKRNESKUUAKPN-HXUWFJFHSA-N 1 0 347.405 4.397 20 30 EIEDRO C=C(C)[C@H]([NH2+]Cc1ccc(OCCOC)cc1)c1ccc(F)c(F)c1 ZINC000187373862 1043346635 /nfs/dbraw/zinc/34/66/35/1043346635.db2.gz YSKRNESKUUAKPN-FQEVSTJZSA-N 1 0 347.405 4.397 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(OCCCC)cc3)o2)C1 ZINC000625703151 1043360072 /nfs/dbraw/zinc/36/00/72/1043360072.db2.gz LSYYJLKJUIQBMK-MRXNPFEDSA-N 1 0 341.455 4.314 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(OC)cc3OC)n2)C1 ZINC000625702741 1043360944 /nfs/dbraw/zinc/36/09/44/1043360944.db2.gz IPJPKALSKZGFRL-CQSZACIVSA-N 1 0 344.480 4.225 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](Cc2csc(-c3ccc(OC)c(OC)c3)n2)C1 ZINC000625703306 1043361106 /nfs/dbraw/zinc/36/11/06/1043361106.db2.gz MSZDUGQSQDWWFG-AWEZNQCLSA-N 1 0 344.480 4.225 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)CC1 ZINC000729976065 1043422542 /nfs/dbraw/zinc/42/25/42/1043422542.db2.gz VRCOUFWBVBZNMH-FLIBITNWSA-N 1 0 340.511 4.154 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1csc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000730019865 1043435188 /nfs/dbraw/zinc/43/51/88/1043435188.db2.gz TYUTWUNVQGHVBF-UONOGXRCSA-N 1 0 349.459 4.451 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\Cc1ccccc1C[NH+]1CCCC1 ZINC000730550459 1043554106 /nfs/dbraw/zinc/55/41/06/1043554106.db2.gz VFIUCLOPRTZFGP-BKUYFWCQSA-N 1 0 328.843 4.261 20 30 EIEDRO N#CC1(CCC[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 ZINC000499639332 1043588465 /nfs/dbraw/zinc/58/84/65/1043588465.db2.gz AFAQUYNJXOKZIH-UXHICEINSA-N 1 0 326.484 4.403 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(F)c(COC)c2)c(O)c1 ZINC000730733157 1043594307 /nfs/dbraw/zinc/59/43/07/1043594307.db2.gz VJIPNYCTZTYGHA-LPYMAVHISA-N 1 0 344.430 4.143 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1cccc(C#N)c1)CC3 ZINC000467439027 1043645766 /nfs/dbraw/zinc/64/57/66/1043645766.db2.gz KBYPHNCEKUMESN-SFHVURJKSA-N 1 0 329.447 4.038 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1cccc(C#N)c1)CC3 ZINC000467439026 1043646582 /nfs/dbraw/zinc/64/65/82/1043646582.db2.gz KBYPHNCEKUMESN-GOSISDBHSA-N 1 0 329.447 4.038 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000658060913 1043704509 /nfs/dbraw/zinc/70/45/09/1043704509.db2.gz QPXVNNJMPPBPJH-CKEIUWERSA-N 1 0 339.476 4.015 20 30 EIEDRO N#CCOc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000731213971 1043715139 /nfs/dbraw/zinc/71/51/39/1043715139.db2.gz JWDSBTHWTOWGRQ-UHFFFAOYSA-N 1 0 346.352 4.387 20 30 EIEDRO C[C@@H]1C[C@@H](NC2(C#N)CCCCC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168014078 1043731167 /nfs/dbraw/zinc/73/11/67/1043731167.db2.gz JMRKXXWYEXVNCF-OPVJXMOQSA-N 1 0 325.500 4.244 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066898115 1043824590 /nfs/dbraw/zinc/82/45/90/1043824590.db2.gz PVKQSGIIMPQRRV-IBGZPJMESA-N 1 0 347.462 4.157 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]CCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000442770646 1043837462 /nfs/dbraw/zinc/83/74/62/1043837462.db2.gz RWZULLWANBWTOY-GOTSBHOMSA-N 1 0 347.506 4.361 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000442843767 1043855322 /nfs/dbraw/zinc/85/53/22/1043855322.db2.gz UFGMZZVOSDOJHC-NJAFHUGGSA-N 1 0 347.300 4.442 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000521595666 1043855386 /nfs/dbraw/zinc/85/53/86/1043855386.db2.gz BYSGIOSKGYGEOF-TZMCWYRMSA-N 1 0 334.460 4.093 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000442843768 1043855558 /nfs/dbraw/zinc/85/55/58/1043855558.db2.gz UFGMZZVOSDOJHC-NXHRZFHOSA-N 1 0 347.300 4.442 20 30 EIEDRO CCC(CC)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000442836666 1043861581 /nfs/dbraw/zinc/86/15/81/1043861581.db2.gz OJDKLDNMNDROAU-NVXWUHKLSA-N 1 0 330.472 4.043 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)cc1 ZINC000766072386 1043878779 /nfs/dbraw/zinc/87/87/79/1043878779.db2.gz HZKVZQYMCIMHPO-ILZDJORESA-N 1 0 329.484 4.191 20 30 EIEDRO C=CC1CC[NH+](Cc2c(C)nn(Cc3ccccc3)c2Cl)CC1 ZINC000732205866 1043887710 /nfs/dbraw/zinc/88/77/10/1043887710.db2.gz CKEFCUSPOPCGFF-UHFFFAOYSA-N 1 0 329.875 4.291 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000521828213 1043996694 /nfs/dbraw/zinc/99/66/94/1043996694.db2.gz KNYWBUCVCZLNRK-NQIIRXRSSA-N 1 0 336.479 4.177 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](c2ccccc2Cl)N(C)C)c1 ZINC000521823297 1044011838 /nfs/dbraw/zinc/01/18/38/1044011838.db2.gz UWTFKWYCFJFQGX-FQEVSTJZSA-N 1 0 344.886 4.297 20 30 EIEDRO C=CCOCCC[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000658210163 1044046229 /nfs/dbraw/zinc/04/62/29/1044046229.db2.gz OYWFURHLZFAVEE-HNNXBMFYSA-N 1 0 330.497 4.286 20 30 EIEDRO C=CCOCCC[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000658210164 1044046849 /nfs/dbraw/zinc/04/68/49/1044046849.db2.gz OYWFURHLZFAVEE-OAHLLOKOSA-N 1 0 330.497 4.286 20 30 EIEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000390708475 1044058328 /nfs/dbraw/zinc/05/83/28/1044058328.db2.gz VZMDZFPRWWYROD-IBGZPJMESA-N 1 0 339.508 4.010 20 30 EIEDRO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)N(C)C ZINC000443198127 1044088949 /nfs/dbraw/zinc/08/89/49/1044088949.db2.gz BTMOQGQHHZIGLC-QYWGDWMGSA-N 1 0 339.458 4.348 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000173849677 1044182337 /nfs/dbraw/zinc/18/23/37/1044182337.db2.gz WLEHKYYAOOVNSF-CQSZACIVSA-N 1 0 348.368 4.488 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1ccc(C#N)cc1 ZINC000173856607 1044183850 /nfs/dbraw/zinc/18/38/50/1044183850.db2.gz ILJLLHSOIXWFBM-HNNXBMFYSA-N 1 0 345.402 4.254 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC2CC2)cc1 ZINC000766110431 1044193544 /nfs/dbraw/zinc/19/35/44/1044193544.db2.gz UPMAKZNMPFTWJG-KRWDZBQOSA-N 1 0 335.447 4.338 20 30 EIEDRO CCc1ccc(C[NH2+]Cc2ccc(OC)c(O[C@H](C#N)CC)c2)s1 ZINC000733330319 1044199022 /nfs/dbraw/zinc/19/90/22/1044199022.db2.gz UHLJMCGYUZZPIS-HNNXBMFYSA-N 1 0 344.480 4.290 20 30 EIEDRO CC1CCN([C@@H](C[NH2+]CC(C)(C)CCC#N)c2cccs2)CC1 ZINC000174240064 1044238036 /nfs/dbraw/zinc/23/80/36/1044238036.db2.gz BWKSYYFZOAWXRO-KRWDZBQOSA-N 1 0 333.545 4.441 20 30 EIEDRO Cc1cccc2c(CC[NH2+]Cc3cccc(OCCCC#N)c3)c[nH]c21 ZINC000174447420 1044273590 /nfs/dbraw/zinc/27/35/90/1044273590.db2.gz ABDCFMQYFQMRLX-UHFFFAOYSA-N 1 0 347.462 4.491 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3nc4ccccc4[nH]3)CC2)C1 ZINC000733745511 1044296986 /nfs/dbraw/zinc/29/69/86/1044296986.db2.gz NTBFEEKXKIHPFT-GDBMZVCRSA-N 1 0 325.460 4.005 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1Br ZINC000081195832 1044331716 /nfs/dbraw/zinc/33/17/16/1044331716.db2.gz HFXCAQGWRONBMM-UHFFFAOYSA-N 1 0 333.204 4.058 20 30 EIEDRO CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042742032 1044344526 /nfs/dbraw/zinc/34/45/26/1044344526.db2.gz PXBMDDLWLGSMRU-MSOLQXFVSA-N 1 0 349.478 4.161 20 30 EIEDRO C=CC[C@H](CC)NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000466377975 1044344730 /nfs/dbraw/zinc/34/47/30/1044344730.db2.gz JANSBEDPSNECCQ-SFHVURJKSA-N 1 0 329.488 4.191 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)o2)cc1 ZINC000766144704 1044346512 /nfs/dbraw/zinc/34/65/12/1044346512.db2.gz XAKNVVCHSBJQTJ-WMLDXEAASA-N 1 0 335.831 4.104 20 30 EIEDRO C=CCOCCC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000348061964 1044384668 /nfs/dbraw/zinc/38/46/68/1044384668.db2.gz ZQCGEWYIXVIKDJ-UHFFFAOYSA-N 1 0 349.862 4.193 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000466399744 1044388779 /nfs/dbraw/zinc/38/87/79/1044388779.db2.gz PVGOKASIYWOGAT-OAHLLOKOSA-N 1 0 334.261 4.079 20 30 EIEDRO Cc1ccc(-c2nc(C[NH2+]CCc3cccc(C#N)c3)cs2)cc1 ZINC000466409624 1044404775 /nfs/dbraw/zinc/40/47/75/1044404775.db2.gz LWFSEPSROASRCI-UHFFFAOYSA-N 1 0 333.460 4.323 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2cnc(-c3ccsc3)s2)c1 ZINC000466420731 1044440838 /nfs/dbraw/zinc/44/08/38/1044440838.db2.gz FSINSBJYQAHHBZ-UHFFFAOYSA-N 1 0 325.462 4.076 20 30 EIEDRO C[C@H]1CCCC[C@H]1[NH+]1CCC(N=Nc2cnc3ccccc3n2)CC1 ZINC000733901048 1044454253 /nfs/dbraw/zinc/45/42/53/1044454253.db2.gz AGVMKRMJXJUNCG-HNAYVOBHSA-N 1 0 337.471 4.072 20 30 EIEDRO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2cnc3ccccc3n2)CC1 ZINC000733901049 1044469480 /nfs/dbraw/zinc/46/94/80/1044469480.db2.gz AGVMKRMJXJUNCG-KXBFYZLASA-N 1 0 337.471 4.072 20 30 EIEDRO CCC(CC)CN(CC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000734149362 1044495803 /nfs/dbraw/zinc/49/58/03/1044495803.db2.gz JEOWVLSTCXKJDA-OAHLLOKOSA-N 1 0 343.496 4.231 20 30 EIEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000766209184 1044536154 /nfs/dbraw/zinc/53/61/54/1044536154.db2.gz HWYHLHGDGLWBJV-CQSZACIVSA-N 1 0 344.842 4.011 20 30 EIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1ncccc1Cl ZINC000734365759 1044545243 /nfs/dbraw/zinc/54/52/43/1044545243.db2.gz SBASQYFSXBPCBY-AWEZNQCLSA-N 1 0 328.847 4.045 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1csc(C#N)c1)CCCC2 ZINC000922335372 1044560787 /nfs/dbraw/zinc/56/07/87/1044560787.db2.gz QZOACKRDJHNYIH-KRWDZBQOSA-N 1 0 342.464 4.194 20 30 EIEDRO C=CCn1c2ccccc2n(C[N@@H+](C)C2CCC(OC)CC2)c1=S ZINC000734475742 1044586153 /nfs/dbraw/zinc/58/61/53/1044586153.db2.gz ZGOFOINWENDFIU-UHFFFAOYSA-N 1 0 345.512 4.205 20 30 EIEDRO C=CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000495049216 1044613878 /nfs/dbraw/zinc/61/38/78/1044613878.db2.gz QZBUYRIFGKSAPV-FGZHOGPDSA-N 1 0 348.490 4.127 20 30 EIEDRO CCCOc1ccc(C(C)(C)[NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000499787081 1044630234 /nfs/dbraw/zinc/63/02/34/1044630234.db2.gz RSBLWPZMIHCIJN-UHFFFAOYSA-N 1 0 344.499 4.401 20 30 EIEDRO CCCC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)C1CCC1 ZINC000543453400 1044632944 /nfs/dbraw/zinc/63/29/44/1044632944.db2.gz LWZJGXLDJXBQFR-PXNSSMCTSA-N 1 0 341.499 4.270 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000495071286 1044638386 /nfs/dbraw/zinc/63/83/86/1044638386.db2.gz XLDQKPJHRQUTTC-BEFAXECRSA-N 1 0 347.405 4.152 20 30 EIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C(=O)N(C)C)cc1 ZINC000495081963 1044652519 /nfs/dbraw/zinc/65/25/19/1044652519.db2.gz HVIVKDFULCLZTC-UZLBHIALSA-N 1 0 335.451 4.084 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2SC)cc1C#N ZINC000783520111 1044678768 /nfs/dbraw/zinc/67/87/68/1044678768.db2.gz XSBRGNYGZUVHEO-CQSZACIVSA-N 1 0 326.465 4.010 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OC)c(OC(F)F)c1 ZINC000495109565 1044687617 /nfs/dbraw/zinc/68/76/17/1044687617.db2.gz PTJRBSNKGSZOKQ-UHFFFAOYSA-N 1 0 337.366 4.120 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000191425951 1044689763 /nfs/dbraw/zinc/68/97/63/1044689763.db2.gz SAMKSQAPBSPNLA-MRXNPFEDSA-N 1 0 331.504 4.390 20 30 EIEDRO CC(C)[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](C)c1ccccc1 ZINC000428862535 1044754586 /nfs/dbraw/zinc/75/45/86/1044754586.db2.gz VEAVNUKOYSFBTF-LJQANCHMSA-N 1 0 349.478 4.405 20 30 EIEDRO CCN(Cc1ccc(F)cc1)Cc1ccc(Br)cc1C#N ZINC001141814402 1044793228 /nfs/dbraw/zinc/79/32/28/1044793228.db2.gz BNFRWYDUYONORK-UHFFFAOYSA-N 1 0 347.231 4.482 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1cccc(OCc2ccccn2)c1 ZINC000495217821 1044794023 /nfs/dbraw/zinc/79/40/23/1044794023.db2.gz LKHBOYGQQYKYSV-UHFFFAOYSA-N 1 0 348.446 4.484 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000676563925 1044796115 /nfs/dbraw/zinc/79/61/15/1044796115.db2.gz SVDOAUUSOCXZSR-HNNXBMFYSA-N 1 0 335.325 4.019 20 30 EIEDRO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308860 1044796541 /nfs/dbraw/zinc/79/65/41/1044796541.db2.gz WMHZBBDJXDXCJK-UHFFFAOYSA-N 1 0 344.842 4.273 20 30 EIEDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)c1 ZINC000474240975 1044813671 /nfs/dbraw/zinc/81/36/71/1044813671.db2.gz SODDAMFJIITPAF-OAQYLSRUSA-N 1 0 347.462 4.341 20 30 EIEDRO CC1CC[NH+](CC(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 ZINC000761926933 1044827309 /nfs/dbraw/zinc/82/73/09/1044827309.db2.gz DLKXWMQBPZABGV-OAQYLSRUSA-N 1 0 347.462 4.012 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)o1 ZINC000093772281 1044852700 /nfs/dbraw/zinc/85/27/00/1044852700.db2.gz YJWJHXULKHEUHE-JTQLQIEISA-N 1 0 341.358 4.006 20 30 EIEDRO CC1(C)C[C@H](C[NH2+]Cc2cccc(OCCCC#N)c2)C(C)(C)O1 ZINC000922951260 1044875061 /nfs/dbraw/zinc/87/50/61/1044875061.db2.gz LXJKWXWHVZHJFO-QGZVFWFLSA-N 1 0 330.472 4.052 20 30 EIEDRO CCOc1ccc([C@@H](C)NCc2cccc(F)c2C#N)cc1OCC ZINC000428294218 1044877777 /nfs/dbraw/zinc/87/77/77/1044877777.db2.gz DYYGEDVCAPYSCF-CQSZACIVSA-N 1 0 342.414 4.346 20 30 EIEDRO CC(C)(C#N)c1ccccc1CN1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428940985 1044881368 /nfs/dbraw/zinc/88/13/68/1044881368.db2.gz STHQFXSPQOLGDP-HNNXBMFYSA-N 1 0 340.389 4.029 20 30 EIEDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000895776330 1044887021 /nfs/dbraw/zinc/88/70/21/1044887021.db2.gz CLAMFHOUSTYDAW-ASSNKEHSSA-N 1 0 340.429 4.093 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2cnc3ccccc3c2)c1 ZINC000922702938 1044893034 /nfs/dbraw/zinc/89/30/34/1044893034.db2.gz BPVACJGIJIATPE-UHFFFAOYSA-N 1 0 345.446 4.250 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000895788309 1044893094 /nfs/dbraw/zinc/89/30/94/1044893094.db2.gz OUOUDDCSBDDANC-QRTARXTBSA-N 1 0 338.373 4.142 20 30 EIEDRO Cc1cc(C)c(C#N)c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000391051291 1044918605 /nfs/dbraw/zinc/91/86/05/1044918605.db2.gz HCSPKZWGWBZPMZ-IHWFROFDSA-N 1 0 346.478 4.178 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCSC3(CCC3)C2)c1 ZINC000922844970 1044998791 /nfs/dbraw/zinc/99/87/91/1044998791.db2.gz JAPAWHREIVKSNM-QGZVFWFLSA-N 1 0 330.497 4.277 20 30 EIEDRO C=CCC1([NH2+]C[C@@H]2CCN(C(=O)c3ccccc3)C2)CCCCC1 ZINC000625934304 1045040004 /nfs/dbraw/zinc/04/00/04/1045040004.db2.gz IRVVTLXSRLUQNH-SFHVURJKSA-N 1 0 326.484 4.017 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C#N)c(F)c1 ZINC000495431141 1045099522 /nfs/dbraw/zinc/09/95/22/1045099522.db2.gz APLOBQIZJUPYJP-LLVKDONJSA-N 1 0 347.777 4.152 20 30 EIEDRO C=CCOCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000470774480 1045150079 /nfs/dbraw/zinc/15/00/79/1045150079.db2.gz SIKOXVIOKRYIOM-FQEVSTJZSA-N 1 0 329.415 4.106 20 30 EIEDRO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cccc(C#N)c3)c2)s1 ZINC000740011485 1045172274 /nfs/dbraw/zinc/17/22/74/1045172274.db2.gz OCDVGFIMZLTHKX-UHFFFAOYSA-N 1 0 329.428 4.448 20 30 EIEDRO Cc1c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)sc2nc(C)nc(C)c12 ZINC000915224694 1045194519 /nfs/dbraw/zinc/19/45/19/1045194519.db2.gz GBDQQEBAQWCEIV-LBPRGKRZSA-N 1 0 336.464 4.339 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)c2ccccc2Cl)c(O)c1 ZINC000740763877 1045218730 /nfs/dbraw/zinc/21/87/30/1045218730.db2.gz SAVODAIKLXEARF-CIPMJJFUSA-N 1 0 346.858 4.044 20 30 EIEDRO CC#CCC[NH2+]Cc1c(F)ccc(C(F)(F)F)c1Br ZINC001205137349 1045232611 /nfs/dbraw/zinc/23/26/11/1045232611.db2.gz WNZOKHIBWFFYRS-UHFFFAOYSA-N 1 0 338.142 4.110 20 30 EIEDRO CCCCCCCC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000740874387 1045236815 /nfs/dbraw/zinc/23/68/15/1045236815.db2.gz HFQIEIXSBZLDMS-MRXNPFEDSA-N 1 0 325.518 4.443 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nccc3ccccc32)c1 ZINC000740898218 1045240541 /nfs/dbraw/zinc/24/05/41/1045240541.db2.gz ITBMEONQFQQRNV-SFHVURJKSA-N 1 0 331.419 4.206 20 30 EIEDRO C[C@@H](C#N)C[N@H+](CCCCOc1ccccc1C(F)(F)F)C1CC1 ZINC000611091451 1045251835 /nfs/dbraw/zinc/25/18/35/1045251835.db2.gz CUINNFSJMZAKSX-AWEZNQCLSA-N 1 0 340.389 4.488 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)s1 ZINC000611252799 1045265514 /nfs/dbraw/zinc/26/55/14/1045265514.db2.gz UKNWMWCDOYSURI-UHFFFAOYSA-N 1 0 340.448 4.293 20 30 EIEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266775 1045270249 /nfs/dbraw/zinc/27/02/49/1045270249.db2.gz LVLXRQBWSGCOQQ-VQIMIIECSA-N 1 0 326.465 4.219 20 30 EIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]Cc3ccnc(C#N)c3)cc2)cs1 ZINC000611380201 1045292777 /nfs/dbraw/zinc/29/27/77/1045292777.db2.gz AIBQMWSBXDTVKA-ZDUSSCGKSA-N 1 0 334.448 4.236 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000611387653 1045293940 /nfs/dbraw/zinc/29/39/40/1045293940.db2.gz DFAHLXFBAGXSFM-AWEZNQCLSA-N 1 0 344.336 4.159 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000611385899 1045293995 /nfs/dbraw/zinc/29/39/95/1045293995.db2.gz HVGOFAXCFRSXDJ-QGZVFWFLSA-N 1 0 333.357 4.459 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000611390959 1045296363 /nfs/dbraw/zinc/29/63/63/1045296363.db2.gz XPJQWBYEWMQIGS-NRFANRHFSA-N 1 0 347.462 4.442 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000611390695 1045297610 /nfs/dbraw/zinc/29/76/10/1045297610.db2.gz PPHPHFDBUOWAOX-OAQYLSRUSA-N 1 0 346.478 4.111 20 30 EIEDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611393043 1045299118 /nfs/dbraw/zinc/29/91/18/1045299118.db2.gz DYQJSGZLRWNYFP-KXBFYZLASA-N 1 0 336.435 4.001 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000611390323 1045302758 /nfs/dbraw/zinc/30/27/58/1045302758.db2.gz SCIXXFCYKTVQOG-RTWAWAEBSA-N 1 0 349.478 4.345 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000611391337 1045302911 /nfs/dbraw/zinc/30/29/11/1045302911.db2.gz BUQMINUJJVNBHO-FQEVSTJZSA-N 1 0 346.409 4.050 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000236682409 1045363040 /nfs/dbraw/zinc/36/30/40/1045363040.db2.gz WYSPDUCWDZNECZ-HXUWFJFHSA-N 1 0 340.467 4.161 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)cc1 ZINC000237719671 1045393365 /nfs/dbraw/zinc/39/33/65/1045393365.db2.gz DEYRCLNUYNEJNE-UHFFFAOYSA-N 1 0 337.341 4.440 20 30 EIEDRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC(C)(C)CCC#N ZINC000495944494 1045447117 /nfs/dbraw/zinc/44/71/17/1045447117.db2.gz FPHOGARPPFXONE-HZPDHXFCSA-N 1 0 337.508 4.084 20 30 EIEDRO CCCCCCCCCCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000915680986 1045448974 /nfs/dbraw/zinc/44/89/74/1045448974.db2.gz YDWSKHLEXMDWHP-UHFFFAOYSA-N 1 0 331.504 4.261 20 30 EIEDRO C[C@@H](Cc1cccc(F)c1)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001168499980 1045481012 /nfs/dbraw/zinc/48/10/12/1045481012.db2.gz DTZGDIADRKYFRH-INIZCTEOSA-N 1 0 340.417 4.453 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cc1 ZINC000790700796 1045563432 /nfs/dbraw/zinc/56/34/32/1045563432.db2.gz FTOYWCNLXCLATD-YOEHRIQHSA-N 1 0 325.880 4.264 20 30 EIEDRO COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000171768451 1045590442 /nfs/dbraw/zinc/59/04/42/1045590442.db2.gz DVJFAEYNWBCUFN-ZDUSSCGKSA-N 1 0 330.815 4.102 20 30 EIEDRO C=CC[C@@H]([NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccncc1 ZINC000768102736 1045715249 /nfs/dbraw/zinc/71/52/49/1045715249.db2.gz BONXUGRCONQOQK-RHSMWYFYSA-N 1 0 341.411 4.357 20 30 EIEDRO CC(C)(C)c1ncc(C[NH2+]CCSCc2ccccc2C#N)s1 ZINC000194386664 1045742538 /nfs/dbraw/zinc/74/25/38/1045742538.db2.gz PZEHAHCQCAXYFX-UHFFFAOYSA-N 1 0 345.537 4.335 20 30 EIEDRO N#CCCCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068859980 1045755380 /nfs/dbraw/zinc/75/53/80/1045755380.db2.gz MXVREEWZUKAKBO-UHFFFAOYSA-N 1 0 348.450 4.383 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)cc1 ZINC000768235031 1045759650 /nfs/dbraw/zinc/75/96/50/1045759650.db2.gz VXSVOFIMDINRIO-JOCHJYFZSA-N 1 0 337.463 4.197 20 30 EIEDRO C=CCOc1cccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1 ZINC000768235002 1045761791 /nfs/dbraw/zinc/76/17/91/1045761791.db2.gz UYKVSMIFCRVEOB-QFIPXVFZSA-N 1 0 337.463 4.197 20 30 EIEDRO C#CCCCCCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000780643665 1045778601 /nfs/dbraw/zinc/77/86/01/1045778601.db2.gz GVZUWYUZWISHQT-IBGZPJMESA-N 1 0 332.532 4.073 20 30 EIEDRO C[C@H](C#N)Oc1ccccc1N[C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768519680 1045814427 /nfs/dbraw/zinc/81/44/27/1045814427.db2.gz VTDHTODISHHUGF-GGPKGHCWSA-N 1 0 349.478 4.300 20 30 EIEDRO CC[C@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1OC ZINC000609239546 1045820267 /nfs/dbraw/zinc/82/02/67/1045820267.db2.gz RUJAMKYAGDOMBU-AWEZNQCLSA-N 1 0 342.414 4.173 20 30 EIEDRO Clc1ccc(Cl)c(C=NNCC[NH+]2CCCCC2)c1Cl ZINC000915974395 1045847449 /nfs/dbraw/zinc/84/74/49/1045847449.db2.gz SDVTVJURMAOBDL-UHFFFAOYSA-N 1 0 334.678 4.056 20 30 EIEDRO CCCCc1oc2ccccc2c1C=NNCC[NH+]1CCCCC1 ZINC000915973416 1045847870 /nfs/dbraw/zinc/84/78/70/1045847870.db2.gz HWNZZZNFMSBPCO-UHFFFAOYSA-N 1 0 327.472 4.185 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\CCO[C@@H]2CCCC[C@H]2C)c(O)c1 ZINC000915978516 1045850190 /nfs/dbraw/zinc/85/01/90/1045850190.db2.gz HOPNUVQQEXYLAV-CVMPDPLCSA-N 1 0 332.488 4.253 20 30 EIEDRO C#CCOc1ccc(C[N@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000769210699 1045893307 /nfs/dbraw/zinc/89/33/07/1045893307.db2.gz IJKSQIKWXOSMQG-FYYLOGMGSA-N 1 0 349.474 4.298 20 30 EIEDRO C=CCc1cc(C[N@@H+](CCC)Cc2ccccc2O)cc(OC)c1O ZINC000769201373 1045894367 /nfs/dbraw/zinc/89/43/67/1045894367.db2.gz SLPLSKGXYKCYNU-UHFFFAOYSA-N 1 0 341.451 4.247 20 30 EIEDRO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769319162 1045919768 /nfs/dbraw/zinc/91/97/68/1045919768.db2.gz TYGXYNUJIVCXEL-WIYYLYMNSA-N 1 0 334.463 4.493 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000769315176 1045921252 /nfs/dbraw/zinc/92/12/52/1045921252.db2.gz GSBAUBFGKUBCML-QFIPXVFZSA-N 1 0 349.478 4.000 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nc2ccccc2n1C ZINC000614914017 1045938446 /nfs/dbraw/zinc/93/84/46/1045938446.db2.gz BVGDXQPYTQLXCM-OAHLLOKOSA-N 1 0 332.451 4.225 20 30 EIEDRO Cc1ccccc1C[N@H+]1CCCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000614964071 1045974046 /nfs/dbraw/zinc/97/40/46/1045974046.db2.gz VOBYASNLGGGPBP-IBGZPJMESA-N 1 0 333.479 4.136 20 30 EIEDRO C[C@@H](Cc1ccccc1Cl)n1cc(CC[NH3+])c2cc(C#N)ccc21 ZINC001170255865 1045973733 /nfs/dbraw/zinc/97/37/33/1045973733.db2.gz DJYPUMBMVXUJPH-AWEZNQCLSA-N 1 0 337.854 4.471 20 30 EIEDRO CC(=O)[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC001170359382 1046014380 /nfs/dbraw/zinc/01/43/80/1046014380.db2.gz UJZDUQAKIMKLDI-ORFBVSJDSA-N 1 0 332.447 4.310 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC001170362311 1046014738 /nfs/dbraw/zinc/01/47/38/1046014738.db2.gz WEGQERNRIYHBEO-QUENFVSXSA-N 1 0 331.463 4.453 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3ccccc3[C@H]2O)CC1 ZINC001170367392 1046017180 /nfs/dbraw/zinc/01/71/80/1046017180.db2.gz GHEJIGCDLDAAOB-XOUFRROXSA-N 1 0 346.474 4.029 20 30 EIEDRO CC(=O)c1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC001170369202 1046018567 /nfs/dbraw/zinc/01/85/67/1046018567.db2.gz UAQBJGDWRSBNFD-UHFFFAOYSA-N 1 0 332.447 4.383 20 30 EIEDRO CCC(CC)N1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170371648 1046022541 /nfs/dbraw/zinc/02/25/41/1046022541.db2.gz HTIYIZFZDBFDRV-FUHYEJFZSA-N 1 0 339.527 4.243 20 30 EIEDRO CO[C@@H]1C[C@H]([NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)C1(C)C ZINC001170384557 1046024005 /nfs/dbraw/zinc/02/40/05/1046024005.db2.gz CRRPKWKEXKSYLQ-LEWJYISDSA-N 1 0 348.490 4.289 20 30 EIEDRO N#CC1(c2ccccc2)CCC([N@@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001170389464 1046027060 /nfs/dbraw/zinc/02/70/60/1046027060.db2.gz TZQNLWUVVHNCBK-KOENEWCDSA-N 1 0 346.474 4.464 20 30 EIEDRO Cc1cnc2c(c1)C[N@H+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170397381 1046028589 /nfs/dbraw/zinc/02/85/89/1046028589.db2.gz ALLGKKUCTFCXBS-UHFFFAOYSA-N 1 0 331.463 4.152 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH+]2CC3(C2)CC(F)(F)CS3)CC1 ZINC001170394862 1046028763 /nfs/dbraw/zinc/02/87/63/1046028763.db2.gz CRZYRHAIFXTHJW-UHFFFAOYSA-N 1 0 348.462 4.217 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCc3ccncc32)CC1 ZINC001170375966 1046030873 /nfs/dbraw/zinc/03/08/73/1046030873.db2.gz IPVGWABGKZJNCS-NJEKYYFSSA-N 1 0 331.463 4.453 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH+]2CCC(OC3CCC3)CC2)CC1 ZINC001170378863 1046033966 /nfs/dbraw/zinc/03/39/66/1046033966.db2.gz LREUDCDHFQRLQC-UHFFFAOYSA-N 1 0 338.495 4.424 20 30 EIEDRO CCC[C@@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168510152 1046046641 /nfs/dbraw/zinc/04/66/41/1046046641.db2.gz SRPSUICABSOPSK-RTBURBONSA-N 1 0 330.378 4.001 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc(NC(=O)OC(C)(C)C)c1 ZINC000496754364 1046053495 /nfs/dbraw/zinc/05/34/95/1046053495.db2.gz CFMRDCRATIZQSM-HOCLYGCPSA-N 1 0 329.444 4.124 20 30 EIEDRO CC(C)(C)OC(=O)NC1(C)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000769790233 1046075219 /nfs/dbraw/zinc/07/52/19/1046075219.db2.gz PDBDNJKDRGKCJJ-UHFFFAOYSA-N 1 0 337.508 4.086 20 30 EIEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000324954963 1046100085 /nfs/dbraw/zinc/10/00/85/1046100085.db2.gz CMRONYMJKIWVJD-AWEZNQCLSA-N 1 0 341.842 4.233 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)CCCC1(C)C ZINC000769952199 1046107991 /nfs/dbraw/zinc/10/79/91/1046107991.db2.gz AQQQFBTVYYWMPL-INIZCTEOSA-N 1 0 329.419 4.442 20 30 EIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)ccc1C#N ZINC000488142653 1046115197 /nfs/dbraw/zinc/11/51/97/1046115197.db2.gz CIZPWYOXLHBMEW-HNNXBMFYSA-N 1 0 348.450 4.001 20 30 EIEDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000769990905 1046123461 /nfs/dbraw/zinc/12/34/61/1046123461.db2.gz PKPQELIDLUFVCP-QZTJIDSGSA-N 1 0 348.368 4.183 20 30 EIEDRO C[C@@H](c1ccccc1Cl)[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763406252 1046134185 /nfs/dbraw/zinc/13/41/85/1046134185.db2.gz IAQJTYRQEPWZRH-XOBRGWDASA-N 1 0 340.854 4.471 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2F)cc1 ZINC000770236521 1046162422 /nfs/dbraw/zinc/16/24/22/1046162422.db2.gz KUVVKZZETOMIRT-UXHICEINSA-N 1 0 342.389 4.097 20 30 EIEDRO Cc1c(C#N)cccc1NC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000770298205 1046176259 /nfs/dbraw/zinc/17/62/59/1046176259.db2.gz XPIMGLGVLJLMBA-UHFFFAOYSA-N 1 0 342.487 4.035 20 30 EIEDRO C[NH+](C)Cc1ccc(NCc2cccc(OCCCC#N)c2)cc1F ZINC000770601299 1046234593 /nfs/dbraw/zinc/23/45/93/1046234593.db2.gz MJXLQLAMIYQNNM-UHFFFAOYSA-N 1 0 341.430 4.182 20 30 EIEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1csc2ccccc21 ZINC000793583323 1046300072 /nfs/dbraw/zinc/30/00/72/1046300072.db2.gz AWVDESBDRAYBJR-ZDUSSCGKSA-N 1 0 332.432 4.271 20 30 EIEDRO CC(C)(C)[C@@H](COc1ccccc1F)[NH2+]Cc1ccc(F)cc1C#N ZINC001168518597 1046311022 /nfs/dbraw/zinc/31/10/22/1046311022.db2.gz FCPHIOAYTQCKNO-LJQANCHMSA-N 1 0 344.405 4.420 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)c2ccc(Cl)cc2)c(O)c1 ZINC000793667224 1046321990 /nfs/dbraw/zinc/32/19/90/1046321990.db2.gz IFLPOBSKEHQDKB-GFIJVFARSA-N 1 0 346.858 4.044 20 30 EIEDRO CCCc1nc(C)c(C/[NH+]=C/c2ccc(N(CC)CC)cc2O)o1 ZINC000793664782 1046323009 /nfs/dbraw/zinc/32/30/09/1046323009.db2.gz ACVMTVIZXOGCCS-UDWIEESQSA-N 1 0 329.444 4.106 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)c1ccc(C#N)cc1F ZINC000497269484 1046540703 /nfs/dbraw/zinc/54/07/03/1046540703.db2.gz PISUNFVGGHYLBH-UONOGXRCSA-N 1 0 349.450 4.041 20 30 EIEDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000917007029 1046556005 /nfs/dbraw/zinc/55/60/05/1046556005.db2.gz WHWVDVPZJNTAIX-AWEZNQCLSA-N 1 0 330.378 4.298 20 30 EIEDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000917007034 1046556125 /nfs/dbraw/zinc/55/61/25/1046556125.db2.gz WHWVDVPZJNTAIX-CQSZACIVSA-N 1 0 330.378 4.298 20 30 EIEDRO C[NH+](C)[C@H](CNc1nc(Cl)c(C#N)s1)c1ccc(Cl)cc1 ZINC000804531684 1046573165 /nfs/dbraw/zinc/57/31/65/1046573165.db2.gz QHROTDUJSUWZFC-LLVKDONJSA-N 1 0 341.267 4.036 20 30 EIEDRO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000917071314 1046649181 /nfs/dbraw/zinc/64/91/81/1046649181.db2.gz QWXQLKCEHMKVQV-GFCCVEGCSA-N 1 0 329.271 4.067 20 30 EIEDRO Cc1cccc(OCCC[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1C ZINC000785574878 1046723653 /nfs/dbraw/zinc/72/36/53/1046723653.db2.gz BOXVSLRZWOUWNJ-KRWDZBQOSA-N 1 0 338.451 4.153 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000785617107 1046726491 /nfs/dbraw/zinc/72/64/91/1046726491.db2.gz KIDSSIYRZCMFHJ-QFIPXVFZSA-N 1 0 331.463 4.326 20 30 EIEDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000536843801 1046816371 /nfs/dbraw/zinc/81/63/71/1046816371.db2.gz FHMSJBDEFXRBOQ-PMJAUZGISA-N 1 0 340.511 4.431 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+][C@H]1CCc2c1cccc2F ZINC000536866007 1046832711 /nfs/dbraw/zinc/83/27/11/1046832711.db2.gz ZZLXKJYSZSNAAE-IBGZPJMESA-N 1 0 326.440 4.208 20 30 EIEDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC(C)(C)CC#N ZINC000459661727 1046845772 /nfs/dbraw/zinc/84/57/72/1046845772.db2.gz BTAZOAJYTRULCG-UHFFFAOYSA-N 1 0 344.890 4.231 20 30 EIEDRO C[N@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459692929 1046859571 /nfs/dbraw/zinc/85/95/71/1046859571.db2.gz IIKVXSINRLZTLB-WOJBJXKFSA-N 1 0 326.484 4.355 20 30 EIEDRO C=CCCCCCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805219165 1046867647 /nfs/dbraw/zinc/86/76/47/1046867647.db2.gz ZJIGEZIWPAKZBB-UHFFFAOYSA-N 1 0 328.500 4.151 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1)c1ccc(C#N)cc1 ZINC000787029424 1046895268 /nfs/dbraw/zinc/89/52/68/1046895268.db2.gz YENSJKAAVNUKOO-QZTJIDSGSA-N 1 0 332.806 4.125 20 30 EIEDRO C#CC[N@@H+](Cc1c(O)ccc2ccncc21)[C@H]1CCc2ccccc21 ZINC000917457409 1046897958 /nfs/dbraw/zinc/89/79/58/1046897958.db2.gz PYMMZLITAAQSNT-NRFANRHFSA-N 1 0 328.415 4.063 20 30 EIEDRO C=C(C)C[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000537022875 1046899262 /nfs/dbraw/zinc/89/92/62/1046899262.db2.gz BLEZELPNRNUZHU-OAHLLOKOSA-N 1 0 326.415 4.234 20 30 EIEDRO COc1ccc([C@@H](Cc2ccncc2)[NH2+]Cc2ccc(C#N)cc2)cc1 ZINC000796692371 1047023663 /nfs/dbraw/zinc/02/36/63/1047023663.db2.gz BWIDPHMOJRFWBH-JOCHJYFZSA-N 1 0 343.430 4.035 20 30 EIEDRO C=CCc1ccccc1OC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805849655 1047037539 /nfs/dbraw/zinc/03/75/39/1047037539.db2.gz BGIWAWAAHMWULQ-UHFFFAOYSA-N 1 0 335.447 4.233 20 30 EIEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(C)C ZINC000537290401 1047073134 /nfs/dbraw/zinc/07/31/34/1047073134.db2.gz OLOUHGHHEQRMAR-INIZCTEOSA-N 1 0 347.528 4.241 20 30 EIEDRO C#CC1CC[NH+](C2C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C2)CC1 ZINC001170496845 1047090471 /nfs/dbraw/zinc/09/04/71/1047090471.db2.gz MGXUXXRMQNRRDS-QZTJIDSGSA-N 1 0 348.531 4.288 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccccc2OC(F)F)cc1 ZINC000788075562 1047103561 /nfs/dbraw/zinc/10/35/61/1047103561.db2.gz JXMRPBJQLNGFIB-UHFFFAOYSA-N 1 0 345.389 4.022 20 30 EIEDRO C#CCC1(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CCCCC1 ZINC000788162525 1047125634 /nfs/dbraw/zinc/12/56/34/1047125634.db2.gz NAMIVARRZVZGJX-UHFFFAOYSA-N 1 0 344.543 4.075 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)c(F)c1 ZINC000537400037 1047190072 /nfs/dbraw/zinc/19/00/72/1047190072.db2.gz ICCGKZARJACNBS-ORAYPTAESA-N 1 0 345.849 4.304 20 30 EIEDRO C[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000537401659 1047193977 /nfs/dbraw/zinc/19/39/77/1047193977.db2.gz ZWCYMRFIPGQHPB-NSHDSACASA-N 1 0 338.304 4.447 20 30 EIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1OC ZINC000537408378 1047202810 /nfs/dbraw/zinc/20/28/10/1047202810.db2.gz XJHKSCSSYKPILZ-UONOGXRCSA-N 1 0 342.414 4.435 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)cc1 ZINC000788538440 1047215586 /nfs/dbraw/zinc/21/55/86/1047215586.db2.gz MRDBZILIMVSHHW-NHCUHLMSSA-N 1 0 325.452 4.099 20 30 EIEDRO C=CCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000918060180 1047309156 /nfs/dbraw/zinc/30/91/56/1047309156.db2.gz GFKFSCKCCWGIPF-SFHVURJKSA-N 1 0 349.906 4.083 20 30 EIEDRO C=CCN(C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000918063895 1047311534 /nfs/dbraw/zinc/31/15/34/1047311534.db2.gz GCRFBEJOZUIVCO-GOSISDBHSA-N 1 0 343.515 4.167 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccc[nH]1 ZINC000760444092 1047371561 /nfs/dbraw/zinc/37/15/61/1047371561.db2.gz FBRADURPJWLDJD-MRXNPFEDSA-N 1 0 331.419 4.316 20 30 EIEDRO C#CCCCCCC[NH+]1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC001170518942 1047418651 /nfs/dbraw/zinc/41/86/51/1047418651.db2.gz KRBZRVCVRUHKTD-QFIPXVFZSA-N 1 0 343.511 4.414 20 30 EIEDRO COc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1C#N ZINC000154727411 1047438762 /nfs/dbraw/zinc/43/87/62/1047438762.db2.gz PMUQOYFTADVSKJ-UHFFFAOYSA-N 1 0 348.402 4.068 20 30 EIEDRO Cc1cccc(CC[N@@H+](C)Cc2ccc(C#N)cc2Br)c1 ZINC001137638046 1047449622 /nfs/dbraw/zinc/44/96/22/1047449622.db2.gz MJHXLQKIIYEEFO-UHFFFAOYSA-N 1 0 343.268 4.304 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000897748983 1047476998 /nfs/dbraw/zinc/47/69/98/1047476998.db2.gz NUVMDKMGWLBKKG-PFNPZRIDSA-N 1 0 326.509 4.407 20 30 EIEDRO Cc1cccnc1N=NC1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000790188225 1047532777 /nfs/dbraw/zinc/53/27/77/1047532777.db2.gz WIWQDWDSNAZTGU-MOPGFXCFSA-N 1 0 334.467 4.090 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccc(F)c(F)c2)C1 ZINC000898107222 1047546602 /nfs/dbraw/zinc/54/66/02/1047546602.db2.gz DMCRDPZJBWBVSK-QIIPPGSGSA-N 1 0 331.410 4.122 20 30 EIEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000556218691 1047591578 /nfs/dbraw/zinc/59/15/78/1047591578.db2.gz ZTTRKXZTZMZWEQ-MRXNPFEDSA-N 1 0 327.472 4.252 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](c2ccncc2)C2CC2)ccc1OC ZINC000898323990 1047616344 /nfs/dbraw/zinc/61/63/44/1047616344.db2.gz AWRNDYPSBRZHHX-NRFANRHFSA-N 1 0 338.451 4.286 20 30 EIEDRO CCOc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1OCC ZINC000556407578 1047739710 /nfs/dbraw/zinc/73/97/10/1047739710.db2.gz GMDBFZQLJVHMJR-UHFFFAOYSA-N 1 0 336.435 4.135 20 30 EIEDRO C[C@H]1C[C@H](Nc2snc(Cl)c2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000080230796 1047819055 /nfs/dbraw/zinc/81/90/55/1047819055.db2.gz UKZNUFVRBQHCID-GXTWGEPZSA-N 1 0 346.887 4.133 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)nc1 ZINC000556574796 1047828068 /nfs/dbraw/zinc/82/80/68/1047828068.db2.gz SDIWPGAMRBYTEX-QZTJIDSGSA-N 1 0 345.368 4.398 20 30 EIEDRO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000556599462 1047834858 /nfs/dbraw/zinc/83/48/58/1047834858.db2.gz SBCOQGAKODXXPU-DYESRHJHSA-N 1 0 337.511 4.180 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000556599882 1047838005 /nfs/dbraw/zinc/83/80/05/1047838005.db2.gz AXYAUPWNFNGJHB-UHFFFAOYSA-N 1 0 336.483 4.304 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@@H](CC3CCC3)c3ccccc3)n2c1 ZINC000556601599 1047839047 /nfs/dbraw/zinc/83/90/47/1047839047.db2.gz PTRFIKRTEUNJTI-FQEVSTJZSA-N 1 0 330.435 4.227 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000824424089 1047867441 /nfs/dbraw/zinc/86/74/41/1047867441.db2.gz XKPILNRHZFJYPQ-DLBZAZTESA-N 1 0 329.488 4.392 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)cc1C#N ZINC000824468881 1047877212 /nfs/dbraw/zinc/87/72/12/1047877212.db2.gz QTDQOTBESMVWTQ-GOSISDBHSA-N 1 0 328.362 4.012 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)cc1 ZINC000824716170 1047910036 /nfs/dbraw/zinc/91/00/36/1047910036.db2.gz SRCMMLZMPDJHSA-NFAWXSAZSA-N 1 0 326.362 4.140 20 30 EIEDRO COC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cccc(Cl)c1 ZINC000808453936 1047917237 /nfs/dbraw/zinc/91/72/37/1047917237.db2.gz BGUVVNRLTCZEDD-IFXJQAMLSA-N 1 0 344.842 4.108 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000824969702 1048012374 /nfs/dbraw/zinc/01/23/74/1048012374.db2.gz IGHICZJRCIPWDS-WFASDCNBSA-N 1 0 327.255 4.041 20 30 EIEDRO N#Cc1cccc(C[NH+]2CCC(Cc3c(F)cccc3F)CC2)c1 ZINC001171078906 1048060536 /nfs/dbraw/zinc/06/05/36/1048060536.db2.gz VWKLVVHINHKCEQ-UHFFFAOYSA-N 1 0 326.390 4.291 20 30 EIEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC000556865268 1048072582 /nfs/dbraw/zinc/07/25/82/1048072582.db2.gz NTLRAYFADJQCMO-YWZLYKJASA-N 1 0 335.451 4.033 20 30 EIEDRO C=CCC[C@H](NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000556868743 1048086012 /nfs/dbraw/zinc/08/60/12/1048086012.db2.gz BUKMYIMUGZZKQG-SFTDATJTSA-N 1 0 338.495 4.441 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]CCc3ccccc3Cl)CC2)cc1 ZINC000556869820 1048086618 /nfs/dbraw/zinc/08/66/18/1048086618.db2.gz KKCZHOFYJFSSIW-UHFFFAOYSA-N 1 0 339.870 4.013 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccccc1 ZINC000814659147 1048104694 /nfs/dbraw/zinc/10/46/94/1048104694.db2.gz KUBZUZXABNKPTE-RBUKOAKNSA-N 1 0 328.843 4.398 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(C)c1OC ZINC000556892224 1048137524 /nfs/dbraw/zinc/13/75/24/1048137524.db2.gz JAXFRETUSBZYMM-KBPBESRZSA-N 1 0 342.414 4.435 20 30 EIEDRO CC(N=Nc1nc(C(F)(F)F)cs1)c1ccc(C[NH+](C)C)cc1 ZINC000814867592 1048212876 /nfs/dbraw/zinc/21/28/76/1048212876.db2.gz LDFVONYZTVBHHH-UHFFFAOYSA-N 1 0 342.390 4.060 20 30 EIEDRO c1ccc2ncc(CN[NH+]=C3CC[C@H]4CNc5cccc3c54)cc2c1 ZINC000814876818 1048216095 /nfs/dbraw/zinc/21/60/95/1048216095.db2.gz JBANUZMEIOJNNR-INIZCTEOSA-N 1 0 328.419 4.032 20 30 EIEDRO CC(C)c1c(Cl)ncnc1N=NC(C)c1cccc(C[NH+](C)C)c1 ZINC000814922127 1048236993 /nfs/dbraw/zinc/23/69/93/1048236993.db2.gz VXPMWPHXXQSQDC-UHFFFAOYSA-N 1 0 345.878 4.151 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)CCOc2ccccc2)c1O ZINC000919935246 1048317375 /nfs/dbraw/zinc/31/73/75/1048317375.db2.gz CWZOQHBAWWEOIE-UHFFFAOYSA-N 1 0 341.451 4.030 20 30 EIEDRO C=CC[C@H](C)C(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001144020158 1048369830 /nfs/dbraw/zinc/36/98/30/1048369830.db2.gz BEHQKCASFZZWMB-JXFKEZNVSA-N 1 0 326.484 4.181 20 30 EIEDRO CC(C)(C)Oc1ccc([C@@H]2CC[N@H+](Cc3cncc(C#N)c3)C2)cc1 ZINC001144086376 1048404060 /nfs/dbraw/zinc/40/40/60/1048404060.db2.gz PQXCJMCQXFJAGP-LJQANCHMSA-N 1 0 335.451 4.120 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000809574085 1048404623 /nfs/dbraw/zinc/40/46/23/1048404623.db2.gz GKYYHTKTSMJTMB-NRFANRHFSA-N 1 0 339.866 4.267 20 30 EIEDRO C[C@H](O)c1ncc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000809635520 1048447670 /nfs/dbraw/zinc/44/76/70/1048447670.db2.gz YHFBIZXAVQRLHE-AWEZNQCLSA-N 1 0 349.459 4.025 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C)CCC(C)=C(C)C1)C(C)C ZINC001144203892 1048508569 /nfs/dbraw/zinc/50/85/69/1048508569.db2.gz GEZDHUBJUCVECE-PZJWPPBQSA-N 1 0 332.532 4.328 20 30 EIEDRO C=C(C[NH2+][C@@H](C)c1ccc(N2CCCOC2=O)cc1)c1ccccc1 ZINC000815570274 1048513152 /nfs/dbraw/zinc/51/31/52/1048513152.db2.gz XWARMCYGBOQIKJ-KRWDZBQOSA-N 1 0 336.435 4.397 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC[C@@H](O)c2ccccc2)cc1Cl ZINC000809747624 1048514659 /nfs/dbraw/zinc/51/46/59/1048514659.db2.gz TVSREYCNBACIIL-GOSISDBHSA-N 1 0 331.843 4.118 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(n3c4ccccc4nc3CC)CC2)cc1 ZINC000809752599 1048518586 /nfs/dbraw/zinc/51/85/86/1048518586.db2.gz GQHWFGQFHNFVSP-UHFFFAOYSA-N 1 0 343.474 4.417 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1)c1ccncc1 ZINC000815580439 1048520698 /nfs/dbraw/zinc/52/06/98/1048520698.db2.gz KFSQYOJYQXPALL-UHOSZYNNSA-N 1 0 330.472 4.191 20 30 EIEDRO N#CCCC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccccc1 ZINC000815635680 1048566052 /nfs/dbraw/zinc/56/60/52/1048566052.db2.gz HPEINKQPSYFALZ-XWTMOSNGSA-N 1 0 332.538 4.391 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1 ZINC000815642854 1048566958 /nfs/dbraw/zinc/56/69/58/1048566958.db2.gz NIBSNHRXBGCVHV-ZIAGYGMSSA-N 1 0 332.831 4.330 20 30 EIEDRO C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1[C@@H](CC)CCCCCC ZINC001170592073 1048587057 /nfs/dbraw/zinc/58/70/57/1048587057.db2.gz GWINWEMFXRJCOE-PKOBYXMFSA-N 1 0 348.535 4.149 20 30 EIEDRO C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1[C@H](CC)CCCCCC ZINC001170592072 1048587898 /nfs/dbraw/zinc/58/78/98/1048587898.db2.gz GWINWEMFXRJCOE-MJGOQNOKSA-N 1 0 348.535 4.149 20 30 EIEDRO Cc1nc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)sc1C ZINC001144369530 1048619375 /nfs/dbraw/zinc/61/93/75/1048619375.db2.gz LJUMRLPKCQTQHI-UHFFFAOYSA-N 1 0 325.481 4.086 20 30 EIEDRO C[C@H](C#N)OCC[NH2+][C@H](Cc1ccccc1C(F)(F)F)C(C)(C)C ZINC000810082583 1048621800 /nfs/dbraw/zinc/62/18/00/1048621800.db2.gz TWCQFMDTXDCCME-CZUORRHYSA-N 1 0 342.405 4.181 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)ccc1OC ZINC000810144691 1048648883 /nfs/dbraw/zinc/64/88/83/1048648883.db2.gz FKKPMCSTNQHHSB-ATZDWAIDSA-N 1 0 342.483 4.458 20 30 EIEDRO N#Cc1csc(C[NH2+]CCCCCCOc2ccc(Cl)cc2)n1 ZINC000810152898 1048659826 /nfs/dbraw/zinc/65/98/26/1048659826.db2.gz GGZYWTAVQFTWKJ-UHFFFAOYSA-N 1 0 349.887 4.397 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(N3CCCCC3)cc2)c(F)c1 ZINC000772922464 1048667170 /nfs/dbraw/zinc/66/71/70/1048667170.db2.gz TXVMFUHWAFDGAA-UHFFFAOYSA-N 1 0 337.442 4.020 20 30 EIEDRO COc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c2cc[nH]c21 ZINC001171182356 1048672509 /nfs/dbraw/zinc/67/25/09/1048672509.db2.gz KFQLFMWRAMBWJT-UHFFFAOYSA-N 1 0 331.375 4.072 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)CC2 ZINC000810217726 1048686353 /nfs/dbraw/zinc/68/63/53/1048686353.db2.gz AWYDWBVOFFREFH-FCHUYYIVSA-N 1 0 332.447 4.303 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC001171189706 1048687322 /nfs/dbraw/zinc/68/73/22/1048687322.db2.gz JXKANONBIOASEG-JTSKRJEESA-N 1 0 334.463 4.247 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC001171189736 1048687491 /nfs/dbraw/zinc/68/74/91/1048687491.db2.gz KMWFVHFNCYRONI-OAHLLOKOSA-N 1 0 333.460 4.403 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccnc(Cl)c1)C1CC1 ZINC001171190579 1048692511 /nfs/dbraw/zinc/69/25/11/1048692511.db2.gz WCSXNORCHZVRBJ-YJYMSZOUSA-N 1 0 325.843 4.279 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171193180 1048695289 /nfs/dbraw/zinc/69/52/89/1048695289.db2.gz UQHKJFPWDGBWHJ-CQSZACIVSA-N 1 0 343.268 4.350 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1c(Cl)cccc1Cl)CC2 ZINC000810227590 1048696348 /nfs/dbraw/zinc/69/63/48/1048696348.db2.gz YLQGWAJMHFYTMJ-DLBZAZTESA-N 1 0 347.245 4.176 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1c(Cl)cccc1Cl)CC2 ZINC000810227593 1048696627 /nfs/dbraw/zinc/69/66/27/1048696627.db2.gz YLQGWAJMHFYTMJ-SJORKVTESA-N 1 0 347.245 4.176 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1cncc(Cl)c1)C1CC1 ZINC001171197997 1048730103 /nfs/dbraw/zinc/73/01/03/1048730103.db2.gz GSZPWYOFXFGLTA-ORAYPTAESA-N 1 0 325.843 4.279 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)ccc1C#N ZINC000810251825 1048730134 /nfs/dbraw/zinc/73/01/34/1048730134.db2.gz YTNURRQEAPKZLK-LBPRGKRZSA-N 1 0 330.815 4.085 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC001144573419 1048732398 /nfs/dbraw/zinc/73/23/98/1048732398.db2.gz JBBUFZBKTNPPCB-UHFFFAOYSA-N 1 0 325.839 4.365 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](c1ncccc1Cl)C1CC1 ZINC001171201102 1048751354 /nfs/dbraw/zinc/75/13/54/1048751354.db2.gz HWVUKGUROLNTMF-FZKQIMNGSA-N 1 0 325.843 4.279 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)C1 ZINC000845939417 1048767840 /nfs/dbraw/zinc/76/78/40/1048767840.db2.gz OVYGZZUXLGGHBP-PXNSSMCTSA-N 1 0 349.478 4.193 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC(C(F)(F)F)C(F)(F)F ZINC001171204547 1048786554 /nfs/dbraw/zinc/78/65/54/1048786554.db2.gz YXRQQXVEKZSTFQ-SNVBAGLBSA-N 1 0 338.295 4.210 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC[C@]2(C)C[C@]2(F)Cl)cc1OC ZINC000846034143 1048800957 /nfs/dbraw/zinc/80/09/57/1048800957.db2.gz HOYCJNSTXWJYKW-IAGOWNOFSA-N 1 0 327.827 4.054 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC[C@@]2(C)C[C@@]2(F)Cl)cc1OC ZINC000846034145 1048801468 /nfs/dbraw/zinc/80/14/68/1048801468.db2.gz HOYCJNSTXWJYKW-IRXDYDNUSA-N 1 0 327.827 4.054 20 30 EIEDRO COC1([C@@H](C)[NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)CCC1 ZINC001171208966 1048807028 /nfs/dbraw/zinc/80/70/28/1048807028.db2.gz XFNUNVQNKWGOON-LJQANCHMSA-N 1 0 348.490 4.434 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1ncccc1C(F)(F)F ZINC001171211449 1048809485 /nfs/dbraw/zinc/80/94/85/1048809485.db2.gz ZUGMRLXRHRZFKF-CYBMUJFWSA-N 1 0 333.357 4.035 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000920944097 1048817412 /nfs/dbraw/zinc/81/74/12/1048817412.db2.gz PQZQADXYDAULIC-PKIWBCANSA-N 1 0 328.843 4.302 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@H](c2ccccc2)[NH+](CC)CC)c1 ZINC000920944027 1048817867 /nfs/dbraw/zinc/81/78/67/1048817867.db2.gz NSMIHDACLZHYJP-AREJXAQWSA-N 1 0 340.467 4.293 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000846102927 1048820747 /nfs/dbraw/zinc/82/07/47/1048820747.db2.gz QZNMHLZVXWVJML-GXTWGEPZSA-N 1 0 327.255 4.041 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)N1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001171220996 1048856820 /nfs/dbraw/zinc/85/68/20/1048856820.db2.gz GVXLUXWXRUFLFI-LJQANCHMSA-N 1 0 347.506 4.086 20 30 EIEDRO Cc1cccc(OC2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171222962 1048858039 /nfs/dbraw/zinc/85/80/39/1048858039.db2.gz KIOFEAWPZCGWKR-SFHVURJKSA-N 1 0 334.463 4.341 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)N1CCOC[C@@H]1c1ccccc1Cl ZINC001171230691 1048869803 /nfs/dbraw/zinc/86/98/03/1048869803.db2.gz GCAYSIJQBRTYEI-MGPUTAFESA-N 1 0 340.854 4.216 20 30 EIEDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171233011 1048872588 /nfs/dbraw/zinc/87/25/88/1048872588.db2.gz YPSYNCIYJXPIHA-KKSFZXQISA-N 1 0 348.446 4.113 20 30 EIEDRO C=CCCCN(C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000076485135 1048888444 /nfs/dbraw/zinc/88/84/44/1048888444.db2.gz JCHYJIZXEBPYFQ-UHFFFAOYSA-N 1 0 336.479 4.357 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CC2(CCO)CCCCC2)ccc1OC ZINC000237333287 1048926231 /nfs/dbraw/zinc/92/62/31/1048926231.db2.gz YQUPEALBSJQRMF-UHFFFAOYSA-N 1 0 347.499 4.073 20 30 EIEDRO N#CCCC[C@H]([NH2+]Cc1c[nH]c(=O)c2ccccc12)c1ccccc1 ZINC001170623307 1048929582 /nfs/dbraw/zinc/92/95/82/1048929582.db2.gz OUQZBMJRYZUAED-FQEVSTJZSA-N 1 0 331.419 4.465 20 30 EIEDRO C=CCCC[N@@H+](C)[C@H](C)c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000076801920 1048945399 /nfs/dbraw/zinc/94/53/99/1048945399.db2.gz ZDEFBLJKEVFYCY-QWHCGFSZSA-N 1 0 345.512 4.068 20 30 EIEDRO C=C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1ccccc1 ZINC001132619142 1048952887 /nfs/dbraw/zinc/95/28/87/1048952887.db2.gz NCXYOIDHNPNDLZ-GHTZIAJQSA-N 1 0 340.511 4.260 20 30 EIEDRO Cc1ncc(Cl)cc1NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277527 1049023523 /nfs/dbraw/zinc/02/35/23/1049023523.db2.gz OAWJOXRMFUAXAN-UHFFFAOYSA-N 1 0 340.858 4.014 20 30 EIEDRO Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818230144 1049117327 /nfs/dbraw/zinc/11/73/27/1049117327.db2.gz NBYOUUFKZYBLFY-GXTWGEPZSA-N 1 0 349.265 4.269 20 30 EIEDRO C#C[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000811516209 1049128947 /nfs/dbraw/zinc/12/89/47/1049128947.db2.gz GVNDMWSCXLZVBB-FQEVSTJZSA-N 1 0 330.903 4.401 20 30 EIEDRO CC[C@H](C)C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000609540572 1049142453 /nfs/dbraw/zinc/14/24/53/1049142453.db2.gz FCVMJIRKPJRYGL-AWEZNQCLSA-N 1 0 347.528 4.195 20 30 EIEDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1c(Cl)cccc1Cl ZINC000818998503 1049227695 /nfs/dbraw/zinc/22/76/95/1049227695.db2.gz HUMYQZDJOOJKJA-YVEFUNNKSA-N 1 0 349.261 4.292 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+]CC2(c3cccs3)CCCCC2)cc1 ZINC000819091534 1049249883 /nfs/dbraw/zinc/24/98/83/1049249883.db2.gz HIMJSMUSRFTZGU-SFHVURJKSA-N 1 0 340.492 4.145 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2nc3c(cc2C#N)CCC3)CC1 ZINC000609704405 1049274529 /nfs/dbraw/zinc/27/45/29/1049274529.db2.gz XYPRWKOXUBULRY-MRXNPFEDSA-N 1 0 346.478 4.079 20 30 EIEDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819194921 1049279425 /nfs/dbraw/zinc/27/94/25/1049279425.db2.gz VAFYAUNQHSXMQU-SGTLLEGYSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000819252556 1049280111 /nfs/dbraw/zinc/28/01/11/1049280111.db2.gz UEPIPLOWMKFMCN-ACJLOTCBSA-N 1 0 348.368 4.004 20 30 EIEDRO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cc(C)c1C#N ZINC001136205073 1049296107 /nfs/dbraw/zinc/29/61/07/1049296107.db2.gz KYGFPXQSMAEVCK-UHFFFAOYSA-N 1 0 347.462 4.413 20 30 EIEDRO C=C(CC(C)C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001136222052 1049313620 /nfs/dbraw/zinc/31/36/20/1049313620.db2.gz GBMHPXIGMQSFPK-QGZVFWFLSA-N 1 0 328.500 4.137 20 30 EIEDRO CC(C)Oc1ccc(C(=O)NCC[PH+](C(C)C)C(C)C)cc1C#N ZINC001148779137 1049368797 /nfs/dbraw/zinc/36/87/97/1049368797.db2.gz GUSWSCBRJHFCEN-UHFFFAOYSA-N 1 0 348.427 4.374 20 30 EIEDRO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(F)cc1 ZINC000820162602 1049447118 /nfs/dbraw/zinc/44/71/18/1049447118.db2.gz YOBCMJPEPNYQBC-OAHLLOKOSA-N 1 0 325.836 4.262 20 30 EIEDRO COc1cccc(O)c1/C=N/Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000812402812 1049451116 /nfs/dbraw/zinc/45/11/16/1049451116.db2.gz ISJWCPXXJYBHFR-PXLXIMEGSA-N 1 0 338.451 4.006 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H]2CCc3c(F)cc(F)cc3C2)ccc1Cl ZINC001171359375 1049508093 /nfs/dbraw/zinc/50/80/93/1049508093.db2.gz CVEFDSIFNVANHF-OAHLLOKOSA-N 1 0 332.781 4.137 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000773029102 1049538963 /nfs/dbraw/zinc/53/89/63/1049538963.db2.gz BKJGDFFBMVEWDD-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO C#CCCCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000773033265 1049545968 /nfs/dbraw/zinc/54/59/68/1049545968.db2.gz AEPHXERVWXNKPT-LLVKDONJSA-N 1 0 333.325 4.344 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000773060493 1049559142 /nfs/dbraw/zinc/55/91/42/1049559142.db2.gz QRRIFVHMAOTTRY-FZKQIMNGSA-N 1 0 327.811 4.136 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)cc1C#N ZINC000773078278 1049567322 /nfs/dbraw/zinc/56/73/22/1049567322.db2.gz WAKFQJZTQDWIQI-GOSISDBHSA-N 1 0 326.827 4.387 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C)c1ccc(F)cc1 ZINC000812793433 1049588421 /nfs/dbraw/zinc/58/84/21/1049588421.db2.gz TZTDFTPVGMMTAE-APWZRJJASA-N 1 0 338.426 4.124 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2cnc(-c3ccco3)s2)c1 ZINC000821022065 1049590455 /nfs/dbraw/zinc/59/04/55/1049590455.db2.gz NPQWVXSWTILFJM-HJWRWDBZSA-N 1 0 338.432 4.361 20 30 EIEDRO CC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848015 1049610495 /nfs/dbraw/zinc/61/04/95/1049610495.db2.gz HPNZDDYZNKRZMV-UWJYYQICSA-N 1 0 336.479 4.432 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000511027102 1049620011 /nfs/dbraw/zinc/62/00/11/1049620011.db2.gz HWFUDPFCSMXBFS-QKDPSFTKSA-N 1 0 346.474 4.374 20 30 EIEDRO C=C[C@@H](CC(=O)NC[C@H]1CCCC[N@H+]1CCCC)c1ccccc1 ZINC001136465941 1049663787 /nfs/dbraw/zinc/66/37/87/1049663787.db2.gz ZEKFHFDODUHLHM-AZUAARDMSA-N 1 0 328.500 4.117 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2cc(C)ccc2OC(F)F)cc1 ZINC000237690109 1049705518 /nfs/dbraw/zinc/70/55/18/1049705518.db2.gz ZSQSXERLTLYWPX-UHFFFAOYSA-N 1 0 345.389 4.288 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@H](c3ccc(Cl)cc3)C3CC3)n2c1 ZINC000237745024 1049737033 /nfs/dbraw/zinc/73/70/33/1049737033.db2.gz ULTNZYDBDMLBMR-IBGZPJMESA-N 1 0 336.826 4.100 20 30 EIEDRO CC(C)([NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccc(C#N)cc1 ZINC001171506048 1049738770 /nfs/dbraw/zinc/73/87/70/1049738770.db2.gz PIPXHDCIKPREGI-HNNXBMFYSA-N 1 0 344.380 4.358 20 30 EIEDRO N#CC12CCC([NH2+][C@H]3CCc4cc(F)c(F)c(F)c4C3)(CC1)CC2 ZINC001171512135 1049742811 /nfs/dbraw/zinc/74/28/11/1049742811.db2.gz NDSCZNGMLNDEFA-MDAWKPQNSA-N 1 0 334.385 4.167 20 30 EIEDRO CC[N@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171602890 1049764897 /nfs/dbraw/zinc/76/48/97/1049764897.db2.gz AFIGXWIRBHOSJA-JKSUJKDBSA-N 1 0 337.508 4.036 20 30 EIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H](C)CCc1ccc(C)cc1)C2 ZINC001171672687 1049775692 /nfs/dbraw/zinc/77/56/92/1049775692.db2.gz CXFGSUWOXVVPTA-BVSLBCMMSA-N 1 0 343.511 4.142 20 30 EIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H](C)CCc1ccc(C)cc1)C2 ZINC001171672688 1049776120 /nfs/dbraw/zinc/77/61/20/1049776120.db2.gz CXFGSUWOXVVPTA-HJNYFJLDSA-N 1 0 343.511 4.142 20 30 EIEDRO C#CCCCCCC[N@H+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001171827280 1049802868 /nfs/dbraw/zinc/80/28/68/1049802868.db2.gz LDEXMXWPEITTJL-UHFFFAOYSA-N 1 0 334.504 4.044 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1CCC(C2CC2)CC1)C(C)C ZINC001136650318 1049811145 /nfs/dbraw/zinc/81/11/45/1049811145.db2.gz WXTQUWOIHIIVAU-SOAGJPPSSA-N 1 0 332.532 4.018 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC001171847280 1049812712 /nfs/dbraw/zinc/81/27/12/1049812712.db2.gz KWTPAPQTMFHBJQ-STQMWFEESA-N 1 0 347.459 4.051 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cnc(-c2ccccc2OC)nc1)c1ccccc1 ZINC000813773619 1049814816 /nfs/dbraw/zinc/81/48/16/1049814816.db2.gz AHLOEVBOPFYNEE-HXUWFJFHSA-N 1 0 343.430 4.006 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001171921054 1049816208 /nfs/dbraw/zinc/81/62/08/1049816208.db2.gz QWDVHNZZWYEUPF-XOKHGSTOSA-N 1 0 327.390 4.463 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC001171920949 1049816320 /nfs/dbraw/zinc/81/63/20/1049816320.db2.gz PFMADIDUCDDEBE-RHSMWYFYSA-N 1 0 344.890 4.360 20 30 EIEDRO C=C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC001171886383 1049816331 /nfs/dbraw/zinc/81/63/31/1049816331.db2.gz MADIBBVSTYGBDC-LEWJYISDSA-N 1 0 334.463 4.198 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000813789063 1049816659 /nfs/dbraw/zinc/81/66/59/1049816659.db2.gz IARXKJOPRGOCHP-NOTZXAQLSA-N 1 0 345.490 4.234 20 30 EIEDRO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCC(C)(C(=O)OCC)CC1 ZINC001171956223 1049821205 /nfs/dbraw/zinc/82/12/05/1049821205.db2.gz PZBQJXJZAKAHPB-AATLZSDMSA-N 1 0 339.479 4.121 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccccc1OC(F)F ZINC000615966682 1049823167 /nfs/dbraw/zinc/82/31/67/1049823167.db2.gz HGXZZLNMYQSBNJ-SFHVURJKSA-N 1 0 342.389 4.369 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC001171921788 1049828140 /nfs/dbraw/zinc/82/81/40/1049828140.db2.gz XHXOHBLUKVQDLS-JQWIXIFHSA-N 1 0 335.801 4.317 20 30 EIEDRO C#CC(C)(C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172059990 1049842364 /nfs/dbraw/zinc/84/23/64/1049842364.db2.gz NJFONHVJICJUAH-INIZCTEOSA-N 1 0 334.504 4.090 20 30 EIEDRO CCCN(CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172073552 1049844262 /nfs/dbraw/zinc/84/42/62/1049844262.db2.gz AFYPNLMERQRSMX-AERCQKQUSA-N 1 0 325.500 4.198 20 30 EIEDRO N#CC1(CC(=O)NCCCCCCC[NH+]2CCCC2)CCCCC1 ZINC000823434935 1049846554 /nfs/dbraw/zinc/84/65/54/1049846554.db2.gz OQAGDJQAZWABKH-UHFFFAOYSA-N 1 0 333.520 4.013 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000823616828 1049863301 /nfs/dbraw/zinc/86/33/01/1049863301.db2.gz CCJBUJOEXBWJLM-KZULUSFZSA-N 1 0 332.806 4.077 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000823616592 1049863441 /nfs/dbraw/zinc/86/34/41/1049863441.db2.gz ATKOQWMFXMLYRQ-FZKQIMNGSA-N 1 0 348.368 4.303 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC001172301840 1049873006 /nfs/dbraw/zinc/87/30/06/1049873006.db2.gz YBDPCSUBBWTTIJ-SJCJKPOMSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CCO)c1cccc2ccccc21 ZINC001172301679 1049873125 /nfs/dbraw/zinc/87/31/25/1049873125.db2.gz UGTHGQRUYVPTJG-UZUQRXQVSA-N 1 0 344.458 4.356 20 30 EIEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172310586 1049874677 /nfs/dbraw/zinc/87/46/77/1049874677.db2.gz GITNBRMFVPZTKT-AVRDEDQJSA-N 1 0 348.490 4.453 20 30 EIEDRO Cc1cccc(OC2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172310556 1049874991 /nfs/dbraw/zinc/87/49/91/1049874991.db2.gz GGDNKVVGQBVMGJ-GOSISDBHSA-N 1 0 334.463 4.341 20 30 EIEDRO COC1(c2ccccc2)CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172310907 1049875444 /nfs/dbraw/zinc/87/54/44/1049875444.db2.gz LLKKRGFLFMTOFL-SFHVURJKSA-N 1 0 334.463 4.127 20 30 EIEDRO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172312806 1049875683 /nfs/dbraw/zinc/87/56/83/1049875683.db2.gz JQRKIXBGPIRFJC-UTKZUKDTSA-N 1 0 334.463 4.473 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC001172289293 1049880661 /nfs/dbraw/zinc/88/06/61/1049880661.db2.gz BGCLQNSJUQWTPD-CYBMUJFWSA-N 1 0 334.341 4.178 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCSCc1ccc(F)cc1 ZINC001172294394 1049881617 /nfs/dbraw/zinc/88/16/17/1049881617.db2.gz IYVGSVAUXPVBIO-OAHLLOKOSA-N 1 0 328.456 4.151 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(O[C@H](C#N)CC)c1)C1CCCC1 ZINC000823848065 1049881704 /nfs/dbraw/zinc/88/17/04/1049881704.db2.gz PQJXTRZNXZASKX-ZWKOTPCHSA-N 1 0 330.472 4.435 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Br)cc1F ZINC001172292665 1049881701 /nfs/dbraw/zinc/88/17/01/1049881701.db2.gz QDFYYQLOZBZEOP-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CO)c1ccc(Cl)cc1Cl ZINC001172293097 1049881896 /nfs/dbraw/zinc/88/18/96/1049881896.db2.gz BFGXDGGCUXCQHT-KZULUSFZSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)Nc1ccc(C[NH3+])cc1C(F)(F)F ZINC001172297396 1049882857 /nfs/dbraw/zinc/88/28/57/1049882857.db2.gz PCBGYZPCKDWECW-GFCCVEGCSA-N 1 0 333.357 4.079 20 30 EIEDRO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)[C@@H]2CC ZINC001172373455 1049884100 /nfs/dbraw/zinc/88/41/00/1049884100.db2.gz MPHWIZYYOOLQOZ-HZVKZAKPSA-N 1 0 332.532 4.233 20 30 EIEDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC001171035449 1049886289 /nfs/dbraw/zinc/88/62/89/1049886289.db2.gz BIGSTFQZGDOFHT-YVEFUNNKSA-N 1 0 333.863 4.097 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(Cl)c3)CC2)cc1 ZINC000180373701 1049886363 /nfs/dbraw/zinc/88/63/63/1049886363.db2.gz XTVCUZLVUODZPX-UHFFFAOYSA-N 1 0 325.843 4.288 20 30 EIEDRO CC[C@H](C)OCC[C@@H](C)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001172338152 1049888033 /nfs/dbraw/zinc/88/80/33/1049888033.db2.gz AKBHNTNRLQDWOT-MSOLQXFVSA-N 1 0 328.500 4.406 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC001172346788 1049890410 /nfs/dbraw/zinc/89/04/10/1049890410.db2.gz MFKHNKUUKQBEBW-KRWDZBQOSA-N 1 0 325.518 4.319 20 30 EIEDRO CCCCCCC[C@@H](CC)n1ccncc1=N[C@H]1CC[C@H]([NH3+])CC1 ZINC001172350196 1049891186 /nfs/dbraw/zinc/89/11/86/1049891186.db2.gz LTTUBFUMDONNMC-GUDVDZBRSA-N 1 0 332.536 4.365 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001172354247 1049893137 /nfs/dbraw/zinc/89/31/37/1049893137.db2.gz FTJIZMKPWFMWQO-RBUKOAKNSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@H](CC)[N@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001172357639 1049894214 /nfs/dbraw/zinc/89/42/14/1049894214.db2.gz LFCOTNMBJQOOCP-OALUTQOASA-N 1 0 335.536 4.495 20 30 EIEDRO C[C@@H](CCCC#N)n1cc(CC[NH3+])c2cc(Br)ccc21 ZINC001172483360 1049911282 /nfs/dbraw/zinc/91/12/82/1049911282.db2.gz PTUVGTDMWWXNKM-LBPRGKRZSA-N 1 0 334.261 4.160 20 30 EIEDRO C[C@H](CCCC#N)[NH2+][C@H]1CSc2ccc(Br)cc2C1 ZINC001172490809 1049920874 /nfs/dbraw/zinc/92/08/74/1049920874.db2.gz LDHLUUNQEOHYHX-BXUZGUMPSA-N 1 0 339.302 4.138 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC001172489469 1049921053 /nfs/dbraw/zinc/92/10/53/1049921053.db2.gz SRBGSCFVQIOZOM-AWEZNQCLSA-N 1 0 337.870 4.115 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C[C@]1(CC2CC2)CCCN1C(=O)OC(C)(C)C ZINC001172492639 1049922047 /nfs/dbraw/zinc/92/20/47/1049922047.db2.gz NGQPQQXTBQNCBG-OXJNMPFZSA-N 1 0 349.519 4.228 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC001172492478 1049922103 /nfs/dbraw/zinc/92/21/03/1049922103.db2.gz LPHFVXYHERQDTO-ZDUSSCGKSA-N 1 0 326.271 4.198 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001172496222 1049922222 /nfs/dbraw/zinc/92/22/22/1049922222.db2.gz KVWJJZLOUWANDZ-YLJYHZDGSA-N 1 0 349.519 4.324 20 30 EIEDRO CC(C)C[C@H]1C[N@@H+]([C@@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172501890 1049923466 /nfs/dbraw/zinc/92/34/66/1049923466.db2.gz SDZHIOKMYZOHQX-IRXDYDNUSA-N 1 0 337.508 4.036 20 30 EIEDRO CCCCCCCC[C@H](CC)[N@@H+]1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001172505241 1049924242 /nfs/dbraw/zinc/92/42/42/1049924242.db2.gz KWLUYUAFVIBWBG-CADBVGFASA-N 1 0 339.520 4.168 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH+]1CC([C@H](N)C(=O)OC(C)(C)C)C1 ZINC001172504853 1049924637 /nfs/dbraw/zinc/92/46/37/1049924637.db2.gz HLMHUWLVUJJFKI-ROUUACIJSA-N 1 0 340.552 4.116 20 30 EIEDRO C[C@H](CCCC#N)[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172506912 1049925246 /nfs/dbraw/zinc/92/52/46/1049925246.db2.gz LWGHLQRWIZZMPO-MRXNPFEDSA-N 1 0 337.508 4.038 20 30 EIEDRO CCCCCCC[C@H](CCC)[N@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172509083 1049925347 /nfs/dbraw/zinc/92/53/47/1049925347.db2.gz SEZMIFDKNXBIND-MOPGFXCFSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH+]1CC([C@@H](N)C(=O)OC(C)(C)C)C1 ZINC001172508246 1049925377 /nfs/dbraw/zinc/92/53/77/1049925377.db2.gz HYKXOAOGOCVWMK-QZTJIDSGSA-N 1 0 340.552 4.116 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001172508530 1049925384 /nfs/dbraw/zinc/92/53/84/1049925384.db2.gz LNRJSNSDSDWTJK-WOJBJXKFSA-N 1 0 345.531 4.415 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001172506791 1049925808 /nfs/dbraw/zinc/92/58/08/1049925808.db2.gz JGOHICZNJKWJTB-CQSZACIVSA-N 1 0 340.298 4.193 20 30 EIEDRO CCCCCCC[C@@H](CCC)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001172510731 1049926693 /nfs/dbraw/zinc/92/66/93/1049926693.db2.gz IHNLDKNRUQVUCH-VQTJNVASSA-N 1 0 348.579 4.406 20 30 EIEDRO N#Cc1ccccc1N1CC[NH+]([C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172557900 1049932319 /nfs/dbraw/zinc/93/23/19/1049932319.db2.gz RTKUQVORFKACEI-CTNGQTDRSA-N 1 0 331.463 4.017 20 30 EIEDRO N#Cc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](c4ccccc4)C3)CC2)c(F)c1 ZINC001172567232 1049937168 /nfs/dbraw/zinc/93/71/68/1049937168.db2.gz BZBRPQFXUYNPBF-WOJBJXKFSA-N 1 0 349.453 4.156 20 30 EIEDRO CCCC[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C ZINC001172621993 1049959425 /nfs/dbraw/zinc/95/94/25/1049959425.db2.gz KKUOZDMTAFXPLF-SJORKVTESA-N 1 0 349.519 4.228 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3n2CC)cc1 ZINC000180993475 1049975137 /nfs/dbraw/zinc/97/51/37/1049975137.db2.gz WPQIVXKMIPEPAH-IRXDYDNUSA-N 1 0 347.462 4.480 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1 ZINC000181214609 1050050386 /nfs/dbraw/zinc/05/03/86/1050050386.db2.gz WAXUWWGFPPSTGI-LBPRGKRZSA-N 1 0 338.760 4.456 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccsc1 ZINC000181491159 1050149253 /nfs/dbraw/zinc/14/92/53/1050149253.db2.gz TZWSWISKZUVILU-BEFAXECRSA-N 1 0 327.497 4.353 20 30 EIEDRO CCC(CC)[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCC1 ZINC001177199559 1050159823 /nfs/dbraw/zinc/15/98/23/1050159823.db2.gz LUBJAWSCGKHVLJ-NRFANRHFSA-N 1 0 341.543 4.478 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3c(F)cc(C#N)cc3F)cc2)CC1 ZINC001212690725 1050204018 /nfs/dbraw/zinc/20/40/18/1050204018.db2.gz UEMHRMHMWJQVKD-UHFFFAOYSA-N 1 0 327.378 4.389 20 30 EIEDRO C[C@@H](COc1cccc(F)c1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001177446526 1050223124 /nfs/dbraw/zinc/22/31/24/1050223124.db2.gz RJVZICOUHFIJNQ-HNNXBMFYSA-N 1 0 326.415 4.184 20 30 EIEDRO N#Cc1cccnc1NCC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC001177506516 1050232503 /nfs/dbraw/zinc/23/25/03/1050232503.db2.gz PBGYEQRWTLKZOB-AZUAARDMSA-N 1 0 334.467 4.071 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3c(F)cc(F)cc3C#N)cc2)CC1 ZINC001212691641 1050239614 /nfs/dbraw/zinc/23/96/14/1050239614.db2.gz WZOGCEZXKXIZSG-UHFFFAOYSA-N 1 0 327.378 4.389 20 30 EIEDRO CCCCCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172975993 1050250411 /nfs/dbraw/zinc/25/04/11/1050250411.db2.gz KPRYCPBUUMFJEJ-IKGGRYGDSA-N 1 0 337.508 4.227 20 30 EIEDRO CCCC[C@H](CC)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172976084 1050250528 /nfs/dbraw/zinc/25/05/28/1050250528.db2.gz LYANOJSNCXYTOA-ULQDDVLXSA-N 1 0 337.508 4.084 20 30 EIEDRO CCCCCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172975992 1050251203 /nfs/dbraw/zinc/25/12/03/1050251203.db2.gz KPRYCPBUUMFJEJ-BBWFWOEESA-N 1 0 337.508 4.227 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(C)(C)C)CC2)C[C@H]1C#N ZINC001172980178 1050254531 /nfs/dbraw/zinc/25/45/31/1050254531.db2.gz LHMXWOCPWGZZRP-IRXDYDNUSA-N 1 0 349.519 4.036 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C(C)(C)C2CCCCC2)C[C@H]1C#N ZINC001172981934 1050254826 /nfs/dbraw/zinc/25/48/26/1050254826.db2.gz QGUPOERJHNZLTP-SJORKVTESA-N 1 0 349.519 4.227 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]C1(CC#N)CCCC1 ZINC001173091035 1050283023 /nfs/dbraw/zinc/28/30/23/1050283023.db2.gz OKGUWZBAHRFTPA-ZDUSSCGKSA-N 1 0 326.362 4.332 20 30 EIEDRO C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1cccc(C#N)c1 ZINC000181665740 1050294740 /nfs/dbraw/zinc/29/47/40/1050294740.db2.gz UOJIHNGRXZZSRW-CQSZACIVSA-N 1 0 325.481 4.177 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000181718202 1050312121 /nfs/dbraw/zinc/31/21/21/1050312121.db2.gz XYJDYGAEJUEXBS-HNNXBMFYSA-N 1 0 338.451 4.204 20 30 EIEDRO C=CCN1CC[C@]2(CCC[N@@H+](C3CCC4(CCCCC4)CC3)C2)C1=O ZINC001173116430 1050312307 /nfs/dbraw/zinc/31/23/07/1050312307.db2.gz NRNHWFRUARKDQM-QFIPXVFZSA-N 1 0 344.543 4.380 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)cs1 ZINC001177924997 1050330237 /nfs/dbraw/zinc/33/02/37/1050330237.db2.gz UTJJLEXCMCSUAX-AWEZNQCLSA-N 1 0 331.872 4.032 20 30 EIEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000181838515 1050349091 /nfs/dbraw/zinc/34/90/91/1050349091.db2.gz ULTIAVAAZCLHTN-UONOGXRCSA-N 1 0 330.378 4.321 20 30 EIEDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001173228452 1050356451 /nfs/dbraw/zinc/35/64/51/1050356451.db2.gz XBNQLSYLOOHNFH-INIZCTEOSA-N 1 0 349.434 4.277 20 30 EIEDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001173231859 1050358991 /nfs/dbraw/zinc/35/89/91/1050358991.db2.gz OASIFNPCBRNWKE-INIZCTEOSA-N 1 0 349.434 4.277 20 30 EIEDRO C=CCOCc1nn(C)c2c1C[N@H+]([C@H](CCCC)CC(C)C)CC2 ZINC001173259975 1050385658 /nfs/dbraw/zinc/38/56/58/1050385658.db2.gz KDLBHPADKVXVMI-QGZVFWFLSA-N 1 0 333.520 4.086 20 30 EIEDRO CCc1ccc(C[C@@H](C)NC(=[NH2+])c2ccc3cc(O)ccc3c2)cc1 ZINC001173237950 1050394195 /nfs/dbraw/zinc/39/41/95/1050394195.db2.gz HAFFPWVOCTZILW-OAHLLOKOSA-N 1 0 332.447 4.444 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000181956332 1050396273 /nfs/dbraw/zinc/39/62/73/1050396273.db2.gz QAXNVTUPWVHIKO-BEFAXECRSA-N 1 0 349.434 4.099 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)c1cccc(C#N)c1 ZINC000181980884 1050401173 /nfs/dbraw/zinc/40/11/73/1050401173.db2.gz MBSRTRDDRABTAO-HNNXBMFYSA-N 1 0 336.435 4.364 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC001173307901 1050402809 /nfs/dbraw/zinc/40/28/09/1050402809.db2.gz AEYDFDJWSMVCND-UHFFFAOYSA-N 1 0 330.291 4.114 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001173314023 1050404068 /nfs/dbraw/zinc/40/40/68/1050404068.db2.gz HTYCMBGELKGMQA-UHFFFAOYSA-N 1 0 343.389 4.231 20 30 EIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001173284935 1050412491 /nfs/dbraw/zinc/41/24/91/1050412491.db2.gz LQYAIFAFRPGYDH-QZTJIDSGSA-N 1 0 331.566 4.320 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc2ccccc2c1)c1ccc(OCC#N)cc1 ZINC000182001198 1050413200 /nfs/dbraw/zinc/41/32/00/1050413200.db2.gz OUHVKYQSZPSPCJ-QGZVFWFLSA-N 1 0 346.430 4.472 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCSC[C@@H]2c2cccc(OC)c2)CC1 ZINC001173323368 1050414977 /nfs/dbraw/zinc/41/49/77/1050414977.db2.gz FAATYPKOMBMJDC-AFMYVXGZSA-N 1 0 347.524 4.299 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC3(CCc4ccccc4O3)CC2)CC1 ZINC001173323430 1050415379 /nfs/dbraw/zinc/41/53/79/1050415379.db2.gz YINRLEHXLDBDQW-UHFFFAOYSA-N 1 0 341.495 4.360 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](Oc3ccccc3OC)C2)CC1 ZINC001173320649 1050415645 /nfs/dbraw/zinc/41/56/45/1050415645.db2.gz QMZUGRQSINOHEH-ACBHZAAOSA-N 1 0 345.483 4.052 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC001173323933 1050418238 /nfs/dbraw/zinc/41/82/38/1050418238.db2.gz DVDBHADTYBMKED-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173324513 1050418495 /nfs/dbraw/zinc/41/84/95/1050418495.db2.gz OQJIOQCEMKEZQK-FCCDEINASA-N 1 0 349.519 4.084 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(CC#N)CC2)CCN1Cc1ccccc1 ZINC001173327708 1050419694 /nfs/dbraw/zinc/41/96/94/1050419694.db2.gz HHNXGFPYLDMSLW-AXIYNFMDSA-N 1 0 325.500 4.102 20 30 EIEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1CC[NH2+]C1CCC(CC#N)CC1 ZINC001173330187 1050420121 /nfs/dbraw/zinc/42/01/21/1050420121.db2.gz XUAXDEUVZYEDRP-DAWZGUTISA-N 1 0 349.519 4.228 20 30 EIEDRO COc1ccc(Br)cc1C[NH2+]C1CCC(CC#N)CC1 ZINC001173330297 1050420168 /nfs/dbraw/zinc/42/01/68/1050420168.db2.gz NUNRJJAOZCGMCW-UHFFFAOYSA-N 1 0 337.261 4.020 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC001173330885 1050420697 /nfs/dbraw/zinc/42/06/97/1050420697.db2.gz WPVRZCAPBKZPOZ-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cncn2Cc2ccccc2Cl)CC1 ZINC001173333773 1050421827 /nfs/dbraw/zinc/42/18/27/1050421827.db2.gz QKOFLRLMSKSZHB-UHFFFAOYSA-N 1 0 342.874 4.147 20 30 EIEDRO N#CCC1CCC([NH2+][C@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC001173332870 1050422688 /nfs/dbraw/zinc/42/26/88/1050422688.db2.gz VFMNBMKEMPWCFO-PFWSDMIYSA-N 1 0 333.273 4.367 20 30 EIEDRO COC(=O)[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC001173336749 1050425184 /nfs/dbraw/zinc/42/51/84/1050425184.db2.gz KEUXMBTXKPJPPQ-RDVQEIBISA-N 1 0 340.467 4.085 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173334553 1050425261 /nfs/dbraw/zinc/42/52/61/1050425261.db2.gz UOCXBHQFMRXVEC-JCYILVPMSA-N 1 0 349.519 4.084 20 30 EIEDRO CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(CC#N)CC1 ZINC001173341520 1050429958 /nfs/dbraw/zinc/42/99/58/1050429958.db2.gz YMUFBPUVIIHCPG-ADKAHSJRSA-N 1 0 349.519 4.038 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cccc(Br)c2C)CC1 ZINC001173317313 1050441367 /nfs/dbraw/zinc/44/13/67/1050441367.db2.gz VNQOXWAXTTYPBC-UHFFFAOYSA-N 1 0 338.289 4.361 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC001203277004 1050444137 /nfs/dbraw/zinc/44/41/37/1050444137.db2.gz XODARVRBAAQFNS-LJQANCHMSA-N 1 0 347.886 4.181 20 30 EIEDRO C=CCCn1cc(C[NH2+]CC(C)(C)c2ccc(C(C)(C)C)cc2)nn1 ZINC001178382847 1050448578 /nfs/dbraw/zinc/44/85/78/1050448578.db2.gz QWYLBVVEXBKGLT-UHFFFAOYSA-N 1 0 340.515 4.219 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCN(c3ccccc3F)C2)c1 ZINC001178383190 1050449923 /nfs/dbraw/zinc/44/99/23/1050449923.db2.gz XJFDAVGTTQBEGZ-SFHVURJKSA-N 1 0 340.442 4.149 20 30 EIEDRO COc1cccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182055903 1050450462 /nfs/dbraw/zinc/45/04/62/1050450462.db2.gz HNLIXSVKWUTSDN-INIZCTEOSA-N 1 0 338.451 4.226 20 30 EIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@@H]1OC ZINC001178360667 1050453259 /nfs/dbraw/zinc/45/32/59/1050453259.db2.gz OIZAQEJIXQHWGI-LZQZEXGQSA-N 1 0 328.500 4.417 20 30 EIEDRO CCC1(CC)[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)[C@@H]1OC ZINC001178360662 1050454290 /nfs/dbraw/zinc/45/42/90/1050454290.db2.gz OIZAQEJIXQHWGI-IPELMVKDSA-N 1 0 328.500 4.417 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2)cc1OC ZINC000182090522 1050462652 /nfs/dbraw/zinc/46/26/52/1050462652.db2.gz XQSVMXANVFGLCH-HZPDHXFCSA-N 1 0 338.451 4.105 20 30 EIEDRO CC(C)[C@@H]1CN(c2cc(F)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC001187045945 1050467859 /nfs/dbraw/zinc/46/78/59/1050467859.db2.gz ZFRKLNYYWFJFHH-NRFANRHFSA-N 1 0 337.442 4.044 20 30 EIEDRO C[C@@H](CCc1ccc(Cl)c(Cl)c1)NC(=[NH2+])c1ccc(F)cn1 ZINC001173539581 1050475078 /nfs/dbraw/zinc/47/50/78/1050475078.db2.gz QGGOMLOMPCIVBU-JTQLQIEISA-N 1 0 340.229 4.254 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)nn1 ZINC001178462581 1050476294 /nfs/dbraw/zinc/47/62/94/1050476294.db2.gz HEWDDJLCSZVIDC-INIZCTEOSA-N 1 0 328.419 4.175 20 30 EIEDRO CC(C)[C@@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)Cc1ccccc1 ZINC001178519367 1050489026 /nfs/dbraw/zinc/48/90/26/1050489026.db2.gz SYQBGPUBXRKBKW-HXUWFJFHSA-N 1 0 335.495 4.229 20 30 EIEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586818 1050493396 /nfs/dbraw/zinc/49/33/96/1050493396.db2.gz ICCXPSNEHIFEFK-HMFCVHIJSA-N 1 0 349.519 4.084 20 30 EIEDRO Cc1csc([C@H]2C[C@@H]3CC[N@@H+](C4CCC(C)(C#N)CC4)C[C@H]3O2)n1 ZINC001173595535 1050497162 /nfs/dbraw/zinc/49/71/62/1050497162.db2.gz QQKRQMPATTUABX-BVOGREQHSA-N 1 0 345.512 4.076 20 30 EIEDRO Cc1cc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)ncc1Br ZINC001173593287 1050497287 /nfs/dbraw/zinc/49/72/87/1050497287.db2.gz LZFLGMBEYPQJIQ-FUJMWEONSA-N 1 0 336.277 4.276 20 30 EIEDRO C[C@@H]1[C@H](CNC(=O)OC(C)(C)C)CCC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173592348 1050497408 /nfs/dbraw/zinc/49/74/08/1050497408.db2.gz NCYZZIBONFCXJS-JFBVMJNESA-N 1 0 349.519 4.084 20 30 EIEDRO COc1cc(Cl)cc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)c1OC ZINC001173591884 1050497792 /nfs/dbraw/zinc/49/77/92/1050497792.db2.gz WHKKBJDAEHPXKX-DTVQEZCTSA-N 1 0 336.863 4.480 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC001173592374 1050497596 /nfs/dbraw/zinc/49/75/96/1050497596.db2.gz NJWRCXHVTPYHNG-GMRIPVOYSA-N 1 0 333.273 4.367 20 30 EIEDRO CN(C)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001173593222 1050497623 /nfs/dbraw/zinc/49/76/23/1050497623.db2.gz JFUVDWLLKLRHPK-NECZYXOUSA-N 1 0 343.559 4.195 20 30 EIEDRO COC[C@@H](C)[N@H+](Cc1cccc(OC)c1)C1CCC(C)(C#N)CC1 ZINC001173598678 1050498868 /nfs/dbraw/zinc/49/88/68/1050498868.db2.gz UCNBIDQTCPIAAQ-PPDQVPDSSA-N 1 0 330.472 4.005 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)CC1 ZINC001173597307 1050499643 /nfs/dbraw/zinc/49/96/43/1050499643.db2.gz ORKKHPSGMUSCPK-IOSXPMGOSA-N 1 0 329.875 4.075 20 30 EIEDRO CCOc1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1OCC ZINC000618742722 1050500283 /nfs/dbraw/zinc/50/02/83/1050500283.db2.gz QEYYROXEMGDNQL-IBGZPJMESA-N 1 0 336.435 4.133 20 30 EIEDRO COc1cccc(C[C@H]2CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173601077 1050501330 /nfs/dbraw/zinc/50/13/30/1050501330.db2.gz OGJBFBAYNDMGRT-LWEYNCJUSA-N 1 0 326.484 4.422 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1sccc1Br ZINC000618741369 1050501504 /nfs/dbraw/zinc/50/15/04/1050501504.db2.gz FPSWKPGDAXCZJM-AWEZNQCLSA-N 1 0 333.254 4.159 20 30 EIEDRO CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(C)(C#N)CC1 ZINC001173600880 1050501711 /nfs/dbraw/zinc/50/17/11/1050501711.db2.gz LSHAKCBJPPZKQK-VXESANQCSA-N 1 0 349.519 4.038 20 30 EIEDRO COc1ccc2cc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)ccc2c1 ZINC000618741319 1050501751 /nfs/dbraw/zinc/50/17/51/1050501751.db2.gz DTZAIABTZCKMHV-QFIPXVFZSA-N 1 0 328.415 4.497 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(Br)c1 ZINC000618742070 1050503827 /nfs/dbraw/zinc/50/38/27/1050503827.db2.gz QBBNYLDLYMGXTB-GOSISDBHSA-N 1 0 341.252 4.406 20 30 EIEDRO C[C@H]([NH2+]Cc1cncc(OCc2ccccc2)c1)c1cccc(C#N)c1 ZINC000618752552 1050507702 /nfs/dbraw/zinc/50/77/02/1050507702.db2.gz RGNAHPDGFQCSQJ-KRWDZBQOSA-N 1 0 343.430 4.383 20 30 EIEDRO CCCC[N@H+](CCC#N)C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173683261 1050530310 /nfs/dbraw/zinc/53/03/10/1050530310.db2.gz WPLMZVXIAMOQJR-HZPDHXFCSA-N 1 0 337.508 4.179 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618804078 1050532741 /nfs/dbraw/zinc/53/27/41/1050532741.db2.gz JZDMRGHGZHUEPR-RTBURBONSA-N 1 0 334.419 4.058 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)CC3 ZINC000618802808 1050533006 /nfs/dbraw/zinc/53/30/06/1050533006.db2.gz FXLKPBDWMPPWCM-DYESRHJHSA-N 1 0 341.458 4.482 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000618804073 1050533847 /nfs/dbraw/zinc/53/38/47/1050533847.db2.gz JZDMRGHGZHUEPR-MOPGFXCFSA-N 1 0 334.419 4.058 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccccc1OC(F)F ZINC000618807918 1050535430 /nfs/dbraw/zinc/53/54/30/1050535430.db2.gz YBOUFRMHNMQLTD-SJKOYZFVSA-N 1 0 328.362 4.498 20 30 EIEDRO N#Cc1ccc(C(=[NH2+])NC2CCC3(CCc4ccccc43)CC2)cc1 ZINC001173688091 1050540387 /nfs/dbraw/zinc/54/03/87/1050540387.db2.gz WNIWVSGEXXEIDA-UHFFFAOYSA-N 1 0 329.447 4.090 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC001178742707 1050540897 /nfs/dbraw/zinc/54/08/97/1050540897.db2.gz UVYRIOTTZLHGHM-CABCVRRESA-N 1 0 330.255 4.214 20 30 EIEDRO CCC1([NH+]2CCCCC2)CCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC001187462582 1050544736 /nfs/dbraw/zinc/54/47/36/1050544736.db2.gz CDRQCRPWGWEBHX-UHFFFAOYSA-N 1 0 346.906 4.150 20 30 EIEDRO N#CC1(C[NH2+][C@H]2CCc3ccc(OCc4ccccc4)cc3C2)CC1 ZINC001173708602 1050550840 /nfs/dbraw/zinc/55/08/40/1050550840.db2.gz SIAGTKDSVFFWPA-FQEVSTJZSA-N 1 0 332.447 4.016 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]C1CCC(CSC)CC1 ZINC001178795684 1050556255 /nfs/dbraw/zinc/55/62/55/1050556255.db2.gz MYBFJFWWRRWAMN-UHFFFAOYSA-N 1 0 337.916 4.363 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH2+]Cc3ccccc3C#N)CC2)cc1 ZINC001173782724 1050568022 /nfs/dbraw/zinc/56/80/22/1050568022.db2.gz JLYGIVPTHVRDCF-UHFFFAOYSA-N 1 0 348.446 4.300 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C(OC)OC)ccc1F ZINC001178939502 1050592556 /nfs/dbraw/zinc/59/25/56/1050592556.db2.gz HZPYQOVZGUOUEN-IBGZPJMESA-N 1 0 343.442 4.394 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC001179142436 1050633510 /nfs/dbraw/zinc/63/35/10/1050633510.db2.gz IERSQBAVZPJTOR-CJNGLKHVSA-N 1 0 348.288 4.321 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H](O)c2cccc3ccccc32)c1 ZINC001179122941 1050637301 /nfs/dbraw/zinc/63/73/01/1050637301.db2.gz IWDMKMMJRRRRBS-JOCHJYFZSA-N 1 0 333.431 4.228 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)c1ccc(C#N)cc1 ZINC000775157147 1050667749 /nfs/dbraw/zinc/66/77/49/1050667749.db2.gz QSHOODWNAFHMQH-AWEZNQCLSA-N 1 0 339.464 4.183 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001179375690 1050684897 /nfs/dbraw/zinc/68/48/97/1050684897.db2.gz DIHQMKHYMNKCTL-FKSLSLAPSA-N 1 0 348.531 4.499 20 30 EIEDRO Cc1ccc(-c2ncc(C[NH2+][C@H]3Cc4ccc(C#N)cc4C3)s2)cc1 ZINC001179418721 1050695254 /nfs/dbraw/zinc/69/52/54/1050695254.db2.gz AUDYMUFZNBNNHW-IBGZPJMESA-N 1 0 345.471 4.247 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cc1 ZINC001179516234 1050705718 /nfs/dbraw/zinc/70/57/18/1050705718.db2.gz VGMXCJBWUUMVBY-CQSZACIVSA-N 1 0 349.352 4.448 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]CCN(Cc2ccccc2)c2ccccn2)C1 ZINC001179525591 1050705920 /nfs/dbraw/zinc/70/59/20/1050705920.db2.gz RDMPBULIUOPAAH-FPOVZHCZSA-N 1 0 335.495 4.423 20 30 EIEDRO CSc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)cc1C#N ZINC001179583588 1050734409 /nfs/dbraw/zinc/73/44/09/1050734409.db2.gz IGEMSCAVXQOZPS-UHFFFAOYSA-N 1 0 348.475 4.269 20 30 EIEDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508419 1050796193 /nfs/dbraw/zinc/79/61/93/1050796193.db2.gz PXNVISQKOOVRCA-RTWAWAEBSA-N 1 0 348.446 4.448 20 30 EIEDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)cc1 ZINC000619508153 1050796234 /nfs/dbraw/zinc/79/62/34/1050796234.db2.gz QEBMBLAEOUXZJP-UHFFFAOYSA-N 1 0 346.434 4.266 20 30 EIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)c(OC)c2)C12CCCCC2 ZINC001180097111 1050866364 /nfs/dbraw/zinc/86/63/64/1050866364.db2.gz BCCPCGWNTBDGGI-WOJBJXKFSA-N 1 0 342.483 4.127 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC001180051931 1050869473 /nfs/dbraw/zinc/86/94/73/1050869473.db2.gz MRTBFQPPWRTMMZ-AEFFLSMTSA-N 1 0 335.900 4.212 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000619724383 1050872603 /nfs/dbraw/zinc/87/26/03/1050872603.db2.gz NJYWXUBXOAAYLM-FQEVSTJZSA-N 1 0 340.854 4.012 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000619755746 1050885281 /nfs/dbraw/zinc/88/52/81/1050885281.db2.gz RDEFYUSDCVHXCP-SFHVURJKSA-N 1 0 341.798 4.287 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)COc2ccc(F)cc2F)cc1 ZINC000619776284 1050898477 /nfs/dbraw/zinc/89/84/77/1050898477.db2.gz QZPCKNFEGCQUIN-AWEZNQCLSA-N 1 0 333.378 4.087 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)c(F)c1F ZINC001180152744 1050900502 /nfs/dbraw/zinc/90/05/02/1050900502.db2.gz CJGQKTQAFUVYBE-UHFFFAOYSA-N 1 0 330.378 4.200 20 30 EIEDRO N#Cc1ccc(NC2=CCC[N@H+](Cc3ccccc3)C2)c2cccnc12 ZINC001174394683 1050911309 /nfs/dbraw/zinc/91/13/09/1050911309.db2.gz SRUOLYKUFTVEFE-UHFFFAOYSA-N 1 0 340.430 4.308 20 30 EIEDRO Cc1cc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)ccc1C#N ZINC001180224764 1050920442 /nfs/dbraw/zinc/92/04/42/1050920442.db2.gz JBMVCDVTGJICJT-JOCHJYFZSA-N 1 0 334.463 4.090 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCc3cc(Br)ccc32)C1 ZINC000619822889 1050921980 /nfs/dbraw/zinc/92/19/80/1050921980.db2.gz YZTJHQCUAJYPPO-VMGRFDJRSA-N 1 0 333.273 4.498 20 30 EIEDRO CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC001180194484 1050928645 /nfs/dbraw/zinc/92/86/45/1050928645.db2.gz DZQCHPMEDSVANY-CQSZACIVSA-N 1 0 343.421 4.486 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000153047238 1050943584 /nfs/dbraw/zinc/94/35/84/1050943584.db2.gz XJOYTHBYOGVFTF-QGZVFWFLSA-N 1 0 346.515 4.175 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(F)c(N(C)C)cc1F ZINC001180280683 1050951986 /nfs/dbraw/zinc/95/19/86/1050951986.db2.gz LRDBDPCDWVRFNR-UHFFFAOYSA-N 1 0 330.422 4.262 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N(CC)C2CC[NH+](C)CC2)c1 ZINC001189264458 1050952429 /nfs/dbraw/zinc/95/24/29/1050952429.db2.gz WETGBHZJJVIPQL-UHFFFAOYSA-N 1 0 343.515 4.081 20 30 EIEDRO C[NH+]1CCC(Oc2ccc(Nc3ccc(Cl)c(C#N)c3)cc2)CC1 ZINC001174404617 1050980430 /nfs/dbraw/zinc/98/04/30/1050980430.db2.gz UWYFJWTWMHLCOX-UHFFFAOYSA-N 1 0 341.842 4.428 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620193525 1051058568 /nfs/dbraw/zinc/05/85/68/1051058568.db2.gz IXKXDGTWWIVYQY-ICSRJNTNSA-N 1 0 340.511 4.007 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620193458 1051059026 /nfs/dbraw/zinc/05/90/26/1051059026.db2.gz HSDXSBXTHINPTE-CTNGQTDRSA-N 1 0 340.511 4.007 20 30 EIEDRO C=CC[N@@H+](Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC001180706947 1051067743 /nfs/dbraw/zinc/06/77/43/1051067743.db2.gz BNGUUKATINYVMZ-UHFFFAOYSA-N 1 0 342.483 4.130 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccc(OCC#N)cc1 ZINC000775336074 1051075710 /nfs/dbraw/zinc/07/57/10/1051075710.db2.gz BEBVEJOAOJMDEX-HNNXBMFYSA-N 1 0 339.439 4.012 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001180950370 1051119592 /nfs/dbraw/zinc/11/95/92/1051119592.db2.gz AQFGEWBPZZWZOI-HIFRSBDPSA-N 1 0 340.389 4.145 20 30 EIEDRO C#CCCCCCC[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC001174725051 1051151575 /nfs/dbraw/zinc/15/15/75/1051151575.db2.gz MKWJYAVWHHHRAK-KRWDZBQOSA-N 1 0 327.390 4.086 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC12CCOCC2 ZINC001190347898 1051159838 /nfs/dbraw/zinc/15/98/38/1051159838.db2.gz GDDZBPKQHUUXPK-HXUWFJFHSA-N 1 0 326.484 4.367 20 30 EIEDRO CCCCCCC[C@@H](C)C(=O)NCCSCc1[nH]cnc1C ZINC001181133448 1051162651 /nfs/dbraw/zinc/16/26/51/1051162651.db2.gz SRPQDHOKHBAWLZ-CQSZACIVSA-N 1 0 325.522 4.064 20 30 EIEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)CC[C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC001190400323 1051168991 /nfs/dbraw/zinc/16/89/91/1051168991.db2.gz YBAWZDYNDDNACK-DZFIZOCASA-N 1 0 326.484 4.001 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000775386855 1051181253 /nfs/dbraw/zinc/18/12/53/1051181253.db2.gz GXPGSGFNVVQOGR-GOTSBHOMSA-N 1 0 342.442 4.412 20 30 EIEDRO COc1ccc(SCC[NH2+]Cc2ccc(C#N)c(Cl)c2)cc1 ZINC001181164337 1051182112 /nfs/dbraw/zinc/18/21/12/1051182112.db2.gz WNNFYWACBSQPFP-UHFFFAOYSA-N 1 0 332.856 4.102 20 30 EIEDRO CC[C@@](C)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000775390455 1051194832 /nfs/dbraw/zinc/19/48/32/1051194832.db2.gz NJWTUTRHXQJAAS-LJQANCHMSA-N 1 0 341.842 4.065 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccccc1 ZINC000775397712 1051215253 /nfs/dbraw/zinc/21/52/53/1051215253.db2.gz AFWIWFHCOWVEMZ-QGZVFWFLSA-N 1 0 333.353 4.482 20 30 EIEDRO C[C@@H](CCC#N)C[N@H+](CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001181471192 1051233746 /nfs/dbraw/zinc/23/37/46/1051233746.db2.gz CZROSJMNJUVCEL-HNNXBMFYSA-N 1 0 341.421 4.009 20 30 EIEDRO CCCCCCNC(=O)[C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001190651879 1051244877 /nfs/dbraw/zinc/24/48/77/1051244877.db2.gz RYBYZXNXBQYZBM-IBGZPJMESA-N 1 0 347.547 4.259 20 30 EIEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CCC1CCCCC1 ZINC001190706658 1051250276 /nfs/dbraw/zinc/25/02/76/1051250276.db2.gz AUVKCFLCDUMETA-WBTXTPOCSA-N 1 0 347.547 4.208 20 30 EIEDRO C=CCOc1ccc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC001181686429 1051266842 /nfs/dbraw/zinc/26/68/42/1051266842.db2.gz HAFMNSJQSACXQI-XMSQKQJNSA-N 1 0 342.527 4.384 20 30 EIEDRO C=C(C[NH2+]Cc1cccc(OCC)c1OC(F)F)c1ccccc1 ZINC000620757788 1051275790 /nfs/dbraw/zinc/27/57/90/1051275790.db2.gz HGOZAKVYOHVCBO-UHFFFAOYSA-N 1 0 333.378 4.490 20 30 EIEDRO C=C(C[NH2+]Cc1c(C)nn(CC(C)C)c1OCC)c1ccccc1 ZINC000620757013 1051276405 /nfs/dbraw/zinc/27/64/05/1051276405.db2.gz YMUIDJJLZVLJGF-UHFFFAOYSA-N 1 0 327.472 4.049 20 30 EIEDRO CCCc1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC001190818209 1051284555 /nfs/dbraw/zinc/28/45/55/1051284555.db2.gz GVELFNXOZNWQKY-UHFFFAOYSA-N 1 0 333.479 4.223 20 30 EIEDRO C#C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC001181697302 1051289343 /nfs/dbraw/zinc/28/93/43/1051289343.db2.gz HQLNVJXKTGGYGX-MGPUTAFESA-N 1 0 342.845 4.270 20 30 EIEDRO C#C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(Cl)cc1F ZINC001181697304 1051290665 /nfs/dbraw/zinc/29/06/65/1051290665.db2.gz HQLNVJXKTGGYGX-YWZLYKJASA-N 1 0 342.845 4.270 20 30 EIEDRO C#CCCCCCC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC001190883137 1051298819 /nfs/dbraw/zinc/29/88/19/1051298819.db2.gz AZZMAVRILHXGDS-UHFFFAOYSA-N 1 0 337.467 4.500 20 30 EIEDRO Clc1ccccc1C#CC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000775437826 1051354010 /nfs/dbraw/zinc/35/40/10/1051354010.db2.gz DPLDZHDDYSFGCW-OAQYLSRUSA-N 1 0 339.866 4.449 20 30 EIEDRO CCCCCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001191121623 1051356145 /nfs/dbraw/zinc/35/61/45/1051356145.db2.gz FMLWYDCNDLOJHB-ICSRJNTNSA-N 1 0 345.531 4.167 20 30 EIEDRO C#C[C@@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1ccc(Br)cc1 ZINC001182030891 1051375298 /nfs/dbraw/zinc/37/52/98/1051375298.db2.gz DLZNGMFVYINEFE-UPTPFMHGSA-N 1 0 348.284 4.061 20 30 EIEDRO CC(C)Oc1cc(F)cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1 ZINC001175140938 1051409538 /nfs/dbraw/zinc/40/95/38/1051409538.db2.gz XAKXDQSTJBTBQA-UHFFFAOYSA-N 1 0 345.443 4.278 20 30 EIEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC001191266815 1051410996 /nfs/dbraw/zinc/41/09/96/1051410996.db2.gz ADNNIUJEBVELIV-NRFANRHFSA-N 1 0 349.478 4.148 20 30 EIEDRO CCCC[N@H+](CC)[C@@H](C(=O)N[C@](C)(C#N)CC(C)C)c1ccccc1 ZINC001182234830 1051433107 /nfs/dbraw/zinc/43/31/07/1051433107.db2.gz GPJROZXWYQAHKE-CTNGQTDRSA-N 1 0 343.515 4.294 20 30 EIEDRO C[C@@H](Cc1cccs1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC001191463293 1051468613 /nfs/dbraw/zinc/46/86/13/1051468613.db2.gz ALJQCDBZCGFWHN-LBPRGKRZSA-N 1 0 336.407 4.284 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001191508576 1051470420 /nfs/dbraw/zinc/47/04/20/1051470420.db2.gz DDRUONKMWGIHET-QGZVFWFLSA-N 1 0 342.483 4.119 20 30 EIEDRO Cc1ccc(C)c(N2CC[NH+](CCCCC3(C#N)CCC3)CC2)c1 ZINC001191531220 1051477271 /nfs/dbraw/zinc/47/72/71/1051477271.db2.gz PIVIXSZIEDVEJQ-UHFFFAOYSA-N 1 0 325.500 4.290 20 30 EIEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000156070206 1051490157 /nfs/dbraw/zinc/49/01/57/1051490157.db2.gz DUKGRJVMVDCXNX-KBPBESRZSA-N 1 0 341.421 4.260 20 30 EIEDRO CC[C@H]([NH2+]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000774169581 1051491127 /nfs/dbraw/zinc/49/11/27/1051491127.db2.gz SJWLMRXUZQQTSW-ROUUACIJSA-N 1 0 348.368 4.049 20 30 EIEDRO CCC(CC)(CC)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001191617790 1051491569 /nfs/dbraw/zinc/49/15/69/1051491569.db2.gz NFJDMXJXYOUIIG-UHFFFAOYSA-N 1 0 349.906 4.454 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccc(C#N)cc1 ZINC000774359419 1051562788 /nfs/dbraw/zinc/56/27/88/1051562788.db2.gz PDZCUEOXLJJWBV-RTBURBONSA-N 1 0 328.843 4.160 20 30 EIEDRO C[NH+](C)[C@H](C/N=C/c1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000183872864 1051575973 /nfs/dbraw/zinc/57/59/73/1051575973.db2.gz RYERJDHHJIIBTH-CNPYVQQSSA-N 1 0 336.357 4.133 20 30 EIEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000156970365 1051585505 /nfs/dbraw/zinc/58/55/05/1051585505.db2.gz PPTGXUYRVDQLOK-KRWDZBQOSA-N 1 0 345.512 4.141 20 30 EIEDRO C=CCOc1ccc(C[N@H+](Cc2ccc(Cl)nn2)C(C)(C)C)cc1 ZINC001192052923 1051626111 /nfs/dbraw/zinc/62/61/11/1051626111.db2.gz QBHMJJQDJMPXSR-UHFFFAOYSA-N 1 0 345.874 4.496 20 30 EIEDRO C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC001182520949 1051630504 /nfs/dbraw/zinc/63/05/04/1051630504.db2.gz LMZSBHYXWGHYQA-FQEVSTJZSA-N 1 0 326.390 4.434 20 30 EIEDRO N#Cc1cc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc(F)c1F ZINC001175506474 1051640952 /nfs/dbraw/zinc/64/09/52/1051640952.db2.gz BIJVIUDPASWFFA-UHFFFAOYSA-N 1 0 325.362 4.038 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)ccc1C#N ZINC001182666671 1051663579 /nfs/dbraw/zinc/66/35/79/1051663579.db2.gz PXXIKHLQXRCTCD-YPAWHYETSA-N 1 0 332.447 4.361 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1C[C@@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC001182665461 1051663645 /nfs/dbraw/zinc/66/36/45/1051663645.db2.gz GENXSYBVRYJUIN-OLMNPRSZSA-N 1 0 342.483 4.475 20 30 EIEDRO Clc1cccc(C#CC[NH2+][C@H](Cc2cccnc2)C2CCCC2)c1 ZINC001175600750 1051664537 /nfs/dbraw/zinc/66/45/37/1051664537.db2.gz BEWDDMIBJLBARX-OAQYLSRUSA-N 1 0 338.882 4.478 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc(Br)cnc1OC ZINC001182929608 1051755521 /nfs/dbraw/zinc/75/55/21/1051755521.db2.gz CVHOBAHJEHRBKP-CYBMUJFWSA-N 1 0 341.293 4.467 20 30 EIEDRO CSc1ccc(OCC[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC001192489590 1051756522 /nfs/dbraw/zinc/75/65/22/1051756522.db2.gz GUXJEHZLNYTIBA-UHFFFAOYSA-N 1 0 338.476 4.324 20 30 EIEDRO C#C[C@H]([NH2+]Cc1ccccc1-c1ccc(C)cc1C)C1CCOCC1 ZINC001182991947 1051756829 /nfs/dbraw/zinc/75/68/29/1051756829.db2.gz YJKOHZPPFOZQCW-QHCPKHFHSA-N 1 0 333.475 4.488 20 30 EIEDRO N#Cc1cc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)cs1 ZINC001175800188 1051767159 /nfs/dbraw/zinc/76/71/59/1051767159.db2.gz UCSBCHWEZDJTHB-UHFFFAOYSA-N 1 0 327.453 4.228 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@H](CCC(C)C)C(C)(C)C)c1C#N ZINC001192604114 1051776511 /nfs/dbraw/zinc/77/65/11/1051776511.db2.gz JSNRFARRJMBOSV-GOSISDBHSA-N 1 0 330.472 4.285 20 30 EIEDRO C=CCCC[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)c1ccccc1 ZINC001175775168 1051778861 /nfs/dbraw/zinc/77/88/61/1051778861.db2.gz OHLVIAYKQLTZJF-OAQYLSRUSA-N 1 0 332.451 4.455 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(-c2ncco2)cc1F ZINC001192652514 1051780103 /nfs/dbraw/zinc/78/01/03/1051780103.db2.gz DICOOJGAJIZKRV-UHFFFAOYSA-N 1 0 326.371 4.304 20 30 EIEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]Cc3cncc(C#N)c3)cc2)cs1 ZINC001192663929 1051797414 /nfs/dbraw/zinc/79/74/14/1051797414.db2.gz XYJWJVABKDQSBS-CYBMUJFWSA-N 1 0 334.448 4.236 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](CC2CCC2)c2ccccc2)c1 ZINC001192825315 1051816516 /nfs/dbraw/zinc/81/65/16/1051816516.db2.gz YKDACTMZYAEEDD-OAQYLSRUSA-N 1 0 347.462 4.408 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCCN(Cc3ccccc3)C2)C1 ZINC001183292706 1051822202 /nfs/dbraw/zinc/82/22/02/1051822202.db2.gz SNWVRZSBRBJFHP-NJDAHSKKSA-N 1 0 325.500 4.103 20 30 EIEDRO C=CCC[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(C(F)(F)F)cc1 ZINC000775553487 1051825201 /nfs/dbraw/zinc/82/52/01/1051825201.db2.gz OZTZVUKDFXXYEH-ZBFHGGJFSA-N 1 0 341.373 4.256 20 30 EIEDRO N#CCC[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000775553870 1051833181 /nfs/dbraw/zinc/83/31/81/1051833181.db2.gz RSZPFXNUBDLZFB-ROUUACIJSA-N 1 0 348.368 4.373 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001192919858 1051833934 /nfs/dbraw/zinc/83/39/34/1051833934.db2.gz GWKBDSXCBDYVOL-INIZCTEOSA-N 1 0 349.523 4.020 20 30 EIEDRO Cc1c2ccccc2sc1[C@@H](C)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC001193140826 1051879742 /nfs/dbraw/zinc/87/97/42/1051879742.db2.gz AMSZYQWICARZDW-CQSZACIVSA-N 1 0 349.459 4.371 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000621731894 1051926170 /nfs/dbraw/zinc/92/61/70/1051926170.db2.gz DWJLJPGXFUAGBI-KRWDZBQOSA-N 1 0 342.508 4.092 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621764560 1051939758 /nfs/dbraw/zinc/93/97/58/1051939758.db2.gz IHMKRKVYHNMYIC-TZIWHRDSSA-N 1 0 334.463 4.261 20 30 EIEDRO CC[C@](C)(O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001193516834 1051942284 /nfs/dbraw/zinc/94/22/84/1051942284.db2.gz IJPQYWLTFDRQKM-FQEVSTJZSA-N 1 0 342.870 4.375 20 30 EIEDRO C=CC[C@@H]1[N@@H+](CC(=O)NCc2ccc(Cl)cc2)CCCC1(C)C ZINC001193921467 1052029265 /nfs/dbraw/zinc/02/92/65/1052029265.db2.gz XNCPYDFKTFZHRZ-KRWDZBQOSA-N 1 0 334.891 4.023 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001194052133 1052061443 /nfs/dbraw/zinc/06/14/43/1052061443.db2.gz PKPUSJQMWDIWCV-UHFFFAOYSA-N 1 0 349.474 4.470 20 30 EIEDRO C=C(C)C[N@H+](CCCn1c2ccccc2[nH]c1=O)Cc1ccccc1 ZINC001194052142 1052062548 /nfs/dbraw/zinc/06/25/48/1052062548.db2.gz PSYSDBOKECETSM-UHFFFAOYSA-N 1 0 335.451 4.210 20 30 EIEDRO C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(OC(F)F)cc1OC(F)F ZINC000165492160 1052065971 /nfs/dbraw/zinc/06/59/71/1052065971.db2.gz SXRPCEXLQLFDLB-SSDOTTSWSA-N 1 0 349.246 4.492 20 30 EIEDRO N#Cc1ccc(NC(=O)Nc2ccccc2C[NH+]2CCCCC2)cc1 ZINC001184753928 1052093509 /nfs/dbraw/zinc/09/35/09/1052093509.db2.gz PCYQXMGKIVCWIW-UHFFFAOYSA-N 1 0 334.423 4.188 20 30 EIEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001194165230 1052093946 /nfs/dbraw/zinc/09/39/46/1052093946.db2.gz RCJILEGFFVWKCF-GOSISDBHSA-N 1 0 334.246 4.162 20 30 EIEDRO Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)n2c3ccccc3nc2c1C#N ZINC001184738574 1052097269 /nfs/dbraw/zinc/09/72/69/1052097269.db2.gz BFCLRRYDKLXNEK-INIZCTEOSA-N 1 0 349.482 4.056 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1cc(C(F)(F)F)cc(C#N)n1)CC(C)C ZINC001184740119 1052097664 /nfs/dbraw/zinc/09/76/64/1052097664.db2.gz LORIBPPUMYZEFU-HNNXBMFYSA-N 1 0 342.409 4.140 20 30 EIEDRO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1CCC(C#N)CC1 ZINC001194212628 1052106730 /nfs/dbraw/zinc/10/67/30/1052106730.db2.gz DIMUBIFLAKAUFB-UHFFFAOYSA-N 1 0 340.389 4.389 20 30 EIEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001176554739 1052130831 /nfs/dbraw/zinc/13/08/31/1052130831.db2.gz GKEXSURTJPJALT-OAHLLOKOSA-N 1 0 342.911 4.288 20 30 EIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCCCCCCC1 ZINC001194400520 1052138855 /nfs/dbraw/zinc/13/88/55/1052138855.db2.gz JEENWHOJMLPJAE-KRWDZBQOSA-N 1 0 345.462 4.117 20 30 EIEDRO C=CCCCC[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001176718269 1052189050 /nfs/dbraw/zinc/18/90/50/1052189050.db2.gz KTSMRSHAFBNPCF-QGZVFWFLSA-N 1 0 338.289 4.089 20 30 EIEDRO CCCCCC[N@@H+](Cc1ccco1)C[C@@H](O)c1cccc(C#N)c1 ZINC001176828298 1052196367 /nfs/dbraw/zinc/19/63/67/1052196367.db2.gz QVDTXFQMXVHVRM-HXUWFJFHSA-N 1 0 326.440 4.267 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1Cl ZINC000671311696 1052617446 /nfs/dbraw/zinc/61/74/46/1052617446.db2.gz FHQWCPMTGOEGDF-UHFFFAOYSA-N 1 0 335.875 4.297 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccccc1 ZINC000192642373 1052626654 /nfs/dbraw/zinc/62/66/54/1052626654.db2.gz YRQLYYDMOLWEHL-KRWDZBQOSA-N 1 0 338.476 4.397 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)Cc2ccncc2)cc1OC ZINC000623440994 1052656925 /nfs/dbraw/zinc/65/69/25/1052656925.db2.gz WYYLOPXMECOJGC-AWEZNQCLSA-N 1 0 346.858 4.029 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCCSC2)cc1OC ZINC000623525536 1052672288 /nfs/dbraw/zinc/67/22/88/1052672288.db2.gz QXUKZMWFHQUFIP-ZDUSSCGKSA-N 1 0 341.904 4.146 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCCSC2)cc1OC ZINC000623525535 1052672605 /nfs/dbraw/zinc/67/26/05/1052672605.db2.gz QXUKZMWFHQUFIP-CYBMUJFWSA-N 1 0 341.904 4.146 20 30 EIEDRO C=CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000179856602 1052761041 /nfs/dbraw/zinc/76/10/41/1052761041.db2.gz QMBYSGGLUBGKGV-UHFFFAOYSA-N 1 0 342.446 4.147 20 30 EIEDRO N#Cc1cccc(COc2ccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000272913979 1052790075 /nfs/dbraw/zinc/79/00/75/1052790075.db2.gz RXZNMFAWDNMTRH-NHCUHLMSSA-N 1 0 347.462 4.176 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623995096 1052849461 /nfs/dbraw/zinc/84/94/61/1052849461.db2.gz NJKZEWVVCGERAK-ZBINZKHDSA-N 1 0 348.796 4.008 20 30 EIEDRO CC(C)c1cccc(NC(=[NH2+])NCc2ccn(C3CCCC3)n2)c1 ZINC000119590783 1053068443 /nfs/dbraw/zinc/06/84/43/1053068443.db2.gz RBDJUWWVCAPZBG-UHFFFAOYSA-N 1 0 325.460 4.048 20 30 EIEDRO CCC(CC)[N@H+](CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001194782683 1053091320 /nfs/dbraw/zinc/09/13/20/1053091320.db2.gz VGFRFLJETXXJFL-UHFFFAOYSA-N 1 0 347.528 4.338 20 30 EIEDRO COC(OC)c1ccc(F)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000850354902 1053126940 /nfs/dbraw/zinc/12/69/40/1053126940.db2.gz CHOLRLIQMTVLRW-UHFFFAOYSA-N 1 0 342.414 4.014 20 30 EIEDRO C=C(C)CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000775617047 1053134276 /nfs/dbraw/zinc/13/42/76/1053134276.db2.gz JDPPYFNBAUKDDE-OAQYLSRUSA-N 1 0 325.452 4.197 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1Cl ZINC000850372048 1053146188 /nfs/dbraw/zinc/14/61/88/1053146188.db2.gz OZIODWSBTLHBHL-QZTJIDSGSA-N 1 0 329.827 4.173 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C2CCC3(CC3(F)F)CC2)cc1 ZINC000850391313 1053165472 /nfs/dbraw/zinc/16/54/72/1053165472.db2.gz MEUJFGIEQGJLIK-UHFFFAOYSA-N 1 0 333.426 4.094 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000850429412 1053207504 /nfs/dbraw/zinc/20/75/04/1053207504.db2.gz PWXYLNYIOLGARU-ICSRJNTNSA-N 1 0 326.484 4.147 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCCn2c(C)nc3ccccc32)cc1 ZINC000764588111 1053210845 /nfs/dbraw/zinc/21/08/45/1053210845.db2.gz DINHBVJSEYHZKD-KRWDZBQOSA-N 1 0 347.462 4.098 20 30 EIEDRO N#CC1(C[C@H](O)C[N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CCC1 ZINC001194983951 1053215898 /nfs/dbraw/zinc/21/58/98/1053215898.db2.gz NVIDRANNLREDNE-PMACEKPBSA-N 1 0 338.495 4.439 20 30 EIEDRO N#Cc1cc(F)ccc1CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000794666401 1053238466 /nfs/dbraw/zinc/23/84/66/1053238466.db2.gz CTEARFCKCHEFSY-YADHBBJMSA-N 1 0 346.405 4.262 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000850482631 1053253199 /nfs/dbraw/zinc/25/31/99/1053253199.db2.gz QIMSKEUHJQMTAV-SUMDDJOVSA-N 1 0 327.472 4.002 20 30 EIEDRO Cc1cc(F)ccc1C[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000850493492 1053261873 /nfs/dbraw/zinc/26/18/73/1053261873.db2.gz JHEBWGZLTSLHQC-HOTGVXAUSA-N 1 0 326.415 4.318 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000764770361 1053304331 /nfs/dbraw/zinc/30/43/31/1053304331.db2.gz APGSDSJUUKEWKI-KUHUBIRLSA-N 1 0 349.833 4.341 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850557020 1053313322 /nfs/dbraw/zinc/31/33/22/1053313322.db2.gz UKFJZZLZECBLRX-ZWKOTPCHSA-N 1 0 347.245 4.176 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cccnc2OCC)cc1 ZINC000764860143 1053339251 /nfs/dbraw/zinc/33/92/51/1053339251.db2.gz IAXQQFOFMGEEGL-OAHLLOKOSA-N 1 0 346.858 4.462 20 30 EIEDRO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001195251977 1053344031 /nfs/dbraw/zinc/34/40/31/1053344031.db2.gz ZFIUXQNAECAWQC-IAGOWNOFSA-N 1 0 334.504 4.150 20 30 EIEDRO Cc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1F ZINC001195368266 1053383397 /nfs/dbraw/zinc/38/33/97/1053383397.db2.gz RAKGKZIBLGDGFT-HNNXBMFYSA-N 1 0 339.414 4.027 20 30 EIEDRO C=CCn1c(-c2ccc(C)cc2)nn(CN2C[C@@H](C)C[C@@H]2C)c1=S ZINC000765027298 1053418966 /nfs/dbraw/zinc/41/89/66/1053418966.db2.gz GZTWCGACDIGJEU-HOTGVXAUSA-N 1 0 342.512 4.263 20 30 EIEDRO CCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)[C@@H](O)c1ccccc1 ZINC000794834136 1053453585 /nfs/dbraw/zinc/45/35/85/1053453585.db2.gz XMNDVHLNNQEDEK-UAOJZALGSA-N 1 0 326.415 4.250 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1 ZINC000765264455 1053487622 /nfs/dbraw/zinc/48/76/22/1053487622.db2.gz UBNODSSFADRMDF-LIRRHRJNSA-N 1 0 349.833 4.341 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cc1 ZINC000765264452 1053487726 /nfs/dbraw/zinc/48/77/26/1053487726.db2.gz UBNODSSFADRMDF-AUUYWEPGSA-N 1 0 349.833 4.341 20 30 EIEDRO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001195797592 1053489527 /nfs/dbraw/zinc/48/95/27/1053489527.db2.gz IYKKQHSYGJWCKT-KRWDZBQOSA-N 1 0 334.504 4.437 20 30 EIEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C2CCCCC2)CC1 ZINC001195861643 1053499477 /nfs/dbraw/zinc/49/94/77/1053499477.db2.gz KDPFWAXUBJUCFD-INIZCTEOSA-N 1 0 339.483 4.178 20 30 EIEDRO Fc1ccc(C#CC[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)cc1 ZINC001195872986 1053513101 /nfs/dbraw/zinc/51/31/01/1053513101.db2.gz HOOWQWICWDEFJU-HXUWFJFHSA-N 1 0 325.402 4.414 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cc1 ZINC000765359997 1053514243 /nfs/dbraw/zinc/51/42/43/1053514243.db2.gz JQKXBNVUQBHMHN-KUHUBIRLSA-N 1 0 349.833 4.341 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC(=O)O1)c1ccc(C(F)(F)F)cc1 ZINC000851905717 1053531164 /nfs/dbraw/zinc/53/11/64/1053531164.db2.gz NZWFZHZXKYOAJX-CABCVRRESA-N 1 0 327.346 4.008 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000775680704 1053554392 /nfs/dbraw/zinc/55/43/92/1053554392.db2.gz FSNZDWUTORVVBT-IFMALSPDSA-N 1 0 334.463 4.480 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000775680719 1053557248 /nfs/dbraw/zinc/55/72/48/1053557248.db2.gz FSNZDWUTORVVBT-RBBKRZOGSA-N 1 0 334.463 4.480 20 30 EIEDRO CCc1cc2oc(=O)cc(CN3CCC[C@H](CC#N)C3)c2cc1Cl ZINC000852320130 1053568126 /nfs/dbraw/zinc/56/81/26/1053568126.db2.gz WXHJBUWGXLGCLZ-CYBMUJFWSA-N 1 0 344.842 4.134 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC(CCC[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000852319758 1053568162 /nfs/dbraw/zinc/56/81/62/1053568162.db2.gz CBSBLIDNHAJYIB-SFHVURJKSA-N 1 0 349.519 4.039 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC001196039724 1053569314 /nfs/dbraw/zinc/56/93/14/1053569314.db2.gz QCLMARXZTYOIHZ-UHFFFAOYSA-N 1 0 343.430 4.261 20 30 EIEDRO C=C(Cl)C[NH+]1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001196047969 1053571077 /nfs/dbraw/zinc/57/10/77/1053571077.db2.gz JZXZGEMHWQHIJC-MRXNPFEDSA-N 1 0 342.911 4.098 20 30 EIEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000552199991 1053577636 /nfs/dbraw/zinc/57/76/36/1053577636.db2.gz QSTKXZPQBKYPMP-INIZCTEOSA-N 1 0 333.863 4.051 20 30 EIEDRO COc1ccc(C[NH2+]CC(C)(C)C(C)(F)F)cc1OCCCC#N ZINC000865790109 1053595120 /nfs/dbraw/zinc/59/51/20/1053595120.db2.gz IYPZWJGDCDNYKP-UHFFFAOYSA-N 1 0 340.414 4.149 20 30 EIEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000171935385 1053599481 /nfs/dbraw/zinc/59/94/81/1053599481.db2.gz BSFOQZJZACBUTL-GOSISDBHSA-N 1 0 339.464 4.079 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 ZINC000865834269 1053603447 /nfs/dbraw/zinc/60/34/47/1053603447.db2.gz HQZIPKYJXIPMFS-AYXTYWIVSA-N 1 0 345.284 4.149 20 30 EIEDRO C=CC[N@@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)C(C)(C)C ZINC001196199287 1053609488 /nfs/dbraw/zinc/60/94/88/1053609488.db2.gz ZKKSIVFDVOYZKF-UHFFFAOYSA-N 1 0 331.435 4.403 20 30 EIEDRO COc1ccc(C(C)(C)[NH2+]CC#Cc2ccc(Cl)cc2)cc1F ZINC001196246634 1053619269 /nfs/dbraw/zinc/61/92/69/1053619269.db2.gz HXNHVGFNSJGQIW-UHFFFAOYSA-N 1 0 331.818 4.364 20 30 EIEDRO COc1cc(C[NH+](C2CC2)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC001196238859 1053625912 /nfs/dbraw/zinc/62/59/12/1053625912.db2.gz WQMMQGDDMOFZAG-UHFFFAOYSA-N 1 0 348.446 4.273 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC001196321982 1053638743 /nfs/dbraw/zinc/63/87/43/1053638743.db2.gz HAXJUARFLBHYKN-KFWWJZLASA-N 1 0 348.874 4.167 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc2c(c1)CCCO2 ZINC000853094692 1053644875 /nfs/dbraw/zinc/64/48/75/1053644875.db2.gz KTPJGCJVYXEWJV-MRXNPFEDSA-N 1 0 332.447 4.418 20 30 EIEDRO Clc1ccc(CSc2nncn2[NH+]=C[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000853281025 1053661670 /nfs/dbraw/zinc/66/16/70/1053661670.db2.gz USBDJTHKDRVKHR-QLFBSQMISA-N 1 0 346.887 4.494 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC001196442546 1053661718 /nfs/dbraw/zinc/66/17/18/1053661718.db2.gz REBFOHHGMFDJLL-CYBMUJFWSA-N 1 0 331.257 4.395 20 30 EIEDRO Clc1ccc(N=NCC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000853436354 1053676516 /nfs/dbraw/zinc/67/65/16/1053676516.db2.gz XULJQCQYXAVWCC-UHFFFAOYSA-N 1 0 328.847 4.045 20 30 EIEDRO C=CCc1cc(C[NH+]2CCC(c3ccco3)CC2)c(O)c(OC)c1 ZINC000853527293 1053682531 /nfs/dbraw/zinc/68/25/31/1053682531.db2.gz ROABABHNYWLFJK-UHFFFAOYSA-N 1 0 327.424 4.102 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1cc(C)ccn1 ZINC000866449055 1053733690 /nfs/dbraw/zinc/73/36/90/1053733690.db2.gz QEZDBIFTXGESGC-FQEVSTJZSA-N 1 0 348.494 4.362 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)c1ccccn1 ZINC000866448803 1053734149 /nfs/dbraw/zinc/73/41/49/1053734149.db2.gz MKXIJZMDXXHKNR-FQEVSTJZSA-N 1 0 334.467 4.053 20 30 EIEDRO CCCCCCCCC[NH+]1CC(C)(c2nnc(C3CCOCC3)o2)C1 ZINC000854076928 1053751801 /nfs/dbraw/zinc/75/18/01/1053751801.db2.gz FMVVPYPNRCARTG-UHFFFAOYSA-N 1 0 349.519 4.288 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1F)CC2 ZINC000866540827 1053775211 /nfs/dbraw/zinc/77/52/11/1053775211.db2.gz DWSWUJVDQFGSBH-KRWDZBQOSA-N 1 0 332.325 4.076 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000866581307 1053793217 /nfs/dbraw/zinc/79/32/17/1053793217.db2.gz FUCIYAXBEUYUAJ-AWEZNQCLSA-N 1 0 336.439 4.149 20 30 EIEDRO CC1(C)CCCC[C@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC001196859576 1053796561 /nfs/dbraw/zinc/79/65/61/1053796561.db2.gz FPPXYHMMIODMIV-IBGZPJMESA-N 1 0 326.484 4.370 20 30 EIEDRO CC1CC[NH+](CC[C@H]2CCCN2CC#Cc2cccc(Cl)c2)CC1 ZINC001196935446 1053808967 /nfs/dbraw/zinc/80/89/67/1053808967.db2.gz JDLMVNPXRRPRDV-OAQYLSRUSA-N 1 0 344.930 4.278 20 30 EIEDRO C[N@H+](CCc1cccc(C#N)c1)Cc1ccc(-c2ncco2)cc1F ZINC001197115081 1053840369 /nfs/dbraw/zinc/84/03/69/1053840369.db2.gz KHKXWVFGHMOYPG-UHFFFAOYSA-N 1 0 335.382 4.027 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c(F)c1 ZINC000121863870 1053853454 /nfs/dbraw/zinc/85/34/54/1053853454.db2.gz QVPDUFUYSXRWIX-HKUYNNGSSA-N 1 0 342.414 4.159 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000543731209 1053864281 /nfs/dbraw/zinc/86/42/81/1053864281.db2.gz WRHQOKOIDUQLME-GHYICZDASA-N 1 0 345.446 4.065 20 30 EIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000543731208 1053865038 /nfs/dbraw/zinc/86/50/38/1053865038.db2.gz WRHQOKOIDUQLME-DRUFCSCSSA-N 1 0 345.446 4.065 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000776812379 1053926566 /nfs/dbraw/zinc/92/65/66/1053926566.db2.gz IHHHWJPSGUFHEU-SFHVURJKSA-N 1 0 333.353 4.134 20 30 EIEDRO COc1cc2c(cc1OC)[C@H](C)[N@H+](CCC1(C#N)CCCCC1)CC2 ZINC001197496498 1053926830 /nfs/dbraw/zinc/92/68/30/1053926830.db2.gz KMFYAELZCUZQDJ-INIZCTEOSA-N 1 0 342.483 4.487 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1F ZINC001197611829 1053944358 /nfs/dbraw/zinc/94/43/58/1053944358.db2.gz WNVVWXQLAUGVIU-CMPLNLGQSA-N 1 0 345.245 4.228 20 30 EIEDRO C#CC[N@@H+](CCCCCn1cc(C)cn1)[C@@H]1CCCc2ccccc21 ZINC001198103814 1054079829 /nfs/dbraw/zinc/07/98/29/1054079829.db2.gz KDPPULUJNVGBSE-JOCHJYFZSA-N 1 0 335.495 4.375 20 30 EIEDRO CCCCCCCOc1cccc(C[NH+]2CCC(NC(C)=O)CC2)c1 ZINC000123264077 1054122848 /nfs/dbraw/zinc/12/28/48/1054122848.db2.gz FPGWWPFVCXTRQB-UHFFFAOYSA-N 1 0 346.515 4.136 20 30 EIEDRO C=CCCC[N@@H+](CC)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC001198457622 1054149730 /nfs/dbraw/zinc/14/97/30/1054149730.db2.gz FKDXLTASWYUDIZ-UHFFFAOYSA-N 1 0 343.471 4.021 20 30 EIEDRO C=CC[C@@H]1CC[N@H+]1CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001198490797 1054162327 /nfs/dbraw/zinc/16/23/27/1054162327.db2.gz KSGDAMCPFNUCIY-QZTJIDSGSA-N 1 0 332.463 4.070 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000857556004 1054308117 /nfs/dbraw/zinc/30/81/17/1054308117.db2.gz KOTSFUUBEQQAMG-FTEYMNFISA-N 1 0 341.499 4.045 20 30 EIEDRO CCCCCCCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC001199021480 1054321291 /nfs/dbraw/zinc/32/12/91/1054321291.db2.gz JJNBBJUSVXALAU-UHFFFAOYSA-N 1 0 336.480 4.274 20 30 EIEDRO CC1(C)C[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CCO1 ZINC000872038990 1054354312 /nfs/dbraw/zinc/35/43/12/1054354312.db2.gz QFWIGGJPQOJAOO-MRXNPFEDSA-N 1 0 326.465 4.334 20 30 EIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1cc(C)nc2c1CCCC2)C(C)C ZINC001199196928 1054361941 /nfs/dbraw/zinc/36/19/41/1054361941.db2.gz CILWUKLWWFWSSM-JOCHJYFZSA-N 1 0 341.543 4.057 20 30 EIEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858019024 1054400936 /nfs/dbraw/zinc/40/09/36/1054400936.db2.gz FBKATEAXHDZBLO-GOSISDBHSA-N 1 0 327.472 4.132 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052181 1054410690 /nfs/dbraw/zinc/41/06/90/1054410690.db2.gz UYTXJPFFSGZINQ-MGPUTAFESA-N 1 0 333.435 4.045 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2sc(-c3cccnc3)nc2C)CC1 ZINC000872140514 1054412270 /nfs/dbraw/zinc/41/22/70/1054412270.db2.gz PSLNUDZGDCXLAO-FRFSOERESA-N 1 0 325.481 4.356 20 30 EIEDRO C#CCOc1ccc(C[NH2+]C(C)(C)c2nc3ccccc3s2)cc1 ZINC000858216274 1054440709 /nfs/dbraw/zinc/44/07/09/1054440709.db2.gz JNTOUFYTCOHFAA-UHFFFAOYSA-N 1 0 336.460 4.333 20 30 EIEDRO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000776011869 1054445326 /nfs/dbraw/zinc/44/53/26/1054445326.db2.gz BYBWBDVSLGAMHI-WMLDXEAASA-N 1 0 339.405 4.199 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(C(F)(F)F)CCCC2)cc1 ZINC000858307864 1054457379 /nfs/dbraw/zinc/45/73/79/1054457379.db2.gz OQAQEVMBTQNIBK-ZDUSSCGKSA-N 1 0 326.362 4.190 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000858320838 1054464704 /nfs/dbraw/zinc/46/47/04/1054464704.db2.gz KBCIWOUGUIGHGH-YJYMSZOUSA-N 1 0 326.827 4.408 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC001199896824 1054484825 /nfs/dbraw/zinc/48/48/25/1054484825.db2.gz RMKQKNHZGVYQEG-UHFFFAOYSA-N 1 0 348.277 4.263 20 30 EIEDRO C[NH+](C)Cc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)c1 ZINC000858428935 1054487047 /nfs/dbraw/zinc/48/70/47/1054487047.db2.gz DWPUAIRIGGOXQT-UHFFFAOYSA-N 1 0 347.462 4.070 20 30 EIEDRO C[C@@H]([NH2+]CC1(C(F)(F)F)CCCC1)c1ccc(OCC#N)cc1 ZINC000858567773 1054519921 /nfs/dbraw/zinc/51/99/21/1054519921.db2.gz GEUXSZRVCRBFFU-CYBMUJFWSA-N 1 0 326.362 4.362 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)cc1C#N ZINC000859228903 1054648711 /nfs/dbraw/zinc/64/87/11/1054648711.db2.gz FQOVJHZCTIYGQA-HNNXBMFYSA-N 1 0 348.450 4.001 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCOC3=O)cc2)cc1C#N ZINC000859314717 1054659215 /nfs/dbraw/zinc/65/92/15/1054659215.db2.gz ZCZDRCZJQTZXNX-MRXNPFEDSA-N 1 0 349.434 4.064 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2ccc(OC(F)(F)F)cc2C#N)c1 ZINC001201403002 1054776990 /nfs/dbraw/zinc/77/69/90/1054776990.db2.gz HTEMLHVOGPZETN-UHFFFAOYSA-N 1 0 335.329 4.262 20 30 EIEDRO C#CCCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001201406644 1054777786 /nfs/dbraw/zinc/77/77/86/1054777786.db2.gz FOCMCVXWAFQOER-UHFFFAOYSA-N 1 0 342.370 4.419 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)C1(CC)CC ZINC000776162870 1054788312 /nfs/dbraw/zinc/78/83/12/1054788312.db2.gz NDHIGDHWFHWAMD-ATZDWAIDSA-N 1 0 330.472 4.223 20 30 EIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccccc1Cl ZINC000776172529 1054801457 /nfs/dbraw/zinc/80/14/57/1054801457.db2.gz ZPYHYIJTWLCDGU-KUHUBIRLSA-N 1 0 344.842 4.281 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000776171541 1054802335 /nfs/dbraw/zinc/80/23/35/1054802335.db2.gz UJGIQDWCHWRSLT-DXEZIKHYSA-N 1 0 336.435 4.193 20 30 EIEDRO C[C@H]1CCC[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1 ZINC001201449781 1054812112 /nfs/dbraw/zinc/81/21/12/1054812112.db2.gz KOUQPGZSDPPHED-XMZVIZOASA-N 1 0 327.472 4.202 20 30 EIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@H](C)CCC=C(C)C)C2 ZINC001201487189 1054815283 /nfs/dbraw/zinc/81/52/83/1054815283.db2.gz QYERUGVQVMMPFF-TZIWHRDSSA-N 1 0 332.532 4.402 20 30 EIEDRO CCC(C#N)(CC)C(=O)OC[C@@]1(F)CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000860655348 1054846842 /nfs/dbraw/zinc/84/68/42/1054846842.db2.gz KITXMOMNTUCCSE-OXQOHEQNSA-N 1 0 346.446 4.035 20 30 EIEDRO CCCCCCCCCCC[N@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001201630495 1054859134 /nfs/dbraw/zinc/85/91/34/1054859134.db2.gz BLUMSMMUHBRIGD-SFHVURJKSA-N 1 0 335.536 4.497 20 30 EIEDRO CCCCCCC[N@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC)C1 ZINC001201762410 1054899971 /nfs/dbraw/zinc/89/99/71/1054899971.db2.gz KESAPJPNYMAMEB-SFHVURJKSA-N 1 0 333.520 4.199 20 30 EIEDRO CCCCCCCC[N@H+]1CCc2nc(C(=O)OCC)sc2CC1 ZINC001201804342 1054911226 /nfs/dbraw/zinc/91/12/26/1054911226.db2.gz IHNSKXSGQJUQDC-UHFFFAOYSA-N 1 0 338.517 4.081 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201814245 1054911841 /nfs/dbraw/zinc/91/18/41/1054911841.db2.gz MYWAZDXFHYDFJK-ZWKOTPCHSA-N 1 0 335.561 4.400 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CCN(c3ncccn3)CC2)CC1 ZINC001201777012 1054918043 /nfs/dbraw/zinc/91/80/43/1054918043.db2.gz RWAOWABJRPSQKM-UHFFFAOYSA-N 1 0 330.520 4.129 20 30 EIEDRO CCCCCCCCC[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC001201852642 1054919973 /nfs/dbraw/zinc/91/99/73/1054919973.db2.gz GBCMNYUHWPUWES-UHFFFAOYSA-N 1 0 331.504 4.026 20 30 EIEDRO C=CCCOCC[NH2+]Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC001201856825 1054924214 /nfs/dbraw/zinc/92/42/14/1054924214.db2.gz AZSSBRLFQHTCEM-UHFFFAOYSA-N 1 0 347.890 4.331 20 30 EIEDRO CCCCCCCC[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001201839420 1054931628 /nfs/dbraw/zinc/93/16/28/1054931628.db2.gz CIXCTLLICKZKNQ-UHFFFAOYSA-N 1 0 334.479 4.380 20 30 EIEDRO CCCCCCCCC[N@@H+]1CCCn2nnc(COCC3CC3)c2C1 ZINC001201839629 1054932110 /nfs/dbraw/zinc/93/21/10/1054932110.db2.gz OPTSNFXFYUUYMX-UHFFFAOYSA-N 1 0 348.535 4.161 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001201846776 1054933122 /nfs/dbraw/zinc/93/31/22/1054933122.db2.gz LEDXLZTUDJVHQQ-OAQYLSRUSA-N 1 0 343.515 4.261 20 30 EIEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000876593269 1054935587 /nfs/dbraw/zinc/93/55/87/1054935587.db2.gz YSBUHWUMZKZLAO-UONOGXRCSA-N 1 0 347.673 4.127 20 30 EIEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(Cl)c1SC(F)F ZINC000876639465 1054942612 /nfs/dbraw/zinc/94/26/12/1054942612.db2.gz FOBJXRWHWBRIIR-MRVPVSSYSA-N 1 0 341.210 4.063 20 30 EIEDRO CC(C)=CCC[C@@H](C)CC[N@@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001201980707 1054957218 /nfs/dbraw/zinc/95/72/18/1054957218.db2.gz FOCZWYLGXMAIHB-LJQANCHMSA-N 1 0 340.515 4.238 20 30 EIEDRO CCCCCCCOc1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000777223033 1055005448 /nfs/dbraw/zinc/00/54/48/1055005448.db2.gz VHBOYQUGZVTLRU-LJQANCHMSA-N 1 0 342.487 4.074 20 30 EIEDRO Cc1ccc(-c2ccccc2NC(=O)[C@H]([NH3+])CCCCC#N)s1 ZINC000877133690 1055023007 /nfs/dbraw/zinc/02/30/07/1055023007.db2.gz GZSIERURYQQDAP-OAHLLOKOSA-N 1 0 327.453 4.073 20 30 EIEDRO CC1(C)[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@H]1OCc1ccccc1 ZINC001202092010 1055026775 /nfs/dbraw/zinc/02/67/75/1055026775.db2.gz BAMQHJVXXONSCN-XTBIFASLSA-N 1 0 326.484 4.432 20 30 EIEDRO CCC[C@@H](C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)OC ZINC001202545571 1055029926 /nfs/dbraw/zinc/02/99/26/1055029926.db2.gz ICKVBYDFGHZUOJ-NRFANRHFSA-N 1 0 338.451 4.042 20 30 EIEDRO C[C@@H]1C[C@H](Nc2ccc(OCc3cccc(C#N)c3)cc2)CC[N@@H+]1C ZINC000877170169 1055030379 /nfs/dbraw/zinc/03/03/79/1055030379.db2.gz JFTGDACPNUPTKJ-OXQOHEQNSA-N 1 0 335.451 4.032 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(c3ccc(O)cc3)CC2)cc1C#N ZINC000776253017 1055057136 /nfs/dbraw/zinc/05/71/36/1055057136.db2.gz KPQHATMCMJJSAZ-UHFFFAOYSA-N 1 0 336.435 4.088 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000877471311 1055059123 /nfs/dbraw/zinc/05/91/23/1055059123.db2.gz VCOSMJADCBVAQW-BZUNDVKYSA-N 1 0 330.819 4.123 20 30 EIEDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000877503398 1055065470 /nfs/dbraw/zinc/06/54/70/1055065470.db2.gz LBCZLZQGTDHFOD-LAJNKCICSA-N 1 0 328.780 4.024 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000877552342 1055079603 /nfs/dbraw/zinc/07/96/03/1055079603.db2.gz CRTXCEMHSDJAIS-KZNAEPCWSA-N 1 0 349.519 4.038 20 30 EIEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000877584245 1055085368 /nfs/dbraw/zinc/08/53/68/1055085368.db2.gz YDAWLOWDJVCKHE-BXUZGUMPSA-N 1 0 336.197 4.045 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]2C[C@H]([NH2+]CC(C)(C)CC#N)CC[C@H]21 ZINC000877584373 1055085929 /nfs/dbraw/zinc/08/59/29/1055085929.db2.gz QIDPEGGXMWJJJG-GVDBMIGSSA-N 1 0 349.519 4.084 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000877622651 1055094318 /nfs/dbraw/zinc/09/43/18/1055094318.db2.gz RWNBQFACCABKII-OAHLLOKOSA-N 1 0 329.444 4.159 20 30 EIEDRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000877812386 1055124883 /nfs/dbraw/zinc/12/48/83/1055124883.db2.gz OMWMGIJPYLFDES-INIZCTEOSA-N 1 0 326.362 4.143 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](CCC(F)(F)F)CC2)cc1Cl ZINC001202352818 1055147888 /nfs/dbraw/zinc/14/78/88/1055147888.db2.gz PTTQHBOMTNYEJH-UHFFFAOYSA-N 1 0 332.753 4.007 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000877903639 1055149610 /nfs/dbraw/zinc/14/96/10/1055149610.db2.gz ZIOWYFGNNAPGMF-AWEZNQCLSA-N 1 0 341.904 4.118 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCC2(CCOCC2)O1 ZINC000877903640 1055150115 /nfs/dbraw/zinc/15/01/15/1055150115.db2.gz ZIOWYFGNNAPGMF-CQSZACIVSA-N 1 0 341.904 4.118 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000877916148 1055153808 /nfs/dbraw/zinc/15/38/08/1055153808.db2.gz YMDLOBKIUMBIOL-GOTSBHOMSA-N 1 0 346.474 4.134 20 30 EIEDRO COc1ccc(C[NH2+]C2(Cc3cccc(Cl)c3)CC2)cc1C#N ZINC001202417635 1055164327 /nfs/dbraw/zinc/16/43/27/1055164327.db2.gz MKQYFSZESYTJSI-UHFFFAOYSA-N 1 0 326.827 4.085 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+](CCc1ccccc1)C1CC1)c1ccccc1 ZINC000878002609 1055171748 /nfs/dbraw/zinc/17/17/48/1055171748.db2.gz FHABSXCTWBSXIQ-HSZRJFAPSA-N 1 0 346.474 4.134 20 30 EIEDRO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccc(C)cc1 ZINC000878005449 1055173850 /nfs/dbraw/zinc/17/38/50/1055173850.db2.gz NZJVCSKKJIMIOV-QFIPXVFZSA-N 1 0 334.463 4.258 20 30 EIEDRO CC[C@H](C)[C@@H](C)[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056079 1055181708 /nfs/dbraw/zinc/18/17/08/1055181708.db2.gz ADTAOKHHOKWASR-FVJLSDCUSA-N 1 0 326.484 4.326 20 30 EIEDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878151410 1055195152 /nfs/dbraw/zinc/19/51/52/1055195152.db2.gz QHCJYSNRFIZWDF-ZCNNSNEGSA-N 1 0 344.524 4.033 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C)c1ccccc1 ZINC000878176976 1055199378 /nfs/dbraw/zinc/19/93/78/1055199378.db2.gz QPFKZACNNVJTFO-CDNPAEQRSA-N 1 0 346.474 4.305 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C)c1ccccc1 ZINC000878176977 1055199711 /nfs/dbraw/zinc/19/97/11/1055199711.db2.gz QPFKZACNNVJTFO-OFAXGOBFSA-N 1 0 346.474 4.305 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000878353337 1055262064 /nfs/dbraw/zinc/26/20/64/1055262064.db2.gz WLPIMMRAWUHYKY-HZPDHXFCSA-N 1 0 326.440 4.284 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2nnc(-c3cccc(O)c3)o2)CCCC1(C)C ZINC000878515839 1055333070 /nfs/dbraw/zinc/33/30/70/1055333070.db2.gz JBRMIRCTYYUGLR-MRXNPFEDSA-N 1 0 327.428 4.009 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2nnc(-c3ccccc3O)o2)CCCC1(C)C ZINC000878516096 1055333276 /nfs/dbraw/zinc/33/32/76/1055333276.db2.gz OHPMFSUJZCUNPZ-MRXNPFEDSA-N 1 0 327.428 4.009 20 30 EIEDRO C=CCCC[C@@H](C(=O)N1CCC[C@@H](c2ncc[nH]2)C1)c1ccccc1 ZINC000878687747 1055374850 /nfs/dbraw/zinc/37/48/50/1055374850.db2.gz SRMMUOOPKCHRRH-RTBURBONSA-N 1 0 337.467 4.256 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878755666 1055388723 /nfs/dbraw/zinc/38/87/23/1055388723.db2.gz GSAWRFAAXWKMIG-MRXNPFEDSA-N 1 0 341.842 4.017 20 30 EIEDRO Cc1ccccc1[C@H]([C@@H](C)Nc1ncc(C#N)cc1Cl)[NH+](C)C ZINC000553318984 1055406092 /nfs/dbraw/zinc/40/60/92/1055406092.db2.gz LSKNMXXQUFUZCK-DYVFJYSZSA-N 1 0 328.847 4.018 20 30 EIEDRO CC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000553776965 1055822020 /nfs/dbraw/zinc/82/20/20/1055822020.db2.gz HOJTUMBSUSMQFB-UHFFFAOYSA-N 1 0 325.500 4.083 20 30 EIEDRO CCN(Cc1nc(C)c2ccccc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000107896446 1055890055 /nfs/dbraw/zinc/89/00/55/1055890055.db2.gz VMEYDRSEPKAKLT-INIZCTEOSA-N 1 0 330.435 4.393 20 30 EIEDRO N#Cc1cnc2ccccc2c1NC1CCC([NH+]2CCCCC2)CC1 ZINC000301535786 1055947124 /nfs/dbraw/zinc/94/71/24/1055947124.db2.gz LSYIHEGJYHYLFX-UHFFFAOYSA-N 1 0 334.467 4.315 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000301806409 1055987925 /nfs/dbraw/zinc/98/79/25/1055987925.db2.gz XWTRLTQJZWPBKM-SCLBCKFNSA-N 1 0 349.400 4.030 20 30 EIEDRO N#Cc1ccc2nc(N[C@@H](C[NH+]3CCCC3)c3ccccc3)ccc2c1 ZINC000301837580 1055991601 /nfs/dbraw/zinc/99/16/01/1055991601.db2.gz YHVDGQFVRGUBLW-NRFANRHFSA-N 1 0 342.446 4.355 20 30 EIEDRO C[N@@H+]1CC[C@H](CNc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000301854019 1055993680 /nfs/dbraw/zinc/99/36/80/1055993680.db2.gz CGKIZBVPYWTEES-BEFAXECRSA-N 1 0 343.833 4.456 20 30 EIEDRO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000273607282 1056004642 /nfs/dbraw/zinc/00/46/42/1056004642.db2.gz MUPDSYNAHBAHNC-VIFPVBQESA-N 1 0 325.359 4.193 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc3cc(C#N)ccc3n2)C1 ZINC000302041455 1056013449 /nfs/dbraw/zinc/01/34/49/1056013449.db2.gz LOKBSJAGQZBDRD-PKOBYXMFSA-N 1 0 348.494 4.197 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000302087999 1056015847 /nfs/dbraw/zinc/01/58/47/1056015847.db2.gz ZUCAUICHPULNNJ-JKSUJKDBSA-N 1 0 331.891 4.302 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000302095354 1056016737 /nfs/dbraw/zinc/01/67/37/1056016737.db2.gz IUDLIMWNABZRPR-OAQYLSRUSA-N 1 0 333.435 4.010 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000302134327 1056023331 /nfs/dbraw/zinc/02/33/31/1056023331.db2.gz ZGVVFEKXWUCOFF-UHFFFAOYSA-N 1 0 347.462 4.359 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCCC1 ZINC000108364289 1056035170 /nfs/dbraw/zinc/03/51/70/1056035170.db2.gz DEDQVUDFKYMXCA-UHFFFAOYSA-N 1 0 345.512 4.090 20 30 EIEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000108367237 1056037422 /nfs/dbraw/zinc/03/74/22/1056037422.db2.gz KFTDHQGKPNJKDU-LSDHHAIUSA-N 1 0 333.501 4.143 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2c(C#N)cccc2C#N)C1 ZINC000302862539 1056080882 /nfs/dbraw/zinc/08/08/82/1056080882.db2.gz WEUUCDIKRNZHQW-QGZVFWFLSA-N 1 0 344.462 4.274 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc3cnccc3c2)cc(OC)c1OC ZINC000785450542 1056089913 /nfs/dbraw/zinc/08/99/13/1056089913.db2.gz BEOHRBGWVNRUDC-UHFFFAOYSA-N 1 0 348.446 4.270 20 30 EIEDRO N#CCC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000542854654 1056284450 /nfs/dbraw/zinc/28/44/50/1056284450.db2.gz UNUYVUGRXFEIQK-UHFFFAOYSA-N 1 0 344.256 4.123 20 30 EIEDRO N#Cc1cnc2ccccc2c1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303777668 1056287701 /nfs/dbraw/zinc/28/77/01/1056287701.db2.gz KGBMGJDETQBCCR-IBGZPJMESA-N 1 0 342.446 4.183 20 30 EIEDRO CC[NH+](CC)CCCC1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000542945282 1056829226 /nfs/dbraw/zinc/82/92/26/1056829226.db2.gz OEFUCEKJOOCMFG-UHFFFAOYSA-N 1 0 331.479 4.031 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)c1ccc(F)cc1 ZINC000741791995 1058375271 /nfs/dbraw/zinc/37/52/71/1058375271.db2.gz WFGXMRLPLZXJKX-HXUWFJFHSA-N 1 0 344.405 4.028 20 30 EIEDRO COc1ccc(C[NH2+]CCOc2ccccc2C(C)(C)C)cc1C#N ZINC000742370147 1058576855 /nfs/dbraw/zinc/57/68/55/1058576855.db2.gz SFWYAPYKNHSCHA-UHFFFAOYSA-N 1 0 338.451 4.033 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CC[C@H](C)c2ccc(OC)cc2)cc1 ZINC000742373727 1058598078 /nfs/dbraw/zinc/59/80/78/1058598078.db2.gz IGMGCRWCHSTWMA-SFHVURJKSA-N 1 0 337.463 4.381 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2cc3c(s2)CCCC3)cc1 ZINC000742718663 1058733207 /nfs/dbraw/zinc/73/32/07/1058733207.db2.gz UOSHURMNRRTHTI-UHFFFAOYSA-N 1 0 339.508 4.267 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CSCc3ccccc32)cc1 ZINC000742725184 1058740711 /nfs/dbraw/zinc/74/07/11/1058740711.db2.gz IUTNXTIQNVIAHC-HXUWFJFHSA-N 1 0 337.492 4.114 20 30 EIEDRO CCCCCCCC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000742948959 1058820698 /nfs/dbraw/zinc/82/06/98/1058820698.db2.gz IFQYRAQOKSQCTD-FQEVSTJZSA-N 1 0 330.516 4.327 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743261773 1058905998 /nfs/dbraw/zinc/90/59/98/1058905998.db2.gz KGBDAMFOEDOQMY-NRFANRHFSA-N 1 0 325.452 4.034 20 30 EIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000743868622 1059185028 /nfs/dbraw/zinc/18/50/28/1059185028.db2.gz FBJWSMPETYBXDN-OAQYLSRUSA-N 1 0 340.442 4.427 20 30 EIEDRO NC(=[NH+]OC/C=C\c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000744445661 1059520019 /nfs/dbraw/zinc/52/00/19/1059520019.db2.gz DLVMERAQFQFVFP-YFHOEESVSA-N 1 0 335.451 4.027 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)Cn1cnc2cc(C)c(C)cc21 ZINC000745162779 1059766138 /nfs/dbraw/zinc/76/61/38/1059766138.db2.gz YGACXTRXYHTKAB-UHFFFAOYSA-N 1 0 330.435 4.171 20 30 EIEDRO N#CCSCCC[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000745942764 1059918426 /nfs/dbraw/zinc/91/84/26/1059918426.db2.gz RGTSHELWMGLLDG-HNNXBMFYSA-N 1 0 328.403 4.489 20 30 EIEDRO CC[N@H+](CCc1cccs1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746070780 1060007315 /nfs/dbraw/zinc/00/73/15/1060007315.db2.gz ZFXPYHCNONEONE-UHFFFAOYSA-N 1 0 336.464 4.005 20 30 EIEDRO C#C[C@H]([NH2+][C@H](C)CCc1cccnc1)c1ccc(Br)cc1 ZINC001205991010 1060272165 /nfs/dbraw/zinc/27/21/65/1060272165.db2.gz ZWDPAVJUVMNINQ-KDOFPFPSSA-N 1 0 343.268 4.129 20 30 EIEDRO CCCCCCC[C@H](C)CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000746413823 1060300759 /nfs/dbraw/zinc/30/07/59/1060300759.db2.gz KFCKSLXXHLDSJG-OALUTQOASA-N 1 0 337.552 4.110 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CC)C[C@H](C)CO)cc1 ZINC000766361344 1060313907 /nfs/dbraw/zinc/31/39/07/1060313907.db2.gz UHUIPWDAMDRAFK-JLJPHGGASA-N 1 0 325.880 4.266 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)cc1 ZINC000746453015 1060345878 /nfs/dbraw/zinc/34/58/78/1060345878.db2.gz FKSWNBNWLCGMRO-UHFFFAOYSA-N 1 0 336.410 4.407 20 30 EIEDRO COC(=O)C1(C)CCC([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001168791492 1060348473 /nfs/dbraw/zinc/34/84/73/1060348473.db2.gz XFVIGJNUNLOSTB-UHFFFAOYSA-N 1 0 334.504 4.437 20 30 EIEDRO COCC[C@@H](c1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001168875091 1060498807 /nfs/dbraw/zinc/49/88/07/1060498807.db2.gz WKRDDDVZBIKGDD-QFIPXVFZSA-N 1 0 332.447 4.425 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000766537899 1060514212 /nfs/dbraw/zinc/51/42/12/1060514212.db2.gz NGLBDBKYFJGLKW-HLLBOEOZSA-N 1 0 334.891 4.094 20 30 EIEDRO C#Cc1cccc(N(C)C(=O)c2ccc(C[N@@H+](CC)C(C)C)cc2)c1 ZINC000103030117 1060528366 /nfs/dbraw/zinc/52/83/66/1060528366.db2.gz UJZUMXOTNQHMEN-UHFFFAOYSA-N 1 0 334.463 4.175 20 30 EIEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001168979417 1060550922 /nfs/dbraw/zinc/55/09/22/1060550922.db2.gz DZNNEAXEKGWAMA-SUMWQHHRSA-N 1 0 333.863 4.099 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2oc3ccccc3c2C)cc1 ZINC001168982911 1060552712 /nfs/dbraw/zinc/55/27/12/1060552712.db2.gz UJZMYSCELLHMHD-INIZCTEOSA-N 1 0 346.430 4.402 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)cc1 ZINC001169364786 1060780620 /nfs/dbraw/zinc/78/06/20/1060780620.db2.gz FRXTZXNXKCPXLI-UYAOXDASSA-N 1 0 326.484 4.191 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H]2CCC(C)C)c1C#N ZINC001169364225 1060780718 /nfs/dbraw/zinc/78/07/18/1060780718.db2.gz CNXJGRNMIWOGNI-BEFAXECRSA-N 1 0 328.456 4.039 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC001169536280 1060848736 /nfs/dbraw/zinc/84/87/36/1060848736.db2.gz AEFKTRGEYWKXLY-KRWDZBQOSA-N 1 0 339.508 4.115 20 30 EIEDRO CC1(C)CCc2ccccc2[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)C1 ZINC001169667745 1060892901 /nfs/dbraw/zinc/89/29/01/1060892901.db2.gz WGINWUSVGYVMBR-HXUWFJFHSA-N 1 0 347.462 4.190 20 30 EIEDRO N#Cc1ccccc1OCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC001169677389 1060894600 /nfs/dbraw/zinc/89/46/00/1060894600.db2.gz ZPBXKJQTYBLHOD-WKCHPHFGSA-N 1 0 332.447 4.348 20 30 EIEDRO C=CCc1c(Cl)ncnc1N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001169683699 1060896489 /nfs/dbraw/zinc/89/64/89/1060896489.db2.gz NISGJDHCOZOUCY-HNNXBMFYSA-N 1 0 328.847 4.099 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(C(F)(F)F)c(C#N)n1 ZINC001169682361 1060896538 /nfs/dbraw/zinc/89/65/38/1060896538.db2.gz BMNLEXOHTXCIFP-AWEZNQCLSA-N 1 0 346.356 4.212 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncc(Cl)c(C)c1C#N ZINC001169684766 1060897820 /nfs/dbraw/zinc/89/78/20/1060897820.db2.gz LQIUGHJQAZRTCJ-INIZCTEOSA-N 1 0 326.831 4.155 20 30 EIEDRO C[NH+](C)CCC(C)(C)Nc1cc(Br)cc(Cl)c1C#N ZINC001169718057 1060919366 /nfs/dbraw/zinc/91/93/66/1060919366.db2.gz JKEUSMNOKIDKBJ-UHFFFAOYSA-N 1 0 344.684 4.116 20 30 EIEDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC001169853695 1061000295 /nfs/dbraw/zinc/00/02/95/1061000295.db2.gz HHCGKDCDMYJKIU-PXNSSMCTSA-N 1 0 347.462 4.073 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC001169900515 1061025823 /nfs/dbraw/zinc/02/58/23/1061025823.db2.gz MXLZVVKVXXNOEO-OXQOHEQNSA-N 1 0 339.870 4.283 20 30 EIEDRO CC[NH+](CC)Cc1cc(NC2=CC(=O)CC(C)(C)C2)ccc1OC ZINC001169952525 1061049539 /nfs/dbraw/zinc/04/95/39/1061049539.db2.gz BNGNRCYEZVZPGA-UHFFFAOYSA-N 1 0 330.472 4.222 20 30 EIEDRO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000729685220 1032164033 /nfs/dbraw/zinc/16/40/33/1032164033.db2.gz YPOYFUHLJANOGY-MGPUTAFESA-N 1 0 336.435 4.153 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000195252386 1032215862 /nfs/dbraw/zinc/21/58/62/1032215862.db2.gz QORGCQRFTBIJKO-FCHUYYIVSA-N 1 0 349.478 4.046 20 30 EIEDRO CC[NH+](CC)CCCSc1nc(C)cc(C(F)(F)F)c1C#N ZINC000475944549 1032390027 /nfs/dbraw/zinc/39/00/27/1032390027.db2.gz FREJRBBFMCXUNT-UHFFFAOYSA-N 1 0 331.407 4.105 20 30 EIEDRO CCC1CCC([N@H+](CCC(=O)Nc2sccc2C#N)C2CC2)CC1 ZINC000532919786 1032399251 /nfs/dbraw/zinc/39/92/51/1032399251.db2.gz PSVZZKXXBJWGLZ-UHFFFAOYSA-N 1 0 345.512 4.382 20 30 EIEDRO C[C@H](C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000532941975 1032404959 /nfs/dbraw/zinc/40/49/59/1032404959.db2.gz PGFUHMSXHBDBJM-MOPGFXCFSA-N 1 0 349.478 4.057 20 30 EIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000532989971 1032430051 /nfs/dbraw/zinc/43/00/51/1032430051.db2.gz BTXCKDJMRLXSHL-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1)CCC2 ZINC000245749890 1032459322 /nfs/dbraw/zinc/45/93/22/1032459322.db2.gz NOSRDWFKAONKPL-FZKQIMNGSA-N 1 0 341.480 4.252 20 30 EIEDRO Cc1[nH]c2ccccc2c1C1=CC[N@H+](CCCSCC#N)CC1 ZINC000177094862 1032494780 /nfs/dbraw/zinc/49/47/80/1032494780.db2.gz CDZHPBJIKHNVHV-UHFFFAOYSA-N 1 0 325.481 4.212 20 30 EIEDRO CC(=O)Nc1cccc2c1CC[N@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000178517919 1032534607 /nfs/dbraw/zinc/53/46/07/1032534607.db2.gz AJESHISOIPKGBG-UHFFFAOYSA-N 1 0 347.462 4.004 20 30 EIEDRO C=CCC1(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CCCCC1 ZINC000450514294 1032539664 /nfs/dbraw/zinc/53/96/64/1032539664.db2.gz CUVWGHHKRXKSNE-QZTJIDSGSA-N 1 0 332.532 4.282 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000178882098 1032541381 /nfs/dbraw/zinc/54/13/81/1032541381.db2.gz QASACWXQFPYLAW-UHFFFAOYSA-N 1 0 342.270 4.074 20 30 EIEDRO C=CCC[C@H](C)[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000447066720 1032590583 /nfs/dbraw/zinc/59/05/83/1032590583.db2.gz GZKOUJMVSCGSGF-ZDUSSCGKSA-N 1 0 334.261 4.079 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000180439319 1032591498 /nfs/dbraw/zinc/59/14/98/1032591498.db2.gz HPOKEJGXTYBOLX-AUUYWEPGSA-N 1 0 340.398 4.120 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1c(F)cc(C#N)cc1F)c1ccsc1 ZINC000500544742 1032626388 /nfs/dbraw/zinc/62/63/88/1032626388.db2.gz NNVSEXOQSLFBSF-MRXNPFEDSA-N 1 0 335.423 4.393 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1Nc1c(C#N)cnn1-c1ccccc1 ZINC001211988752 1032673314 /nfs/dbraw/zinc/67/33/14/1032673314.db2.gz DBMKXHRGFSYOIM-UHFFFAOYSA-N 1 0 345.450 4.329 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(CC#N)cc2)sc1Br ZINC000575922043 1032689397 /nfs/dbraw/zinc/68/93/97/1032689397.db2.gz AFGZBMFEFIQCRF-UHFFFAOYSA-N 1 0 335.270 4.175 20 30 EIEDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000512427858 1032746035 /nfs/dbraw/zinc/74/60/35/1032746035.db2.gz NSKLLILUAIZZTG-QAPCUYQASA-N 1 0 339.401 4.072 20 30 EIEDRO C[C@H](O)[C@@](C)(C[NH2+][C@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000616364109 1018856433 /nfs/dbraw/zinc/85/64/33/1018856433.db2.gz PXISAVFNIMCSMK-PDIWNELESA-N 1 0 348.490 4.155 20 30 EIEDRO CN(Cc1cccc(C#N)c1F)Cc1ccccc1OC(F)(F)F ZINC000512456085 1032819428 /nfs/dbraw/zinc/81/94/28/1032819428.db2.gz KMYDSCRJIVXODL-UHFFFAOYSA-N 1 0 338.304 4.228 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430235370 1019549519 /nfs/dbraw/zinc/54/95/19/1019549519.db2.gz DELKUOPTASSFHK-BBRMVZONSA-N 1 0 342.252 4.052 20 30 EIEDRO C#C[C@@H](NC(=O)CCC[NH+](CCC)CCC)c1ccc(Cl)cc1 ZINC001625821676 1019878597 /nfs/dbraw/zinc/87/85/97/1019878597.db2.gz QBOAUKRBQOTRTA-GOSISDBHSA-N 1 0 334.891 4.033 20 30 EIEDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C#N)s2)cc1F ZINC000134814074 1020021546 /nfs/dbraw/zinc/02/15/46/1020021546.db2.gz MSIRGNJEVKUGOJ-GFCCVEGCSA-N 1 0 340.427 4.104 20 30 EIEDRO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCCC#N ZINC000237813239 1032885048 /nfs/dbraw/zinc/88/50/48/1032885048.db2.gz DRNYPQJKXAKDSI-UHFFFAOYSA-N 1 0 337.254 4.271 20 30 EIEDRO C[NH2+]Cc1cn(-c2nc(C#N)c(Cl)cc2Cl)c2ccc(C)cc12 ZINC001167122386 1020261184 /nfs/dbraw/zinc/26/11/84/1020261184.db2.gz DYCGMQVPNFHDIE-UHFFFAOYSA-N 1 0 345.233 4.232 20 30 EIEDRO C=CCCCCCC[NH+]1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001209438597 1020335517 /nfs/dbraw/zinc/33/55/17/1020335517.db2.gz OVMAASBHUUFQCW-UHFFFAOYSA-N 1 0 349.540 4.406 20 30 EIEDRO C=CCCCCCCC[N@@H+]1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001209439585 1020345430 /nfs/dbraw/zinc/34/54/30/1020345430.db2.gz TXZCUENVBGYZEF-IBGZPJMESA-N 1 0 333.520 4.365 20 30 EIEDRO C#CC[N@@H+](C[C@@H](C)COCc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001167178900 1020485218 /nfs/dbraw/zinc/48/52/18/1020485218.db2.gz OQRCHKJRTAYKEX-AUSIDOKSSA-N 1 0 333.475 4.462 20 30 EIEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(OC)c(OC)c1 ZINC000510242537 1020573685 /nfs/dbraw/zinc/57/36/85/1020573685.db2.gz MNMHPOPPDVAVSB-GOSISDBHSA-N 1 0 343.854 4.450 20 30 EIEDRO C#CC[N@@H+](CC(=O)N[C@@H](CC)c1ccc(Cl)cc1)C1CCCCC1 ZINC001167273586 1020750232 /nfs/dbraw/zinc/75/02/32/1020750232.db2.gz MKHOHQDYFMPGMM-IBGZPJMESA-N 1 0 346.902 4.175 20 30 EIEDRO CCCCCCCC[NH+]1CCN(C(=O)Cc2ccccc2C)CC1 ZINC001167294245 1020898867 /nfs/dbraw/zinc/89/88/67/1020898867.db2.gz KCEQLBALPBZIQS-UHFFFAOYSA-N 1 0 330.516 4.042 20 30 EIEDRO COc1ccccc1[C@H]1CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001167309889 1021020061 /nfs/dbraw/zinc/02/00/61/1021020061.db2.gz JYJUPICQRCQLNK-HXUWFJFHSA-N 1 0 336.435 4.173 20 30 EIEDRO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccccc1-n1ccnn1 ZINC000340446380 1021042490 /nfs/dbraw/zinc/04/24/90/1021042490.db2.gz NSGFDXVAYZUBKG-XLIONFOSSA-N 1 0 345.450 4.353 20 30 EIEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C[C@@H]1C ZINC000340458084 1021052659 /nfs/dbraw/zinc/05/26/59/1021052659.db2.gz XYUCMFXIGBIYAH-FFGOWVMKSA-N 1 0 342.483 4.379 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)cc1 ZINC000512512310 1032967663 /nfs/dbraw/zinc/96/76/63/1032967663.db2.gz SSHFUKFLIZBNBP-UHFFFAOYSA-N 1 0 326.421 4.258 20 30 EIEDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000053232905 1021313563 /nfs/dbraw/zinc/31/35/63/1021313563.db2.gz ASDAYQRDQCWRPH-GFCCVEGCSA-N 1 0 347.871 4.295 20 30 EIEDRO CC(=NNc1cccc2ncccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000748134301 1021318552 /nfs/dbraw/zinc/31/85/52/1021318552.db2.gz VOSSGSQHLACZOC-UHFFFAOYSA-N 1 0 348.450 4.011 20 30 EIEDRO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000610343574 1021339326 /nfs/dbraw/zinc/33/93/26/1021339326.db2.gz LSUFASZRMYZISG-FVJLSDCUSA-N 1 0 349.478 4.255 20 30 EIEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c1 ZINC000580056601 1021579085 /nfs/dbraw/zinc/57/90/85/1021579085.db2.gz VLHRHPHZLSYAMI-RBUKOAKNSA-N 1 0 346.352 4.065 20 30 EIEDRO C[C@@H]1C[C@H](N(C)Cc2ccc(C#N)s2)CC[N@@H+]1Cc1ccccc1 ZINC000124062913 1021657280 /nfs/dbraw/zinc/65/72/80/1021657280.db2.gz NFNZIEQYHMRTMZ-SJLPKXTDSA-N 1 0 339.508 4.105 20 30 EIEDRO C[C@@H](CNc1ccc(Cl)cc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000511417352 1021660424 /nfs/dbraw/zinc/66/04/24/1021660424.db2.gz WBXNCJKNIWGKDP-LBPRGKRZSA-N 1 0 331.872 4.132 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cc(C#N)cs2)c(OC2CCCC2)c1 ZINC000177716996 1021665175 /nfs/dbraw/zinc/66/51/75/1021665175.db2.gz HSHYAOGRTFXZSB-UHFFFAOYSA-N 1 0 342.464 4.240 20 30 EIEDRO CC[C@@H](C)[C@@H](C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC001167355940 1021671407 /nfs/dbraw/zinc/67/14/07/1021671407.db2.gz FHFDBTCOBSLRMC-ZIAGYGMSSA-N 1 0 347.890 4.439 20 30 EIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(SC3CCCC3)cc2)CC1 ZINC000050028980 1021760197 /nfs/dbraw/zinc/76/01/97/1021760197.db2.gz JNNGHICWDIHHOG-UHFFFAOYSA-N 1 0 342.508 4.005 20 30 EIEDRO Cc1cn2cc(NC(=O)c3sc4ccc(C#N)cc4c3C)ccc2n1 ZINC000580455991 1021794156 /nfs/dbraw/zinc/79/41/56/1021794156.db2.gz IWLSORHAUZTQFL-UHFFFAOYSA-N 1 0 346.415 4.290 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000613242570 1021826517 /nfs/dbraw/zinc/82/65/17/1021826517.db2.gz DQVDQUDEFUAUPB-ILWGZMRPSA-N 1 0 332.447 4.446 20 30 EIEDRO C[NH+](C)[C@H](CNc1cccc(C(F)F)c1C#N)c1ccc(F)cc1 ZINC000581221971 1021838111 /nfs/dbraw/zinc/83/81/11/1021838111.db2.gz ZDSIKNKJMJHQMA-QGZVFWFLSA-N 1 0 333.357 4.350 20 30 EIEDRO C=CCC[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1ccco1 ZINC000683889973 1021879175 /nfs/dbraw/zinc/87/91/75/1021879175.db2.gz BTXLVGPOLLNGDS-NVXWUHKLSA-N 1 0 332.394 4.434 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc2nc(C)ccc2c1 ZINC000348648097 1021881137 /nfs/dbraw/zinc/88/11/37/1021881137.db2.gz RGQLDOXYDFEZIV-UHFFFAOYSA-N 1 0 336.435 4.207 20 30 EIEDRO C[C@H](C[NH2+]Cc1nc(C#N)cs1)c1c(Cl)cccc1Cl ZINC000581950391 1021892090 /nfs/dbraw/zinc/89/20/90/1021892090.db2.gz BHVWURLTFOTZQE-SECBINFHSA-N 1 0 326.252 4.215 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2c3ccc(F)cc3O[C@@H]2C)cc1OC ZINC000580357118 1021898260 /nfs/dbraw/zinc/89/82/60/1021898260.db2.gz XQPSERWYPYHOGD-ZUOKHONESA-N 1 0 343.398 4.011 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000613409459 1021972455 /nfs/dbraw/zinc/97/24/55/1021972455.db2.gz ZXDKRJPKLCXWCX-INIZCTEOSA-N 1 0 338.455 4.093 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415678057 1022009783 /nfs/dbraw/zinc/00/97/83/1022009783.db2.gz WBVWXIHNNOWKRT-UHFFFAOYSA-N 1 0 337.467 4.188 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000377833413 1022037147 /nfs/dbraw/zinc/03/71/47/1022037147.db2.gz DOQZXTNNPOQXPX-AZUAARDMSA-N 1 0 342.483 4.008 20 30 EIEDRO CC[C@H]([NH2+][C@@H](COC)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000278820837 1022062214 /nfs/dbraw/zinc/06/22/14/1022062214.db2.gz SMFAWIVZDQBNAA-OALUTQOASA-N 1 0 330.378 4.265 20 30 EIEDRO C[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(C#N)cc1Cl ZINC000580501954 1022121033 /nfs/dbraw/zinc/12/10/33/1022121033.db2.gz WOWDQZDWDFPTIN-XIKOKIGWSA-N 1 0 346.883 4.412 20 30 EIEDRO CC(C)Cc1ccc([C@@H](C[NH2+]CC(C)(C)CCC#N)N(C)C)cc1 ZINC000580563575 1022217713 /nfs/dbraw/zinc/21/77/13/1022217713.db2.gz AHHRTZTWZRFCAI-HXUWFJFHSA-N 1 0 329.532 4.407 20 30 EIEDRO C=CC[C@@H]1N(C(=O)Nc2ccccc2C[NH2+]CC)CCCC1(C)C ZINC000415928933 1022249912 /nfs/dbraw/zinc/24/99/12/1022249912.db2.gz GZHVEUNSIVAPQR-SFHVURJKSA-N 1 0 329.488 4.395 20 30 EIEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000472562679 1022257574 /nfs/dbraw/zinc/25/75/74/1022257574.db2.gz IWMAXBNOTAQASZ-LPHOPBHVSA-N 1 0 327.472 4.081 20 30 EIEDRO N#CCC1(C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000580692007 1022383800 /nfs/dbraw/zinc/38/38/00/1022383800.db2.gz LXSNUNWRXOJULL-UHFFFAOYSA-N 1 0 334.467 4.009 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000414300912 1022441413 /nfs/dbraw/zinc/44/14/13/1022441413.db2.gz MLDZCFICVVBZFO-DYESRHJHSA-N 1 0 336.479 4.226 20 30 EIEDRO C=C(C)C[N@@H+](CCc1ccc(F)c(F)c1)Cc1cnn(C(C)C)c1 ZINC000512542224 1033063821 /nfs/dbraw/zinc/06/38/21/1033063821.db2.gz MFWVJHDAKFIAOU-UHFFFAOYSA-N 1 0 333.426 4.363 20 30 EIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000471622871 1022565265 /nfs/dbraw/zinc/56/52/65/1022565265.db2.gz YSEFKELOXFSLMG-BSIFCXSSSA-N 1 0 338.426 4.400 20 30 EIEDRO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cc(OC(F)(F)F)c1 ZINC001143471977 1022670152 /nfs/dbraw/zinc/67/01/52/1022670152.db2.gz NXZXFTOLNAIXEA-UHFFFAOYSA-N 1 0 334.341 4.397 20 30 EIEDRO N#CC1(c2ccc(-n3nc(C[NH3+])c4ccccc43)cc2)CCCCC1 ZINC001167698047 1022684154 /nfs/dbraw/zinc/68/41/54/1022684154.db2.gz LFMLALCVENECJB-UHFFFAOYSA-N 1 0 330.435 4.210 20 30 EIEDRO C[C@H](NCc1cc(-c2ccccc2)on1)c1ccc(OCC#N)cc1 ZINC000181650310 1022687888 /nfs/dbraw/zinc/68/78/88/1022687888.db2.gz UMJKTBMUJKZJSA-HNNXBMFYSA-N 1 0 333.391 4.095 20 30 EIEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000186712880 1022738472 /nfs/dbraw/zinc/73/84/72/1022738472.db2.gz UPGAZXFIRABTAY-TVQRCGJNSA-N 1 0 341.295 4.312 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1OCCCC#N ZINC000064613770 1022823626 /nfs/dbraw/zinc/82/36/26/1022823626.db2.gz XVZVOVCTOCANPF-LJQANCHMSA-N 1 0 336.435 4.155 20 30 EIEDRO CCOc1ccc(CCC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000581144184 1022854834 /nfs/dbraw/zinc/85/48/34/1022854834.db2.gz FFZJMPRDMUGYQG-WOJBJXKFSA-N 1 0 326.484 4.422 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000180932325 1022863055 /nfs/dbraw/zinc/86/30/55/1022863055.db2.gz AKLYGUULNPJMAU-ZHRRBRCNSA-N 1 0 343.430 4.004 20 30 EIEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)c1cccc(Br)c1 ZINC000236732136 1022869231 /nfs/dbraw/zinc/86/92/31/1022869231.db2.gz FXUCMKTUTRMUCU-UHFFFAOYSA-N 1 0 349.297 4.450 20 30 EIEDRO N#Cc1csc(C[NH2+]CCCc2cccc(Br)c2)c1 ZINC000610488727 1022897319 /nfs/dbraw/zinc/89/73/19/1022897319.db2.gz IGTDMOWQEBZTQL-UHFFFAOYSA-N 1 0 335.270 4.105 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1 ZINC000236684730 1022901084 /nfs/dbraw/zinc/90/10/84/1022901084.db2.gz BZJKKXSEHPYTQF-UHFFFAOYSA-N 1 0 332.447 4.292 20 30 EIEDRO C[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CCC1 ZINC001167452365 1022930745 /nfs/dbraw/zinc/93/07/45/1022930745.db2.gz BJEHOENCDFCJSC-KRWDZBQOSA-N 1 0 347.462 4.360 20 30 EIEDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001167454329 1023015331 /nfs/dbraw/zinc/01/53/31/1023015331.db2.gz TVSXYEBMONCPBM-IBGZPJMESA-N 1 0 327.472 4.178 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000185798220 1023073105 /nfs/dbraw/zinc/07/31/05/1023073105.db2.gz UGVLCAVJYUJVIC-GDBMZVCRSA-N 1 0 325.387 4.185 20 30 EIEDRO COc1cc(C#N)ccc1OCCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511597825 1023118870 /nfs/dbraw/zinc/11/88/70/1023118870.db2.gz VWRNZAQYTSUBOQ-QGZVFWFLSA-N 1 0 342.826 4.046 20 30 EIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000236690230 1023123006 /nfs/dbraw/zinc/12/30/06/1023123006.db2.gz TZRLELIZXUKBNY-UHFFFAOYSA-N 1 0 344.446 4.429 20 30 EIEDRO CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181479277 1023195689 /nfs/dbraw/zinc/19/56/89/1023195689.db2.gz WRYRKTKHOANJLI-UHFFFAOYSA-N 1 0 347.506 4.090 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000589740296 1023204333 /nfs/dbraw/zinc/20/43/33/1023204333.db2.gz PQMPEPXHIPJOSB-UHFFFAOYSA-N 1 0 345.487 4.028 20 30 EIEDRO COc1ccccc1CCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001167464068 1023236778 /nfs/dbraw/zinc/23/67/78/1023236778.db2.gz FKUPGXZBVIUVIN-NHCUHLMSSA-N 1 0 334.463 4.400 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CS1 ZINC000414503119 1023250200 /nfs/dbraw/zinc/25/02/00/1023250200.db2.gz VSWVKYYWHZEVMR-DNVCBOLYSA-N 1 0 338.476 4.121 20 30 EIEDRO COc1ncc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000417374737 1023287548 /nfs/dbraw/zinc/28/75/48/1023287548.db2.gz YNQQURBDPLXFHN-KZULUSFZSA-N 1 0 341.842 4.343 20 30 EIEDRO C[C@H](CC(=O)Nc1sc2c(c1C#N)C[C@@H](C)C[C@H]2C)n1ccnc1 ZINC000584783275 1023314278 /nfs/dbraw/zinc/31/42/78/1023314278.db2.gz AAVRQQSKBJLDPX-YNEHKIRRSA-N 1 0 342.468 4.092 20 30 EIEDRO C[C@@H](c1ccccc1)[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000376824231 1023320888 /nfs/dbraw/zinc/32/08/88/1023320888.db2.gz URHAQHLMXKOHPB-INIZCTEOSA-N 1 0 330.435 4.152 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)Cc1nc(-c2ccccc2)no1)c1ccc(C#N)cc1 ZINC000377075782 1023367381 /nfs/dbraw/zinc/36/73/81/1023367381.db2.gz CVIKEAYZQUAEHI-BEFAXECRSA-N 1 0 346.434 4.280 20 30 EIEDRO C[C@H]1CCC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000341225995 1023399915 /nfs/dbraw/zinc/39/99/15/1023399915.db2.gz VERWFQBAFFFUCE-DOTOQJQBSA-N 1 0 347.890 4.097 20 30 EIEDRO CC(C)(C)N1CC[C@H]([NH2+]CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549476620 1023404144 /nfs/dbraw/zinc/40/41/44/1023404144.db2.gz FYXWLVXFMPWASO-IRXDYDNUSA-N 1 0 349.881 4.286 20 30 EIEDRO CC(C)C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000549161295 1023406224 /nfs/dbraw/zinc/40/62/24/1023406224.db2.gz ANCIQMLMHGHYNN-UWJYYQICSA-N 1 0 349.478 4.112 20 30 EIEDRO CN(C)[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000500001265 1023443850 /nfs/dbraw/zinc/44/38/50/1023443850.db2.gz JKGLMBRNCILANB-OOMBGRCJSA-N 1 0 347.506 4.283 20 30 EIEDRO C[N@H+](CCCOc1cccc(C#N)c1)Cc1nc2ccccc2s1 ZINC000477146752 1023461599 /nfs/dbraw/zinc/46/15/99/1023461599.db2.gz CPDOFDMGESSDQF-UHFFFAOYSA-N 1 0 337.448 4.069 20 30 EIEDRO Cc1cc(C)c(C#N)c(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000477170320 1023469168 /nfs/dbraw/zinc/46/91/68/1023469168.db2.gz MCRJCKALLOAZER-SFHVURJKSA-N 1 0 340.515 4.051 20 30 EIEDRO CCCCOc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1OC ZINC000236660201 1023605757 /nfs/dbraw/zinc/60/57/57/1023605757.db2.gz YMDISCXOJULHFB-UHFFFAOYSA-N 1 0 342.414 4.175 20 30 EIEDRO C=CCCOCC[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000090883799 1023611435 /nfs/dbraw/zinc/61/14/35/1023611435.db2.gz QXFGCYOOAKRFQP-HNNXBMFYSA-N 1 0 330.497 4.286 20 30 EIEDRO N#Cc1cc2c(nc1NCc1cccc(C[NH+]3CCCC3)c1)CCCC2 ZINC000500261578 1023631255 /nfs/dbraw/zinc/63/12/55/1023631255.db2.gz JWRSIDNNFHCWST-UHFFFAOYSA-N 1 0 346.478 4.040 20 30 EIEDRO COc1ccc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)cc1 ZINC000480781971 1023651988 /nfs/dbraw/zinc/65/19/88/1023651988.db2.gz WJVHYZVOHUUAMA-MRXNPFEDSA-N 1 0 326.827 4.210 20 30 EIEDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000472827190 1023669680 /nfs/dbraw/zinc/66/96/80/1023669680.db2.gz RFTOLCRUWNGXEF-GOSISDBHSA-N 1 0 338.455 4.399 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)Cc2ccccc2F)c1 ZINC000783253240 1023694112 /nfs/dbraw/zinc/69/41/12/1023694112.db2.gz ZUKGKYDSUISNJS-MAUKXSAKSA-N 1 0 326.415 4.227 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415579793 1023705394 /nfs/dbraw/zinc/70/53/94/1023705394.db2.gz KQFJQBHCFQDMEW-NVXWUHKLSA-N 1 0 329.488 4.178 20 30 EIEDRO N#C[C@H]1CC[C@@H](N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000559108099 1023733949 /nfs/dbraw/zinc/73/39/49/1023733949.db2.gz ZMMSNGSIPSWYMX-LEWJYISDSA-N 1 0 337.511 4.199 20 30 EIEDRO Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(CCC#N)CC3)n2)cc1F ZINC000564916164 1023745050 /nfs/dbraw/zinc/74/50/50/1023745050.db2.gz KKDZBKSTTMHRRK-AWEZNQCLSA-N 1 0 342.418 4.261 20 30 EIEDRO N#Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511659814 1023759682 /nfs/dbraw/zinc/75/96/82/1023759682.db2.gz XKGOKAXIRUYFTQ-SFHVURJKSA-N 1 0 345.368 4.263 20 30 EIEDRO Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)C(C)(C)C#N ZINC001143401362 1023817938 /nfs/dbraw/zinc/81/79/38/1023817938.db2.gz KCGJDLVIWQYDLF-UHFFFAOYSA-N 1 0 346.434 4.251 20 30 EIEDRO CC(C)(C)[N@H+](CCCC(C)(C)C#N)CC(=O)Nc1ccc(F)cc1 ZINC000432021058 1023833372 /nfs/dbraw/zinc/83/33/72/1023833372.db2.gz RTUUBIQTNAQYIF-UHFFFAOYSA-N 1 0 333.451 4.195 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)cc1 ZINC001140464446 1023862777 /nfs/dbraw/zinc/86/27/77/1023862777.db2.gz QDJZCEATMLIDMP-UHFFFAOYSA-N 1 0 326.827 4.297 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511769123 1023875885 /nfs/dbraw/zinc/87/58/85/1023875885.db2.gz MMCOUKROULFSBA-MJGOQNOKSA-N 1 0 328.500 4.006 20 30 EIEDRO N#Cc1ccc(OCC[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000341584254 1023891303 /nfs/dbraw/zinc/89/13/03/1023891303.db2.gz IUVWURFJNNHWAG-QGZVFWFLSA-N 1 0 334.341 4.220 20 30 EIEDRO N#CCC1(C[NH2+]C(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000430732874 1023982719 /nfs/dbraw/zinc/98/27/19/1023982719.db2.gz CFZXAARSPYUPIY-UHFFFAOYSA-N 1 0 340.417 4.402 20 30 EIEDRO N#CCC1(C[NH2+][C@@H]2CCc3c2cc(Cl)cc3Br)CC1 ZINC000430738860 1023995812 /nfs/dbraw/zinc/99/58/12/1023995812.db2.gz GMDAUBXOIMZNQD-CQSZACIVSA-N 1 0 339.664 4.373 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)c1ccc(C)cc1 ZINC000181705938 1024009331 /nfs/dbraw/zinc/00/93/31/1024009331.db2.gz QKYCCDMABOPXBI-RDTXWAMCSA-N 1 0 339.439 4.144 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]CC2(CC#N)CC2)c2cc(Br)ccc21 ZINC000430762475 1024016291 /nfs/dbraw/zinc/01/62/91/1024016291.db2.gz OFZULARTKRYBJJ-OAHLLOKOSA-N 1 0 333.273 4.455 20 30 EIEDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000510685418 1024230986 /nfs/dbraw/zinc/23/09/86/1024230986.db2.gz SSIMLWRAOZMDAB-VXKWHMMOSA-N 1 0 334.463 4.351 20 30 EIEDRO COc1ccc(C[C@@H]([NH2+]CCCCC#N)c2ccccc2)cc1OC ZINC000341662811 1024242671 /nfs/dbraw/zinc/24/26/71/1024242671.db2.gz XKFWHXTZQMRASR-LJQANCHMSA-N 1 0 338.451 4.271 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000661118144 1024243578 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CCOc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)cc(Cl)c1OC ZINC000127384837 1024403782 /nfs/dbraw/zinc/40/37/82/1024403782.db2.gz FSHADLGLJXBIBD-UHFFFAOYSA-N 1 0 344.842 4.251 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000510791751 1024489661 /nfs/dbraw/zinc/48/96/61/1024489661.db2.gz VYUJYKHFLXMXNA-QGZVFWFLSA-N 1 0 349.478 4.281 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+](Cc3ccccc3)[C@@H](CO)C3CC3)cc2)CC1 ZINC000597084524 1024549682 /nfs/dbraw/zinc/54/96/82/1024549682.db2.gz WGIWNJZQAHLYRT-QFIPXVFZSA-N 1 0 346.474 4.015 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(OC)c1 ZINC000341758518 1024616342 /nfs/dbraw/zinc/61/63/42/1024616342.db2.gz QMUVNRNKKRTLOP-XOBRGWDASA-N 1 0 336.435 4.304 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341762369 1024628393 /nfs/dbraw/zinc/62/83/93/1024628393.db2.gz URVZTDNVYJNFIX-AUUYWEPGSA-N 1 0 334.419 4.058 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000341883078 1024863874 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C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CC[C@H](C(=O)OC)CC2)cc1 ZINC001167830220 1025719404 /nfs/dbraw/zinc/71/94/04/1025719404.db2.gz CPTTTWSISWWBPF-MISYRCLQSA-N 1 0 342.483 4.153 20 30 EIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000536417763 1025729483 /nfs/dbraw/zinc/72/94/83/1025729483.db2.gz YYEZUNRQQSDKTR-HNNXBMFYSA-N 1 0 326.415 4.017 20 30 EIEDRO C=C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512029517 1025793283 /nfs/dbraw/zinc/79/32/83/1025793283.db2.gz CTSZOQADEVKDMY-NXEZZACHSA-N 1 0 334.769 4.240 20 30 EIEDRO COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1 ZINC000585765123 1025826891 /nfs/dbraw/zinc/82/68/91/1025826891.db2.gz JFGMMACNLGWSIX-VKPKAYIDSA-N 1 0 332.447 4.336 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CCCn2ccnc2C)C(C)(C)C)cc1 ZINC000536474747 1025860554 /nfs/dbraw/zinc/86/05/54/1025860554.db2.gz AGFZZJGZLQEABB-UHFFFAOYSA-N 1 0 341.499 4.447 20 30 EIEDRO C[N@H+](CCOc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000215889331 1025861306 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CC(C)([NH2+]CCOc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000551350009 1026157690 /nfs/dbraw/zinc/15/76/90/1026157690.db2.gz MJIUBLXRNFFCHT-UHFFFAOYSA-N 1 0 348.368 4.481 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000472163960 1026162837 /nfs/dbraw/zinc/16/28/37/1026162837.db2.gz RMHZSKGPGASIDC-LJQANCHMSA-N 1 0 343.515 4.039 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCC2Cc3ccccc3C2)c1 ZINC000582129798 1026212501 /nfs/dbraw/zinc/21/25/01/1026212501.db2.gz CRCHYLRRIRRITL-UHFFFAOYSA-N 1 0 334.463 4.264 20 30 EIEDRO C=C(C)C[N@H+](CCSCc1ccccc1)Cc1ccc(CO)o1 ZINC000512183122 1026270220 /nfs/dbraw/zinc/27/02/20/1026270220.db2.gz UIKBPSMLFXLNKB-UHFFFAOYSA-N 1 0 331.481 4.083 20 30 EIEDRO CCC(CC)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000552009703 1026335306 /nfs/dbraw/zinc/33/53/06/1026335306.db2.gz PCZUNNVZXNQUQJ-UHFFFAOYSA-N 1 0 333.863 4.193 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](CCO)c2ccccc2)cc1Cl ZINC000344434405 1026392677 /nfs/dbraw/zinc/39/26/77/1026392677.db2.gz BVPREIYFQGUIMV-SFHVURJKSA-N 1 0 331.843 4.118 20 30 EIEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000582273542 1026399384 /nfs/dbraw/zinc/39/93/84/1026399384.db2.gz WANWXOOAHYPGSQ-ZDUSSCGKSA-N 1 0 348.368 4.346 20 30 EIEDRO CC[C@H](C)C[N@H+](CC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167562430 1026429250 /nfs/dbraw/zinc/42/92/50/1026429250.db2.gz LAUAXJBHINZNSR-HNNXBMFYSA-N 1 0 349.906 4.263 20 30 EIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)C3(C#N)CCCCC3)c2C1 ZINC000158385037 1026463512 /nfs/dbraw/zinc/46/35/12/1026463512.db2.gz DAITWTSDWPZFKD-UHFFFAOYSA-N 1 0 325.456 4.071 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000478242125 1026529823 /nfs/dbraw/zinc/52/98/23/1026529823.db2.gz XVJLBERWSQNURT-HNNXBMFYSA-N 1 0 346.261 4.234 20 30 EIEDRO Cn1cc(C[NH2+]CC(C)(C)C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000478379638 1026550681 /nfs/dbraw/zinc/55/06/81/1026550681.db2.gz BIIDZFZSUSRXHG-UHFFFAOYSA-N 1 0 336.483 4.265 20 30 EIEDRO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCCCC1 ZINC000096994765 1026618317 /nfs/dbraw/zinc/61/83/17/1026618317.db2.gz NLEGBMJFTPHETP-UHFFFAOYSA-N 1 0 337.467 4.392 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Br)c(F)c1 ZINC000507205150 1026692445 /nfs/dbraw/zinc/69/24/45/1026692445.db2.gz UQBROGQFDXZAFH-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccc(C#N)cc1 ZINC000507210926 1026702590 /nfs/dbraw/zinc/70/25/90/1026702590.db2.gz LDSSUEWJMJUASP-UHFFFAOYSA-N 1 0 347.374 4.358 20 30 EIEDRO C=CCOc1c(Br)cc(C[N@@H+](CC)C2CC2)cc1OC ZINC000507236623 1026713051 /nfs/dbraw/zinc/71/30/51/1026713051.db2.gz XTACSTYOKSHWHL-UHFFFAOYSA-N 1 0 340.261 4.007 20 30 EIEDRO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c(OC(F)F)cc1C ZINC000507250437 1026716748 /nfs/dbraw/zinc/71/67/48/1026716748.db2.gz AFNZSBREBOWOFV-UHFFFAOYSA-N 1 0 330.378 4.409 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000507254963 1026724699 /nfs/dbraw/zinc/72/46/99/1026724699.db2.gz YAPMCMHLJPFBKC-UHFFFAOYSA-N 1 0 342.826 4.005 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2CC(C)C)c1 ZINC000500461293 1026770296 /nfs/dbraw/zinc/77/02/96/1026770296.db2.gz WPAUBDLOSOPGBE-LJQANCHMSA-N 1 0 341.499 4.061 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000512359516 1026803672 /nfs/dbraw/zinc/80/36/72/1026803672.db2.gz HTVINJQVOSCNEH-DYEKYZERSA-N 1 0 344.318 4.451 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+][C@@H]3CCCC[C@@H]3C3CC3)CC2)nc1 ZINC000507470065 1026805427 /nfs/dbraw/zinc/80/54/27/1026805427.db2.gz LUCNRKJRJYJJFA-NTFDOXNWSA-N 1 0 339.483 4.202 20 30 EIEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000479418200 1026816064 /nfs/dbraw/zinc/81/60/64/1026816064.db2.gz DNFXUMTUCQOWQJ-ACAXCVFMSA-N 1 0 339.483 4.225 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000507508335 1026821365 /nfs/dbraw/zinc/82/13/65/1026821365.db2.gz IVRGHEQGMIGDCK-HOTGVXAUSA-N 1 0 334.529 4.262 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000507509383 1026821605 /nfs/dbraw/zinc/82/16/05/1026821605.db2.gz KYQMHDUQCFCYID-JKSUJKDBSA-N 1 0 332.513 4.038 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCNc2ccccc2)CC1 ZINC000507601674 1026850434 /nfs/dbraw/zinc/85/04/34/1026850434.db2.gz PDRTZXIWBDGWGW-UHFFFAOYSA-N 1 0 333.479 4.482 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000507611100 1026853889 /nfs/dbraw/zinc/85/38/89/1026853889.db2.gz NMYLKCJGBYXNRT-ZWKOTPCHSA-N 1 0 342.462 4.124 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1OCC ZINC000120095289 1026856966 /nfs/dbraw/zinc/85/69/66/1026856966.db2.gz AYLKSFGWCOLLIM-CQSZACIVSA-N 1 0 342.414 4.346 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000507639884 1026857702 /nfs/dbraw/zinc/85/77/02/1026857702.db2.gz YBEDDCPOGTZFCW-DHHCDUQHSA-N 1 0 332.447 4.373 20 30 EIEDRO C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1cc2ccccc2o1 ZINC000342700037 1026858704 /nfs/dbraw/zinc/85/87/04/1026858704.db2.gz JTRIAXNOKMMXHE-ZDUSSCGKSA-N 1 0 344.374 4.205 20 30 EIEDRO COc1cccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507636198 1026860042 /nfs/dbraw/zinc/86/00/42/1026860042.db2.gz MMFUUHNZPUIGMO-UHFFFAOYSA-N 1 0 334.463 4.231 20 30 EIEDRO C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)N1CCC[C@@H](C)C1 ZINC000507654478 1026862571 /nfs/dbraw/zinc/86/25/71/1026862571.db2.gz UJOPDWMARNFMEH-ONZKCSKKSA-N 1 0 339.527 4.101 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000277749591 1026867784 /nfs/dbraw/zinc/86/77/84/1026867784.db2.gz IXFZBMZIHNWPAT-IUODEOHRSA-N 1 0 348.372 4.241 20 30 EIEDRO C=CCN(CC=C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC ZINC000611664352 1026874375 /nfs/dbraw/zinc/87/43/75/1026874375.db2.gz BNAMCMFPQKQFLQ-SFHVURJKSA-N 1 0 349.906 4.107 20 30 EIEDRO Cc1c2ccccc2oc1C[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000115620206 1026883955 /nfs/dbraw/zinc/88/39/55/1026883955.db2.gz NHVKFHYEMUDKKJ-UHFFFAOYSA-N 1 0 333.435 4.381 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000280795428 1026892814 /nfs/dbraw/zinc/89/28/14/1026892814.db2.gz JXAVTNCQPADFJQ-UNEWFSDZSA-N 1 0 343.496 4.145 20 30 EIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000342740123 1026926327 /nfs/dbraw/zinc/92/63/27/1026926327.db2.gz ULHIVVCTXMXTBP-HXUWFJFHSA-N 1 0 344.462 4.075 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000153019247 1026929061 /nfs/dbraw/zinc/92/90/61/1026929061.db2.gz FAQZGEPYJFUSIZ-HNNXBMFYSA-N 1 0 334.529 4.108 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCc2cccc(Br)c2)cc1 ZINC000609419893 1026939210 /nfs/dbraw/zinc/93/92/10/1026939210.db2.gz JOLZJJOAHBDSAS-UHFFFAOYSA-N 1 0 329.241 4.043 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)cc1OC ZINC000342763642 1026966688 /nfs/dbraw/zinc/96/66/88/1026966688.db2.gz CSRCMANFVYGBCO-LJQANCHMSA-N 1 0 336.435 4.107 20 30 EIEDRO COc1cc(OC)cc(C2(F)CC[NH+](CCCC(C)(C)C#N)CC2)c1 ZINC000519763133 1026978145 /nfs/dbraw/zinc/97/81/45/1026978145.db2.gz AXMYTFQHBQEWTJ-UHFFFAOYSA-N 1 0 348.462 4.294 20 30 EIEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472245769 1026998411 /nfs/dbraw/zinc/99/84/11/1026998411.db2.gz ZYJTYMIJLFAQIX-UWVAXJGDSA-N 1 0 349.478 4.391 20 30 EIEDRO CC[C@@H](C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000075618214 1027052795 /nfs/dbraw/zinc/05/27/95/1027052795.db2.gz MXSKSURFQVWLOT-MRXNPFEDSA-N 1 0 346.434 4.409 20 30 EIEDRO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000441051050 1027220133 /nfs/dbraw/zinc/22/01/33/1027220133.db2.gz PVVBKCKQIQUJGZ-IERDGZPVSA-N 1 0 334.463 4.312 20 30 EIEDRO C=C1CCC(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000896121856 1027246652 /nfs/dbraw/zinc/24/66/52/1027246652.db2.gz ZRGUOVWOTOZBHT-UHFFFAOYSA-N 1 0 340.511 4.103 20 30 EIEDRO C=CC[N@H+](Cc1cc(C)cc(C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000520195060 1027303510 /nfs/dbraw/zinc/30/35/10/1027303510.db2.gz RHWVEEBIMGJZRT-SFHVURJKSA-N 1 0 347.466 4.028 20 30 EIEDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000342857477 1027321570 /nfs/dbraw/zinc/32/15/70/1027321570.db2.gz MGEHIDWAUQMZEO-FQEVSTJZSA-N 1 0 344.462 4.399 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1 ZINC000520213372 1027326433 /nfs/dbraw/zinc/32/64/33/1027326433.db2.gz AICDZVAPRUTNMK-GHTZIAJQSA-N 1 0 336.479 4.177 20 30 EIEDRO CO[C@H]1CCCC[C@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000441251840 1027386933 /nfs/dbraw/zinc/38/69/33/1027386933.db2.gz DJFKTYNRAWMVKK-YADHBBJMSA-N 1 0 348.490 4.434 20 30 EIEDRO C=CC[N@@H+](CCC(C)(C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441318383 1027445787 /nfs/dbraw/zinc/44/57/87/1027445787.db2.gz OLMJIYDVALVYDM-MRXNPFEDSA-N 1 0 327.476 4.038 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(OC)c1 ZINC000327161405 1027446774 /nfs/dbraw/zinc/44/67/74/1027446774.db2.gz XAQLLGNPKNFUAW-GJZGRUSLSA-N 1 0 340.423 4.018 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccc(Br)cn2)c1 ZINC000475498417 1027473932 /nfs/dbraw/zinc/47/39/32/1027473932.db2.gz OMOGLMBUIJZMDW-CYBMUJFWSA-N 1 0 347.256 4.260 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000441341242 1027478918 /nfs/dbraw/zinc/47/89/18/1027478918.db2.gz TVJHAIIRZUXMQM-UHFFFAOYSA-N 1 0 326.362 4.047 20 30 EIEDRO COc1cc(Cl)c(C[NH2+]CC2CCC(C#N)CC2)cc1Cl ZINC000441345666 1027485015 /nfs/dbraw/zinc/48/50/15/1027485015.db2.gz HGTFOOJWJLCLDN-UHFFFAOYSA-N 1 0 327.255 4.422 20 30 EIEDRO CCCCOc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1OC ZINC000441373511 1027496540 /nfs/dbraw/zinc/49/65/40/1027496540.db2.gz BFHLIEBGZIKASB-UHFFFAOYSA-N 1 0 330.472 4.294 20 30 EIEDRO C=CCCC1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC1 ZINC000474792313 1027517149 /nfs/dbraw/zinc/51/71/49/1027517149.db2.gz MBAZCPAWFCANLM-SFHVURJKSA-N 1 0 346.902 4.340 20 30 EIEDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000474815173 1027537413 /nfs/dbraw/zinc/53/74/13/1027537413.db2.gz DSAHWYQRZIUMLJ-FVELJTHGSA-N 1 0 342.483 4.043 20 30 EIEDRO N#Cc1c(C[NH+]2CCC(COc3ccccc3)CC2)cn2ccccc12 ZINC000065612877 1027562405 /nfs/dbraw/zinc/56/24/05/1027562405.db2.gz HIHAZHWNLCORMH-UHFFFAOYSA-N 1 0 345.446 4.102 20 30 EIEDRO Cc1ccn2cc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)nc2c1 ZINC000582880319 1027563832 /nfs/dbraw/zinc/56/38/32/1027563832.db2.gz JSBJFCBOUHPWRU-FQEVSTJZSA-N 1 0 330.435 4.072 20 30 EIEDRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)CC1CCC(C#N)CC1 ZINC001167990244 1027565019 /nfs/dbraw/zinc/56/50/19/1027565019.db2.gz OSVJIGGRAOEODT-UHFFFAOYSA-N 1 0 347.890 4.320 20 30 EIEDRO CC1CC[NH+](CCc2cccc(NC(=O)CC3(O)CCCC3)c2)CC1 ZINC000329080254 1027582074 /nfs/dbraw/zinc/58/20/74/1027582074.db2.gz CLTSIKZAZBUESH-UHFFFAOYSA-N 1 0 344.499 4.244 20 30 EIEDRO Cc1cccc(OC[C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000237474184 1027597533 /nfs/dbraw/zinc/59/75/33/1027597533.db2.gz NXVLPQUEUYRAFJ-SFHVURJKSA-N 1 0 338.451 4.235 20 30 EIEDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000329188258 1027634953 /nfs/dbraw/zinc/63/49/53/1027634953.db2.gz BMOKLOUCCXQFDH-QGPMSJSTSA-N 1 0 349.519 4.131 20 30 EIEDRO CCc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000329187010 1027635332 /nfs/dbraw/zinc/63/53/32/1027635332.db2.gz QTXCFXPWLOYAGG-SJLPKXTDSA-N 1 0 340.471 4.068 20 30 EIEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329180561 1027635788 /nfs/dbraw/zinc/63/57/88/1027635788.db2.gz OGMOQAYPSHMNTG-IXDOHACOSA-N 1 0 328.456 4.168 20 30 EIEDRO CC[C@@H](C[N@H+](CC)CC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000186607575 1027656814 /nfs/dbraw/zinc/65/68/14/1027656814.db2.gz CZGYIJHTKVEJAB-HNNXBMFYSA-N 1 0 341.480 4.074 20 30 EIEDRO CC[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000329249039 1027670953 /nfs/dbraw/zinc/67/09/53/1027670953.db2.gz SUOSQYARNYBMGN-IRXDYDNUSA-N 1 0 346.471 4.130 20 30 EIEDRO CCOc1cc2c(cc1NC(=O)CC[C@H]1CCCC[N@@H+]1C)O[C@H](C)C2 ZINC000329252424 1027671136 /nfs/dbraw/zinc/67/11/36/1027671136.db2.gz VLMOPRPGQSWOLY-GDBMZVCRSA-N 1 0 346.471 4.261 20 30 EIEDRO CCOCCCC[NH+]=C(NCc1ccc(C)cc1)Nc1ccccc1 ZINC000303888969 1027692010 /nfs/dbraw/zinc/69/20/10/1027692010.db2.gz LUAOXEGIKNXCKD-UHFFFAOYSA-N 1 0 339.483 4.369 20 30 EIEDRO COc1ccc(NC(=[NH2+])NCc2ccccc2OCCC(C)C)cc1 ZINC000303983610 1027714306 /nfs/dbraw/zinc/71/43/06/1027714306.db2.gz RGQAVDRUVUCHTL-UHFFFAOYSA-N 1 0 341.455 4.047 20 30 EIEDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000507746610 1027729840 /nfs/dbraw/zinc/72/98/40/1027729840.db2.gz DOVVHJPNKPOECD-FDCMFXBMSA-N 1 0 327.472 4.059 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000329367557 1027752418 /nfs/dbraw/zinc/75/24/18/1027752418.db2.gz HMAONXMPAFVGMX-KBXCAEBGSA-N 1 0 342.418 4.024 20 30 EIEDRO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000329371613 1027755867 /nfs/dbraw/zinc/75/58/67/1027755867.db2.gz JASHPXPYIYHUQN-APWZRJJASA-N 1 0 338.455 4.275 20 30 EIEDRO C=CCCC1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000474898680 1027763966 /nfs/dbraw/zinc/76/39/66/1027763966.db2.gz RBJZBPWAVOFDEA-SFHVURJKSA-N 1 0 340.511 4.424 20 30 EIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000282013380 1027766155 /nfs/dbraw/zinc/76/61/55/1027766155.db2.gz OPDCUGJLTHVOER-KRWDZBQOSA-N 1 0 330.472 4.225 20 30 EIEDRO Cc1cncc(NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)c1 ZINC000329429548 1027775786 /nfs/dbraw/zinc/77/57/86/1027775786.db2.gz HXGJWGPGPPOVMA-INIZCTEOSA-N 1 0 338.455 4.485 20 30 EIEDRO CC(C)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1ccccn1 ZINC000896663965 1027776631 /nfs/dbraw/zinc/77/66/31/1027776631.db2.gz QRMCKVJWAKZNJU-UHFFFAOYSA-N 1 0 336.483 4.090 20 30 EIEDRO Cc1cnccc1CCNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000305352376 1027793237 /nfs/dbraw/zinc/79/32/37/1027793237.db2.gz RFHUCQWOTCGTJW-UHFFFAOYSA-N 1 0 346.434 4.152 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C(F)(F)F)C1 ZINC000474929415 1027797844 /nfs/dbraw/zinc/79/78/44/1027797844.db2.gz JKFYFPXGAAZWOV-BXKDBHETSA-N 1 0 347.178 4.250 20 30 EIEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2coc(C3CCCCC3)n2)C1 ZINC000328762214 1027804046 /nfs/dbraw/zinc/80/40/46/1027804046.db2.gz YYMKTABCGBOMQP-HNNXBMFYSA-N 1 0 333.476 4.147 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc1 ZINC000583024370 1027858764 /nfs/dbraw/zinc/85/87/64/1027858764.db2.gz YNMJYMYCSKUQJC-JOCHJYFZSA-N 1 0 345.490 4.039 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2CCCC(=O)N2)CC1 ZINC000329608017 1027880722 /nfs/dbraw/zinc/88/07/22/1027880722.db2.gz BLPPWLLIQDQEMS-QAPCUYQASA-N 1 0 343.471 4.068 20 30 EIEDRO COc1cccc(C[N@H+](CCCCC(C)(C)C#N)C[C@H]2CCCO2)c1 ZINC000444594019 1027881331 /nfs/dbraw/zinc/88/13/31/1027881331.db2.gz IYDGEGXJUAVCMS-HXUWFJFHSA-N 1 0 344.499 4.396 20 30 EIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000330896620 1027898938 /nfs/dbraw/zinc/89/89/38/1027898938.db2.gz LPRTXHRHOYAWFS-HNNXBMFYSA-N 1 0 347.459 4.108 20 30 EIEDRO CCCC[NH+]1CCC(NC(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000330962291 1027903435 /nfs/dbraw/zinc/90/34/35/1027903435.db2.gz PJCMZQLCNCVKFD-UHFFFAOYSA-N 1 0 344.286 4.145 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000444655557 1027927409 /nfs/dbraw/zinc/92/74/09/1027927409.db2.gz WJQGZZOLCWCMGN-UHFFFAOYSA-N 1 0 339.527 4.481 20 30 EIEDRO C[C@H](NCCC(C#N)(c1ccccc1)c1ccccc1)c1ccon1 ZINC000444670491 1027953120 /nfs/dbraw/zinc/95/31/20/1027953120.db2.gz ITIYSBFNAVUUJV-KRWDZBQOSA-N 1 0 331.419 4.225 20 30 EIEDRO C[C@H]([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCCOC1 ZINC000444671589 1027955052 /nfs/dbraw/zinc/95/50/52/1027955052.db2.gz CQUZRLLMYSGJOO-PMACEKPBSA-N 1 0 348.490 4.291 20 30 EIEDRO CC[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1nccs1 ZINC000329677715 1027970600 /nfs/dbraw/zinc/97/06/00/1027970600.db2.gz PZLHHRZACRDKIK-URZJAHPPSA-N 1 0 333.501 4.109 20 30 EIEDRO C[C@@H]1CC[C@H](C[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)O1 ZINC000475026007 1027997580 /nfs/dbraw/zinc/99/75/80/1027997580.db2.gz KBJRDMIOHVEPCV-IIBYNOLFSA-N 1 0 338.426 4.267 20 30 EIEDRO C=CCCC1(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000475611562 1028006613 /nfs/dbraw/zinc/00/66/13/1028006613.db2.gz ZHCPGAJZQKQIEI-UHFFFAOYSA-N 1 0 340.511 4.103 20 30 EIEDRO C=CC[C@H]1[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CCCC1(C)C ZINC000444776470 1028061316 /nfs/dbraw/zinc/06/13/16/1028061316.db2.gz CFTZVEFLXYGSGD-GOSISDBHSA-N 1 0 334.548 4.338 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)nc1 ZINC000583134331 1028076269 /nfs/dbraw/zinc/07/62/69/1028076269.db2.gz FBQJYHBYHPMEBP-QFIPXVFZSA-N 1 0 327.431 4.417 20 30 EIEDRO CC[C@@H]1C[C@H](C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC(=O)N1 ZINC000329728053 1028082994 /nfs/dbraw/zinc/08/29/94/1028082994.db2.gz FLIVXCVJYTWPSM-KNXWPPODSA-N 1 0 349.519 4.131 20 30 EIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000329871248 1028144541 /nfs/dbraw/zinc/14/45/41/1028144541.db2.gz CGUPYJJEKFSYIU-KBXCAEBGSA-N 1 0 346.519 4.371 20 30 EIEDRO C=CCC(CC=C)C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000128939981 1028163421 /nfs/dbraw/zinc/16/34/21/1028163421.db2.gz ULCSSCFAZZDBLT-UHFFFAOYSA-N 1 0 344.524 4.251 20 30 EIEDRO COc1c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)oc2ccccc21 ZINC000330006274 1028181459 /nfs/dbraw/zinc/18/14/59/1028181459.db2.gz DWYZXNZEBFDHGU-INIZCTEOSA-N 1 0 342.439 4.305 20 30 EIEDRO C=CCOc1cccc(CNCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000523527256 1028195722 /nfs/dbraw/zinc/19/57/22/1028195722.db2.gz AZZONMIUXFZIOC-SFHVURJKSA-N 1 0 338.495 4.470 20 30 EIEDRO Cc1cc(N2CCC[C@H](NC(=O)c3cc4ccccc4o3)C2)cc[nH+]1 ZINC000330082724 1028200185 /nfs/dbraw/zinc/20/01/85/1028200185.db2.gz KMHPDDKLJHVEJF-INIZCTEOSA-N 1 0 335.407 4.110 20 30 EIEDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1ccc(C)c(C#N)c1 ZINC001167657927 1028207347 /nfs/dbraw/zinc/20/73/47/1028207347.db2.gz APNDGAGSSYRAKS-UHFFFAOYSA-N 1 0 341.524 4.272 20 30 EIEDRO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c2n[nH]cc21 ZINC000330148855 1028213598 /nfs/dbraw/zinc/21/35/98/1028213598.db2.gz JSFOZYQUEPQSBT-CQSZACIVSA-N 1 0 326.444 4.114 20 30 EIEDRO CC[C@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000523559136 1028229971 /nfs/dbraw/zinc/22/99/71/1028229971.db2.gz HCMTWCPYQJEMLD-KRWDZBQOSA-N 1 0 347.890 4.241 20 30 EIEDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000523559139 1028230818 /nfs/dbraw/zinc/23/08/18/1028230818.db2.gz HCMTWCPYQJEMLD-QGZVFWFLSA-N 1 0 347.890 4.241 20 30 EIEDRO Cn1c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2nc1C(C)(C)C ZINC000330231618 1028234597 /nfs/dbraw/zinc/23/45/97/1028234597.db2.gz RCNSMTKWUZDZHA-QGZVFWFLSA-N 1 0 340.471 4.086 20 30 EIEDRO N#Cc1ccccc1OCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000523583033 1028243693 /nfs/dbraw/zinc/24/36/93/1028243693.db2.gz QYVNFZVEUVKHJC-QGZVFWFLSA-N 1 0 326.827 4.080 20 30 EIEDRO C=C(Br)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC001167659873 1028259951 /nfs/dbraw/zinc/25/99/51/1028259951.db2.gz WFXYACSQYNHXAU-DLBZAZTESA-N 1 0 338.289 4.263 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000280928386 1028280432 /nfs/dbraw/zinc/28/04/32/1028280432.db2.gz UVCCLSDTWIURTH-BORJPKMPSA-N 1 0 330.497 4.359 20 30 EIEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000330306565 1028362922 /nfs/dbraw/zinc/36/29/22/1028362922.db2.gz ROIYRHZTXQNWIL-LBPRGKRZSA-N 1 0 336.386 4.353 20 30 EIEDRO COc1ccc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)cc1OCCCC#N ZINC000346321775 1028372517 /nfs/dbraw/zinc/37/25/17/1028372517.db2.gz DVPYGSPXUZOGMM-INIZCTEOSA-N 1 0 330.472 4.246 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCC[C@H](c3ncccc3C)C2)CC1 ZINC000281200420 1028434653 /nfs/dbraw/zinc/43/46/53/1028434653.db2.gz KDARVIVCRQJWRB-ICSRJNTNSA-N 1 0 327.516 4.046 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1nccc(C#N)c1Cl)c1ccccc1 ZINC000324181299 1028473010 /nfs/dbraw/zinc/47/30/10/1028473010.db2.gz MRCMCSDLRVWGIT-MRXNPFEDSA-N 1 0 328.847 4.102 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000278194117 1028475829 /nfs/dbraw/zinc/47/58/29/1028475829.db2.gz FRBUQCARZOEIJP-FQEVSTJZSA-N 1 0 334.467 4.184 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000346537318 1028488541 /nfs/dbraw/zinc/48/85/41/1028488541.db2.gz DBSWKZLMTGWLHR-IBGZPJMESA-N 1 0 349.478 4.071 20 30 EIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1ncc(-c2ccccc2)o1 ZINC000281256673 1028491560 /nfs/dbraw/zinc/49/15/60/1028491560.db2.gz HESALYFRTJWISL-MRXNPFEDSA-N 1 0 339.439 4.093 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)nc1)c1ccc(C#N)cc1 ZINC000278215793 1028579017 /nfs/dbraw/zinc/57/90/17/1028579017.db2.gz IHVRSCSYVCZDMT-FQEVSTJZSA-N 1 0 334.467 4.184 20 30 EIEDRO Cc1cc(-c2noc([C@H]3CC[C@H](c4ccccc4)C[NH2+]3)n2)ccc1C#N ZINC001211576511 1028583409 /nfs/dbraw/zinc/58/34/09/1028583409.db2.gz GZJJWGJJCLKRDU-RBUKOAKNSA-N 1 0 344.418 4.125 20 30 EIEDRO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H](CCO)c1ccccc1 ZINC000426449842 1028633865 /nfs/dbraw/zinc/63/38/65/1028633865.db2.gz JMJFUUXGMDQABP-IBGZPJMESA-N 1 0 347.380 4.112 20 30 EIEDRO N#Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1Oc1ccccc1 ZINC000428405165 1028642799 /nfs/dbraw/zinc/64/27/99/1028642799.db2.gz DGQSKQWHFJQSEK-MOPGFXCFSA-N 1 0 333.435 4.389 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccnc(OCC(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000278253699 1028731409 /nfs/dbraw/zinc/73/14/09/1028731409.db2.gz MWKKTQASQCZSFO-MRXNPFEDSA-N 1 0 349.356 4.135 20 30 EIEDRO CCN(CC(=O)c1cc(C)n(CC)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000444059235 1028775376 /nfs/dbraw/zinc/77/53/76/1028775376.db2.gz QAYDLZIQQIASPD-MRXNPFEDSA-N 1 0 337.467 4.262 20 30 EIEDRO COc1ccc(-c2ccncc2)cc1C[NH2+]CC1CCC(C#N)CC1 ZINC000281615670 1028806913 /nfs/dbraw/zinc/80/69/13/1028806913.db2.gz HBSPTKRJYQPHQX-UHFFFAOYSA-N 1 0 335.451 4.177 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)ccc1C#N ZINC000281663146 1028827126 /nfs/dbraw/zinc/82/71/26/1028827126.db2.gz KYSBBVPRRCBUIK-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO Cc1ccccc1C[NH+]1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000052406945 1028844754 /nfs/dbraw/zinc/84/47/54/1028844754.db2.gz LXJMHDPDMRTCHO-UHFFFAOYSA-N 1 0 346.887 4.053 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)ccc1C#N ZINC000281772459 1028864906 /nfs/dbraw/zinc/86/49/06/1028864906.db2.gz SKHQMJMHFOXUKB-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121228972 1028892028 /nfs/dbraw/zinc/89/20/28/1028892028.db2.gz CTCOEWOZCGCTGS-OAHLLOKOSA-N 1 0 343.452 4.159 20 30 EIEDRO CC(C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 ZINC000524424515 1028958807 /nfs/dbraw/zinc/95/88/07/1028958807.db2.gz CWAKHFWKQLXLFB-UHFFFAOYSA-N 1 0 337.423 4.167 20 30 EIEDRO COc1ccc(OC2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000522833357 1028982421 /nfs/dbraw/zinc/98/24/21/1028982421.db2.gz YPKOKMIPWREYSP-INIZCTEOSA-N 1 0 336.435 4.171 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000281975592 1029033244 /nfs/dbraw/zinc/03/32/44/1029033244.db2.gz LOGHJHIOQAOLLI-APWZRJJASA-N 1 0 330.447 4.309 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000446001070 1029067031 /nfs/dbraw/zinc/06/70/31/1029067031.db2.gz GXEWSCMFWXUESM-QRTARXTBSA-N 1 0 327.390 4.258 20 30 EIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)c1C ZINC000444224206 1029089637 /nfs/dbraw/zinc/08/96/37/1029089637.db2.gz JDIDPNYRUIXYDE-NRFANRHFSA-N 1 0 347.462 4.341 20 30 EIEDRO Cc1ccc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000444228974 1029099730 /nfs/dbraw/zinc/09/97/30/1029099730.db2.gz VEPYVDAOXMQJNE-NRFANRHFSA-N 1 0 347.462 4.423 20 30 EIEDRO Cc1ccc([C@H](CNc2cc(Cl)ccc2C#N)[NH+]2CCCC2)o1 ZINC000522935065 1029108511 /nfs/dbraw/zinc/10/85/11/1029108511.db2.gz YGPWBHOSMPAKBY-KRWDZBQOSA-N 1 0 329.831 4.362 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1)C(C)C ZINC000246925626 1029205361 /nfs/dbraw/zinc/20/53/61/1029205361.db2.gz ICAYQJYDZIFUID-DYESRHJHSA-N 1 0 341.499 4.119 20 30 EIEDRO CC[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000101544935 1029210567 /nfs/dbraw/zinc/21/05/67/1029210567.db2.gz DDDHLVUHBXBAMS-QGZVFWFLSA-N 1 0 330.435 4.327 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000583826864 1029243802 /nfs/dbraw/zinc/24/38/02/1029243802.db2.gz DQHPRWNYZGNYNW-AYOQOUSVSA-N 1 0 332.463 4.212 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000583826867 1029244296 /nfs/dbraw/zinc/24/42/96/1029244296.db2.gz DQHPRWNYZGNYNW-ZYSHUDEJSA-N 1 0 332.463 4.212 20 30 EIEDRO Cc1cccc(OC[C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)c1 ZINC000237419931 1029257289 /nfs/dbraw/zinc/25/72/89/1029257289.db2.gz NXVLPQUEUYRAFJ-GOSISDBHSA-N 1 0 338.451 4.235 20 30 EIEDRO CC(C)(CO)[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1 ZINC000583841411 1029264336 /nfs/dbraw/zinc/26/43/36/1029264336.db2.gz SYAJZFBORJMJMR-LJQANCHMSA-N 1 0 327.855 4.041 20 30 EIEDRO C=CCCCN(C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000523012704 1029455347 /nfs/dbraw/zinc/45/53/47/1029455347.db2.gz OTUBLAWLWDOARJ-SFHVURJKSA-N 1 0 349.906 4.085 20 30 EIEDRO N#CCCC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000525123538 1029464764 /nfs/dbraw/zinc/46/47/64/1029464764.db2.gz GIBIKRGTGRLQLS-UHFFFAOYSA-N 1 0 327.255 4.388 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccsc1Cl)C(C)C ZINC000446586088 1029481815 /nfs/dbraw/zinc/48/18/15/1029481815.db2.gz MFNKXOPIOXATCQ-AWEZNQCLSA-N 1 0 341.908 4.222 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(OCc2ccc(F)cc2)CC1 ZINC000186316668 1029546007 /nfs/dbraw/zinc/54/60/07/1029546007.db2.gz USSUVFHQOSTYHZ-UHFFFAOYSA-N 1 0 338.426 4.187 20 30 EIEDRO CC(C)CC(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278609474 1029594484 /nfs/dbraw/zinc/59/44/84/1029594484.db2.gz IQXKAXCJALZOSU-UHFFFAOYSA-N 1 0 339.487 4.021 20 30 EIEDRO CC1CCN([C@H](C[NH2+]CC(C)(C)CCC#N)c2ccccc2)CC1 ZINC000343631892 1029620141 /nfs/dbraw/zinc/62/01/41/1029620141.db2.gz BQTRGOOZZKNVMC-HXUWFJFHSA-N 1 0 327.516 4.379 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cccc(OC(F)F)c1 ZINC000192975036 1029654452 /nfs/dbraw/zinc/65/44/52/1029654452.db2.gz LBCGNSKMSALALQ-CYBMUJFWSA-N 1 0 332.350 4.041 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000657832034 1029656007 /nfs/dbraw/zinc/65/60/07/1029656007.db2.gz GCBYLQZBNKWZJZ-PXNSSMCTSA-N 1 0 326.484 4.034 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000657836669 1029682464 /nfs/dbraw/zinc/68/24/64/1029682464.db2.gz VCLQINALRCEIMA-OXJNMPFZSA-N 1 0 344.474 4.155 20 30 EIEDRO C=CCC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000343698424 1029688824 /nfs/dbraw/zinc/68/88/24/1029688824.db2.gz ABGBYNACOUQGLH-HXUWFJFHSA-N 1 0 338.451 4.321 20 30 EIEDRO CC(C)(C)CCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278710769 1029720312 /nfs/dbraw/zinc/72/03/12/1029720312.db2.gz RTERDOQMDNTBDM-UHFFFAOYSA-N 1 0 339.487 4.165 20 30 EIEDRO C=C(C)[C@H](NCc1cc(C)c(C(=O)OC)o1)c1ccc(F)c(F)c1 ZINC000187786836 1029790616 /nfs/dbraw/zinc/79/06/16/1029790616.db2.gz JBWGIJZXXYSKOJ-INIZCTEOSA-N 1 0 335.350 4.060 20 30 EIEDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)CC3 ZINC000611863518 1029873045 /nfs/dbraw/zinc/87/30/45/1029873045.db2.gz AUBQSDUUSHSMNY-PBHICJAKSA-N 1 0 345.446 4.256 20 30 EIEDRO C[C@H]([NH2+][C@H](c1ccccc1)c1ccncc1)c1ccc(OCC#N)cc1 ZINC000181586665 1029903402 /nfs/dbraw/zinc/90/34/02/1029903402.db2.gz WCIPAUMIDBLGFU-HTAPYJJXSA-N 1 0 343.430 4.424 20 30 EIEDRO C[C@@H](O)C[N@H+](Cc1cccc(C#N)c1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441230673 1029931800 /nfs/dbraw/zinc/93/18/00/1029931800.db2.gz JRVDZGUPYYKGOX-JKSUJKDBSA-N 1 0 342.870 4.026 20 30 EIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1 ZINC000183687483 1030017918 /nfs/dbraw/zinc/01/79/18/1030017918.db2.gz SMQTVZNHNFNVIS-INIZCTEOSA-N 1 0 333.410 4.022 20 30 EIEDRO CC(C)c1ccc(OC2CC[NH+](CCCSCC#N)CC2)cc1 ZINC000525820998 1030043016 /nfs/dbraw/zinc/04/30/16/1030043016.db2.gz IEZFXMALWPCPGX-UHFFFAOYSA-N 1 0 332.513 4.300 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000089103752 1030106655 /nfs/dbraw/zinc/10/66/55/1030106655.db2.gz NNRKFAWFSHHNEK-AWEZNQCLSA-N 1 0 340.398 4.067 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447521071 1030118450 /nfs/dbraw/zinc/11/84/50/1030118450.db2.gz VNGCIVCIUYJWEF-FGZHOGPDSA-N 1 0 333.479 4.436 20 30 EIEDRO CC[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)c1ccc(C#N)cc1 ZINC000447526139 1030122167 /nfs/dbraw/zinc/12/21/67/1030122167.db2.gz ASHFKYIPXXWSDO-NRFANRHFSA-N 1 0 330.435 4.027 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000450960607 1030136834 /nfs/dbraw/zinc/13/68/34/1030136834.db2.gz SAEVGBHMLINLBJ-VWPQPMDRSA-N 1 0 340.511 4.393 20 30 EIEDRO C=C(C)C[N@@H+](CCCc1cc(CC)no1)Cc1cnn(C(C)C)c1 ZINC000450982707 1030162461 /nfs/dbraw/zinc/16/24/61/1030162461.db2.gz MVHMRZWTXHTNKZ-UHFFFAOYSA-N 1 0 330.476 4.025 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccc(C#N)cc1 ZINC000447564201 1030174477 /nfs/dbraw/zinc/17/44/77/1030174477.db2.gz VURFAJMHXFJVBB-HNAYVOBHSA-N 1 0 339.508 4.107 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)N(c1cccc(SC)c1)C1CC[NH+](C)CC1 ZINC000185774479 1030222153 /nfs/dbraw/zinc/22/21/53/1030222153.db2.gz OLMGSJNOBQSVRS-MRXNPFEDSA-N 1 0 346.540 4.438 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000526061984 1030254644 /nfs/dbraw/zinc/25/46/44/1030254644.db2.gz NJJZOJBCJLVPQU-UHFFFAOYSA-N 1 0 341.842 4.306 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@@H]([NH+]4CCCCC4)C3)c2c1 ZINC000447675630 1030267068 /nfs/dbraw/zinc/26/70/68/1030267068.db2.gz NQLCVTZPJYXCHG-LJQANCHMSA-N 1 0 348.494 4.294 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1ncc(Br)cc1Br ZINC000393756433 1030293024 /nfs/dbraw/zinc/29/30/24/1030293024.db2.gz XDQBCFQKMUGXEX-JTQLQIEISA-N 1 0 348.082 4.051 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21)c1ccc(C#N)cc1 ZINC000530321396 1030312543 /nfs/dbraw/zinc/31/25/43/1030312543.db2.gz NKNZIOOBQBNYIJ-IERDGZPVSA-N 1 0 342.446 4.472 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000526942315 1030357991 /nfs/dbraw/zinc/35/79/91/1030357991.db2.gz JCSVHEBTFJEMMI-NVXWUHKLSA-N 1 0 328.456 4.063 20 30 EIEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000451331212 1030408366 /nfs/dbraw/zinc/40/83/66/1030408366.db2.gz NMIGTJXJYWFAGJ-LJQANCHMSA-N 1 0 342.870 4.307 20 30 EIEDRO C[N@H+](CCC(C)(C)C#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000527077788 1030468914 /nfs/dbraw/zinc/46/89/14/1030468914.db2.gz GEZOQXYHMBGYRP-CQSZACIVSA-N 1 0 337.261 4.144 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccccc1F ZINC000527100179 1030479483 /nfs/dbraw/zinc/47/94/83/1030479483.db2.gz UPLAARCQFUZRKA-ODIFPOPNSA-N 1 0 339.414 4.133 20 30 EIEDRO Cc1nc([C@H]2CCCN2Cc2cccc(OCCCC#N)c2)cs1 ZINC000189937157 1030521275 /nfs/dbraw/zinc/52/12/75/1030521275.db2.gz ADFDRGNWADSTPW-LJQANCHMSA-N 1 0 341.480 4.471 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553246 1030571731 /nfs/dbraw/zinc/57/17/31/1030571731.db2.gz XWMWFRWVZKVICZ-QGZVFWFLSA-N 1 0 329.444 4.494 20 30 EIEDRO COc1cc(C[N@H+](C)CCCC(C)(C)C#N)ccc1OC(F)F ZINC000530626533 1030596966 /nfs/dbraw/zinc/59/69/66/1030596966.db2.gz XABLALRJYREZHG-UHFFFAOYSA-N 1 0 326.387 4.058 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cc(C)oc2C)cc1OCCCC#N ZINC000064614560 1030717624 /nfs/dbraw/zinc/71/76/24/1030717624.db2.gz GIMIPEMYEAHNAB-HNNXBMFYSA-N 1 0 342.439 4.438 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000527489768 1030724999 /nfs/dbraw/zinc/72/49/99/1030724999.db2.gz WHDPHHHCZQRIMU-MJGOQNOKSA-N 1 0 334.891 4.195 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC2(c3cc(F)cc(C(F)(F)F)c3)CC2)o1 ZINC000191100487 1030730095 /nfs/dbraw/zinc/73/00/95/1030730095.db2.gz JNMLPHJJIWKNKR-UHFFFAOYSA-N 1 0 338.304 4.131 20 30 EIEDRO N#CCCCOc1cccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000122265351 1030749106 /nfs/dbraw/zinc/74/91/06/1030749106.db2.gz YGWXWJOOLHPWSE-UHFFFAOYSA-N 1 0 348.446 4.364 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719657 1030755957 /nfs/dbraw/zinc/75/59/57/1030755957.db2.gz ICIYTZZVTHWMDJ-FUHIMQAGSA-N 1 0 345.918 4.491 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(OCc2cccnc2)cc1 ZINC000530879521 1030781374 /nfs/dbraw/zinc/78/13/74/1030781374.db2.gz XJBZDABXJYKSGA-HNNXBMFYSA-N 1 0 349.459 4.445 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000658039515 1030794819 /nfs/dbraw/zinc/79/48/19/1030794819.db2.gz ZXYGSVDPEPKAIN-XIRDDKMYSA-N 1 0 327.390 4.207 20 30 EIEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H](C)Cc1ccc(Cl)cc1)C2 ZINC001168180315 1030808438 /nfs/dbraw/zinc/80/84/38/1030808438.db2.gz QIZUTNMVSBHBHY-VDGAXYAQSA-N 1 0 349.902 4.097 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000610451563 1030814649 /nfs/dbraw/zinc/81/46/49/1030814649.db2.gz UOURPGWVSKMFKN-RTBURBONSA-N 1 0 333.479 4.216 20 30 EIEDRO CCS[C@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000176983700 1030829386 /nfs/dbraw/zinc/82/93/86/1030829386.db2.gz IYEDGXMAIMWOAS-HKUYNNGSSA-N 1 0 331.529 4.190 20 30 EIEDRO N#Cc1nc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)ccc1Cl ZINC000610515859 1030832563 /nfs/dbraw/zinc/83/25/63/1030832563.db2.gz BFIODPTZLFDURT-SFHVURJKSA-N 1 0 340.858 4.246 20 30 EIEDRO CCC(F)(F)C(C)(C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000527788016 1030847527 /nfs/dbraw/zinc/84/75/27/1030847527.db2.gz IKWJUNYHYGGODC-UHFFFAOYSA-N 1 0 349.469 4.184 20 30 EIEDRO COc1ccc(C[NH2+]CC[C@H]2CC=CCC2)cc1OCCCC#N ZINC000527791358 1030848815 /nfs/dbraw/zinc/84/88/15/1030848815.db2.gz VBESVURWPQKLSM-KRWDZBQOSA-N 1 0 328.456 4.214 20 30 EIEDRO N#CCc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000612094062 1030852673 /nfs/dbraw/zinc/85/26/73/1030852673.db2.gz XLEGSTUXUGEZHZ-SFHVURJKSA-N 1 0 331.419 4.273 20 30 EIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc(C#N)ccc1F ZINC000103474952 1030899452 /nfs/dbraw/zinc/89/94/52/1030899452.db2.gz IXJXFGGDHKMTTD-UHFFFAOYSA-N 1 0 348.425 4.152 20 30 EIEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1)c1ccccc1Br ZINC000179329608 1030913674 /nfs/dbraw/zinc/91/36/74/1030913674.db2.gz UATFEWJUAZWKFS-UHFFFAOYSA-N 1 0 329.241 4.346 20 30 EIEDRO CC(C)(C[NH2+]Cc1cccc(OCCCC#N)c1)[C@@H]1CCCCO1 ZINC000610717423 1030926477 /nfs/dbraw/zinc/92/64/77/1030926477.db2.gz KXDPMKQUCJCTHM-IBGZPJMESA-N 1 0 330.472 4.054 20 30 EIEDRO Cn1cc2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cc2n1 ZINC000527960915 1031000713 /nfs/dbraw/zinc/00/07/13/1031000713.db2.gz GENFLZLTPCMAFD-UHFFFAOYSA-N 1 0 344.462 4.067 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cnn(Cc2ccccc2)c1 ZINC000610830101 1031031196 /nfs/dbraw/zinc/03/11/96/1031031196.db2.gz DKSYKYNSJNXASQ-DLBZAZTESA-N 1 0 330.435 4.215 20 30 EIEDRO CCC(C#N)(CC)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000527984819 1031040148 /nfs/dbraw/zinc/04/01/48/1031040148.db2.gz XFASECGQCSICGR-QGZVFWFLSA-N 1 0 341.499 4.007 20 30 EIEDRO CCC(C#N)(CC)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000528021209 1031065709 /nfs/dbraw/zinc/06/57/09/1031065709.db2.gz AZFJQIVFQHZPRV-INIZCTEOSA-N 1 0 327.472 4.329 20 30 EIEDRO N#CCCCC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102401858 1031258504 /nfs/dbraw/zinc/25/85/04/1031258504.db2.gz NUALYFRSZFHLMT-HNNXBMFYSA-N 1 0 344.846 4.263 20 30 EIEDRO CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C3CCC(C)CC3)cc(C#N)c21 ZINC001168203382 1031271756 /nfs/dbraw/zinc/27/17/56/1031271756.db2.gz NDJDINPGUGRZNE-RDYUPDBUSA-N 1 0 337.467 4.272 20 30 EIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000532566972 1031300017 /nfs/dbraw/zinc/30/00/17/1031300017.db2.gz FOXJZKZNPWUWPT-CTNGQTDRSA-N 1 0 338.426 4.263 20 30 EIEDRO C=CCCCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532572471 1031304246 /nfs/dbraw/zinc/30/42/46/1031304246.db2.gz JGEKKNYMJJPYKB-UHFFFAOYSA-N 1 0 345.512 4.115 20 30 EIEDRO C=CCCC[N@@H+](C)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000532580180 1031315001 /nfs/dbraw/zinc/31/50/01/1031315001.db2.gz GRHNLKBSQPZXID-HXUWFJFHSA-N 1 0 338.451 4.273 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2cc(Br)c(Cl)s2)c1 ZINC000191693568 1031367260 /nfs/dbraw/zinc/36/72/60/1031367260.db2.gz YEFPMYIJYGUJJC-UHFFFAOYSA-N 1 0 341.661 4.325 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccnc1C(F)(F)F ZINC000528354246 1031427025 /nfs/dbraw/zinc/42/70/25/1031427025.db2.gz XTOSHQTZGRDLKP-UHFFFAOYSA-N 1 0 333.357 4.384 20 30 EIEDRO CN1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000449202441 1031546947 /nfs/dbraw/zinc/54/69/47/1031546947.db2.gz FJFPMFDSEKYFDE-UGAWAQNWSA-N 1 0 349.881 4.286 20 30 EIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000548932769 1031553509 /nfs/dbraw/zinc/55/35/09/1031553509.db2.gz GHWWMSKPCNCVSJ-QZTJIDSGSA-N 1 0 349.478 4.035 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CSc3ccccc32)cc(OC)c1O ZINC000449364669 1031657438 /nfs/dbraw/zinc/65/74/38/1031657438.db2.gz OBGYISSVCGGPAW-MRXNPFEDSA-N 1 0 341.476 4.108 20 30 EIEDRO COc1ccc2c(c1)[C@@H]([N@H+](CCCC#N)Cc1ccccc1)CCO2 ZINC000127641764 1031701540 /nfs/dbraw/zinc/70/15/40/1031701540.db2.gz SXVUHXGOBYOIQY-FQEVSTJZSA-N 1 0 336.435 4.325 20 30 EIEDRO C[N@H+](CC(C)(C)CCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119076226 1031739452 /nfs/dbraw/zinc/73/94/52/1031739452.db2.gz BRMMMZCRZVFCNB-HOTGVXAUSA-N 1 0 341.282 4.213 20 30 EIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447476 1031740757 /nfs/dbraw/zinc/74/07/57/1031740757.db2.gz YYVYEPORLSHFTK-DZKIICNBSA-N 1 0 333.863 4.038 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000449447231 1031741775 /nfs/dbraw/zinc/74/17/75/1031741775.db2.gz XIHAPDLGPACGAR-GJYPPUQNSA-N 1 0 327.472 4.199 20 30 EIEDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)CO2 ZINC000453232131 1031750153 /nfs/dbraw/zinc/75/01/53/1031750153.db2.gz GYWCOFUTVYTIBR-AZUAARDMSA-N 1 0 336.435 4.023 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)cc(OC)c1O ZINC000449456198 1031752930 /nfs/dbraw/zinc/75/29/30/1031752930.db2.gz CHPNDTXHIUBQCA-WFASDCNBSA-N 1 0 343.389 4.292 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000453289153 1031809216 /nfs/dbraw/zinc/80/92/16/1031809216.db2.gz IEJQUNLAFFBKRZ-CBVHJVASSA-N 1 0 332.875 4.102 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c(-c2ccccc2)n1 ZINC000449532832 1031828256 /nfs/dbraw/zinc/82/82/56/1031828256.db2.gz DRISPLFWXWTGFP-RBBKRZOGSA-N 1 0 346.478 4.084 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(-c2ccccc2)n1 ZINC000449532825 1031828426 /nfs/dbraw/zinc/82/84/26/1031828426.db2.gz DRISPLFWXWTGFP-IFMALSPDSA-N 1 0 346.478 4.084 20 30 EIEDRO COC[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000453311351 1031834410 /nfs/dbraw/zinc/83/44/10/1031834410.db2.gz CCCQYRLBVJBYEE-KBXCAEBGSA-N 1 0 328.843 4.292 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000453338732 1031863210 /nfs/dbraw/zinc/86/32/10/1031863210.db2.gz CPHUEPHEXJYCBR-VQIMIIECSA-N 1 0 325.452 4.340 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCO[C@@H](c2cccs2)C1 ZINC000449619429 1031881807 /nfs/dbraw/zinc/88/18/07/1031881807.db2.gz CIWZEKPWXJFXGQ-FUHWJXTLSA-N 1 0 329.465 4.323 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000453355365 1031883646 /nfs/dbraw/zinc/88/36/46/1031883646.db2.gz LIGYREWAZRDARZ-ILXRZTDVSA-N 1 0 331.403 4.043 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCO[C@H](c3cccs3)C2)c1 ZINC000449624635 1031886467 /nfs/dbraw/zinc/88/64/67/1031886467.db2.gz NOYRPCBVFAHGQQ-WMZOPIPTSA-N 1 0 329.465 4.323 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@H]2CCCO2)c2ccc(F)cc2)cc1F ZINC000453359568 1031889505 /nfs/dbraw/zinc/88/95/05/1031889505.db2.gz ALZHAANGEMKLBY-QUCCMNQESA-N 1 0 342.389 4.236 20 30 EIEDRO N#Cc1cccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000531988646 1031897413 /nfs/dbraw/zinc/89/74/13/1031897413.db2.gz XBPNYLHOHRMCCE-GOTSBHOMSA-N 1 0 345.490 4.045 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)cc1F ZINC000453363738 1031902291 /nfs/dbraw/zinc/90/22/91/1031902291.db2.gz BXJDONYDUCXAEE-QGZVFWFLSA-N 1 0 330.790 4.354 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2cccs2)C1)c1ccc(C#N)c(F)c1 ZINC000453375573 1031922591 /nfs/dbraw/zinc/92/25/91/1031922591.db2.gz JIJBXZYZBZSIQX-XGWLTEMNSA-N 1 0 330.428 4.330 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1)c1ccco1 ZINC000453391025 1031956688 /nfs/dbraw/zinc/95/66/88/1031956688.db2.gz XVQJGAYKBOSZOP-QFHJOOASSA-N 1 0 343.471 4.270 20 30 EIEDRO COCC1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCC1 ZINC000449739650 1031975342 /nfs/dbraw/zinc/97/53/42/1031975342.db2.gz BMHVQSGKIKUKAT-UHFFFAOYSA-N 1 0 326.484 4.187 20 30 EIEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000053279351 1032022559 /nfs/dbraw/zinc/02/25/59/1032022559.db2.gz FXCBXMVALCTSRX-QGZVFWFLSA-N 1 0 339.464 4.094 20 30 EIEDRO CCCN(C)[C@@H](C[NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000512574431 1033405122 /nfs/dbraw/zinc/40/51/22/1033405122.db2.gz RGQMCUHKAZPRBD-SFHVURJKSA-N 1 0 347.915 4.446 20 30 EIEDRO C=CCC(C)(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000429840647 1033406476 /nfs/dbraw/zinc/40/64/76/1033406476.db2.gz VUGMYEMFCCAWCJ-KRWDZBQOSA-N 1 0 328.500 4.137 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)Cc2ccccc2SC)ccc1C#N ZINC000573648821 1033419947 /nfs/dbraw/zinc/41/99/47/1033419947.db2.gz WEIFOODSOLQYBA-CQSZACIVSA-N 1 0 326.465 4.010 20 30 EIEDRO C=CCCC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000889166460 1033466319 /nfs/dbraw/zinc/46/63/19/1033466319.db2.gz VKHLENSDSUYAMN-SXLOBPIMSA-N 1 0 328.500 4.068 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000512622726 1033515351 /nfs/dbraw/zinc/51/53/51/1033515351.db2.gz BXNXYMOGNCVRKK-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000614160593 1033533614 /nfs/dbraw/zinc/53/36/14/1033533614.db2.gz JTWSKHHEEMUAQC-UHFFFAOYSA-N 1 0 333.479 4.200 20 30 EIEDRO N#Cc1cc(Cl)ccc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000614165799 1033538767 /nfs/dbraw/zinc/53/87/67/1033538767.db2.gz QCFZPCRNYVRREF-IBGZPJMESA-N 1 0 326.827 4.175 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(C#N)cc1F ZINC000512626603 1033540138 /nfs/dbraw/zinc/54/01/38/1033540138.db2.gz VNJMOUMKGBUHBV-GOEBONIOSA-N 1 0 341.405 4.014 20 30 EIEDRO C[C@H](NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512629912 1033548876 /nfs/dbraw/zinc/54/88/76/1033548876.db2.gz KNPSZGUTBNSUOP-HOTGVXAUSA-N 1 0 339.458 4.477 20 30 EIEDRO CC(C)(C#N)c1ccc(CN2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000614166845 1033549370 /nfs/dbraw/zinc/54/93/70/1033549370.db2.gz SJJBWGJQGDWXOU-FQEVSTJZSA-N 1 0 338.426 4.200 20 30 EIEDRO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614166509 1033550342 /nfs/dbraw/zinc/55/03/42/1033550342.db2.gz MYVGOCJNJGDGHI-UHFFFAOYSA-N 1 0 342.483 4.041 20 30 EIEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169715 1033559451 /nfs/dbraw/zinc/55/94/51/1033559451.db2.gz LYLGKNNHFQKBPA-JOCHJYFZSA-N 1 0 347.506 4.194 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512634196 1033569576 /nfs/dbraw/zinc/56/95/76/1033569576.db2.gz BTEFTEPDFXGKTF-JMERFSKESA-N 1 0 330.378 4.263 20 30 EIEDRO CC(C)(C#N)c1ccc(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000614179145 1033589402 /nfs/dbraw/zinc/58/94/02/1033589402.db2.gz FQCXVXMOYKOWMH-QFIPXVFZSA-N 1 0 347.506 4.414 20 30 EIEDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512641068 1033594400 /nfs/dbraw/zinc/59/44/00/1033594400.db2.gz CWKOTIVYXIZTHJ-CQSZACIVSA-N 1 0 342.414 4.346 20 30 EIEDRO C[C@@H]([NH2+]CCCCN(C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512649564 1033605789 /nfs/dbraw/zinc/60/57/89/1033605789.db2.gz SNWNTZOOYGREFO-MRXNPFEDSA-N 1 0 325.431 4.265 20 30 EIEDRO N#CCCC[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000433011546 1033636577 /nfs/dbraw/zinc/63/65/77/1033636577.db2.gz GLFJOPCQBQPOIZ-HXUWFJFHSA-N 1 0 339.483 4.018 20 30 EIEDRO C[C@H]([NH2+]CCc1c[nH]c2cc(F)ccc12)c1ccc(C#N)cc1F ZINC000512668188 1033667932 /nfs/dbraw/zinc/66/79/32/1033667932.db2.gz TVDJUFYWZXDVMY-LBPRGKRZSA-N 1 0 325.362 4.211 20 30 EIEDRO C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(C#N)cc1F ZINC000512668312 1033668159 /nfs/dbraw/zinc/66/81/59/1033668159.db2.gz UMZHXTFGBSMWKK-INIZCTEOSA-N 1 0 338.426 4.096 20 30 EIEDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433019972 1033669402 /nfs/dbraw/zinc/66/94/02/1033669402.db2.gz LXKQVTZNQDEGKZ-OAQYLSRUSA-N 1 0 349.478 4.060 20 30 EIEDRO CC(C)C1CCC([N@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000433169506 1033982821 /nfs/dbraw/zinc/98/28/21/1033982821.db2.gz ROLOVMNZLLMOEA-UHFFFAOYSA-N 1 0 327.472 4.033 20 30 EIEDRO N#CC1(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CCCCC1 ZINC000411716922 1034049054 /nfs/dbraw/zinc/04/90/54/1034049054.db2.gz HPRDXJXEAOIWQW-NJYVYQBISA-N 1 0 338.495 4.355 20 30 EIEDRO OCC1([C@H]([NH2+]CC#Cc2cccc(Cl)c2)c2ccccc2)CCC1 ZINC000433296507 1034201463 /nfs/dbraw/zinc/20/14/63/1034201463.db2.gz SQKIGCNAIYULQD-HXUWFJFHSA-N 1 0 339.866 4.185 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000614405680 1034553026 /nfs/dbraw/zinc/55/30/26/1034553026.db2.gz BNZBHOPVBZXSFE-LEWJYISDSA-N 1 0 338.426 4.358 20 30 EIEDRO C(=[NH+]NCCCOc1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000729147905 1034728320 /nfs/dbraw/zinc/72/83/20/1034728320.db2.gz OBXHJJKKSHRVST-UHFFFAOYSA-N 1 0 337.467 4.070 20 30 EIEDRO CC(C)(C#N)CCCOc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000433615162 1034840590 /nfs/dbraw/zinc/84/05/90/1034840590.db2.gz GCIDQMUWOYFOGS-UHFFFAOYSA-N 1 0 330.472 4.260 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)ccc1OC ZINC000430001269 1034848370 /nfs/dbraw/zinc/84/83/70/1034848370.db2.gz CPGYBOYMPHUUQV-OAHLLOKOSA-N 1 0 325.399 4.175 20 30 EIEDRO COc1ccc(C#N)cc1NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000513352183 1034888254 /nfs/dbraw/zinc/88/82/54/1034888254.db2.gz ORVAHOOKFFQERI-QAPCUYQASA-N 1 0 327.472 4.022 20 30 EIEDRO C=C1CC[NH+](Cc2ccc(OCc3cccs3)c(OC)c2)CC1 ZINC000513450561 1034962798 /nfs/dbraw/zinc/96/27/98/1034962798.db2.gz KYALPBGGTFKPQS-UHFFFAOYSA-N 1 0 329.465 4.488 20 30 EIEDRO COCC1(C#N)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000513636920 1035072819 /nfs/dbraw/zinc/07/28/19/1035072819.db2.gz CWTXXDUIINVNFK-UHFFFAOYSA-N 1 0 334.463 4.071 20 30 EIEDRO Cc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)c(C[NH+](C)C)c1 ZINC000280118431 1035157594 /nfs/dbraw/zinc/15/75/94/1035157594.db2.gz LRTHGLBDWULGCA-UHFFFAOYSA-N 1 0 335.451 4.110 20 30 EIEDRO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1OC ZINC000628326880 1035309429 /nfs/dbraw/zinc/30/94/29/1035309429.db2.gz YYKUNMOCWKNDPS-INIZCTEOSA-N 1 0 343.801 4.145 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501142204 1035386136 /nfs/dbraw/zinc/38/61/36/1035386136.db2.gz PJWSJNKBOWBDSW-UHFFFAOYSA-N 1 0 336.435 4.146 20 30 EIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000501260888 1035407926 /nfs/dbraw/zinc/40/79/26/1035407926.db2.gz YGQVBVGNSXPZIA-UHFFFAOYSA-N 1 0 345.446 4.428 20 30 EIEDRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CC1(C#N)CC1 ZINC000501552617 1035465632 /nfs/dbraw/zinc/46/56/32/1035465632.db2.gz WMBOGHPJPZBSQB-UHFFFAOYSA-N 1 0 341.430 4.429 20 30 EIEDRO C/C(=C/c1ccccc1)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594984018 1035515889 /nfs/dbraw/zinc/51/58/89/1035515889.db2.gz LDPOTLRDLBYPQU-JXAWBTAJSA-N 1 0 332.447 4.257 20 30 EIEDRO Cc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c(Cl)c1 ZINC000594980234 1035516441 /nfs/dbraw/zinc/51/64/41/1035516441.db2.gz MUQASQUAFBFVSK-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3ccc(Cl)cc3)CCOCC2)c1 ZINC000594985094 1035519642 /nfs/dbraw/zinc/51/96/42/1035519642.db2.gz WEJCULROYDSVFI-UHFFFAOYSA-N 1 0 326.827 4.007 20 30 EIEDRO CC(C)[C@H](O)[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000594988711 1035520134 /nfs/dbraw/zinc/52/01/34/1035520134.db2.gz BVZORDGWFHMMDN-SFTDATJTSA-N 1 0 336.479 4.336 20 30 EIEDRO CC(C)[C@H](O)[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC000594990404 1035521655 /nfs/dbraw/zinc/52/16/55/1035521655.db2.gz PYTJPXZBCNYBJX-SFTDATJTSA-N 1 0 334.463 4.090 20 30 EIEDRO N#CC1(CNCc2cccc(OCC(F)(F)F)c2)CCCCC1 ZINC000594994860 1035525967 /nfs/dbraw/zinc/52/59/67/1035525967.db2.gz NVZDIPHIPASOPD-UHFFFAOYSA-N 1 0 326.362 4.191 20 30 EIEDRO CC(C)(C)C(F)(F)CNCc1cn(CCC#N)nc1-c1ccccc1 ZINC000594999793 1035526947 /nfs/dbraw/zinc/52/69/47/1035526947.db2.gz FBDVRHWGZSPASO-UHFFFAOYSA-N 1 0 346.425 4.235 20 30 EIEDRO N#Cc1ccc(CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1 ZINC000595055639 1035535355 /nfs/dbraw/zinc/53/53/55/1035535355.db2.gz HLURSOHUSFYRQB-KRWDZBQOSA-N 1 0 345.368 4.182 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2Cl)C1)c1cccc(C#N)c1 ZINC000595058528 1035535866 /nfs/dbraw/zinc/53/58/66/1035535866.db2.gz CLIVUTMDWPZLST-DOTOQJQBSA-N 1 0 339.870 4.389 20 30 EIEDRO Cc1ccc(F)cc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000490593697 1035544640 /nfs/dbraw/zinc/54/46/40/1035544640.db2.gz WUYLJJINGVLJBH-UHFFFAOYSA-N 1 0 329.259 4.451 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1cncc(Br)c1)c1cccc(C#N)c1 ZINC000595025727 1035554090 /nfs/dbraw/zinc/55/40/90/1035554090.db2.gz LYKBCBOVXGDTAI-VXGBXAGGSA-N 1 0 330.229 4.128 20 30 EIEDRO C[C@H](COc1c(F)cccc1F)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000595073373 1035556539 /nfs/dbraw/zinc/55/65/39/1035556539.db2.gz WOFMKERYWDMZSA-VXGBXAGGSA-N 1 0 334.341 4.094 20 30 EIEDRO COc1ccccc1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000111408724 1035575772 /nfs/dbraw/zinc/57/57/72/1035575772.db2.gz GQYOHXUKAXSMJQ-UHFFFAOYSA-N 1 0 336.435 4.047 20 30 EIEDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cn1 ZINC000595086322 1035594041 /nfs/dbraw/zinc/59/40/41/1035594041.db2.gz MOFOWDFALXMYTN-KSEOMHKRSA-N 1 0 348.494 4.060 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccc(Br)cc3)CC2)C1 ZINC000595076093 1035595046 /nfs/dbraw/zinc/59/50/46/1035595046.db2.gz DPUHUJBHLXYLBA-GOEBONIOSA-N 1 0 333.273 4.054 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595428823 1035677442 /nfs/dbraw/zinc/67/74/42/1035677442.db2.gz NYADGEGVFZJOAL-IFXJQAMLSA-N 1 0 328.843 4.120 20 30 EIEDRO CC(C)(C)c1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000595471674 1035686423 /nfs/dbraw/zinc/68/64/23/1035686423.db2.gz CSNGBBGUKMGZSC-UHFFFAOYSA-N 1 0 333.479 4.436 20 30 EIEDRO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1cccs1 ZINC000593023351 1035690225 /nfs/dbraw/zinc/69/02/25/1035690225.db2.gz QTDAUKAYWXQVFM-OAHLLOKOSA-N 1 0 329.425 4.405 20 30 EIEDRO N#C[C@@H](c1ccc(Cl)cc1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509445 1035693771 /nfs/dbraw/zinc/69/37/71/1035693771.db2.gz UMEDXQYFAAPTFL-FQEVSTJZSA-N 1 0 339.870 4.159 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CC)c(Cl)c2)CC1 ZINC000490869155 1035701886 /nfs/dbraw/zinc/70/18/86/1035701886.db2.gz JMTWRXKFGXNLKQ-UHFFFAOYSA-N 1 0 335.879 4.064 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000595620769 1035738394 /nfs/dbraw/zinc/73/83/94/1035738394.db2.gz QGFHEKCJZVZSRE-OAHLLOKOSA-N 1 0 340.858 4.231 20 30 EIEDRO CC(C)([NH2+]CCC(=O)Nc1ccccc1Cl)c1cccc(C#N)c1 ZINC000595636658 1035741126 /nfs/dbraw/zinc/74/11/26/1035741126.db2.gz UNAZZQJZVBKOTI-UHFFFAOYSA-N 1 0 341.842 4.065 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[NH2+][C@@H]3CCCC34CCCCC4)o2)c1 ZINC000595606228 1035746300 /nfs/dbraw/zinc/74/63/00/1035746300.db2.gz VLJSYGFCEMMBJR-QGZVFWFLSA-N 1 0 336.439 4.201 20 30 EIEDRO CCCCCCCC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000913475435 1035746473 /nfs/dbraw/zinc/74/64/73/1035746473.db2.gz XPFUPPQVLDQCPJ-UHFFFAOYSA-N 1 0 346.515 4.090 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC4(CCCC4)CC3)o2)c1 ZINC000595643283 1035754605 /nfs/dbraw/zinc/75/46/05/1035754605.db2.gz WZGYCKAAPCHBQU-UHFFFAOYSA-N 1 0 336.439 4.155 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)cc1F ZINC000595879898 1035802242 /nfs/dbraw/zinc/80/22/42/1035802242.db2.gz WOKKHCAIVXJWJA-UHFFFAOYSA-N 1 0 334.394 4.138 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595889136 1035803418 /nfs/dbraw/zinc/80/34/18/1035803418.db2.gz HMSDTPVZAAZVRP-HIFRSBDPSA-N 1 0 340.389 4.029 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CC3CCC3)o2)c1 ZINC000595870691 1035805256 /nfs/dbraw/zinc/80/52/56/1035805256.db2.gz JJZDIKAFJRZAEG-SFHVURJKSA-N 1 0 336.439 4.153 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnccc1C(F)(F)F ZINC000596114410 1035828247 /nfs/dbraw/zinc/82/82/47/1035828247.db2.gz BPVMXMKVCPKTRK-KRWDZBQOSA-N 1 0 331.341 4.139 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnccc1C(F)(F)F ZINC000596114414 1035828957 /nfs/dbraw/zinc/82/89/57/1035828957.db2.gz BPVMXMKVCPKTRK-QGZVFWFLSA-N 1 0 331.341 4.139 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)ccn1 ZINC000586776382 1035833705 /nfs/dbraw/zinc/83/37/05/1035833705.db2.gz GPLZCPFOHWLIHH-ZWKOTPCHSA-N 1 0 345.368 4.398 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3ccc(C#N)cc3)CC1)CC2 ZINC000586790861 1035847207 /nfs/dbraw/zinc/84/72/07/1035847207.db2.gz TUJWPKDMRBUTMK-JOCHJYFZSA-N 1 0 331.463 4.113 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CSCc4ccccc43)CC2)cc1 ZINC000586789375 1035848223 /nfs/dbraw/zinc/84/82/23/1035848223.db2.gz ZGWUTHAPKXFWJR-NRFANRHFSA-N 1 0 349.503 4.105 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)cc1 ZINC000760646932 1035855097 /nfs/dbraw/zinc/85/50/97/1035855097.db2.gz LGNQMBOTUDBLDI-UHFFFAOYSA-N 1 0 337.463 4.171 20 30 EIEDRO CC[C@H](c1ccccc1)[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502177392 1035894443 /nfs/dbraw/zinc/89/44/43/1035894443.db2.gz QOMQQJQVJBLQON-OAQYLSRUSA-N 1 0 347.462 4.360 20 30 EIEDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1Cl)CC2 ZINC000366743859 1035907725 /nfs/dbraw/zinc/90/77/25/1035907725.db2.gz KHKCJOVWQKEYLE-XJKSGUPXSA-N 1 0 342.874 4.197 20 30 EIEDRO C=CCOc1ccc(CNc2ccc(C[NH+](C)C)cc2F)cc1OC ZINC000414486112 1035912239 /nfs/dbraw/zinc/91/22/39/1035912239.db2.gz KCBMUDPXCSWBHM-UHFFFAOYSA-N 1 0 344.430 4.073 20 30 EIEDRO C[C@H](O)[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccccc1F ZINC000571453567 1036049253 /nfs/dbraw/zinc/04/92/53/1036049253.db2.gz XUZPVGGDCUXKAE-WVFSVQOHSA-N 1 0 338.426 4.177 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](c2ccccc2)O1 ZINC000597001471 1036066076 /nfs/dbraw/zinc/06/60/76/1036066076.db2.gz ULKGHIBLTKZQQB-DYESRHJHSA-N 1 0 332.447 4.204 20 30 EIEDRO CC(C)[N@H+](CCc1nccs1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597021403 1036075648 /nfs/dbraw/zinc/07/56/48/1036075648.db2.gz QEKFGHQEATVOOA-UHFFFAOYSA-N 1 0 325.481 4.151 20 30 EIEDRO N#C[C@H]1CC[C@@H](Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000571563123 1036089570 /nfs/dbraw/zinc/08/95/70/1036089570.db2.gz QMJIRYXDWPQKFX-FUHWJXTLSA-N 1 0 329.513 4.369 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC(c3ccnn3CCC)CC2)cc1 ZINC000502313322 1036091984 /nfs/dbraw/zinc/09/19/84/1036091984.db2.gz RVXBEDGHEGNKQF-UHFFFAOYSA-N 1 0 339.483 4.238 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)cc2)CC1 ZINC000597088832 1036103019 /nfs/dbraw/zinc/10/30/19/1036103019.db2.gz RXNXOSHWGBKFNK-QHCPKHFHSA-N 1 0 344.458 4.263 20 30 EIEDRO C=CC[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000597186154 1036152782 /nfs/dbraw/zinc/15/27/82/1036152782.db2.gz BZNJYJPHFHFSCR-SFHVURJKSA-N 1 0 334.467 4.252 20 30 EIEDRO N#CCCn1cc(C[N@H+]2CCC[C@H](CCF)C2)c(-c2ccccc2)n1 ZINC000597212804 1036157055 /nfs/dbraw/zinc/15/70/55/1036157055.db2.gz ZQVYLGVDMKKLIL-QGZVFWFLSA-N 1 0 340.446 4.035 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCCCC#N)cc1 ZINC000588156465 1036232863 /nfs/dbraw/zinc/23/28/63/1036232863.db2.gz PMFQNIDOMSKMKL-KRWDZBQOSA-N 1 0 327.472 4.474 20 30 EIEDRO CSCCCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000076764923 1036233586 /nfs/dbraw/zinc/23/35/86/1036233586.db2.gz OCTONALWRRDOLO-UHFFFAOYSA-N 1 0 340.492 4.370 20 30 EIEDRO C=CCC1([NH2+][C@H]2C[C@@H](OCC)[C@@H]2Sc2ccccc2)CCOCC1 ZINC000668551602 1036277144 /nfs/dbraw/zinc/27/71/44/1036277144.db2.gz RRXMTCAOTKFMMA-IPMKNSEASA-N 1 0 347.524 4.040 20 30 EIEDRO C=CCC1([NH2+][C@H](C)Cc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000668551742 1036277169 /nfs/dbraw/zinc/27/71/69/1036277169.db2.gz VMWOXHIEDGEQHZ-CQSZACIVSA-N 1 0 327.390 4.351 20 30 EIEDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000502511247 1036279580 /nfs/dbraw/zinc/27/95/80/1036279580.db2.gz LVXBQYBOKKAQFG-FQEVSTJZSA-N 1 0 339.414 4.013 20 30 EIEDRO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421365984 1036310974 /nfs/dbraw/zinc/31/09/74/1036310974.db2.gz RKPHSINHBZSWOX-SGTLLEGYSA-N 1 0 332.806 4.217 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)ccc1OC ZINC000602285635 1036385154 /nfs/dbraw/zinc/38/51/54/1036385154.db2.gz JUNLPAPCFNTVHG-MRXNPFEDSA-N 1 0 343.471 4.278 20 30 EIEDRO CCOc1ccccc1Oc1ccc(C[NH2+]C[C@@H](C)CCC#N)cn1 ZINC000602520212 1036477234 /nfs/dbraw/zinc/47/72/34/1036477234.db2.gz KYQZNAJKWQDRMV-INIZCTEOSA-N 1 0 339.439 4.302 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000602526848 1036492665 /nfs/dbraw/zinc/49/26/65/1036492665.db2.gz GGJQIOZMPHXNSV-LBPRGKRZSA-N 1 0 349.887 4.138 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCc1csc2ccccc12 ZINC000602528125 1036493610 /nfs/dbraw/zinc/49/36/10/1036493610.db2.gz NARHDDMENPPREG-HNNXBMFYSA-N 1 0 328.481 4.132 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000602529578 1036494191 /nfs/dbraw/zinc/49/41/91/1036494191.db2.gz GINRAOFESZTQNS-OAHLLOKOSA-N 1 0 332.875 4.060 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000602566411 1036495966 /nfs/dbraw/zinc/49/59/66/1036495966.db2.gz HTKRBLKUBRLHBA-KFWWJZLASA-N 1 0 332.410 4.044 20 30 EIEDRO COc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1OC1CCCC1 ZINC000602534671 1036497454 /nfs/dbraw/zinc/49/74/54/1036497454.db2.gz IUIOBYQMTHNOBM-UHFFFAOYSA-N 1 0 328.456 4.189 20 30 EIEDRO CC(C)[C@@H]1[N@H+](Cc2cccc(OCCCC#N)c2)CC12CCOCC2 ZINC000414530314 1036504607 /nfs/dbraw/zinc/50/46/07/1036504607.db2.gz QFHGAFJCWRLBKH-FQEVSTJZSA-N 1 0 342.483 4.006 20 30 EIEDRO COc1ccc([C@H]([NH2+]C[C@@H](C)CCC#N)c2ccccc2OC)cc1 ZINC000602580272 1036511095 /nfs/dbraw/zinc/51/10/95/1036511095.db2.gz FRVJPGWRGCSIIP-KKSFZXQISA-N 1 0 338.451 4.323 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000602601370 1036514842 /nfs/dbraw/zinc/51/48/42/1036514842.db2.gz KUAYPRBRTPBIGG-STQMWFEESA-N 1 0 326.271 4.102 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000602648155 1036540079 /nfs/dbraw/zinc/54/00/79/1036540079.db2.gz MCEZNGYWDDZENE-HHXXYDBFSA-N 1 0 330.447 4.150 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000602648154 1036540877 /nfs/dbraw/zinc/54/08/77/1036540877.db2.gz MCEZNGYWDDZENE-AYBZRNKSSA-N 1 0 330.447 4.150 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000414534725 1036558778 /nfs/dbraw/zinc/55/87/78/1036558778.db2.gz KDDJVMYWSGWYQE-ZDUSSCGKSA-N 1 0 326.387 4.439 20 30 EIEDRO COCC[C@@H]([NH2+]C1CCC(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000602681765 1036571864 /nfs/dbraw/zinc/57/18/64/1036571864.db2.gz LIVUPPJWUHXAHU-QWFMPGPPSA-N 1 0 340.389 4.455 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602701660 1036577439 /nfs/dbraw/zinc/57/74/39/1036577439.db2.gz WRQQJHKYIJTPMS-FYYLOGMGSA-N 1 0 345.490 4.210 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ncc(Br)s1 ZINC000414537555 1036581941 /nfs/dbraw/zinc/58/19/41/1036581941.db2.gz PIEYFLXKRFTQJG-ZDUSSCGKSA-N 1 0 337.286 4.183 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000602704859 1036582701 /nfs/dbraw/zinc/58/27/01/1036582701.db2.gz HDZQMNWUTMHONP-GFCCVEGCSA-N 1 0 327.255 4.182 20 30 EIEDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)c2ccccc21 ZINC000602712369 1036587161 /nfs/dbraw/zinc/58/71/61/1036587161.db2.gz NBPYSTWPJACQCB-QIRNKGDASA-N 1 0 340.467 4.229 20 30 EIEDRO CC(C)CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C ZINC000588953764 1036635383 /nfs/dbraw/zinc/63/53/83/1036635383.db2.gz KQLOOWJZZNMLOO-IBGZPJMESA-N 1 0 342.531 4.363 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2scc(C)c2C#N)cc1)C(C)C ZINC000589035441 1036639501 /nfs/dbraw/zinc/63/95/01/1036639501.db2.gz NBLSSLHJOXTCJI-UHFFFAOYSA-N 1 0 341.480 4.411 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cc1Br ZINC000035018989 1036648237 /nfs/dbraw/zinc/64/82/37/1036648237.db2.gz JWOBJAOLXKCEMV-LBPRGKRZSA-N 1 0 345.240 4.180 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](Cc3cccc(C(F)F)c3)CC2)nc1 ZINC000602906354 1036659553 /nfs/dbraw/zinc/65/95/53/1036659553.db2.gz GDTIJSQHYIFASP-UHFFFAOYSA-N 1 0 327.378 4.270 20 30 EIEDRO CC(C)(C)c1csc(CC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000602893709 1036662579 /nfs/dbraw/zinc/66/25/79/1036662579.db2.gz SVHFLVIIDSQYOU-HZPDHXFCSA-N 1 0 331.529 4.387 20 30 EIEDRO CC(C)(C)OCCCC[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893789 1036662692 /nfs/dbraw/zinc/66/26/92/1036662692.db2.gz HOKOZVDVWMBLKH-UHFFFAOYSA-N 1 0 329.488 4.030 20 30 EIEDRO C[C@H](c1ccc(F)cc1F)[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909262 1036663604 /nfs/dbraw/zinc/66/36/04/1036663604.db2.gz LBTCKGVOKOSLLP-CYBMUJFWSA-N 1 0 327.378 4.172 20 30 EIEDRO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602924973 1036670883 /nfs/dbraw/zinc/67/08/83/1036670883.db2.gz RUZJMFIVENWICB-GOSISDBHSA-N 1 0 327.359 4.021 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccc(Cl)c2ccccc21 ZINC000598603008 1036702790 /nfs/dbraw/zinc/70/27/90/1036702790.db2.gz DXELEEUKJLSQKO-ZIAGYGMSSA-N 1 0 330.859 4.445 20 30 EIEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1ccccc1C(F)(F)F ZINC000598613359 1036714207 /nfs/dbraw/zinc/71/42/07/1036714207.db2.gz WBERJZJVJSKRMF-HZSPNIEDSA-N 1 0 342.405 4.088 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@](C)(Cc1ccccc1)c1ccccc1 ZINC000598621765 1036717845 /nfs/dbraw/zinc/71/78/45/1036717845.db2.gz LWLFGJHZJYUECQ-IRLDBZIGSA-N 1 0 336.479 4.035 20 30 EIEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)[C@H]1c1ccccc1 ZINC000589267986 1036727074 /nfs/dbraw/zinc/72/70/74/1036727074.db2.gz VXKJZKHIGUIENH-NHCUHLMSSA-N 1 0 333.479 4.023 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCC2)nc1 ZINC000598642175 1036729472 /nfs/dbraw/zinc/72/94/72/1036729472.db2.gz CKVGPOJIFQFAIZ-UHFFFAOYSA-N 1 0 331.341 4.141 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C1 ZINC000589344103 1036741082 /nfs/dbraw/zinc/74/10/82/1036741082.db2.gz YELZHSAWOSIIKJ-TZMCWYRMSA-N 1 0 346.272 4.145 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2c[nH]c3cccc(Br)c23)C1 ZINC000589344101 1036742889 /nfs/dbraw/zinc/74/28/89/1036742889.db2.gz YELZHSAWOSIIKJ-JSGCOSHPSA-N 1 0 346.272 4.145 20 30 EIEDRO CC(=O)N1CC[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)c2ccccc21 ZINC000598679735 1036746441 /nfs/dbraw/zinc/74/64/41/1036746441.db2.gz LVTPSCLMKFKLNI-HXUWFJFHSA-N 1 0 345.446 4.025 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000598721048 1036759626 /nfs/dbraw/zinc/75/96/26/1036759626.db2.gz SMPNERVTSXIWRH-KRWDZBQOSA-N 1 0 342.414 4.008 20 30 EIEDRO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000593606552 1036766585 /nfs/dbraw/zinc/76/65/85/1036766585.db2.gz GIDISZRBRUMOEY-UHFFFAOYSA-N 1 0 342.446 4.140 20 30 EIEDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589503089 1036802859 /nfs/dbraw/zinc/80/28/59/1036802859.db2.gz JJNPBEHZKATITA-LBPRGKRZSA-N 1 0 334.341 4.436 20 30 EIEDRO C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCCCC1 ZINC000589497003 1036802957 /nfs/dbraw/zinc/80/29/57/1036802957.db2.gz BKSBLAHPLVBNML-CYBMUJFWSA-N 1 0 340.389 4.093 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)s1)CCCS2 ZINC000421876843 1036828896 /nfs/dbraw/zinc/82/88/96/1036828896.db2.gz KDMUVANTWNEOLV-MRXNPFEDSA-N 1 0 330.478 4.345 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)c1cccc(C#N)c1 ZINC000598965026 1036829381 /nfs/dbraw/zinc/82/93/81/1036829381.db2.gz KHXSQQCXFNZIBP-ZDUSSCGKSA-N 1 0 342.464 4.426 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)s1 ZINC000421879449 1036830796 /nfs/dbraw/zinc/83/07/96/1036830796.db2.gz NEUSZBRFIZOJPC-FZKQIMNGSA-N 1 0 330.428 4.016 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3ccccc3)C3CCC3)CC2)nc1 ZINC000603433596 1036838669 /nfs/dbraw/zinc/83/86/69/1036838669.db2.gz UGGCQGPGLJIRJK-JOCHJYFZSA-N 1 0 346.478 4.053 20 30 EIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(C#N)s3)cc2)C1 ZINC000486754271 1036847128 /nfs/dbraw/zinc/84/71/28/1036847128.db2.gz LTXKEBMDVXJQMJ-CQSZACIVSA-N 1 0 339.464 4.104 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CC[C@H](OCCC(C)C)CC2)ccc1C#N ZINC000598997196 1036847591 /nfs/dbraw/zinc/84/75/91/1036847591.db2.gz ZKFYFYSMQSKTPA-WGSAOQKQSA-N 1 0 330.472 4.030 20 30 EIEDRO CC(C)c1cccc([C@@H](C)[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000599028595 1036848935 /nfs/dbraw/zinc/84/89/35/1036848935.db2.gz XFAAKZXUCUSXDQ-QGZVFWFLSA-N 1 0 348.494 4.396 20 30 EIEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCC23CC3)c(-c2ccccc2)n1 ZINC000599018404 1036852159 /nfs/dbraw/zinc/85/21/59/1036852159.db2.gz XEAXZJUOFXYMCY-LJQANCHMSA-N 1 0 334.467 4.134 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Br)ccc1F ZINC000149615328 1036872259 /nfs/dbraw/zinc/87/22/59/1036872259.db2.gz LGXMKNLZCJFJTE-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H]3C[C@@H]3c3ccccc3)C2)c(F)c1 ZINC000503042766 1036884518 /nfs/dbraw/zinc/88/45/18/1036884518.db2.gz IPQZMOJUZHWNLM-SLFFLAALSA-N 1 0 349.453 4.059 20 30 EIEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)o1 ZINC000593688328 1036886366 /nfs/dbraw/zinc/88/63/66/1036886366.db2.gz OOULUXPNCBJCFB-IIBYNOLFSA-N 1 0 349.478 4.029 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)c2ccccc21 ZINC000593690028 1036894817 /nfs/dbraw/zinc/89/48/17/1036894817.db2.gz KUZNLYOFRYMMJP-WOJBJXKFSA-N 1 0 348.446 4.218 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc21 ZINC000593691187 1036896247 /nfs/dbraw/zinc/89/62/47/1036896247.db2.gz PFFWFXGBHUFDLA-UXHICEINSA-N 1 0 348.446 4.218 20 30 EIEDRO C[C@H]1CCCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695083 1036898321 /nfs/dbraw/zinc/89/83/21/1036898321.db2.gz HNNZKMOUCHULKU-UWJYYQICSA-N 1 0 325.500 4.081 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1CCCC1 ZINC000593694861 1036899366 /nfs/dbraw/zinc/89/93/66/1036899366.db2.gz CNGDIMPOWRUYIM-OAQYLSRUSA-N 1 0 325.500 4.081 20 30 EIEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695448 1036901973 /nfs/dbraw/zinc/90/19/73/1036901973.db2.gz PNYQRFHPSXULJN-RTWAWAEBSA-N 1 0 325.500 4.081 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@H]3CCC[C@H](C4CC4)C3)CC2)c1 ZINC000593702268 1036907820 /nfs/dbraw/zinc/90/78/20/1036907820.db2.gz KVNRFKGAHIRTGQ-UNMCSNQZSA-N 1 0 337.511 4.081 20 30 EIEDRO CC[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cccs1 ZINC000593721330 1036933411 /nfs/dbraw/zinc/93/34/11/1036933411.db2.gz LFMVKDJIOWGMDC-LJQANCHMSA-N 1 0 339.508 4.325 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)cc1C#N ZINC000599351085 1036966573 /nfs/dbraw/zinc/96/65/73/1036966573.db2.gz XABSCTNYYIOYBR-OAHLLOKOSA-N 1 0 333.435 4.066 20 30 EIEDRO CC(C)[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000599353493 1036966752 /nfs/dbraw/zinc/96/67/52/1036966752.db2.gz HWTCZOLQSAOVJB-CVEARBPZSA-N 1 0 340.389 4.047 20 30 EIEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000599362018 1036976843 /nfs/dbraw/zinc/97/68/43/1036976843.db2.gz OLRLDLIXWAZRQX-MSOLQXFVSA-N 1 0 332.875 4.216 20 30 EIEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)CC1 ZINC000599362021 1036978265 /nfs/dbraw/zinc/97/82/65/1036978265.db2.gz OLRLDLIXWAZRQX-ZWKOTPCHSA-N 1 0 332.875 4.216 20 30 EIEDRO Cc1ccccc1C([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccccc1C ZINC000599363087 1036980154 /nfs/dbraw/zinc/98/01/54/1036980154.db2.gz AIMHKOIQPBJBOI-GOSISDBHSA-N 1 0 334.463 4.037 20 30 EIEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000599420358 1036995067 /nfs/dbraw/zinc/99/50/67/1036995067.db2.gz FIEVLLFVABXGBV-MLGOLLRUSA-N 1 0 339.266 4.089 20 30 EIEDRO N#CCSCCC[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000271749670 1037007458 /nfs/dbraw/zinc/00/74/58/1037007458.db2.gz XJSXAKNGCGLOEJ-IBGZPJMESA-N 1 0 326.465 4.043 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1C#N ZINC000487201884 1037049315 /nfs/dbraw/zinc/04/93/15/1037049315.db2.gz JMHNAQTWZMJTQX-UHFFFAOYSA-N 1 0 349.312 4.084 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000590644006 1037130178 /nfs/dbraw/zinc/13/01/78/1037130178.db2.gz SIGFCRCOFGLMOQ-LSJNQWAISA-N 1 0 331.891 4.228 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCC(OC(F)F)CC1 ZINC000590780134 1037163872 /nfs/dbraw/zinc/16/38/72/1037163872.db2.gz MDTFLJPPWUCGED-LEOMRAHMSA-N 1 0 334.410 4.466 20 30 EIEDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000272507649 1037208443 /nfs/dbraw/zinc/20/84/43/1037208443.db2.gz IHPSKUROUGMQTL-UHFFFAOYSA-N 1 0 342.874 4.268 20 30 EIEDRO C[C@H]1C[C@H](Nc2cccc(OCC#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000272825911 1037305187 /nfs/dbraw/zinc/30/51/87/1037305187.db2.gz HFKQJYZBMIMBEZ-FXAWDEMLSA-N 1 0 335.451 4.054 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)s1 ZINC000183823180 1037317014 /nfs/dbraw/zinc/31/70/14/1037317014.db2.gz NCXXDDKMUVQJAX-UHFFFAOYSA-N 1 0 346.253 4.153 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](C3CCC3)C2)c(-c2ccccc2)n1 ZINC000591267752 1037354289 /nfs/dbraw/zinc/35/42/89/1037354289.db2.gz KVPLHTXKDUEQKR-IBGZPJMESA-N 1 0 334.467 4.086 20 30 EIEDRO C=CCCCCC[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000488128518 1037366123 /nfs/dbraw/zinc/36/61/23/1037366123.db2.gz MJNJUESOJVBPJH-UHFFFAOYSA-N 1 0 332.488 4.327 20 30 EIEDRO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCCC#N)CCC3)cc1 ZINC000273164507 1037368276 /nfs/dbraw/zinc/36/82/76/1037368276.db2.gz ALVMLCBKNMYYOM-HNNXBMFYSA-N 1 0 327.453 4.089 20 30 EIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)cc1 ZINC000488160302 1037382707 /nfs/dbraw/zinc/38/27/07/1037382707.db2.gz SATPGCYPVLSQKK-INIZCTEOSA-N 1 0 330.435 4.212 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591348988 1037389925 /nfs/dbraw/zinc/38/99/25/1037389925.db2.gz ZLENTHVYLVVOQY-FGZHOGPDSA-N 1 0 327.431 4.475 20 30 EIEDRO CCCC[N@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)c1ccccc1 ZINC000604503348 1037413932 /nfs/dbraw/zinc/41/39/32/1037413932.db2.gz DPZYBPPRFUVTAS-GOSISDBHSA-N 1 0 341.499 4.192 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488294680 1037490486 /nfs/dbraw/zinc/49/04/86/1037490486.db2.gz HNIKBSLYKJBCLW-RTWAWAEBSA-N 1 0 338.426 4.358 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000591580702 1037504827 /nfs/dbraw/zinc/50/48/27/1037504827.db2.gz NPEMRYNABFOYLR-DHIUTWEWSA-N 1 0 341.458 4.378 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000591581301 1037505655 /nfs/dbraw/zinc/50/56/55/1037505655.db2.gz NPEMRYNABFOYLR-PKTZIBPZSA-N 1 0 341.458 4.378 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sccc1C1CC1)C(C)C ZINC000591643554 1037539968 /nfs/dbraw/zinc/53/99/68/1037539968.db2.gz XRCATXKJVDYPPC-QGZVFWFLSA-N 1 0 332.513 4.054 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2)cc1OC ZINC000591712418 1037543394 /nfs/dbraw/zinc/54/33/94/1037543394.db2.gz VLIXEBFHDZPDIF-HNNXBMFYSA-N 1 0 329.415 4.292 20 30 EIEDRO Cc1cc(F)ccc1C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000488570749 1037669627 /nfs/dbraw/zinc/66/96/27/1037669627.db2.gz DZESQBRXHIQWDH-UHFFFAOYSA-N 1 0 326.415 4.449 20 30 EIEDRO N#Cc1cnccc1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000592113685 1037735874 /nfs/dbraw/zinc/73/58/74/1037735874.db2.gz HCJKEKTVIPZUGH-AEFFLSMTSA-N 1 0 345.368 4.398 20 30 EIEDRO N#CCCC1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000592135582 1037740935 /nfs/dbraw/zinc/74/09/35/1037740935.db2.gz RDJFUFCXSPAGFJ-UHFFFAOYSA-N 1 0 347.462 4.455 20 30 EIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)F)cc1 ZINC000183931330 1037757671 /nfs/dbraw/zinc/75/76/71/1037757671.db2.gz HPUXVJWVZTWIID-UHFFFAOYSA-N 1 0 330.378 4.144 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000592303766 1037773806 /nfs/dbraw/zinc/77/38/06/1037773806.db2.gz OIOVBFBIAFULHL-SFHVURJKSA-N 1 0 349.906 4.131 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=S)Nc1cccc(C)c1C)C(C)C ZINC000911614578 1037783339 /nfs/dbraw/zinc/78/33/39/1037783339.db2.gz YBOANJSDXLQKKJ-IBGZPJMESA-N 1 0 345.556 4.288 20 30 EIEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000129371001 1037809350 /nfs/dbraw/zinc/80/93/50/1037809350.db2.gz XDBMZMFQGRLLEU-SJLPKXTDSA-N 1 0 345.874 4.194 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)C(CC)CC)CC1 ZINC000592494496 1037820327 /nfs/dbraw/zinc/82/03/27/1037820327.db2.gz XVGYYTYZPBHROJ-FQEVSTJZSA-N 1 0 343.515 4.114 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N(CCCC)[C@@H](C)c2ccc(C)o2)CC1 ZINC000592526147 1037825990 /nfs/dbraw/zinc/82/59/90/1037825990.db2.gz VLBBSJKYCNSVDX-KRWDZBQOSA-N 1 0 347.503 4.111 20 30 EIEDRO C=CCCCCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000488987061 1037827909 /nfs/dbraw/zinc/82/79/09/1037827909.db2.gz WIQUMCDCDHDIHR-YLJYHZDGSA-N 1 0 329.488 4.122 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc(OC)c1O ZINC000605827386 1037863228 /nfs/dbraw/zinc/86/32/28/1037863228.db2.gz MUEIKOXNXFYBIG-FQEVSTJZSA-N 1 0 337.463 4.240 20 30 EIEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000058581584 1037872590 /nfs/dbraw/zinc/87/25/90/1037872590.db2.gz MJPZXOLDMKPTMG-MOPGFXCFSA-N 1 0 343.492 4.053 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC000593959368 1037964737 /nfs/dbraw/zinc/96/47/37/1037964737.db2.gz AULGXUMHHLLXIQ-QGZVFWFLSA-N 1 0 349.478 4.217 20 30 EIEDRO CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000423235044 1038053224 /nfs/dbraw/zinc/05/32/24/1038053224.db2.gz GDYFYTSPIWKXGJ-VBKZILBWSA-N 1 0 325.431 4.171 20 30 EIEDRO CC(C)(C)OC(=O)[C@@](C)(C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000593681445 1038125513 /nfs/dbraw/zinc/12/55/13/1038125513.db2.gz XSCGUQNHVSDJQJ-NRFANRHFSA-N 1 0 344.499 4.206 20 30 EIEDRO CN(Cc1cccc(Br)c1)Cc1ccc(F)cc1C#N ZINC000489596808 1038154154 /nfs/dbraw/zinc/15/41/54/1038154154.db2.gz MWUIJEKAGZBAEI-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO CC(C)(C)OC(=O)[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)c2ccccc21 ZINC000593692016 1038153785 /nfs/dbraw/zinc/15/37/85/1038153785.db2.gz UUQDNKZYGNQGFG-ZWKOTPCHSA-N 1 0 342.483 4.476 20 30 EIEDRO CC(C)(C)OC(=O)[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)c2ccccc21 ZINC000593692015 1038155063 /nfs/dbraw/zinc/15/50/63/1038155063.db2.gz UUQDNKZYGNQGFG-ROUUACIJSA-N 1 0 342.483 4.476 20 30 EIEDRO C#CCCCCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000150855740 1038180429 /nfs/dbraw/zinc/18/04/29/1038180429.db2.gz WPDCJOSPXXHFNY-UHFFFAOYSA-N 1 0 341.499 4.376 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC000594009882 1038201646 /nfs/dbraw/zinc/20/16/46/1038201646.db2.gz NSRQDGRIKXTTJG-QGZVFWFLSA-N 1 0 349.478 4.217 20 30 EIEDRO C=CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489679598 1038206796 /nfs/dbraw/zinc/20/67/96/1038206796.db2.gz MTWIIVNJYWCDRH-YADHBBJMSA-N 1 0 348.490 4.079 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c(F)c1 ZINC000594021267 1038214147 /nfs/dbraw/zinc/21/41/47/1038214147.db2.gz QWJXTDHUTXBCCE-UHFFFAOYSA-N 1 0 346.409 4.020 20 30 EIEDRO CCOc1cccc(C[NH2+]Cc2ccc(CC#N)cc2)c1OC(F)F ZINC000574398578 1038217207 /nfs/dbraw/zinc/21/72/07/1038217207.db2.gz FCRPHZHPZVUTRG-UHFFFAOYSA-N 1 0 346.377 4.043 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1noc2ccccc21 ZINC000593959136 1038228932 /nfs/dbraw/zinc/22/89/32/1038228932.db2.gz HAUPYOARYQWRAB-UYAOXDASSA-N 1 0 331.419 4.142 20 30 EIEDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CC#N)cc1)CCCS2 ZINC000574452377 1038251582 /nfs/dbraw/zinc/25/15/82/1038251582.db2.gz FOBMILIGSRBWCK-LJQANCHMSA-N 1 0 338.476 4.478 20 30 EIEDRO C=CCCCCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000606816824 1038257161 /nfs/dbraw/zinc/25/71/61/1038257161.db2.gz OHSYFZCFGYXYJJ-HXUWFJFHSA-N 1 0 328.500 4.103 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000594038307 1038268720 /nfs/dbraw/zinc/26/87/20/1038268720.db2.gz ONFIIZHIBGPFOO-UHFFFAOYSA-N 1 0 332.325 4.236 20 30 EIEDRO C=CCCc1ccccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000504263672 1038308947 /nfs/dbraw/zinc/30/89/47/1038308947.db2.gz BQVKEXADTMVELN-SFHVURJKSA-N 1 0 326.484 4.398 20 30 EIEDRO CC(C)(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594434005 1038332490 /nfs/dbraw/zinc/33/24/90/1038332490.db2.gz WHVKGCPBMBGCTK-DLBZAZTESA-N 1 0 349.906 4.345 20 30 EIEDRO CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000594430720 1038334086 /nfs/dbraw/zinc/33/40/86/1038334086.db2.gz BMKBLGMCQWPMRN-NVXWUHKLSA-N 1 0 341.455 4.144 20 30 EIEDRO CC(C)c1ccc([C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594426767 1038339820 /nfs/dbraw/zinc/33/98/20/1038339820.db2.gz RWYGJRMNFLFXMB-OALUTQOASA-N 1 0 329.488 4.035 20 30 EIEDRO CC[C@H](C)c1ccc([C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594425240 1038340109 /nfs/dbraw/zinc/34/01/09/1038340109.db2.gz GPPDVAUYEFAFEX-FFZOFVMBSA-N 1 0 343.515 4.425 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000594499405 1038349328 /nfs/dbraw/zinc/34/93/28/1038349328.db2.gz GMVOMMHLWHHUSM-UHFFFAOYSA-N 1 0 340.854 4.366 20 30 EIEDRO CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594514688 1038357853 /nfs/dbraw/zinc/35/78/53/1038357853.db2.gz ZHRSYNRMWQQTQT-AEFFLSMTSA-N 1 0 342.483 4.088 20 30 EIEDRO Cc1cccc2oc(CC[NH2+]Cc3ccc(C(C)(C)C#N)cc3)nc21 ZINC000594514067 1038358343 /nfs/dbraw/zinc/35/83/43/1038358343.db2.gz OYPUWJJSEQAITF-UHFFFAOYSA-N 1 0 333.435 4.270 20 30 EIEDRO Cc1ccccc1-n1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000594518911 1038360193 /nfs/dbraw/zinc/36/01/93/1038360193.db2.gz QUWBWPBBJFWUGG-UHFFFAOYSA-N 1 0 342.446 4.221 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1 ZINC000594612699 1038382751 /nfs/dbraw/zinc/38/27/51/1038382751.db2.gz PTFIVHWSSFCGNL-UHFFFAOYSA-N 1 0 344.462 4.462 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCCO3)cc2)CC1 ZINC000594916976 1038427059 /nfs/dbraw/zinc/42/70/59/1038427059.db2.gz DWNFJUSWBIACKX-RTWAWAEBSA-N 1 0 332.447 4.252 20 30 EIEDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)N2CCCC2)o1 ZINC000594925451 1038429948 /nfs/dbraw/zinc/42/99/48/1038429948.db2.gz LRMUPYVHFPBZOR-HXUWFJFHSA-N 1 0 349.478 4.070 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@H](c3ccco3)N3CCCCC3)cc2)CC1 ZINC000594929245 1038430538 /nfs/dbraw/zinc/43/05/38/1038430538.db2.gz RBJWZVFUDPFZQF-HXUWFJFHSA-N 1 0 349.478 4.152 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cc(C)cc(C)c2)cc1OCCCC#N ZINC000594974165 1038484456 /nfs/dbraw/zinc/48/44/56/1038484456.db2.gz UNPIRLRDQZWYSL-UHFFFAOYSA-N 1 0 338.451 4.284 20 30 EIEDRO Cc1c(Br)cncc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594970218 1038484987 /nfs/dbraw/zinc/48/49/87/1038484987.db2.gz VNVNKOQSHYSWEP-UHFFFAOYSA-N 1 0 344.256 4.049 20 30 EIEDRO COc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)ccc1SC ZINC000594970606 1038485412 /nfs/dbraw/zinc/48/54/12/1038485412.db2.gz ZQJGCQSFGLFYRN-UHFFFAOYSA-N 1 0 326.465 4.314 20 30 EIEDRO CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594933834 1038494301 /nfs/dbraw/zinc/49/43/01/1038494301.db2.gz CNHPJSIHUSAYKN-FOIQADDNSA-N 1 0 338.426 4.247 20 30 EIEDRO CC(C)(C)c1nc(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cs1 ZINC000594938164 1038499849 /nfs/dbraw/zinc/49/98/49/1038499849.db2.gz QZDVMKXGQMPXNR-UHFFFAOYSA-N 1 0 339.508 4.328 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3cc(F)c(Cl)cc3F)cc2)CC1 ZINC000594938681 1038499927 /nfs/dbraw/zinc/49/99/27/1038499927.db2.gz NTNCNXXBVBAZQC-UHFFFAOYSA-N 1 0 332.781 4.463 20 30 EIEDRO C[NH+](C)[C@H]1CCOc2c(NCc3ccc(C4(C#N)CC4)cc3)cccc21 ZINC000594939522 1038506411 /nfs/dbraw/zinc/50/64/11/1038506411.db2.gz RQLZCIAGCIZAAK-FQEVSTJZSA-N 1 0 347.462 4.239 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@H](c1ccccc1)N(C)C ZINC000594948206 1038527261 /nfs/dbraw/zinc/52/72/61/1038527261.db2.gz WZADWRZGWCZHME-DYESRHJHSA-N 1 0 333.479 4.023 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000594965185 1038557021 /nfs/dbraw/zinc/55/70/21/1038557021.db2.gz RHNYMKFXWAVHNB-UNMCSNQZSA-N 1 0 337.511 4.247 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000594965182 1038560003 /nfs/dbraw/zinc/56/00/03/1038560003.db2.gz RHNYMKFXWAVHNB-IFMALSPDSA-N 1 0 337.511 4.247 20 30 EIEDRO N#Cc1csc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCCOC2)c1 ZINC000594964876 1038560354 /nfs/dbraw/zinc/56/03/54/1038560354.db2.gz BOEJPWZELLERLY-SFHVURJKSA-N 1 0 346.883 4.155 20 30 EIEDRO COc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc(Cl)c1OC ZINC000594967162 1038564201 /nfs/dbraw/zinc/56/42/01/1038564201.db2.gz NXMPTPYJNXKUGJ-UHFFFAOYSA-N 1 0 344.842 4.254 20 30 EIEDRO Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424111552 1038587401 /nfs/dbraw/zinc/58/74/01/1038587401.db2.gz HOARHRPMRAEECI-KRWDZBQOSA-N 1 0 345.512 4.380 20 30 EIEDRO CCCc1ccc(-c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)cc1 ZINC000424122556 1038610543 /nfs/dbraw/zinc/61/05/43/1038610543.db2.gz HBHWDGBWIDVXBB-FQEVSTJZSA-N 1 0 335.451 4.266 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000424187813 1038730220 /nfs/dbraw/zinc/73/02/20/1038730220.db2.gz BLGCDOCRLHVQGI-SWLSCSKDSA-N 1 0 345.240 4.491 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000424290888 1038769635 /nfs/dbraw/zinc/76/96/35/1038769635.db2.gz CJRZBQYPHWCSGQ-QRTARXTBSA-N 1 0 327.390 4.207 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000424298853 1038773971 /nfs/dbraw/zinc/77/39/71/1038773971.db2.gz UDALRORMOZQZCX-IFIJOSMWSA-N 1 0 346.471 4.499 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000424300287 1038774221 /nfs/dbraw/zinc/77/42/21/1038774221.db2.gz XJUYKNFPLJSPBD-XKQJLSEDSA-N 1 0 336.273 4.007 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000424298450 1038775592 /nfs/dbraw/zinc/77/55/92/1038775592.db2.gz SITGYXQBWYRUQB-SZMVWBNQSA-N 1 0 333.472 4.116 20 30 EIEDRO CSC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000424336666 1038811006 /nfs/dbraw/zinc/81/10/06/1038811006.db2.gz YDXMNSRSDNBUKX-NILFDRSVSA-N 1 0 328.403 4.391 20 30 EIEDRO Cc1ccc([C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)N2CCCC2)cc1 ZINC000554987958 1038813024 /nfs/dbraw/zinc/81/30/24/1038813024.db2.gz OFARDJXDMFWNRP-GOTSBHOMSA-N 1 0 345.490 4.281 20 30 EIEDRO C=CCCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000117879106 1038823614 /nfs/dbraw/zinc/82/36/14/1038823614.db2.gz MSZQRFOCFMHIOA-UHFFFAOYSA-N 1 0 328.378 4.321 20 30 EIEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000539077169 1038824676 /nfs/dbraw/zinc/82/46/76/1038824676.db2.gz JUAFQUXKIZHSBX-NEPJUHHUSA-N 1 0 342.277 4.157 20 30 EIEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000612457733 1038827154 /nfs/dbraw/zinc/82/71/54/1038827154.db2.gz NJLHPBLRXNLZCV-GJZGRUSLSA-N 1 0 347.890 4.001 20 30 EIEDRO CCCC[C@@H](COC)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000539081823 1038827553 /nfs/dbraw/zinc/82/75/53/1038827553.db2.gz WHARCHNEEJUSFQ-XBMUEBEBSA-N 1 0 330.472 4.043 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000174091512 1038840897 /nfs/dbraw/zinc/84/08/97/1038840897.db2.gz DJGZJCHKGLFHJA-DNVCBOLYSA-N 1 0 349.434 4.099 20 30 EIEDRO CCCC(C)(C)[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)Cc1cccs1 ZINC000555071066 1038856898 /nfs/dbraw/zinc/85/68/98/1038856898.db2.gz LAMCLXNIBZYXGM-INIZCTEOSA-N 1 0 349.544 4.137 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000462032702 1038875639 /nfs/dbraw/zinc/87/56/39/1038875639.db2.gz PUMUNKBQVNUWOD-CQSZACIVSA-N 1 0 339.277 4.112 20 30 EIEDRO CCCOc1ccc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1OC ZINC000539251973 1038895690 /nfs/dbraw/zinc/89/56/90/1038895690.db2.gz HACCYJGBHVWNPK-INIZCTEOSA-N 1 0 341.426 4.325 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000539280207 1038914290 /nfs/dbraw/zinc/91/42/90/1038914290.db2.gz XEORHQYBIVHXSL-PZJWPPBQSA-N 1 0 343.442 4.035 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000505057841 1038927548 /nfs/dbraw/zinc/92/75/48/1038927548.db2.gz MHSXDEDTSOAFER-KRWDZBQOSA-N 1 0 329.488 4.001 20 30 EIEDRO C=CCC1(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000555174427 1038930925 /nfs/dbraw/zinc/93/09/25/1038930925.db2.gz QVJIDEGXRGKEGE-FQEVSTJZSA-N 1 0 340.511 4.151 20 30 EIEDRO Cc1cnc([C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)C2CC2)s1 ZINC000174544748 1038995484 /nfs/dbraw/zinc/99/54/84/1038995484.db2.gz NBMLYXMQMUYMBD-GOSISDBHSA-N 1 0 340.496 4.042 20 30 EIEDRO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000424740409 1039048856 /nfs/dbraw/zinc/04/88/56/1039048856.db2.gz RFWULDNYJDVPRC-VQTJNVASSA-N 1 0 340.511 4.102 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000552091495 1039118588 /nfs/dbraw/zinc/11/85/88/1039118588.db2.gz OVJAJAMBBNYWCB-FQEVSTJZSA-N 1 0 338.407 4.327 20 30 EIEDRO N#CCCOCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000555415470 1039183784 /nfs/dbraw/zinc/18/37/84/1039183784.db2.gz WXCDRINXRQEBKU-UHFFFAOYSA-N 1 0 340.389 4.385 20 30 EIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(C(C)(C)C#N)cc3)ccc21 ZINC000456317807 1039274711 /nfs/dbraw/zinc/27/47/11/1039274711.db2.gz MWSUNSBKDGKTFF-FQEVSTJZSA-N 1 0 347.462 4.289 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000513830042 1039308323 /nfs/dbraw/zinc/30/83/23/1039308323.db2.gz OTOCAMPCOIKYNZ-HXUWFJFHSA-N 1 0 340.511 4.453 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000513830041 1039308868 /nfs/dbraw/zinc/30/88/68/1039308868.db2.gz OTOCAMPCOIKYNZ-FQEVSTJZSA-N 1 0 340.511 4.453 20 30 EIEDRO CC(C)(CCC#N)CN1CCc2cc(F)cc(Br)c2C1 ZINC000600212968 1039375869 /nfs/dbraw/zinc/37/58/69/1039375869.db2.gz MLTBSQWUUSRJJM-UHFFFAOYSA-N 1 0 339.252 4.276 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1 ZINC000091681829 1039382603 /nfs/dbraw/zinc/38/26/03/1039382603.db2.gz UUNYFJYGLBJEDB-KRWDZBQOSA-N 1 0 336.435 4.021 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCCC3(CC3)CC2)c(-c2ccccc2)n1 ZINC000600215789 1039389036 /nfs/dbraw/zinc/38/90/36/1039389036.db2.gz NQBQWKZUQFECQO-UHFFFAOYSA-N 1 0 334.467 4.230 20 30 EIEDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000550832264 1039526862 /nfs/dbraw/zinc/52/68/62/1039526862.db2.gz CZBWNGVNPLLPBC-YLJYHZDGSA-N 1 0 335.451 4.428 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(F)cc1F ZINC000514091153 1039596621 /nfs/dbraw/zinc/59/66/21/1039596621.db2.gz XUBSJVNQEHRJJC-AWEZNQCLSA-N 1 0 341.405 4.156 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000514092864 1039598966 /nfs/dbraw/zinc/59/89/66/1039598966.db2.gz GMHKADLJGDUNIX-QKNQBKEWSA-N 1 0 337.511 4.476 20 30 EIEDRO CCC(CC)C[N@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000514116860 1039627632 /nfs/dbraw/zinc/62/76/32/1039627632.db2.gz MXFYPNANDBIYKJ-UHFFFAOYSA-N 1 0 347.528 4.195 20 30 EIEDRO CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)CC(C)C ZINC000514113549 1039628024 /nfs/dbraw/zinc/62/80/24/1039628024.db2.gz VLZCPTQYHLNDPK-UHFFFAOYSA-N 1 0 344.503 4.008 20 30 EIEDRO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1)CCC2 ZINC000093364964 1039669926 /nfs/dbraw/zinc/66/99/26/1039669926.db2.gz NOSRDWFKAONKPL-SCLBCKFNSA-N 1 0 341.480 4.252 20 30 EIEDRO C=C[C@@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21)c1ccccc1 ZINC000534736084 1039756984 /nfs/dbraw/zinc/75/69/84/1039756984.db2.gz UYLRCJRNQJXHFI-RXVVDRJESA-N 1 0 346.474 4.358 20 30 EIEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000093868665 1039761317 /nfs/dbraw/zinc/76/13/17/1039761317.db2.gz XGYYJERXAJXSAV-IEBWSBKVSA-N 1 0 332.513 4.475 20 30 EIEDRO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093845391 1039763415 /nfs/dbraw/zinc/76/34/15/1039763415.db2.gz VEFYSDKIMCJHCO-OAQYLSRUSA-N 1 0 337.467 4.435 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)CC2 ZINC000550894728 1039817091 /nfs/dbraw/zinc/81/70/91/1039817091.db2.gz GHUXTEGQEIQNED-MRXNPFEDSA-N 1 0 332.325 4.076 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)CC2 ZINC000550894727 1039817449 /nfs/dbraw/zinc/81/74/49/1039817449.db2.gz GHUXTEGQEIQNED-INIZCTEOSA-N 1 0 332.325 4.076 20 30 EIEDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000537648864 1039826786 /nfs/dbraw/zinc/82/67/86/1039826786.db2.gz WKUWIYQAGIKSJB-IBGZPJMESA-N 1 0 332.451 4.049 20 30 EIEDRO CC(C)[C@@H]1[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC12CCC2 ZINC000430083803 1039832711 /nfs/dbraw/zinc/83/27/11/1039832711.db2.gz ICKMTTWZEBSXTB-NRFANRHFSA-N 1 0 348.494 4.474 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000157691666 1039842188 /nfs/dbraw/zinc/84/21/88/1039842188.db2.gz YUYJWFLFPDFXIH-KRWDZBQOSA-N 1 0 334.341 4.102 20 30 EIEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000434770276 1039864900 /nfs/dbraw/zinc/86/49/00/1039864900.db2.gz ZMZNIBNTTVNTIA-AGERRDQYSA-N 1 0 327.472 4.058 20 30 EIEDRO C=CCC1(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CCC1 ZINC000478707530 1039872369 /nfs/dbraw/zinc/87/23/69/1039872369.db2.gz XWIVQXMKMLTNLQ-GOSISDBHSA-N 1 0 340.511 4.424 20 30 EIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)ccc1OC ZINC000535067331 1039929342 /nfs/dbraw/zinc/92/93/42/1039929342.db2.gz NSABMUJMIOGVOK-IBGZPJMESA-N 1 0 338.451 4.382 20 30 EIEDRO C=C[C@H](CC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000505586997 1039984048 /nfs/dbraw/zinc/98/40/48/1039984048.db2.gz KZOZPHPTORHBIB-HMFYCAOWSA-N 1 0 336.479 4.154 20 30 EIEDRO CC(C)c1ccc(OC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000514643327 1040077090 /nfs/dbraw/zinc/07/70/90/1040077090.db2.gz FXBIQAVCZLDJDI-UHFFFAOYSA-N 1 0 337.467 4.064 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+]CCCCc3ccc(Cl)s3)n2c1 ZINC000551232204 1040096294 /nfs/dbraw/zinc/09/62/94/1040096294.db2.gz LZJFCGBDLRUHDW-UHFFFAOYSA-N 1 0 344.871 4.033 20 30 EIEDRO CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000553315101 1040121426 /nfs/dbraw/zinc/12/14/26/1040121426.db2.gz PKGPNQUXUZEGTI-CYBMUJFWSA-N 1 0 342.468 4.000 20 30 EIEDRO C=C[C@@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000535333552 1040194024 /nfs/dbraw/zinc/19/40/24/1040194024.db2.gz SOPLNEIVROWIJB-SFHVURJKSA-N 1 0 328.500 4.117 20 30 EIEDRO C=C[C@@H](CC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000535340147 1040205263 /nfs/dbraw/zinc/20/52/63/1040205263.db2.gz JYDCQJSFRSOVJB-GHTZIAJQSA-N 1 0 336.479 4.074 20 30 EIEDRO Cc1c(Br)cccc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551401655 1040270786 /nfs/dbraw/zinc/27/07/86/1040270786.db2.gz LXXJZAUPNGMPSQ-UHFFFAOYSA-N 1 0 341.252 4.408 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)cc1 ZINC000425352002 1040303584 /nfs/dbraw/zinc/30/35/84/1040303584.db2.gz OERHBRIGOFZSMC-UHFFFAOYSA-N 1 0 337.492 4.273 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)s2)ccc1OC(F)F ZINC000553608332 1040337874 /nfs/dbraw/zinc/33/78/74/1040337874.db2.gz UPWVKYLKEZKOJG-JTQLQIEISA-N 1 0 338.379 4.081 20 30 EIEDRO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000479469024 1040395709 /nfs/dbraw/zinc/39/57/09/1040395709.db2.gz VFJCIMHSXGDRSR-LPHOPBHVSA-N 1 0 340.442 4.386 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(OCCCC)c(OC)c2)CC1 ZINC000482633370 1040400461 /nfs/dbraw/zinc/40/04/61/1040400461.db2.gz QKZAQIPFWXFRSA-QGZVFWFLSA-N 1 0 346.515 4.175 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](C)c2oc3ccc(OC)cc3c2C)CC1 ZINC000482652104 1040412058 /nfs/dbraw/zinc/41/20/58/1040412058.db2.gz PZPYXUMHOXFVDG-OAHLLOKOSA-N 1 0 328.456 4.051 20 30 EIEDRO C[C@@H]([NH2+]CCc1cc(Br)ccc1F)c1ccc(C#N)cc1 ZINC000539499261 1040488032 /nfs/dbraw/zinc/48/80/32/1040488032.db2.gz FFRRWNYSBAGKFY-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO CC(C)CC(C)(C)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539510650 1040490782 /nfs/dbraw/zinc/49/07/82/1040490782.db2.gz IVECEZHSDTUICM-UHFFFAOYSA-N 1 0 327.516 4.185 20 30 EIEDRO CC1(C)CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc21 ZINC000539529341 1040513427 /nfs/dbraw/zinc/51/34/27/1040513427.db2.gz MNQUGHKBJULSCU-KRWDZBQOSA-N 1 0 344.462 4.151 20 30 EIEDRO C[N@H+](Cc1ccc(CC#N)cc1)[C@]1(c2ccccc2)CCCCC1=O ZINC000551734076 1040545101 /nfs/dbraw/zinc/54/51/01/1040545101.db2.gz ODLABQGTWXPOKE-QFIPXVFZSA-N 1 0 332.447 4.223 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccs1 ZINC000482880894 1040546858 /nfs/dbraw/zinc/54/68/58/1040546858.db2.gz BZHNOHRNPANDHD-DOTOQJQBSA-N 1 0 343.471 4.469 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)ccc1F ZINC000160530957 1040589289 /nfs/dbraw/zinc/58/92/89/1040589289.db2.gz BMUSKOOROQDQSQ-UHFFFAOYSA-N 1 0 335.382 4.218 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC(C)C)c(OCC)c1 ZINC000435736610 1040590212 /nfs/dbraw/zinc/59/02/12/1040590212.db2.gz YMDOUPDKDCDGPI-RXVVDRJESA-N 1 0 347.499 4.191 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000435746172 1040598670 /nfs/dbraw/zinc/59/86/70/1040598670.db2.gz UKYFRZFQLOJJJJ-BEFAXECRSA-N 1 0 334.891 4.011 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(C#N)c(F)c1 ZINC000539602262 1040600348 /nfs/dbraw/zinc/60/03/48/1040600348.db2.gz FQECCQGHLNOCOH-LBPRGKRZSA-N 1 0 334.341 4.192 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)c1ccc(C#N)c(F)c1 ZINC000539602253 1040600671 /nfs/dbraw/zinc/60/06/71/1040600671.db2.gz FIUUABOYSAZGEC-KBXCAEBGSA-N 1 0 343.471 4.247 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)c(F)c1 ZINC000539607258 1040605385 /nfs/dbraw/zinc/60/53/85/1040605385.db2.gz HCYIKPWTYOKMEQ-CBCUQQMYSA-N 1 0 346.446 4.248 20 30 EIEDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1ccc(C#N)c(F)c1 ZINC000539609056 1040608275 /nfs/dbraw/zinc/60/82/75/1040608275.db2.gz BZIWNHQHEDFWML-TWOQFEAHSA-N 1 0 337.442 4.011 20 30 EIEDRO CC(C)(C#N)CC[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC000539614546 1040610132 /nfs/dbraw/zinc/61/01/32/1040610132.db2.gz VOZVIRFDPHBVHC-SFHVURJKSA-N 1 0 326.415 4.475 20 30 EIEDRO CC(C)(C#N)CC[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC000539614542 1040610977 /nfs/dbraw/zinc/61/09/77/1040610977.db2.gz VOZVIRFDPHBVHC-GOSISDBHSA-N 1 0 326.415 4.475 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(NC3(c4cccc(C#N)c4)CC3)CC2)C1 ZINC000551811106 1040621659 /nfs/dbraw/zinc/62/16/59/1040621659.db2.gz FHFFYWDNACFWFJ-DYESRHJHSA-N 1 0 337.511 4.180 20 30 EIEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000477604723 1040640669 /nfs/dbraw/zinc/64/06/69/1040640669.db2.gz ICMPVWPLJBBEGE-MRXNPFEDSA-N 1 0 349.478 4.008 20 30 EIEDRO OCC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000553945576 1040648979 /nfs/dbraw/zinc/64/89/79/1040648979.db2.gz JPUDXZDFDNQQLD-GOSISDBHSA-N 1 0 334.246 4.058 20 30 EIEDRO Cn1cc(C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)cc1C#N ZINC000483155912 1040741200 /nfs/dbraw/zinc/74/12/00/1040741200.db2.gz KIUJAPLKAYHLLY-UHFFFAOYSA-N 1 0 333.410 4.238 20 30 EIEDRO Cn1cc(C[N@H+](CCc2ccccc2F)C2CCCC2)cc1C#N ZINC000483156345 1040743175 /nfs/dbraw/zinc/74/31/75/1040743175.db2.gz KONKFQRDBMTBBZ-UHFFFAOYSA-N 1 0 325.431 4.023 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000554068111 1040756461 /nfs/dbraw/zinc/75/64/61/1040756461.db2.gz XQYMLQKPKGWCTP-CHWSQXEVSA-N 1 0 333.357 4.254 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000479913134 1040789055 /nfs/dbraw/zinc/78/90/55/1040789055.db2.gz HPBMMUFWQMEZEK-FBBABVLZSA-N 1 0 348.494 4.407 20 30 EIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCc2ccccc2C1 ZINC000539828809 1040825011 /nfs/dbraw/zinc/82/50/11/1040825011.db2.gz IKLHSQXANJXZTH-OAQYLSRUSA-N 1 0 334.463 4.358 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(OC)cc2)c1 ZINC000537868329 1040862886 /nfs/dbraw/zinc/86/28/86/1040862886.db2.gz NXUPVIAGYDRIRB-IIBYNOLFSA-N 1 0 341.451 4.126 20 30 EIEDRO C=CC[N@@H+](Cc1cccc(Br)c1OC(F)F)C1CC1 ZINC000537852709 1040865208 /nfs/dbraw/zinc/86/52/08/1040865208.db2.gz KUEWTTSQWKRUOV-UHFFFAOYSA-N 1 0 332.188 4.201 20 30 EIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1F ZINC000483559135 1040894692 /nfs/dbraw/zinc/89/46/92/1040894692.db2.gz ZGBATZFYGWOWKP-IBGZPJMESA-N 1 0 342.389 4.018 20 30 EIEDRO N#Cc1cc(F)ccc1CN(Cc1ccc(F)cc1)C1CCOCC1 ZINC000554264428 1040925742 /nfs/dbraw/zinc/92/57/42/1040925742.db2.gz QJINRIKHGIEREA-UHFFFAOYSA-N 1 0 342.389 4.018 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)CO2 ZINC000537962567 1040934134 /nfs/dbraw/zinc/93/41/34/1040934134.db2.gz DBNYXOXHAZNITH-AATLZSDMSA-N 1 0 332.447 4.422 20 30 EIEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000539972961 1040949640 /nfs/dbraw/zinc/94/96/40/1040949640.db2.gz CBOPXRUTQRORGF-QWHCGFSZSA-N 1 0 348.899 4.410 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]CC#Cc2ccccc2)cnn1-c1ccc(F)cc1 ZINC000483715466 1040969785 /nfs/dbraw/zinc/96/97/85/1040969785.db2.gz XBNOAAINZCJQGL-MRXNPFEDSA-N 1 0 333.410 4.022 20 30 EIEDRO COc1ccccc1C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)C ZINC000483710438 1040979919 /nfs/dbraw/zinc/97/99/19/1040979919.db2.gz LYKOSXRAHYIZMD-LJQANCHMSA-N 1 0 326.415 4.063 20 30 EIEDRO N#Cc1cccc(Cl)c1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000462818212 1040995397 /nfs/dbraw/zinc/99/53/97/1040995397.db2.gz VMNIWJNZZVTBIC-QGZVFWFLSA-N 1 0 339.870 4.188 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000436283213 1041026701 /nfs/dbraw/zinc/02/67/01/1041026701.db2.gz LDOQJVZKBBYMFQ-LESCRADOSA-N 1 0 339.426 4.180 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000436281811 1041027990 /nfs/dbraw/zinc/02/79/90/1041027990.db2.gz FOGKSYFQDCXBIE-ZENOOKHLSA-N 1 0 329.362 4.217 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccccc1OC)C1CCCC1 ZINC000436286849 1041037488 /nfs/dbraw/zinc/03/74/88/1041037488.db2.gz BIKUURIUORAMES-YYWHXJBOSA-N 1 0 329.484 4.497 20 30 EIEDRO CC1CC[NH+](C[C@H]2CCCN(c3cc(C#N)c4ccccc4n3)C2)CC1 ZINC000538089452 1041042574 /nfs/dbraw/zinc/04/25/74/1041042574.db2.gz RABYOUPLHRVRLG-GOSISDBHSA-N 1 0 348.494 4.055 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000436292335 1041057587 /nfs/dbraw/zinc/05/75/87/1041057587.db2.gz LJTBXVGOWXAFHB-LXZKKBNFSA-N 1 0 327.390 4.207 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1)C1CC1 ZINC000540055147 1041076526 /nfs/dbraw/zinc/07/65/26/1041076526.db2.gz LOADKWHDWRCLJW-UHFFFAOYSA-N 1 0 348.446 4.296 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000436307441 1041077681 /nfs/dbraw/zinc/07/76/81/1041077681.db2.gz NOWULGQGIPHVCQ-ALKREAHSSA-N 1 0 329.440 4.463 20 30 EIEDRO N#CCc1ccc(CN2CCc3cc(Br)ccc3C2)cc1 ZINC000484001753 1041086319 /nfs/dbraw/zinc/08/63/19/1041086319.db2.gz FELZVHJRHSUZIM-UHFFFAOYSA-N 1 0 341.252 4.073 20 30 EIEDRO C=CCCC[C@H](C)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000538149199 1041115370 /nfs/dbraw/zinc/11/53/70/1041115370.db2.gz MWDNNSDMNINRSX-ZDUSSCGKSA-N 1 0 326.282 4.027 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]CC#Cc2cccc(Cl)c2)cc1OC ZINC000538167728 1041123028 /nfs/dbraw/zinc/12/30/28/1041123028.db2.gz PHRGWJNUHJRNLH-OAHLLOKOSA-N 1 0 343.854 4.450 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]C3CC(c4ccccc4)C3)CC2)nc1 ZINC000127990872 1041130122 /nfs/dbraw/zinc/13/01/22/1041130122.db2.gz SOZSLWMYKVDTCY-UHFFFAOYSA-N 1 0 347.462 4.179 20 30 EIEDRO C=CCOc1cccc(NC(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000554460194 1041136173 /nfs/dbraw/zinc/13/61/73/1041136173.db2.gz YSHYZQMKYLKSDA-UHFFFAOYSA-N 1 0 345.487 4.029 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1 ZINC000538204942 1041139698 /nfs/dbraw/zinc/13/96/98/1041139698.db2.gz OGYOJUBDSVYCMN-AWEZNQCLSA-N 1 0 344.455 4.287 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000538195249 1041164933 /nfs/dbraw/zinc/16/49/33/1041164933.db2.gz OGMKDFNCWWFLRE-CJNGLKHVSA-N 1 0 346.471 4.101 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)s1 ZINC000436416268 1041218951 /nfs/dbraw/zinc/21/89/51/1041218951.db2.gz MHTSTZUHASJTNA-QMMMGPOBSA-N 1 0 327.272 4.295 20 30 EIEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000480358301 1041238480 /nfs/dbraw/zinc/23/84/80/1041238480.db2.gz CSCOAPKFXNKQOG-MRXNPFEDSA-N 1 0 345.446 4.423 20 30 EIEDRO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC1CCCCC1 ZINC000484518920 1041307703 /nfs/dbraw/zinc/30/77/03/1041307703.db2.gz WXQYONJIZYBGQD-UHFFFAOYSA-N 1 0 345.874 4.218 20 30 EIEDRO CCC[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538395913 1041313197 /nfs/dbraw/zinc/31/31/97/1041313197.db2.gz SNPPXAOPAUSQEP-RBBKRZOGSA-N 1 0 339.527 4.471 20 30 EIEDRO CCC1CCC(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000538394800 1041313345 /nfs/dbraw/zinc/31/33/45/1041313345.db2.gz PMPRATPOTGHRHE-UHFFFAOYSA-N 1 0 339.527 4.329 20 30 EIEDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538511197 1041398261 /nfs/dbraw/zinc/39/82/61/1041398261.db2.gz QZGKCAQFUONZEI-KBPBESRZSA-N 1 0 340.398 4.098 20 30 EIEDRO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000463189529 1041406443 /nfs/dbraw/zinc/40/64/43/1041406443.db2.gz ARSPZKHXYWPKNM-SLFFLAALSA-N 1 0 331.887 4.097 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000540397091 1041439895 /nfs/dbraw/zinc/43/98/95/1041439895.db2.gz IDWOZYOZWOCHMV-DOTOQJQBSA-N 1 0 342.508 4.270 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2cc(Cl)ccc2Br)C1 ZINC000463235557 1041442048 /nfs/dbraw/zinc/44/20/48/1041442048.db2.gz XLNYETUULDNRSN-RISCZKNCSA-N 1 0 341.680 4.317 20 30 EIEDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1OC(F)F ZINC000192941052 1041447093 /nfs/dbraw/zinc/44/70/93/1041447093.db2.gz LJHRZZUZSJIYSO-ZDUSSCGKSA-N 1 0 346.377 4.409 20 30 EIEDRO N#Cc1ccc(N[C@H](C[NH+]2CCCC2)c2ccccc2)cc1Cl ZINC000461452719 1041459297 /nfs/dbraw/zinc/45/92/97/1041459297.db2.gz WASIUOYYVJIEEP-LJQANCHMSA-N 1 0 325.843 4.461 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCc3ccccc3)cc2)C1 ZINC000463283794 1041473973 /nfs/dbraw/zinc/47/39/73/1041473973.db2.gz QGDNFQZHSBAYFB-NHCUHLMSSA-N 1 0 334.463 4.480 20 30 EIEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc(Br)c1 ZINC000463300606 1041483665 /nfs/dbraw/zinc/48/36/65/1041483665.db2.gz KGFOOFVPKDZXEL-CZUORRHYSA-N 1 0 335.289 4.399 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2c(F)cccc2Cl)N2CCCC2)C1 ZINC000463301271 1041485246 /nfs/dbraw/zinc/48/52/46/1041485246.db2.gz OWJHRKCHWBELBD-VKJFTORMSA-N 1 0 349.881 4.288 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000904446298 1041488020 /nfs/dbraw/zinc/48/80/20/1041488020.db2.gz YBVIAJSACLXQGN-UWJYYQICSA-N 1 0 341.499 4.274 20 30 EIEDRO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000516307785 1041512927 /nfs/dbraw/zinc/51/29/27/1041512927.db2.gz IVVYRBFZXMKBFP-UHFFFAOYSA-N 1 0 334.463 4.005 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000538750906 1041527332 /nfs/dbraw/zinc/52/73/32/1041527332.db2.gz GEIGOULWPKMZMP-OAQYLSRUSA-N 1 0 337.463 4.290 20 30 EIEDRO C=C(C)CN(CC)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000538773571 1041531705 /nfs/dbraw/zinc/53/17/05/1041531705.db2.gz VDTWTJGHBMTLCA-UHFFFAOYSA-N 1 0 343.515 4.391 20 30 EIEDRO CC(C)([NH3+])c1ccc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000904585776 1041534097 /nfs/dbraw/zinc/53/40/97/1041534097.db2.gz SFVUOASWROLTFC-GOSISDBHSA-N 1 0 336.439 4.047 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)s1 ZINC000540595417 1041551113 /nfs/dbraw/zinc/55/11/13/1041551113.db2.gz IYTNHNLEKDVSNU-UHFFFAOYSA-N 1 0 341.263 4.485 20 30 EIEDRO N#Cc1ccc(C2=CCN(Cc3cc(-c4ccccc4)n[nH]3)CC2)cc1 ZINC000538824427 1041556912 /nfs/dbraw/zinc/55/69/12/1041556912.db2.gz HSGWIACCNRKERV-UHFFFAOYSA-N 1 0 340.430 4.238 20 30 EIEDRO CC[NH+](CC)C[C@H](C)Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001225869601 1041573570 /nfs/dbraw/zinc/57/35/70/1041573570.db2.gz BZYZAMVBVKEULR-ZETCQYMHSA-N 1 0 347.274 4.371 20 30 EIEDRO CC(C)(CCC#N)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000505908028 1041582573 /nfs/dbraw/zinc/58/25/73/1041582573.db2.gz SQYJUCDAPXHGAV-UHFFFAOYSA-N 1 0 339.405 4.157 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1[N+](=O)[O-] ZINC000540707554 1041606417 /nfs/dbraw/zinc/60/64/17/1041606417.db2.gz IJRLDPQWCICWDA-STQMWFEESA-N 1 0 327.359 4.326 20 30 EIEDRO CCCOc1cccc(CC[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000540707502 1041606443 /nfs/dbraw/zinc/60/64/43/1041606443.db2.gz GFOUAWCLAUIBRG-HNNXBMFYSA-N 1 0 326.415 4.379 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)cc1C ZINC000437127497 1041668785 /nfs/dbraw/zinc/66/87/85/1041668785.db2.gz BCWOFRZKARFMAF-UHFFFAOYSA-N 1 0 346.377 4.109 20 30 EIEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000463726409 1041722303 /nfs/dbraw/zinc/72/23/03/1041722303.db2.gz GWHOZGDZRURSKY-MRVPVSSYSA-N 1 0 333.247 4.197 20 30 EIEDRO CC1(C#N)CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000506018327 1041736096 /nfs/dbraw/zinc/73/60/96/1041736096.db2.gz STISLXXAWXGQAZ-INIZCTEOSA-N 1 0 333.273 4.452 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(C#N)cc1F ZINC000540976469 1041760936 /nfs/dbraw/zinc/76/09/36/1041760936.db2.gz FWVBAPRKTVHLOR-LBPRGKRZSA-N 1 0 334.341 4.192 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2cn(C)nc2C)C(C)(C)C)cc1 ZINC000506046366 1041794655 /nfs/dbraw/zinc/79/46/55/1041794655.db2.gz VRBRNVUIABHTSA-UHFFFAOYSA-N 1 0 327.472 4.094 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](Cc2cnn(CC)c2)C(C)(C)C)cc1 ZINC000506046296 1041794733 /nfs/dbraw/zinc/79/47/33/1041794733.db2.gz UIOINXVJWHPSBF-UHFFFAOYSA-N 1 0 327.472 4.269 20 30 EIEDRO CC1(C#N)CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000506052835 1041812730 /nfs/dbraw/zinc/81/27/30/1041812730.db2.gz ZMIHNPKRJQJQAJ-UHFFFAOYSA-N 1 0 340.389 4.490 20 30 EIEDRO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]2CCCC[C@H]21 ZINC000541112082 1041819384 /nfs/dbraw/zinc/81/93/84/1041819384.db2.gz LMYCDFXGHKSGBB-FUHIMQAGSA-N 1 0 349.478 4.248 20 30 EIEDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000090107148 1041833360 /nfs/dbraw/zinc/83/33/60/1041833360.db2.gz ORINCTUVEQNKHU-ZDUSSCGKSA-N 1 0 329.469 4.176 20 30 EIEDRO Cc1ccc2cc(C[N@H+](C)CCOCc3ccc(C#N)cc3)ccc2n1 ZINC000517036946 1041844407 /nfs/dbraw/zinc/84/44/07/1041844407.db2.gz CSMMLUORSDOKFK-UHFFFAOYSA-N 1 0 345.446 4.064 20 30 EIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(CC#N)cc1 ZINC000541283101 1041882563 /nfs/dbraw/zinc/88/25/63/1041882563.db2.gz SZUDYQYJMBDEAL-IBGZPJMESA-N 1 0 343.858 4.138 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000517250947 1041926063 /nfs/dbraw/zinc/92/60/63/1041926063.db2.gz XYJGSEJCEHLFCG-WBIUFABUSA-N 1 0 342.302 4.069 20 30 EIEDRO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000438057946 1042033305 /nfs/dbraw/zinc/03/33/05/1042033305.db2.gz WBJQMIKUBCZIJV-UWJYYQICSA-N 1 0 344.499 4.086 20 30 EIEDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000541613994 1042036850 /nfs/dbraw/zinc/03/68/50/1042036850.db2.gz WGIALBRDMIUPAV-ZFWWWQNUSA-N 1 0 344.503 4.054 20 30 EIEDRO N#Cc1cccc(C2CC[NH+]([C@@H]3CCc4cc(F)ccc4C3)CC2)c1 ZINC001168438681 1042051668 /nfs/dbraw/zinc/05/16/68/1042051668.db2.gz NKRNYTROXZKILL-JOCHJYFZSA-N 1 0 334.438 4.434 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccc(C#N)cc1 ZINC000541847602 1042137028 /nfs/dbraw/zinc/13/70/28/1042137028.db2.gz FAMDRCIQHGOJGX-CZUORRHYSA-N 1 0 343.833 4.280 20 30 EIEDRO Cc1ccc(CC[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]2CCCO2)cc1 ZINC000464779775 1042160161 /nfs/dbraw/zinc/16/01/61/1042160161.db2.gz PTRRJZXGSKZTSV-QFIPXVFZSA-N 1 0 334.463 4.090 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000517889589 1042241253 /nfs/dbraw/zinc/24/12/53/1042241253.db2.gz YSMJHWMNFGVNEO-OXJNMPFZSA-N 1 0 334.463 4.409 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)F)cc1C#N ZINC000266188216 1042290693 /nfs/dbraw/zinc/29/06/93/1042290693.db2.gz IAZJJWAQYPSMKF-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO CCc1cnccc1[C@@H](C)[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000542124496 1042293708 /nfs/dbraw/zinc/29/37/08/1042293708.db2.gz CIYODDVPHKQVTP-CQSZACIVSA-N 1 0 348.368 4.245 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2ccc(CC#N)cc2)ccc1SC ZINC000542202586 1042332876 /nfs/dbraw/zinc/33/28/76/1042332876.db2.gz OVCSVRVQGBXCHZ-UHFFFAOYSA-N 1 0 326.465 4.115 20 30 EIEDRO C=CCC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000438986938 1042452163 /nfs/dbraw/zinc/45/21/63/1042452163.db2.gz OFXSFKQTBKTVBP-MJGOQNOKSA-N 1 0 327.447 4.001 20 30 EIEDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000549928739 1042492553 /nfs/dbraw/zinc/49/25/53/1042492553.db2.gz ZOKJXNBBLXZDCU-NSHDSACASA-N 1 0 349.312 4.336 20 30 EIEDRO CCOCCC1(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CCCC1 ZINC000151876496 1042519990 /nfs/dbraw/zinc/51/99/90/1042519990.db2.gz WFMWBQHPDASRCK-KRWDZBQOSA-N 1 0 330.472 4.054 20 30 EIEDRO CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271923887 1042521188 /nfs/dbraw/zinc/52/11/88/1042521188.db2.gz INBYCKKOBOZJMK-AWEZNQCLSA-N 1 0 339.414 4.143 20 30 EIEDRO COC(=O)CC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000271939076 1042534344 /nfs/dbraw/zinc/53/43/44/1042534344.db2.gz LFEXHIJXOCJXCK-KUHUBIRLSA-N 1 0 340.398 4.042 20 30 EIEDRO N#CCSCCC[NH+]1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000439319803 1042583613 /nfs/dbraw/zinc/58/36/13/1042583613.db2.gz AZDKYPQEJTXYIJ-UHFFFAOYSA-N 1 0 326.868 4.247 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H](O)c1c(F)cccc1F ZINC000271978887 1042601741 /nfs/dbraw/zinc/60/17/41/1042601741.db2.gz WMHVAEXVYAXJLD-WOVYWWTOSA-N 1 0 348.368 4.138 20 30 EIEDRO COc1ccc(NC(=[NH2+])NCc2cc(C)cc3c(C)c(C)[nH]c32)cc1 ZINC000261989332 1042606827 /nfs/dbraw/zinc/60/68/27/1042606827.db2.gz LBISKPOUBCHPCN-UHFFFAOYSA-N 1 0 336.439 4.029 20 30 EIEDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426374824 1042612143 /nfs/dbraw/zinc/61/21/43/1042612143.db2.gz ZCBVVMZXVYKFNW-SFHVURJKSA-N 1 0 332.369 4.233 20 30 EIEDRO CN(CC#Cc1ccc(Cl)cc1)Cc1ccc(Br)o1 ZINC000426385707 1042621548 /nfs/dbraw/zinc/62/15/48/1042621548.db2.gz QKPNQCNWMJOTLN-UHFFFAOYSA-N 1 0 338.632 4.179 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(-n2cccn2)c1 ZINC000439457358 1042627872 /nfs/dbraw/zinc/62/78/72/1042627872.db2.gz QFTSSHGATGAAGQ-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cc2Cl)C2CC2)cc1 ZINC000439460567 1042631040 /nfs/dbraw/zinc/63/10/40/1042631040.db2.gz YOVSMKCNIBTORB-IBGZPJMESA-N 1 0 326.827 4.461 20 30 EIEDRO C[N@H+](Cc1ccc(Br)c(F)c1)CC(C)(C)CCC#N ZINC000426388841 1042631254 /nfs/dbraw/zinc/63/12/54/1042631254.db2.gz JACNOAVUKZWCNW-UHFFFAOYSA-N 1 0 327.241 4.350 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000439448228 1042632801 /nfs/dbraw/zinc/63/28/01/1042632801.db2.gz ZVLSGUYEVKLGRT-WMZOPIPTSA-N 1 0 345.918 4.298 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c(Cl)c1 ZINC000439446818 1042633418 /nfs/dbraw/zinc/63/34/18/1042633418.db2.gz XVRNWTMNDXCIPD-MRXNPFEDSA-N 1 0 326.827 4.113 20 30 EIEDRO C[C@@H]([NH2+]CC(C)(C)Oc1cc(F)cc(F)c1)c1cccc(C#N)c1 ZINC000506619187 1042696969 /nfs/dbraw/zinc/69/69/69/1042696969.db2.gz VHKPPYXGPYENMD-CYBMUJFWSA-N 1 0 330.378 4.345 20 30 EIEDRO Cc1[nH+]c2ccc(Br)cc2c(N2CCC(C#N)CC2)c1C ZINC000174708105 1042709078 /nfs/dbraw/zinc/70/90/78/1042709078.db2.gz LFMSASHWNCFMHP-UHFFFAOYSA-N 1 0 344.256 4.354 20 30 EIEDRO CC(C)[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCC1 ZINC000174842364 1042715345 /nfs/dbraw/zinc/71/53/45/1042715345.db2.gz JWCJHDUGXNWYKX-UHFFFAOYSA-N 1 0 337.467 4.391 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)CC2 ZINC000518844127 1042720327 /nfs/dbraw/zinc/72/03/27/1042720327.db2.gz PDKMRBSULFUJJI-FQEVSTJZSA-N 1 0 335.426 4.075 20 30 EIEDRO CCc1nc(C)c([C@H](C)N(C)Cc2cc(C#N)ccc2OC)s1 ZINC000153177470 1042720865 /nfs/dbraw/zinc/72/08/65/1042720865.db2.gz QNTGLWTZCBYZNP-ZDUSSCGKSA-N 1 0 329.469 4.087 20 30 EIEDRO Cc1cc(CN[C@@H](c2cccc(F)c2)c2ccccn2)ccc1C#N ZINC000443992114 1042735246 /nfs/dbraw/zinc/73/52/46/1042735246.db2.gz WJJYHFLCEVBDNF-NRFANRHFSA-N 1 0 331.394 4.280 20 30 EIEDRO COc1ccc([C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)c2ccccc2OC)cc1 ZINC000518890389 1042739771 /nfs/dbraw/zinc/73/97/71/1042739771.db2.gz WYFBFTXDXWHCMH-CEQIKUNHSA-N 1 0 336.435 4.075 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000444002744 1042740471 /nfs/dbraw/zinc/74/04/71/1042740471.db2.gz PZRKRFXCJMPHKQ-PGRDOPGGSA-N 1 0 333.479 4.009 20 30 EIEDRO Cc1cc(CNc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)ccc1C#N ZINC000444002095 1042745736 /nfs/dbraw/zinc/74/57/36/1042745736.db2.gz JAWOYJOXRZPJDX-HDICACEKSA-N 1 0 349.478 4.088 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@H](C#N)C2CCCCC2)cc1)C(C)C ZINC000176575851 1042812351 /nfs/dbraw/zinc/81/23/51/1042812351.db2.gz UNRSZTWHTYKZPH-HXUWFJFHSA-N 1 0 341.499 4.119 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000130299950 1042822993 /nfs/dbraw/zinc/82/29/93/1042822993.db2.gz ZWFFZSIVRWPZMB-HOJAQTOUSA-N 1 0 343.515 4.066 20 30 EIEDRO Fc1ccc(C2([NH2+]CC#Cc3ccc(Cl)cc3)CCOCC2)cc1 ZINC000177152368 1042828810 /nfs/dbraw/zinc/82/88/10/1042828810.db2.gz ZHOQHNBNQKQRRS-UHFFFAOYSA-N 1 0 343.829 4.126 20 30 EIEDRO C=CCC[C@H](NC(=O)N(C)C1CC[NH+](CCC)CC1)c1ccccc1 ZINC000130923795 1042836544 /nfs/dbraw/zinc/83/65/44/1042836544.db2.gz HHCJNHFVAOMFCC-FQEVSTJZSA-N 1 0 343.515 4.210 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](C)C(c2ccccc2)c2ccccc2)CC1 ZINC000177910250 1042854585 /nfs/dbraw/zinc/85/45/85/1042854585.db2.gz JSYQZAHPGWEEER-LJQANCHMSA-N 1 0 334.507 4.447 20 30 EIEDRO Fc1ccc(C2([NH2+]CC#Cc3cccc(Cl)c3)CCOCC2)cc1 ZINC000178853715 1042877799 /nfs/dbraw/zinc/87/77/99/1042877799.db2.gz FEWHWBZHUOWFQM-UHFFFAOYSA-N 1 0 343.829 4.126 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CCc2cc3ccccc3o2)cc1 ZINC000152572873 1042899864 /nfs/dbraw/zinc/89/98/64/1042899864.db2.gz IHOPWMCUAJJZET-UHFFFAOYSA-N 1 0 333.435 4.115 20 30 EIEDRO Cc1cc(-c2noc([C@H]3[NH2+]CCC[C@H]3c3ccccc3)n2)ccc1C#N ZINC001211870612 1042938929 /nfs/dbraw/zinc/93/89/29/1042938929.db2.gz SXVBRQVWDFQJAC-OALUTQOASA-N 1 0 344.418 4.125 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2cccc3cc[nH]c32)cc(OC)c1OC ZINC000237208446 1042953149 /nfs/dbraw/zinc/95/31/49/1042953149.db2.gz DNTJPSXSAKSVKJ-UHFFFAOYSA-N 1 0 336.435 4.203 20 30 EIEDRO C[C@@H]1C[C@@H](N[C@@H](C#N)c2ccccc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006631 1043005056 /nfs/dbraw/zinc/00/50/56/1043005056.db2.gz NVCPRQJQHVSDIO-UDKICSLYSA-N 1 0 333.479 4.282 20 30 EIEDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000609166838 1043024751 /nfs/dbraw/zinc/02/47/51/1043024751.db2.gz MGDGIZYTGWJAFB-IBGZPJMESA-N 1 0 349.434 4.163 20 30 EIEDRO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000554951038 1043081689 /nfs/dbraw/zinc/08/16/89/1043081689.db2.gz SZLWYGLNQZLYNK-UXHICEINSA-N 1 0 339.870 4.055 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)cc1 ZINC000282462467 1043151099 /nfs/dbraw/zinc/15/10/99/1043151099.db2.gz OPRBMWRLPNEABM-KDOFPFPSSA-N 1 0 345.874 4.280 20 30 EIEDRO Cc1ccc(N=NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000727260085 1043175336 /nfs/dbraw/zinc/17/53/36/1043175336.db2.gz QFPHJCWVDKRJPA-UHFFFAOYSA-N 1 0 328.847 4.107 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCc2ccc(Br)cc2F)C1 ZINC000185829011 1043224289 /nfs/dbraw/zinc/22/42/89/1043224289.db2.gz LIYIWIWUBDHPNT-IUODEOHRSA-N 1 0 339.252 4.193 20 30 EIEDRO C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185864060 1043226090 /nfs/dbraw/zinc/22/60/90/1043226090.db2.gz PRAWUQFEQUPGFS-KWCYVHTRSA-N 1 0 339.252 4.191 20 30 EIEDRO C=CCOc1ccc(CN(C(=O)CC[NH2+]C(C)(C)C)C(C)(C)C)cc1 ZINC001128251926 1043246011 /nfs/dbraw/zinc/24/60/11/1043246011.db2.gz MADTYBSAFSNPIK-UHFFFAOYSA-N 1 0 346.515 4.157 20 30 EIEDRO C[C@@H](OC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000727640202 1043249639 /nfs/dbraw/zinc/24/96/39/1043249639.db2.gz XGRMOHVTWQCBJC-QGZVFWFLSA-N 1 0 348.446 4.462 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000487407589 1043258325 /nfs/dbraw/zinc/25/83/25/1043258325.db2.gz BYKSWDRJATYCGU-IBGZPJMESA-N 1 0 326.484 4.411 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000922010608 1043301876 /nfs/dbraw/zinc/30/18/76/1043301876.db2.gz FQGVNVAHNBMCPR-UHFFFAOYSA-N 1 0 338.842 4.005 20 30 EIEDRO N#Cc1ccc(-c2ccn(C[N@H+](CC3CC3)C3CCCCC3)n2)cc1 ZINC000727825088 1043309846 /nfs/dbraw/zinc/30/98/46/1043309846.db2.gz VGDYUDAWBYSDRP-UHFFFAOYSA-N 1 0 334.467 4.424 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](CCCOC)c1ccc(F)cc1 ZINC000282507696 1043322625 /nfs/dbraw/zinc/32/26/25/1043322625.db2.gz YPVJDAWRMCEGLP-HXUWFJFHSA-N 1 0 341.426 4.095 20 30 EIEDRO CC1(C)CCN(Cc2ccc(Br)cc2C#N)CCS1 ZINC000311941420 1043367847 /nfs/dbraw/zinc/36/78/47/1043367847.db2.gz HZVCZPMSKJEQJR-UHFFFAOYSA-N 1 0 339.302 4.038 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(SC)cc1OC ZINC000077988526 1043445093 /nfs/dbraw/zinc/44/50/93/1043445093.db2.gz RKGNKIAXJHYWBT-ZDUSSCGKSA-N 1 0 342.464 4.148 20 30 EIEDRO C=C(C)C[N@@H+](CC)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000442006525 1043456443 /nfs/dbraw/zinc/45/64/43/1043456443.db2.gz WMRSRLXQZNHDOS-UHFFFAOYSA-N 1 0 346.272 4.304 20 30 EIEDRO CC1CCC(Oc2cc(C[NH2+]Cc3cccc(C#N)c3)ccn2)CC1 ZINC000113955505 1043461371 /nfs/dbraw/zinc/46/13/71/1043461371.db2.gz JXPHAINDVHREIG-UHFFFAOYSA-N 1 0 335.451 4.201 20 30 EIEDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000499626472 1043497336 /nfs/dbraw/zinc/49/73/36/1043497336.db2.gz OUSLOAVFZXRPES-FZKQIMNGSA-N 1 0 348.368 4.189 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000494468434 1043502510 /nfs/dbraw/zinc/50/25/10/1043502510.db2.gz ATBGRYLQYHOSQH-RTBURBONSA-N 1 0 344.817 4.165 20 30 EIEDRO Clc1ccc([C@H]2OCC[C@H]2[NH2+]CC#Cc2ccccc2Cl)cc1 ZINC000494495360 1043521899 /nfs/dbraw/zinc/52/18/99/1043521899.db2.gz NQOBBZVYJPLMHM-RTBURBONSA-N 1 0 346.257 4.465 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cs1 ZINC000922121558 1043560836 /nfs/dbraw/zinc/56/08/36/1043560836.db2.gz GMBNRGGPHZLYBZ-OAHLLOKOSA-N 1 0 341.263 4.140 20 30 EIEDRO C=CCC1(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CCC1 ZINC000189462931 1043574181 /nfs/dbraw/zinc/57/41/81/1043574181.db2.gz NLEGGDVJHQEFOK-SFHVURJKSA-N 1 0 332.532 4.236 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N(CCC#N)C(C)(C)CC)cc1)C(C)C ZINC000189902212 1043656226 /nfs/dbraw/zinc/65/62/26/1043656226.db2.gz ZHIPMDHGBUOKEI-UHFFFAOYSA-N 1 0 343.515 4.461 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(F)c(F)c1 ZINC000190009774 1043670041 /nfs/dbraw/zinc/67/00/41/1043670041.db2.gz ICRVERALOHWZKO-CYBMUJFWSA-N 1 0 341.295 4.089 20 30 EIEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000010137114 1043731230 /nfs/dbraw/zinc/73/12/30/1043731230.db2.gz PKJPCCHDDVBCGD-IBGZPJMESA-N 1 0 341.842 4.137 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)cc1C#N ZINC000172688425 1043815776 /nfs/dbraw/zinc/81/57/76/1043815776.db2.gz IVTWJYKGLMNRBD-LBPRGKRZSA-N 1 0 332.350 4.019 20 30 EIEDRO C[N@H+](CCOCC(F)(F)C(F)F)Cc1ccc(C(F)(F)F)cc1 ZINC000682516480 1043824972 /nfs/dbraw/zinc/82/49/72/1043824972.db2.gz IWTAXYGCALUVLA-UHFFFAOYSA-N 1 0 347.274 4.054 20 30 EIEDRO CC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)Cc1cccc(Br)c1 ZINC000442783934 1043835163 /nfs/dbraw/zinc/83/51/63/1043835163.db2.gz UVXXZVQNFLUYPG-YSVLISHTSA-N 1 0 335.289 4.300 20 30 EIEDRO Cc1cc(NCC(C)(C)CCC#N)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000191679988 1043837490 /nfs/dbraw/zinc/83/74/90/1043837490.db2.gz XPYGJGXILGMLPY-UHFFFAOYSA-N 1 0 342.531 4.267 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000442823401 1043849360 /nfs/dbraw/zinc/84/93/60/1043849360.db2.gz FGCIGRRYDQMXQV-WFASDCNBSA-N 1 0 331.872 4.288 20 30 EIEDRO CCc1nc([C@H](C)/[NH+]=C\c2ccc(N(CC)CC)cc2O)cs1 ZINC000731937566 1043850827 /nfs/dbraw/zinc/85/08/27/1043850827.db2.gz KJPGIEIEBUWHFF-JFENUBAZSA-N 1 0 331.485 4.437 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)ccc1C#N ZINC000442809510 1043851779 /nfs/dbraw/zinc/85/17/79/1043851779.db2.gz KPCJTNYECDUJFX-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000442875144 1043873771 /nfs/dbraw/zinc/87/37/71/1043873771.db2.gz OCHRZILKYLFVEQ-QWQCLYJRSA-N 1 0 333.273 4.356 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000467384525 1043889060 /nfs/dbraw/zinc/88/90/60/1043889060.db2.gz JETPTIFWFYDBDU-KRWDZBQOSA-N 1 0 333.435 4.288 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(CC#N)c2ccccc2)cc1 ZINC000265826575 1043893807 /nfs/dbraw/zinc/89/38/07/1043893807.db2.gz AUESIUKYEOULKX-UHFFFAOYSA-N 1 0 335.451 4.089 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C)CC2)cc1OCCCC#N ZINC000442992185 1043936143 /nfs/dbraw/zinc/93/61/43/1043936143.db2.gz BWWFAKBLMZZAGU-WMZOPIPTSA-N 1 0 330.472 4.436 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000011047979 1043944602 /nfs/dbraw/zinc/94/46/02/1043944602.db2.gz JQCICHMEYFAKJT-JOCHJYFZSA-N 1 0 328.415 4.446 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)CCCc2ccccc2)CC1 ZINC000494728861 1043970992 /nfs/dbraw/zinc/97/09/92/1043970992.db2.gz GDAFBOZWPRHGHW-UHFFFAOYSA-N 1 0 342.527 4.192 20 30 EIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000443075498 1044003157 /nfs/dbraw/zinc/00/31/57/1044003157.db2.gz ZMBYRNJJCWZUCW-UHFFFAOYSA-N 1 0 328.456 4.061 20 30 EIEDRO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N=Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000733902659 1044024318 /nfs/dbraw/zinc/02/43/18/1044024318.db2.gz YDFHCOBCWOSNAN-KDOFPFPSSA-N 1 0 330.432 4.037 20 30 EIEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(CC#N)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000521873811 1044040553 /nfs/dbraw/zinc/04/05/53/1044040553.db2.gz PAFNIFNYVAYLQH-IBGZPJMESA-N 1 0 335.407 4.173 20 30 EIEDRO N#Cc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1Cl ZINC000521919203 1044062237 /nfs/dbraw/zinc/06/22/37/1044062237.db2.gz QDVPKHVKWAHXQG-IBGZPJMESA-N 1 0 325.843 4.461 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]CC3(Cc4ccccc4)CC3)CC2)cc1 ZINC000521921708 1044062667 /nfs/dbraw/zinc/06/26/67/1044062667.db2.gz NSAGMUCBHCRKQJ-UHFFFAOYSA-N 1 0 345.490 4.140 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000521996712 1044145205 /nfs/dbraw/zinc/14/52/05/1044145205.db2.gz ZRQZRCDZKHRAFJ-SUMWQHHRSA-N 1 0 346.272 4.323 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)cc1 ZINC000733322708 1044182833 /nfs/dbraw/zinc/18/28/33/1044182833.db2.gz SGFRELQAYGTWJT-HNNXBMFYSA-N 1 0 335.403 4.304 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000245836810 1044193776 /nfs/dbraw/zinc/19/37/76/1044193776.db2.gz CTGGQYAQDQFOHF-BKTGTZMESA-N 1 0 326.827 4.392 20 30 EIEDRO C=CC[N@@H+](CCSc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000195729783 1044225249 /nfs/dbraw/zinc/22/52/49/1044225249.db2.gz JVHQJCBITUSQGB-UHFFFAOYSA-N 1 0 326.440 4.478 20 30 EIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1cc2cccc(F)c2o1 ZINC000499706606 1044284501 /nfs/dbraw/zinc/28/45/01/1044284501.db2.gz FICXVDPYOBZJLX-CQSZACIVSA-N 1 0 330.403 4.323 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1sc(C(C)C)nc1C)C(C)C ZINC000522170392 1044295238 /nfs/dbraw/zinc/29/52/38/1044295238.db2.gz MUTSNXDWVZJIJV-MRXNPFEDSA-N 1 0 349.544 4.003 20 30 EIEDRO C[C@@H]1CCC[C@H]([NH+]2CCC(N=Nc3nc4ccccc4[nH]3)CC2)C1 ZINC000733745514 1044297480 /nfs/dbraw/zinc/29/74/80/1044297480.db2.gz NTBFEEKXKIHPFT-ZBFHGGJFSA-N 1 0 325.460 4.005 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(C#N)c1)c1cccc(Cl)c1Cl ZINC001168758352 1044365750 /nfs/dbraw/zinc/36/57/50/1044365750.db2.gz QDBGEBHMCVIUIU-BZNIZROVSA-N 1 0 335.234 4.249 20 30 EIEDRO C=CC[C@H](CC)NC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000466397951 1044385901 /nfs/dbraw/zinc/38/59/01/1044385901.db2.gz HBXVAWMNTDAONK-IBGZPJMESA-N 1 0 337.552 4.131 20 30 EIEDRO COc1cc(C[NH2+]C(c2ccccc2)c2ccccc2)ccc1C#N ZINC000327749491 1044392005 /nfs/dbraw/zinc/39/20/05/1044392005.db2.gz FVJFQIWUIOUZII-UHFFFAOYSA-N 1 0 328.415 4.446 20 30 EIEDRO Cc1cc(C[NH2+]CCc2cccc(C#N)c2)c(OC(F)F)cc1C ZINC000466420525 1044440523 /nfs/dbraw/zinc/44/05/23/1044440523.db2.gz BXTGIHLMJYWGAU-UHFFFAOYSA-N 1 0 330.378 4.109 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nc2ccccc2s1 ZINC000734163129 1044509210 /nfs/dbraw/zinc/50/92/10/1044509210.db2.gz AXFPBUVHTRACKY-UONOGXRCSA-N 1 0 337.448 4.438 20 30 EIEDRO C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)C1CCCCC1 ZINC000542531283 1044574746 /nfs/dbraw/zinc/57/47/46/1044574746.db2.gz LKZQAXKJHVNFGB-HUUCEWRRSA-N 1 0 338.455 4.303 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)C2CCCCC2)c(C#N)c1C ZINC000542530719 1044580201 /nfs/dbraw/zinc/58/02/01/1044580201.db2.gz HFONSWDMVLFNMR-YUELXQCFSA-N 1 0 345.487 4.290 20 30 EIEDRO CCCCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000734510901 1044592660 /nfs/dbraw/zinc/59/26/60/1044592660.db2.gz UYROINMDIUBTBH-CRAIPNDOSA-N 1 0 329.488 4.470 20 30 EIEDRO C#CC[C@@H]([NH2+]CCOc1ccccc1Br)c1ccccc1 ZINC001168724480 1044602800 /nfs/dbraw/zinc/60/28/00/1044602800.db2.gz WZVVBZIRVHQNSJ-QGZVFWFLSA-N 1 0 344.252 4.182 20 30 EIEDRO Cc1noc(C(C)C)c1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329920012 1044610703 /nfs/dbraw/zinc/61/07/03/1044610703.db2.gz GUBBDDHUYFKSSG-UHFFFAOYSA-N 1 0 333.476 4.208 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000495043128 1044612449 /nfs/dbraw/zinc/61/24/49/1044612449.db2.gz DFXGDEXOHBUBET-AUUYWEPGSA-N 1 0 333.834 4.343 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000495066548 1044633319 /nfs/dbraw/zinc/63/33/19/1044633319.db2.gz MAIIFCXQMSVYOY-PBHICJAKSA-N 1 0 335.900 4.460 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000495071294 1044639099 /nfs/dbraw/zinc/63/90/99/1044639099.db2.gz XLDQKPJHRQUTTC-KXBFYZLASA-N 1 0 347.405 4.152 20 30 EIEDRO COc1ccc(O)c(/C=N/C2CC[NH+]([C@H](C)c3ccccc3)CC2)c1 ZINC000734750115 1044661727 /nfs/dbraw/zinc/66/17/27/1044661727.db2.gz WFEPXXCQYNHWOF-QFNCUCFLSA-N 1 0 338.451 4.045 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2cccc(O)c2)ccc1OC ZINC000105461407 1044672447 /nfs/dbraw/zinc/67/24/47/1044672447.db2.gz FUMUVMJKQLGTFQ-HNNXBMFYSA-N 1 0 327.424 4.207 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C(C)C)c(Cl)c2)CC1 ZINC000466995408 1044673346 /nfs/dbraw/zinc/67/33/46/1044673346.db2.gz WVIBRYMNKBSNDJ-UHFFFAOYSA-N 1 0 334.891 4.234 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@]2(C)CCCc3ccccc32)cc1 ZINC000734844110 1044697660 /nfs/dbraw/zinc/69/76/60/1044697660.db2.gz UVGDFPKJAYCBSS-JOCHJYFZSA-N 1 0 333.479 4.378 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735309887 1044797435 /nfs/dbraw/zinc/79/74/35/1044797435.db2.gz MUWAEZNKLYLUIV-UHFFFAOYSA-N 1 0 340.854 4.473 20 30 EIEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000895559607 1044809758 /nfs/dbraw/zinc/80/97/58/1044809758.db2.gz DHKLYKTVZKQZLT-UHFFFAOYSA-N 1 0 339.277 4.099 20 30 EIEDRO CCOc1ccc([C@H](C)NCc2cccc(F)c2C#N)cc1OCC ZINC000428294217 1044877979 /nfs/dbraw/zinc/87/79/79/1044877979.db2.gz DYYGEDVCAPYSCF-AWEZNQCLSA-N 1 0 342.414 4.346 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000922677668 1044883661 /nfs/dbraw/zinc/88/36/61/1044883661.db2.gz PXKFHVYHJFOPTK-JKSUJKDBSA-N 1 0 340.389 4.077 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000922677665 1044883807 /nfs/dbraw/zinc/88/38/07/1044883807.db2.gz PXKFHVYHJFOPTK-HZPDHXFCSA-N 1 0 340.389 4.077 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800111 1044893931 /nfs/dbraw/zinc/89/39/31/1044893931.db2.gz ATYUHAFVIOMWJM-NRFANRHFSA-N 1 0 340.467 4.206 20 30 EIEDRO COC[C@@H](c1ccc(Cl)cc1)N(C)Cc1cccc(F)c1C#N ZINC000428962589 1044907342 /nfs/dbraw/zinc/90/73/42/1044907342.db2.gz KOSQBMVNCQNENY-SFHVURJKSA-N 1 0 332.806 4.170 20 30 EIEDRO CCOc1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)ccc1OC(F)F ZINC000922760881 1044931476 /nfs/dbraw/zinc/93/14/76/1044931476.db2.gz DMAHHPQLDOEGOB-UHFFFAOYSA-N 1 0 346.377 4.157 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000657891355 1044996138 /nfs/dbraw/zinc/99/61/38/1044996138.db2.gz WVEOIXHAYMDXCD-CTNGQTDRSA-N 1 0 340.511 4.263 20 30 EIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1ccc(C#N)s1 ZINC000125426054 1044998601 /nfs/dbraw/zinc/99/86/01/1044998601.db2.gz JTHGJAAKBSEBJG-UHFFFAOYSA-N 1 0 343.521 4.089 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000895951701 1045012098 /nfs/dbraw/zinc/01/20/98/1045012098.db2.gz ABAZIEMJLZOOFR-HDJSIYSDSA-N 1 0 334.485 4.377 20 30 EIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000474479322 1045019856 /nfs/dbraw/zinc/01/98/56/1045019856.db2.gz NWTSXJNSNUJNDQ-PMPSAXMXSA-N 1 0 338.451 4.418 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1Cl ZINC000922880156 1045020463 /nfs/dbraw/zinc/02/04/63/1045020463.db2.gz GMWLXRIJAFCWSD-KRWDZBQOSA-N 1 0 328.843 4.467 20 30 EIEDRO C#CCCC[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000766234609 1045041579 /nfs/dbraw/zinc/04/15/79/1045041579.db2.gz YVXYQRHUHQHSNG-NSHDSACASA-N 1 0 346.780 4.079 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000509423125 1045145734 /nfs/dbraw/zinc/14/57/34/1045145734.db2.gz DUURHHGLTJPQHZ-SFHVURJKSA-N 1 0 327.399 4.176 20 30 EIEDRO C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 ZINC000161735697 1045160758 /nfs/dbraw/zinc/16/07/58/1045160758.db2.gz CNEJZGGMOWIYNP-KKSFZXQISA-N 1 0 346.478 4.150 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000542559643 1045170168 /nfs/dbraw/zinc/17/01/68/1045170168.db2.gz VJENGVMZIJSYNH-OLZOCXBDSA-N 1 0 326.893 4.031 20 30 EIEDRO N#Cc1ccccc1C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000027236804 1045171715 /nfs/dbraw/zinc/17/17/15/1045171715.db2.gz NGLSLWVNCHZIFM-UHFFFAOYSA-N 1 0 334.419 4.232 20 30 EIEDRO C=CCCCCC[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000739929621 1045175845 /nfs/dbraw/zinc/17/58/45/1045175845.db2.gz FPNVYODYZVKBCJ-MRXNPFEDSA-N 1 0 326.278 4.161 20 30 EIEDRO C=CC[C@H]([NH2+][C@H](C)c1ccc(OCCOC)cc1)c1ccncc1 ZINC000766018216 1045193128 /nfs/dbraw/zinc/19/31/28/1045193128.db2.gz GPBSMTFYHYYKQE-UZLBHIALSA-N 1 0 326.440 4.075 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+](CCCC(C)(C)C#N)C2)C1 ZINC000495588359 1045222439 /nfs/dbraw/zinc/22/24/39/1045222439.db2.gz LZXHISNPUZCODR-FQEVSTJZSA-N 1 0 349.519 4.039 20 30 EIEDRO CCOc1ccc(O)c(/C=N\Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000915270827 1045227733 /nfs/dbraw/zinc/22/77/33/1045227733.db2.gz CBPCYHCMJHUQCF-HMAPJEAMSA-N 1 0 340.467 4.250 20 30 EIEDRO C=CC[C@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccncc1 ZINC000766021608 1045228025 /nfs/dbraw/zinc/22/80/25/1045228025.db2.gz UTEAPDWBEPVFLE-OZWAEMERSA-N 1 0 347.462 4.121 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000740873674 1045233768 /nfs/dbraw/zinc/23/37/68/1045233768.db2.gz UQPYJBBHGNFPCV-UHFFFAOYSA-N 1 0 348.446 4.043 20 30 EIEDRO CCCCCCCC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000740874386 1045235230 /nfs/dbraw/zinc/23/52/30/1045235230.db2.gz HFQIEIXSBZLDMS-INIZCTEOSA-N 1 0 325.518 4.443 20 30 EIEDRO C[C@H](C#N)C[N@H+](CCCCOc1ccccc1C(F)(F)F)C1CC1 ZINC000611091452 1045252230 /nfs/dbraw/zinc/25/22/30/1045252230.db2.gz CUINNFSJMZAKSX-CQSZACIVSA-N 1 0 340.389 4.488 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000762477595 1045254865 /nfs/dbraw/zinc/25/48/65/1045254865.db2.gz VMPRVQGIVMTPBG-SFTDATJTSA-N 1 0 335.495 4.342 20 30 EIEDRO CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C#N)CCC1 ZINC001273379798 1045263113 /nfs/dbraw/zinc/26/31/13/1045263113.db2.gz YAQDBLNSYYZKPE-MVCQKVDPSA-N 1 0 345.531 4.008 20 30 EIEDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1Br ZINC000611243615 1045266995 /nfs/dbraw/zinc/26/69/95/1045266995.db2.gz KSSJKEMBWXLGID-CYBMUJFWSA-N 1 0 329.241 4.480 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256332 1045267148 /nfs/dbraw/zinc/26/71/48/1045267148.db2.gz ULXAONYXSWLXCY-INIZCTEOSA-N 1 0 347.462 4.034 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3nccc4ccccc43)CC2)c1 ZINC000611261445 1045268584 /nfs/dbraw/zinc/26/85/84/1045268584.db2.gz JGXAPIBYDQXSCF-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO C[N@@H+](Cc1cccc(C#N)c1F)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611371290 1045290026 /nfs/dbraw/zinc/29/00/26/1045290026.db2.gz JEUCGCKNZYSTIX-TZIWHRDSSA-N 1 0 338.426 4.297 20 30 EIEDRO N#Cc1cc(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)ccn1 ZINC000611385413 1045293084 /nfs/dbraw/zinc/29/30/84/1045293084.db2.gz KFTHBXJMEQVNQZ-OAQYLSRUSA-N 1 0 349.384 4.305 20 30 EIEDRO CC(C)C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000611388300 1045295283 /nfs/dbraw/zinc/29/52/83/1045295283.db2.gz NKMSZJNYTVVSED-DYESRHJHSA-N 1 0 349.478 4.112 20 30 EIEDRO C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000611387153 1045295404 /nfs/dbraw/zinc/29/54/04/1045295404.db2.gz FTYNJWXRKXTDCG-KRWDZBQOSA-N 1 0 349.478 4.036 20 30 EIEDRO CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000611388051 1045295622 /nfs/dbraw/zinc/29/56/22/1045295622.db2.gz CBSLWQOSQPOOIM-HOTGVXAUSA-N 1 0 335.451 4.361 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc2ccccc21)c1cccc(C#N)c1 ZINC000611387247 1045295902 /nfs/dbraw/zinc/29/59/02/1045295902.db2.gz INQLDBUQTCUSNX-OAHLLOKOSA-N 1 0 329.403 4.001 20 30 EIEDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611394129 1045299170 /nfs/dbraw/zinc/29/91/70/1045299170.db2.gz KUOUPFLGESKZTM-OALUTQOASA-N 1 0 334.419 4.058 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000611393288 1045299292 /nfs/dbraw/zinc/29/92/92/1045299292.db2.gz BANLPHPAJYKRJA-BVSLBCMMSA-N 1 0 332.447 4.303 20 30 EIEDRO COc1ccccc1O[C@H](C)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611393040 1045299426 /nfs/dbraw/zinc/29/94/26/1045299426.db2.gz DYQJSGZLRWNYFP-BEFAXECRSA-N 1 0 336.435 4.001 20 30 EIEDRO CC(C)(C)Oc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611395278 1045300170 /nfs/dbraw/zinc/30/01/70/1045300170.db2.gz ZVYHOBVMKXVNDR-LJQANCHMSA-N 1 0 335.451 4.298 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCOCCc1ccccc1 ZINC000611391148 1045302524 /nfs/dbraw/zinc/30/25/24/1045302524.db2.gz WCKWXXBSRZXVKL-JOCHJYFZSA-N 1 0 334.463 4.175 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccc(OC(F)F)cc1 ZINC000611390175 1045302671 /nfs/dbraw/zinc/30/26/71/1045302671.db2.gz HTRIVDNOBYGERC-LJQANCHMSA-N 1 0 342.389 4.369 20 30 EIEDRO CC(C)C([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C ZINC000611434181 1045304825 /nfs/dbraw/zinc/30/48/25/1045304825.db2.gz VDRSDZIIFVAAAD-UHFFFAOYSA-N 1 0 347.528 4.097 20 30 EIEDRO CC1(C)C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000611476002 1045315828 /nfs/dbraw/zinc/31/58/28/1045315828.db2.gz SSSYQVPWTNTSJT-NRFANRHFSA-N 1 0 345.490 4.190 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(C#N)nc3ccccc32)C1 ZINC000611509685 1045318713 /nfs/dbraw/zinc/31/87/13/1045318713.db2.gz AJZIBMFQCNNYAL-MSOLQXFVSA-N 1 0 348.494 4.197 20 30 EIEDRO CCN(CC)[C@H](C[NH2+]Cc1cccc(C#N)c1)c1ccccc1Cl ZINC000611518360 1045321424 /nfs/dbraw/zinc/32/14/24/1045321424.db2.gz ZBSOZIFSDXOCPF-HXUWFJFHSA-N 1 0 341.886 4.384 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]CCc2ccc(Cl)cc2)c1 ZINC000237737474 1045394529 /nfs/dbraw/zinc/39/45/29/1045394529.db2.gz VHRYDOJSXLBXDW-UHFFFAOYSA-N 1 0 328.843 4.355 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000153684426 1045447305 /nfs/dbraw/zinc/44/73/05/1045447305.db2.gz HHALCFCDWPMKLQ-SPEDKVCISA-N 1 0 333.479 4.119 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C)n(C(C)C)c1C)C(C)C ZINC000496013040 1045458658 /nfs/dbraw/zinc/45/86/58/1045458658.db2.gz GPSNPTKVEIRCMC-FQEVSTJZSA-N 1 0 345.531 4.114 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sccc1C(C)C)C(C)C ZINC000496026270 1045460616 /nfs/dbraw/zinc/46/06/16/1045460616.db2.gz CCEGWBUIDYQFEN-KRWDZBQOSA-N 1 0 334.529 4.300 20 30 EIEDRO CCSCCC=[NH+]n1cnnc1SCc1ccc(Cl)cc1 ZINC000781121788 1045487059 /nfs/dbraw/zinc/48/70/59/1045487059.db2.gz MJBAHKZRHUUPLU-UHFFFAOYSA-N 1 0 340.905 4.201 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]CC(C(C)C)C(C)C)ccc1OC ZINC000790544619 1045536875 /nfs/dbraw/zinc/53/68/75/1045536875.db2.gz PLODODPUKSUNSU-KRWDZBQOSA-N 1 0 332.488 4.394 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1Nc1cc(OC)c(OC)cc1C#N ZINC001211994218 1045559590 /nfs/dbraw/zinc/55/95/90/1045559590.db2.gz NRGAFUSOXNGQLL-UHFFFAOYSA-N 1 0 339.439 4.161 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000455381820 1045587187 /nfs/dbraw/zinc/58/71/87/1045587187.db2.gz KCUOOJVWNGMGCX-KRWDZBQOSA-N 1 0 341.499 4.143 20 30 EIEDRO Cc1cc(C[NH2+]C[C@@H](O)c2ccc(-c3ccccc3)cc2)ccc1C#N ZINC000767682846 1045609977 /nfs/dbraw/zinc/60/99/77/1045609977.db2.gz FDDDTRRIYFBHSG-HSZRJFAPSA-N 1 0 342.442 4.357 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCC(C)(C)C2)ccc1OC ZINC000767916711 1045672284 /nfs/dbraw/zinc/67/22/84/1045672284.db2.gz KPXBHQKZZBBRAM-IAGOWNOFSA-N 1 0 330.472 4.435 20 30 EIEDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C#N)cc1 ZINC000768094021 1045709506 /nfs/dbraw/zinc/70/95/06/1045709506.db2.gz RNUATZLCDPQAKU-INIZCTEOSA-N 1 0 341.436 4.127 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000768238550 1045750927 /nfs/dbraw/zinc/75/09/27/1045750927.db2.gz CIEXJHNJVLHTQX-WQANXHIZSA-N 1 0 347.886 4.426 20 30 EIEDRO Cc1c(C[N@@H+](C)Cc2ccc(C#N)cc2)sc2nc(C)nc(C)c12 ZINC000768262254 1045773862 /nfs/dbraw/zinc/77/38/62/1045773862.db2.gz IIEPJRFQNDMNEZ-UHFFFAOYSA-N 1 0 336.464 4.120 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000768363689 1045799271 /nfs/dbraw/zinc/79/92/71/1045799271.db2.gz BRKHFMLIVIALJV-NRFANRHFSA-N 1 0 333.479 4.101 20 30 EIEDRO CC(=[NH+][N-]c1ccnc(F)c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000781129831 1045815786 /nfs/dbraw/zinc/81/57/86/1045815786.db2.gz LXWYZRWXRFUHSB-UHFFFAOYSA-N 1 0 330.382 4.186 20 30 EIEDRO CC(CC[NH+](C)C)N=Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000915942763 1045845577 /nfs/dbraw/zinc/84/55/77/1045845577.db2.gz QQHLBWKQNRIPOC-UHFFFAOYSA-N 1 0 339.468 4.098 20 30 EIEDRO Clc1ccc(-c2ccc(C=NNCC[NH+]3CCCCC3)o2)cc1 ZINC000915974168 1045847688 /nfs/dbraw/zinc/84/76/88/1045847688.db2.gz PXKZNZZUZIFNEZ-UHFFFAOYSA-N 1 0 331.847 4.009 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C/N=C/c2cccc(O)c2O)cc1 ZINC000915978863 1045849870 /nfs/dbraw/zinc/84/98/70/1045849870.db2.gz BGZOKVIQCVPOBS-SITPEIFSSA-N 1 0 338.451 4.091 20 30 EIEDRO C#CCCOc1ccc(C[NH+]2CCC(OCCC(C)C)CC2)cc1 ZINC000768904193 1045856887 /nfs/dbraw/zinc/85/68/87/1045856887.db2.gz UMFWFLUDEGBAQZ-UHFFFAOYSA-N 1 0 329.484 4.116 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C12CCCCC2 ZINC001169997953 1045869083 /nfs/dbraw/zinc/86/90/83/1045869083.db2.gz CHMOAIUQIZHORX-RTBURBONSA-N 1 0 331.887 4.409 20 30 EIEDRO CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248908982 1045887772 /nfs/dbraw/zinc/88/77/72/1045887772.db2.gz VCPOSFVPXKZVOR-GKDNMFGBSA-N 1 0 349.881 4.144 20 30 EIEDRO C#CCOc1ccccc1C[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000769213662 1045896059 /nfs/dbraw/zinc/89/60/59/1045896059.db2.gz VVUQLIVTTYWIEE-GGAORHGYSA-N 1 0 349.474 4.298 20 30 EIEDRO C#CCCOc1ccc(C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000769316357 1045920574 /nfs/dbraw/zinc/92/05/74/1045920574.db2.gz OEMGTPXDONENLI-JOCHJYFZSA-N 1 0 335.447 4.052 20 30 EIEDRO Fc1ccc(F)c(CNN=Cc2c(Cl)cccc2N2CCCC2)c1 ZINC000763357037 1045923209 /nfs/dbraw/zinc/92/32/09/1045923209.db2.gz WIBMFQUHNCOLRN-UHFFFAOYSA-N 1 0 349.812 4.342 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000769339575 1045929166 /nfs/dbraw/zinc/92/91/66/1045929166.db2.gz SJCGKJMCNQSOSQ-LJQANCHMSA-N 1 0 337.442 4.165 20 30 EIEDRO CC[N@H+]1CC=C(c2cnc(NCc3ccc(C#N)s3)c(C)c2)CC1 ZINC001170199683 1045939002 /nfs/dbraw/zinc/93/90/02/1045939002.db2.gz VUYXEGBUJPGATR-UHFFFAOYSA-N 1 0 338.480 4.044 20 30 EIEDRO CCCCCCCCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000916194242 1045948083 /nfs/dbraw/zinc/94/80/83/1045948083.db2.gz OHUHLRLWODICMT-UHFFFAOYSA-N 1 0 337.552 4.254 20 30 EIEDRO CCS[C@H]1CCCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769404226 1045951137 /nfs/dbraw/zinc/95/11/37/1045951137.db2.gz POUJHQOGSGKBFZ-IBGZPJMESA-N 1 0 331.529 4.144 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000067690904 1045984171 /nfs/dbraw/zinc/98/41/71/1045984171.db2.gz NPBVHNLFJLHSIB-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769497479 1045997143 /nfs/dbraw/zinc/99/71/43/1045997143.db2.gz FMMRQSCNAFZCGA-AVRDEDQJSA-N 1 0 333.479 4.414 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC001170326795 1045997917 /nfs/dbraw/zinc/99/79/17/1045997917.db2.gz NLOPRGGXMWACDN-HNAYVOBHSA-N 1 0 340.423 4.441 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2(c3ccc(Br)cc3)CCC2)c1 ZINC000067712360 1046007310 /nfs/dbraw/zinc/00/73/10/1046007310.db2.gz HDFHBISCOLUIMF-UHFFFAOYSA-N 1 0 341.252 4.490 20 30 EIEDRO C=CC[C@H]([NH2+]C[C@@H](C)Cc1ccc(OC)c(F)c1)c1ccncc1 ZINC000769518653 1046007970 /nfs/dbraw/zinc/00/79/70/1046007970.db2.gz IJFMFSIXKFWQSC-KXBFYZLASA-N 1 0 328.431 4.315 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1cnc2ccccn21 ZINC001170359991 1046014323 /nfs/dbraw/zinc/01/43/23/1046014323.db2.gz LDIKEDWHLZZZMW-BWDFOLQRSA-N 1 0 344.462 4.389 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC001170365281 1046016871 /nfs/dbraw/zinc/01/68/71/1046016871.db2.gz UFMQYVLHAONDGK-UHFFFAOYSA-N 1 0 325.843 4.229 20 30 EIEDRO COC(C)(C)[C@H]1CCC[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389588 1046025148 /nfs/dbraw/zinc/02/51/48/1046025148.db2.gz VHELDALHAQRNMU-OBXNSHGQSA-N 1 0 326.484 4.280 20 30 EIEDRO COC(C)(C)[C@@H]1CCC[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389590 1046026347 /nfs/dbraw/zinc/02/63/47/1046026347.db2.gz VHELDALHAQRNMU-SCCNAQOGSA-N 1 0 326.484 4.280 20 30 EIEDRO CC(C)[C@H]1[NH2+]CCc2ncn(C3CCC(C#N)(c4ccccc4)CC3)c21 ZINC001170396359 1046029694 /nfs/dbraw/zinc/02/96/94/1046029694.db2.gz YWAWWPOVHBATGL-AATLZSDMSA-N 1 0 348.494 4.303 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001170377292 1046034408 /nfs/dbraw/zinc/03/44/08/1046034408.db2.gz YVCHWADGTIQFEO-UHFFFAOYSA-N 1 0 345.490 4.213 20 30 EIEDRO COc1cccc2c1C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170378454 1046034725 /nfs/dbraw/zinc/03/47/25/1046034725.db2.gz BRJPYGGCGUYOSH-UHFFFAOYSA-N 1 0 346.474 4.457 20 30 EIEDRO CN(C[C@@H]1CCC[N@@H+]1CCCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000769728031 1046056056 /nfs/dbraw/zinc/05/60/56/1046056056.db2.gz IRBNDHLVFYRTLZ-INIZCTEOSA-N 1 0 337.508 4.038 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)ccn1 ZINC000611351359 1046068136 /nfs/dbraw/zinc/06/81/36/1046068136.db2.gz GADOOAFUPMHVQN-UHFFFAOYSA-N 1 0 345.368 4.352 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000154051530 1046085037 /nfs/dbraw/zinc/08/50/37/1046085037.db2.gz KUEGEMSNQDFVQV-ROUUACIJSA-N 1 0 345.446 4.296 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000792900635 1046097652 /nfs/dbraw/zinc/09/76/52/1046097652.db2.gz TYYFCXMMWWWNOG-CYBMUJFWSA-N 1 0 347.384 4.494 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000792900654 1046098134 /nfs/dbraw/zinc/09/81/34/1046098134.db2.gz TYYFCXMMWWWNOG-ZDUSSCGKSA-N 1 0 347.384 4.494 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000769988849 1046123780 /nfs/dbraw/zinc/12/37/80/1046123780.db2.gz OFRSYCKOOMVOLX-DYVFJYSZSA-N 1 0 337.872 4.264 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000763398965 1046127099 /nfs/dbraw/zinc/12/70/99/1046127099.db2.gz XOYRVFRHIVBMBN-QFIPXVFZSA-N 1 0 334.463 4.427 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)s1 ZINC000770289759 1046170291 /nfs/dbraw/zinc/17/02/91/1046170291.db2.gz CHLSNTLVPFCWSD-YLJYHZDGSA-N 1 0 340.492 4.488 20 30 EIEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000770353425 1046190644 /nfs/dbraw/zinc/19/06/44/1046190644.db2.gz SHHMRCKNVAYSPF-ATZDWAIDSA-N 1 0 330.472 4.003 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)c1cccc(C#N)c1 ZINC000321969409 1046196271 /nfs/dbraw/zinc/19/62/71/1046196271.db2.gz YVIMSDNSJDGJPC-ZTFGCOKTSA-N 1 0 343.471 4.045 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000793342541 1046202282 /nfs/dbraw/zinc/20/22/82/1046202282.db2.gz FSEZFEBKCVLTSP-AWEZNQCLSA-N 1 0 343.858 4.305 20 30 EIEDRO C=CCOc1ccccc1CN[C@@H](C)c1ccc(OC)cc1OC ZINC000124324407 1046231013 /nfs/dbraw/zinc/23/10/13/1046231013.db2.gz WHSXFSDDHVWTED-HNNXBMFYSA-N 1 0 327.424 4.119 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(c2cc(CC)ncn2)CC1 ZINC000793534946 1046273861 /nfs/dbraw/zinc/27/38/61/1046273861.db2.gz RJSFABCBCOFIKT-KRWDZBQOSA-N 1 0 330.520 4.122 20 30 EIEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000793536007 1046273892 /nfs/dbraw/zinc/27/38/92/1046273892.db2.gz UVOAVPVGMVRMNL-INIZCTEOSA-N 1 0 330.520 4.177 20 30 EIEDRO CC(C)C[N@@H+](Cc1cccc(F)c1C#N)C[C@@H](O)c1ccc(F)cc1 ZINC000794384384 1046410142 /nfs/dbraw/zinc/41/01/42/1046410142.db2.gz FZDZEPLNHDCKFS-HXUWFJFHSA-N 1 0 344.405 4.028 20 30 EIEDRO C[N@H+](CCc1ccccc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000126447649 1046485271 /nfs/dbraw/zinc/48/52/71/1046485271.db2.gz HNOOPVIMUGZDBC-UHFFFAOYSA-N 1 0 344.462 4.138 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C[C@H](O)c1c(F)cccc1F ZINC000916986318 1046523623 /nfs/dbraw/zinc/52/36/23/1046523623.db2.gz CBGQRBHUOBUARZ-AWEZNQCLSA-N 1 0 343.826 4.401 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2nc(Cl)c(C#N)s2)CC1 ZINC000804465119 1046534040 /nfs/dbraw/zinc/53/40/40/1046534040.db2.gz DNZBLAPBSSGNMP-LBPRGKRZSA-N 1 0 346.887 4.306 20 30 EIEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000127161238 1046621900 /nfs/dbraw/zinc/62/19/00/1046621900.db2.gz NJALFRJSXFJEAN-KRWDZBQOSA-N 1 0 348.450 4.025 20 30 EIEDRO C[C@]1(CCc2ccccc2)CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000536697118 1046694872 /nfs/dbraw/zinc/69/48/72/1046694872.db2.gz JYRLHYMOEULTEY-QFIPXVFZSA-N 1 0 344.462 4.051 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459520870 1046743218 /nfs/dbraw/zinc/74/32/18/1046743218.db2.gz LJQDDWLNORGNBK-UHFFFAOYSA-N 1 0 326.484 4.270 20 30 EIEDRO N#Cc1cnn2cc(C[NH2+][C@H](c3ccccc3)C3CCCCC3)cnc12 ZINC000917139729 1046772952 /nfs/dbraw/zinc/77/29/52/1046772952.db2.gz DFHYPLIFZUWXIG-HXUWFJFHSA-N 1 0 345.450 4.012 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]1Sc1ccccc1 ZINC000459557616 1046775645 /nfs/dbraw/zinc/77/56/45/1046775645.db2.gz HMFUTDLXWDCRKO-RCCFBDPRSA-N 1 0 332.513 4.244 20 30 EIEDRO CC[C@H](CC#N)[NH2+]C1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001170468117 1046801629 /nfs/dbraw/zinc/80/16/29/1046801629.db2.gz HAXLSVRZEYXLMZ-DJIMGWMZSA-N 1 0 337.508 4.225 20 30 EIEDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC(C)(C)CC#N ZINC000459661222 1046845844 /nfs/dbraw/zinc/84/58/44/1046845844.db2.gz AUKNDIZRNHSEOP-UHFFFAOYSA-N 1 0 330.863 4.172 20 30 EIEDRO Cc1nc(COc2ccc(C[NH2+]CC(C)(C)CC#N)cc2)cs1 ZINC000459688044 1046858343 /nfs/dbraw/zinc/85/83/43/1046858343.db2.gz HOAXPSFFQKRHSZ-UHFFFAOYSA-N 1 0 329.469 4.060 20 30 EIEDRO COc1ccc2cc(C[N@H+](C)CCOc3ccccc3C#N)ccc2c1 ZINC000497590762 1046875116 /nfs/dbraw/zinc/87/51/16/1046875116.db2.gz NIQHGVVPOMVHTO-UHFFFAOYSA-N 1 0 346.430 4.231 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000128465553 1046879834 /nfs/dbraw/zinc/87/98/34/1046879834.db2.gz UALCJHOEIJGPNI-MSOLQXFVSA-N 1 0 347.384 4.027 20 30 EIEDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCOc2ccccc2C#N)C2CC2)o1 ZINC000497613099 1046891576 /nfs/dbraw/zinc/89/15/76/1046891576.db2.gz VXLJHVZBLVQEAQ-KXBFYZLASA-N 1 0 336.435 4.318 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cnc2cc(F)c(F)cc21 ZINC000917458058 1046898224 /nfs/dbraw/zinc/89/82/24/1046898224.db2.gz QOINTGJADRYFHA-UHFFFAOYSA-N 1 0 340.377 4.056 20 30 EIEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-c1ccc(Cl)cc1 ZINC000537114753 1046964901 /nfs/dbraw/zinc/96/49/01/1046964901.db2.gz GSFDLTJVANEJMA-CABCVRRESA-N 1 0 342.870 4.348 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000128585984 1046974566 /nfs/dbraw/zinc/97/45/66/1046974566.db2.gz SYSGUXBKCIQYDN-PKOBYXMFSA-N 1 0 343.446 4.070 20 30 EIEDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000746665502 1046976376 /nfs/dbraw/zinc/97/63/76/1046976376.db2.gz CKCNJFPZQXYMCE-CVEARBPZSA-N 1 0 337.508 4.084 20 30 EIEDRO C=C(C)CN(CC)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497698794 1046997959 /nfs/dbraw/zinc/99/79/59/1046997959.db2.gz FOMQITGRUGCNRO-UHFFFAOYSA-N 1 0 343.515 4.170 20 30 EIEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)(C)C ZINC000537290834 1047072199 /nfs/dbraw/zinc/07/21/99/1047072199.db2.gz LRWDCKRIOWKZOO-INIZCTEOSA-N 1 0 335.879 4.001 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000537303945 1047084928 /nfs/dbraw/zinc/08/49/28/1047084928.db2.gz KWHIDAVWOFJPAZ-NWDGAFQWSA-N 1 0 338.245 4.031 20 30 EIEDRO Cc1cccc2c1CC[C@@H]2[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537306700 1047091623 /nfs/dbraw/zinc/09/16/23/1047091623.db2.gz MCUIKLUDNWORGW-QHCPKHFHSA-N 1 0 345.490 4.108 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(OCCC(C)C)cc2)cc1C#N ZINC000746740742 1047153111 /nfs/dbraw/zinc/15/31/11/1047153111.db2.gz HLGVPPLSXPPPDV-UHFFFAOYSA-N 1 0 338.451 4.282 20 30 EIEDRO C[C@@H]([NH2+]CCOCc1ccc(Cl)cc1)c1ccc(C#N)c(F)c1 ZINC000537409133 1047202632 /nfs/dbraw/zinc/20/26/32/1047202632.db2.gz ZVZSCPATTSHYAE-CYBMUJFWSA-N 1 0 332.806 4.218 20 30 EIEDRO CC[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)C[C@@H](C)C#N ZINC000747328223 1047254654 /nfs/dbraw/zinc/25/46/54/1047254654.db2.gz ZUZBBIAAHLFGCY-LBPRGKRZSA-N 1 0 347.256 4.289 20 30 EIEDRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000897588684 1047319583 /nfs/dbraw/zinc/31/95/83/1047319583.db2.gz KNCSYMNFHCZIRE-UHFFFAOYSA-N 1 0 336.483 4.332 20 30 EIEDRO C[C@@H](C1CC1)[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000385763486 1047399077 /nfs/dbraw/zinc/39/90/77/1047399077.db2.gz ZRQNLVWBHCTNPV-KRWDZBQOSA-N 1 0 347.462 4.188 20 30 EIEDRO CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1nc(C#N)cs1 ZINC000897628960 1047403904 /nfs/dbraw/zinc/40/39/04/1047403904.db2.gz DMOYYEYDLNIQST-CYBMUJFWSA-N 1 0 339.386 4.144 20 30 EIEDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CCCC1(C#N)CCOCC1 ZINC000282075211 1047410489 /nfs/dbraw/zinc/41/04/89/1047410489.db2.gz TXWXIDYOCONCPA-FQEVSTJZSA-N 1 0 328.500 4.430 20 30 EIEDRO C[NH+](C)[C@@H](C/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000746816229 1047428126 /nfs/dbraw/zinc/42/81/26/1047428126.db2.gz OOZQGHHHTJRPLL-UWSDUSPXSA-N 1 0 337.250 4.421 20 30 EIEDRO C=C[C@H](CC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC000533914548 1047540911 /nfs/dbraw/zinc/54/09/11/1047540911.db2.gz XHPKLNVLOCSVKN-SLFFLAALSA-N 1 0 342.527 4.221 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cnn(CC2CCC2)c1 ZINC000898181425 1047577017 /nfs/dbraw/zinc/57/70/17/1047577017.db2.gz HFJODSRKRHFAIX-INIZCTEOSA-N 1 0 334.467 4.089 20 30 EIEDRO N#Cc1cccc([C@H](O)C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC001168285539 1047605089 /nfs/dbraw/zinc/60/50/89/1047605089.db2.gz UZQHWNYZFKQALX-NZQKXSOJSA-N 1 0 348.490 4.327 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000106039711 1047658401 /nfs/dbraw/zinc/65/84/01/1047658401.db2.gz LPMVHYHUPOEGFX-UHFFFAOYSA-N 1 0 348.490 4.053 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2oc3c(cccc3Cl)c2C)CC1 ZINC000106038568 1047658472 /nfs/dbraw/zinc/65/84/72/1047658472.db2.gz CQPGNWDXQFKAAP-UHFFFAOYSA-N 1 0 346.858 4.165 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000106252980 1047670869 /nfs/dbraw/zinc/67/08/69/1047670869.db2.gz AJNQBEKBQWXINW-UHFFFAOYSA-N 1 0 342.270 4.155 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000108355651 1047797652 /nfs/dbraw/zinc/79/76/52/1047797652.db2.gz HNEZDRROYZCHBK-OAHLLOKOSA-N 1 0 345.512 4.141 20 30 EIEDRO N=C(Nc1ccc(F)c(C[NH+]2CCCC2)c1)c1ccc2ccccc2n1 ZINC001171051141 1047847224 /nfs/dbraw/zinc/84/72/24/1047847224.db2.gz HJTOWLRVJGHWOF-UHFFFAOYSA-N 1 0 348.425 4.007 20 30 EIEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2nccc(Cl)n2)cc1 ZINC001170548750 1047861524 /nfs/dbraw/zinc/86/15/24/1047861524.db2.gz MYPRDVDMMVCZMU-MRXNPFEDSA-N 1 0 328.847 4.065 20 30 EIEDRO CC(=O)c1ccc([C@H](C)Nc2ccc([NH+]=CN(C)C)c(C#N)c2)cc1 ZINC001171055281 1047865991 /nfs/dbraw/zinc/86/59/91/1047865991.db2.gz CUAQIFQPKAKQCZ-KOUDTOEKSA-N 1 0 334.423 4.155 20 30 EIEDRO C[N@@H+]1CCCC[C@H]1c1ccc(N[C@@H]2CCc3c2cccc3C#N)nc1 ZINC001171064816 1047920742 /nfs/dbraw/zinc/92/07/42/1047920742.db2.gz OAKRQPMXLRMEGB-UXHICEINSA-N 1 0 332.451 4.209 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000808480171 1047957507 /nfs/dbraw/zinc/95/75/07/1047957507.db2.gz NJXNEILETUVRCU-UHFFFAOYSA-N 1 0 338.480 4.482 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000824964264 1047994311 /nfs/dbraw/zinc/99/43/11/1047994311.db2.gz PWCSSZFEWSLLGB-INIZCTEOSA-N 1 0 340.298 4.100 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)cc1 ZINC000824969699 1048012751 /nfs/dbraw/zinc/01/27/51/1048012751.db2.gz IGHICZJRCIPWDS-IUODEOHRSA-N 1 0 327.255 4.041 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000825045501 1048023561 /nfs/dbraw/zinc/02/35/61/1048023561.db2.gz FRMJFDKGASVUFQ-BZNIZROVSA-N 1 0 346.352 4.172 20 30 EIEDRO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3c[nH]c4cccc(F)c34)C2)cc1 ZINC001136988766 1048034829 /nfs/dbraw/zinc/03/48/29/1048034829.db2.gz SBLFYYWCDFXFOS-SFHVURJKSA-N 1 0 349.409 4.222 20 30 EIEDRO C#CCCC1(CC[NH2+][C@H]2CCc3cc(Cl)cc(Cl)c3C2)N=N1 ZINC001171073788 1048043543 /nfs/dbraw/zinc/04/35/43/1048043543.db2.gz IDZSRJLJOPCKDL-AWEZNQCLSA-N 1 0 336.266 4.406 20 30 EIEDRO CCCCC[C@H](C)NC(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000919770965 1048058295 /nfs/dbraw/zinc/05/82/95/1048058295.db2.gz YGVQSXWOSUQSGT-IRXDYDNUSA-N 1 0 329.488 4.026 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](COC)c2cccc(Cl)c2)cc1 ZINC000808731830 1048094722 /nfs/dbraw/zinc/09/47/22/1048094722.db2.gz BVKFRLBDVIQGFP-FOIQADDNSA-N 1 0 343.854 4.390 20 30 EIEDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000814656811 1048104637 /nfs/dbraw/zinc/10/46/37/1048104637.db2.gz ABJGXGZAMXFRCD-PMACEKPBSA-N 1 0 326.415 4.192 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1cccc(Br)n1)c1ccccc1 ZINC000814659830 1048107111 /nfs/dbraw/zinc/10/71/11/1048107111.db2.gz QAKMFTGMNJDIIQ-MRXNPFEDSA-N 1 0 344.256 4.369 20 30 EIEDRO C=CCN(Cc1cccs1)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000499052149 1048124553 /nfs/dbraw/zinc/12/45/53/1048124553.db2.gz AFSRRANDABQTSC-HZPDHXFCSA-N 1 0 340.492 4.102 20 30 EIEDRO CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(C[NH+](C)C)cc1 ZINC000814740242 1048155119 /nfs/dbraw/zinc/15/51/19/1048155119.db2.gz JVDNNIQIDMQFLX-UHFFFAOYSA-N 1 0 337.254 4.286 20 30 EIEDRO C#CCCCCCOC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000805912329 1048184149 /nfs/dbraw/zinc/18/41/49/1048184149.db2.gz USFMHFMSWYJVSY-UHFFFAOYSA-N 1 0 327.468 4.026 20 30 EIEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171108413 1048212314 /nfs/dbraw/zinc/21/23/14/1048212314.db2.gz HRKMGIMHAMGCEZ-LJQANCHMSA-N 1 0 349.865 4.398 20 30 EIEDRO COc1ccc(C[NH2+]C2(c3ccccc3Cl)CCC2)cc1C#N ZINC000844349929 1048300570 /nfs/dbraw/zinc/30/05/70/1048300570.db2.gz DQSIVQJENUWEPH-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000815060903 1048314841 /nfs/dbraw/zinc/31/48/41/1048314841.db2.gz FSAZULNJMMFKMH-JYJNAYRXSA-N 1 0 334.895 4.330 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)Cc2ccc(F)cc2)c1O ZINC000919935366 1048316653 /nfs/dbraw/zinc/31/66/53/1048316653.db2.gz DSNKNBKJWQYOJJ-UHFFFAOYSA-N 1 0 329.415 4.291 20 30 EIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CCOCCC#N ZINC000815089483 1048327440 /nfs/dbraw/zinc/32/74/40/1048327440.db2.gz PKLNCVKAVOLUME-CQSZACIVSA-N 1 0 329.469 4.008 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1ccnc(Br)c1)c1ccccc1 ZINC000815123885 1048337536 /nfs/dbraw/zinc/33/75/36/1048337536.db2.gz QVNNNZWPYGNMSR-MRXNPFEDSA-N 1 0 344.256 4.369 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844441421 1048338837 /nfs/dbraw/zinc/33/88/37/1048338837.db2.gz YUOBLRTVKBUBAA-HNNXBMFYSA-N 1 0 329.312 4.178 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844441422 1048340171 /nfs/dbraw/zinc/34/01/71/1048340171.db2.gz YUOBLRTVKBUBAA-OAHLLOKOSA-N 1 0 329.312 4.178 20 30 EIEDRO C=CC[C@H](C)C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001144017687 1048367088 /nfs/dbraw/zinc/36/70/88/1048367088.db2.gz MCVVVBGIKZLHAB-IBGZPJMESA-N 1 0 340.511 4.103 20 30 EIEDRO C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H](CC)CCCCCC)C2 ZINC001170581461 1048375346 /nfs/dbraw/zinc/37/53/46/1048375346.db2.gz LMCMRPKXUAKXAC-RTBURBONSA-N 1 0 330.516 4.230 20 30 EIEDRO C#Cc1ccc(C[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)cc1 ZINC000809608728 1048418967 /nfs/dbraw/zinc/41/89/67/1048418967.db2.gz ROYBTVMHBMLPMC-UHFFFAOYSA-N 1 0 339.866 4.159 20 30 EIEDRO CC#CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000499214949 1048425525 /nfs/dbraw/zinc/42/55/25/1048425525.db2.gz PBKAHRCHNGTYKG-UHFFFAOYSA-N 1 0 345.446 4.051 20 30 EIEDRO C#Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1 ZINC000809601647 1048435940 /nfs/dbraw/zinc/43/59/40/1048435940.db2.gz HZXQWYYYOBJKDA-UHFFFAOYSA-N 1 0 326.237 4.209 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc(Cl)c(Cl)c3)C2)nc1 ZINC001144163249 1048471661 /nfs/dbraw/zinc/47/16/61/1048471661.db2.gz XCTCJFASWONLLN-AWEZNQCLSA-N 1 0 332.234 4.250 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(Cl)cc1C)C(C)C ZINC001144196725 1048487815 /nfs/dbraw/zinc/48/78/15/1048487815.db2.gz AJXSLYLHQJKIEY-SFHVURJKSA-N 1 0 334.891 4.077 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc2ccsc21)C(C)C ZINC001144198059 1048489089 /nfs/dbraw/zinc/48/90/89/1048489089.db2.gz SODMAWGUABSHCX-SFHVURJKSA-N 1 0 342.508 4.330 20 30 EIEDRO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1)C(C)(C)C ZINC000809781408 1048529864 /nfs/dbraw/zinc/52/98/64/1048529864.db2.gz QSQVYBHUTHQLNV-FQEVSTJZSA-N 1 0 344.462 4.072 20 30 EIEDRO C[C@H]([NH2+]CC[C@H]1CCc2ccccc2N1)c1ccc(OCC#N)cc1 ZINC000844922907 1048550147 /nfs/dbraw/zinc/55/01/47/1048550147.db2.gz DAEOFDDVCAVHJF-QFBILLFUSA-N 1 0 335.451 4.057 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCc2cccc(C(F)(F)F)n2)cc1 ZINC000815636921 1048564844 /nfs/dbraw/zinc/56/48/44/1048564844.db2.gz GDVQAPTYMOLJKQ-AWEZNQCLSA-N 1 0 348.368 4.006 20 30 EIEDRO CCOc1ccc(/C=N\[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(O)c1 ZINC000920174423 1048571993 /nfs/dbraw/zinc/57/19/93/1048571993.db2.gz MAZBELMETRWCPA-KDNRWNGDSA-N 1 0 338.451 4.045 20 30 EIEDRO C=CCC(C)(C)c1noc(/C=C/c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000815705608 1048589004 /nfs/dbraw/zinc/58/90/04/1048589004.db2.gz SINZKODWHRRXIU-FMIVXFBMSA-N 1 0 341.455 4.034 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810035147 1048615995 /nfs/dbraw/zinc/61/59/95/1048615995.db2.gz ZYFGILPOYYHGGM-GOSISDBHSA-N 1 0 349.519 4.230 20 30 EIEDRO C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]Cc1nc(C#N)cs1 ZINC000810131338 1048640655 /nfs/dbraw/zinc/64/06/55/1048640655.db2.gz KJYNLKBFTXMJOJ-HNNXBMFYSA-N 1 0 333.460 4.403 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1OC(F)(F)F ZINC001171174534 1048641324 /nfs/dbraw/zinc/64/13/24/1048641324.db2.gz AGAOMPYOXONEOK-ZDUSSCGKSA-N 1 0 334.341 4.178 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1cc(Br)cs1 ZINC001171174882 1048643721 /nfs/dbraw/zinc/64/37/21/1048643721.db2.gz FKMSRPKICWQKCN-NSHDSACASA-N 1 0 335.270 4.103 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1cccc(Br)c1F ZINC001171176757 1048647712 /nfs/dbraw/zinc/64/77/12/1048647712.db2.gz UZJVORNFHSRGKN-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(SC(F)F)cc2)ccc1C#N ZINC000810169619 1048654031 /nfs/dbraw/zinc/65/40/31/1048654031.db2.gz URTFWFHKJMZUQJ-UHFFFAOYSA-N 1 0 334.391 4.171 20 30 EIEDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000810151613 1048657111 /nfs/dbraw/zinc/65/71/11/1048657111.db2.gz DBVNDWRYXSEGRF-UGSOOPFHSA-N 1 0 348.368 4.179 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cncc3ccccc32)c1 ZINC000772920974 1048657367 /nfs/dbraw/zinc/65/73/67/1048657367.db2.gz LKWWWQYTSQVDGM-IBGZPJMESA-N 1 0 331.419 4.206 20 30 EIEDRO Cc1cc(C)cc([C@@H](O)C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000810156072 1048661880 /nfs/dbraw/zinc/66/18/80/1048661880.db2.gz RJBDQAQEINKMLC-SFHVURJKSA-N 1 0 348.368 4.017 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCOc1ccc(Cl)cc1 ZINC001171182332 1048672599 /nfs/dbraw/zinc/67/25/99/1048672599.db2.gz UUQGCMSKBYJXQM-HNNXBMFYSA-N 1 0 328.843 4.201 20 30 EIEDRO COc1cccc2c(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccnc12 ZINC001171182379 1048674402 /nfs/dbraw/zinc/67/44/02/1048674402.db2.gz LLEZDTKRJKWAOV-UHFFFAOYSA-N 1 0 343.386 4.139 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCOc1cccc2ccccc21 ZINC001171184527 1048676189 /nfs/dbraw/zinc/67/61/89/1048676189.db2.gz NBEGMCKQNDBYLB-QGZVFWFLSA-N 1 0 330.431 4.311 20 30 EIEDRO CC(C)COc1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)ccn1 ZINC001171186557 1048678358 /nfs/dbraw/zinc/67/83/58/1048678358.db2.gz UXGFGMHYXFAJLQ-UHFFFAOYSA-N 1 0 335.407 4.012 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000810216950 1048686637 /nfs/dbraw/zinc/68/66/37/1048686637.db2.gz SYZOTSUDQQGGMZ-MRXNPFEDSA-N 1 0 342.405 4.102 20 30 EIEDRO C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000810220971 1048689846 /nfs/dbraw/zinc/68/98/46/1048689846.db2.gz IJLXQQCQWGSDIJ-CVEARBPZSA-N 1 0 345.487 4.292 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)Nc1ccc(C[NH3+])cc1C(F)(F)F ZINC001171191811 1048692847 /nfs/dbraw/zinc/69/28/47/1048692847.db2.gz FYOBHHSNEUESNY-LBPRGKRZSA-N 1 0 333.357 4.079 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)c2ccccc12 ZINC001171195348 1048702401 /nfs/dbraw/zinc/70/24/01/1048702401.db2.gz RTRYLONGIUYKJF-INIZCTEOSA-N 1 0 330.431 4.441 20 30 EIEDRO Cc1c(Br)cccc1C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171193713 1048703385 /nfs/dbraw/zinc/70/33/85/1048703385.db2.gz YMBWUMWTNIBUAW-CYBMUJFWSA-N 1 0 343.268 4.350 20 30 EIEDRO C=CCCCCCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000810243771 1048726656 /nfs/dbraw/zinc/72/66/56/1048726656.db2.gz TZDMMGAJPYRXHY-QGZVFWFLSA-N 1 0 339.476 4.160 20 30 EIEDRO C=CCCCCCCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000810243770 1048727981 /nfs/dbraw/zinc/72/79/81/1048727981.db2.gz TZDMMGAJPYRXHY-KRWDZBQOSA-N 1 0 339.476 4.160 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)ccc1C#N ZINC000810250991 1048728565 /nfs/dbraw/zinc/72/85/65/1048728565.db2.gz RSDBBYVJDUDNHA-QGZVFWFLSA-N 1 0 349.478 4.408 20 30 EIEDRO C#Cc1ccc(C[N@@H+](CCC)[C@@H](C)C(=O)Nc2ccccc2C)cc1 ZINC001144579008 1048729671 /nfs/dbraw/zinc/72/96/71/1048729671.db2.gz VOKWMVMNMZLFPJ-SFHVURJKSA-N 1 0 334.463 4.216 20 30 EIEDRO C#Cc1ccc(C[NH+]2CCC(c3noc4ccc(F)cc43)CC2)cc1 ZINC001144576408 1048735019 /nfs/dbraw/zinc/73/50/19/1048735019.db2.gz KAOQJHGGQHGAAS-UHFFFAOYSA-N 1 0 334.394 4.328 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC001171202354 1048761302 /nfs/dbraw/zinc/76/13/02/1048761302.db2.gz BUNZCOKZHDBZBO-QGZVFWFLSA-N 1 0 332.447 4.084 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)C1 ZINC000845939419 1048768079 /nfs/dbraw/zinc/76/80/79/1048768079.db2.gz OVYGZZUXLGGHBP-XLIONFOSSA-N 1 0 349.478 4.193 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1cccc(Br)c1 ZINC001171208418 1048804352 /nfs/dbraw/zinc/80/43/52/1048804352.db2.gz BLFLYYHMQNSDLD-AWEZNQCLSA-N 1 0 343.268 4.384 20 30 EIEDRO COc1cccc([C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1O ZINC000846153963 1048824915 /nfs/dbraw/zinc/82/49/15/1048824915.db2.gz KQYLORLTTJJWTM-ZDUSSCGKSA-N 1 0 349.352 4.122 20 30 EIEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000846211509 1048848480 /nfs/dbraw/zinc/84/84/80/1048848480.db2.gz GDBCREHAYKZKLJ-HSZRJFAPSA-N 1 0 345.490 4.108 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3cccc(Br)c3)CCC2)cc1 ZINC000130739589 1048866526 /nfs/dbraw/zinc/86/65/26/1048866526.db2.gz RNCPESLWCLMNOC-UHFFFAOYSA-N 1 0 341.252 4.490 20 30 EIEDRO CCCCCCCC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000772948724 1048885499 /nfs/dbraw/zinc/88/54/99/1048885499.db2.gz LENLCQWPZULGKX-HNNXBMFYSA-N 1 0 326.506 4.069 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)Cc2cccs2)cc(OC)c1OC ZINC000772946859 1048886393 /nfs/dbraw/zinc/88/63/93/1048886393.db2.gz QPADGGYKCWYYKF-AWEZNQCLSA-N 1 0 331.481 4.215 20 30 EIEDRO Cc1cc(C#N)ccc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000846754250 1048890559 /nfs/dbraw/zinc/89/05/59/1048890559.db2.gz KOVHDUAXZPDSOW-UHFFFAOYSA-N 1 0 337.389 4.084 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001170860480 1048932991 /nfs/dbraw/zinc/93/29/91/1048932991.db2.gz IVJNVHHEYCHQSA-PMACEKPBSA-N 1 0 338.426 4.375 20 30 EIEDRO C=C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)c1ccccc1 ZINC001132619143 1048954100 /nfs/dbraw/zinc/95/41/00/1048954100.db2.gz NCXYOIDHNPNDLZ-NQIIRXRSSA-N 1 0 340.511 4.260 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1nc(Br)cs1)C1CC1 ZINC000817585448 1049013257 /nfs/dbraw/zinc/01/32/57/1049013257.db2.gz MQKSBSUIGAMUBW-GFCCVEGCSA-N 1 0 342.306 4.276 20 30 EIEDRO C[C@@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1ccc(OCC#N)cc1 ZINC000772959443 1048992798 /nfs/dbraw/zinc/99/27/98/1048992798.db2.gz NEHKWSADCQDYCP-PXAZEXFGSA-N 1 0 328.799 4.027 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+]Cc2csc(C#N)c2)cc1OCC ZINC000921487273 1049003462 /nfs/dbraw/zinc/00/34/62/1049003462.db2.gz GTSVSZZQVVXMLY-ZDUSSCGKSA-N 1 0 330.453 4.268 20 30 EIEDRO C=CC[C@@H](C)[NH2+]Cc1cc(Br)c(OCCC)c(OC)c1 ZINC000134749961 1049010115 /nfs/dbraw/zinc/01/01/15/1049010115.db2.gz CPTIOBRJEFUVJA-GFCCVEGCSA-N 1 0 342.277 4.301 20 30 EIEDRO N#CC1(Nc2cnc3ccccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC001171275421 1049010674 /nfs/dbraw/zinc/01/06/74/1049010674.db2.gz UYQMALMSHCAQIO-UHFFFAOYSA-N 1 0 342.446 4.205 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccncc2Cl)c1 ZINC000817581026 1049011432 /nfs/dbraw/zinc/01/14/32/1049011432.db2.gz MQOYFAQACVISID-DZGCQCFKSA-N 1 0 329.831 4.267 20 30 EIEDRO Cn1ccc2c1cccc2NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171277958 1049034878 /nfs/dbraw/zinc/03/48/78/1049034878.db2.gz YXLASNVXWUXOPU-UHFFFAOYSA-N 1 0 344.462 4.149 20 30 EIEDRO C=C[C@@H](CC)CC(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC ZINC001136038011 1049051543 /nfs/dbraw/zinc/05/15/43/1049051543.db2.gz XSSPQKNSUMVKSX-MAUKXSAKSA-N 1 0 336.907 4.441 20 30 EIEDRO N#Cc1cccc(C[NH2+]CCCc2cccc(Br)c2)c1 ZINC000609419856 1049055615 /nfs/dbraw/zinc/05/56/15/1049055615.db2.gz FGTOPIYQCMETGY-UHFFFAOYSA-N 1 0 329.241 4.043 20 30 EIEDRO CC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CC1(C)C ZINC001171287990 1049061895 /nfs/dbraw/zinc/06/18/95/1049061895.db2.gz YVWNAQLRCUGWOM-HZPDHXFCSA-N 1 0 325.374 4.351 20 30 EIEDRO N#Cc1csc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)n1 ZINC000811452849 1049069057 /nfs/dbraw/zinc/06/90/57/1049069057.db2.gz AVWWARJGESARNW-UHFFFAOYSA-N 1 0 327.453 4.055 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000135109751 1049070676 /nfs/dbraw/zinc/07/06/76/1049070676.db2.gz GNAGGAPWYUXPQI-UHFFFAOYSA-N 1 0 332.447 4.483 20 30 EIEDRO CC(C)(C#N)c1ccccc1CN1CCO[C@H](c2ccccc2F)C1 ZINC000135180891 1049082844 /nfs/dbraw/zinc/08/28/44/1049082844.db2.gz VEUZOCXWMDXBMO-FQEVSTJZSA-N 1 0 338.426 4.200 20 30 EIEDRO N#Cc1ccc(C[NH2+]CC(Cc2ccccc2)Cc2ccccc2)nc1 ZINC000811494260 1049089970 /nfs/dbraw/zinc/08/99/70/1049089970.db2.gz SOBBMVJMGVHVPT-UHFFFAOYSA-N 1 0 341.458 4.144 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC001147172377 1049096615 /nfs/dbraw/zinc/09/66/15/1049096615.db2.gz QBIOXVITZCNSSB-QUCCMNQESA-N 1 0 328.500 4.393 20 30 EIEDRO CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000818231354 1049117455 /nfs/dbraw/zinc/11/74/55/1049117455.db2.gz UMOMXLDKQDVKTQ-DLBZAZTESA-N 1 0 325.481 4.166 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)c1 ZINC000772983455 1049195870 /nfs/dbraw/zinc/19/58/70/1049195870.db2.gz KINBHJUSJRSAHD-BEFAXECRSA-N 1 0 336.435 4.153 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)ccc1OC ZINC000772985665 1049223452 /nfs/dbraw/zinc/22/34/52/1049223452.db2.gz LUFRIZOSYNNFJM-YQQAZPJKSA-N 1 0 330.472 4.290 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)ccc1OC ZINC000772985664 1049224757 /nfs/dbraw/zinc/22/47/57/1049224757.db2.gz LUFRIZOSYNNFJM-NVALYEJGSA-N 1 0 330.472 4.290 20 30 EIEDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc(C#N)cc1)c1c(Cl)cccc1Cl ZINC000818998501 1049230428 /nfs/dbraw/zinc/23/04/28/1049230428.db2.gz HUMYQZDJOOJKJA-SJCJKPOMSA-N 1 0 349.261 4.292 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000819065310 1049255392 /nfs/dbraw/zinc/25/53/92/1049255392.db2.gz HMDVLEZYHQYWPJ-SJORKVTESA-N 1 0 347.245 4.176 20 30 EIEDRO N#CCC[C@@H]([NH2+]C[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819184205 1049274703 /nfs/dbraw/zinc/27/47/03/1049274703.db2.gz WVHQRPYMZHFRPL-MSOLQXFVSA-N 1 0 348.368 4.373 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC001171333361 1049334876 /nfs/dbraw/zinc/33/48/76/1049334876.db2.gz VXLKYSUVCVAOSJ-SJLPKXTDSA-N 1 0 346.540 4.163 20 30 EIEDRO C[C@H](NN=C1CCC([N@H+](C)Cc2ccccc2)CC1)c1ccncc1 ZINC000819817217 1049375939 /nfs/dbraw/zinc/37/59/39/1049375939.db2.gz YIUQVFRUCIRXFS-PBVYKCSPSA-N 1 0 336.483 4.163 20 30 EIEDRO N#Cc1cccc(NCCCC[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000609893493 1049386186 /nfs/dbraw/zinc/38/61/86/1049386186.db2.gz ONSHORDRXQFVQR-UHFFFAOYSA-N 1 0 348.494 4.100 20 30 EIEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(F)cc(F)c2C1)c1cccc(C#N)c1 ZINC001170669763 1049391274 /nfs/dbraw/zinc/39/12/74/1049391274.db2.gz NGRCSAMHTWBFJS-FXAWDEMLSA-N 1 0 326.390 4.435 20 30 EIEDRO C=CCOCC[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC001171354085 1049509414 /nfs/dbraw/zinc/50/94/14/1049509414.db2.gz PKDGATUPDVVPQH-KRWDZBQOSA-N 1 0 338.289 4.049 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000773008358 1049520363 /nfs/dbraw/zinc/52/03/63/1049520363.db2.gz KOVZDUZAUGFPLH-LIRRHRJNSA-N 1 0 349.833 4.341 20 30 EIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000610132799 1049556744 /nfs/dbraw/zinc/55/67/44/1049556744.db2.gz HVMCBPWYEAYONN-QGZVFWFLSA-N 1 0 338.451 4.256 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000773081638 1049571567 /nfs/dbraw/zinc/57/15/67/1049571567.db2.gz FGZVYFKYWUKKPB-LJQANCHMSA-N 1 0 336.435 4.133 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCc3c2cccc3F)cc(OC)c1OC ZINC000747815408 1049578425 /nfs/dbraw/zinc/57/84/25/1049578425.db2.gz HGAYXYCICAEFLG-LJQANCHMSA-N 1 0 341.426 4.349 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1 ZINC000773104897 1049584861 /nfs/dbraw/zinc/58/48/61/1049584861.db2.gz GQVLRLJFDTWMFY-HNAYVOBHSA-N 1 0 332.447 4.332 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C/c2csc(-c3ccccn3)n2)c1 ZINC000821023174 1049589849 /nfs/dbraw/zinc/58/98/49/1049589849.db2.gz YQBBFGVJXUADGO-MDZDMXLPSA-N 1 0 349.459 4.163 20 30 EIEDRO C#C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC000812795319 1049592639 /nfs/dbraw/zinc/59/26/39/1049592639.db2.gz QZLWFCWZXCCUTQ-HSQYWUDLSA-N 1 0 336.454 4.143 20 30 EIEDRO C#C[C@H](N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793269 1049593368 /nfs/dbraw/zinc/59/33/68/1049593368.db2.gz RJMUFUKHLZRMLV-AGHHOFFYSA-N 1 0 336.454 4.000 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000812842601 1049606792 /nfs/dbraw/zinc/60/67/92/1049606792.db2.gz MTDPZOQVKMFOLS-GOSISDBHSA-N 1 0 329.532 4.446 20 30 EIEDRO C[C@H]1CCCC[C@H]1OCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237569218 1049615902 /nfs/dbraw/zinc/61/59/02/1049615902.db2.gz YWQAFAOREXDUFX-FXAWDEMLSA-N 1 0 330.472 4.054 20 30 EIEDRO [NH2+]=C(N[C@H]1CCc2c(F)cccc2C1)c1ccc(C(F)(F)F)cc1 ZINC001171397357 1049616713 /nfs/dbraw/zinc/61/67/13/1049616713.db2.gz QIZAPCVFFWRHEX-AWEZNQCLSA-N 1 0 336.332 4.107 20 30 EIEDRO CCCCCCCC[C@H](C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001133494661 1049620929 /nfs/dbraw/zinc/62/09/29/1049620929.db2.gz QIFKLTSFNKLEPR-OKZBNKHCSA-N 1 0 340.577 4.069 20 30 EIEDRO Cc1ccc(C#N)cc1Nc1ccc(Br)c2c1C[NH2+]CC2 ZINC001159941920 1049683338 /nfs/dbraw/zinc/68/33/38/1049683338.db2.gz NMKQEWNNVLMYQV-UHFFFAOYSA-N 1 0 342.240 4.019 20 30 EIEDRO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171471391 1049726578 /nfs/dbraw/zinc/72/65/78/1049726578.db2.gz HKMRQVILNLJPTM-SFHVURJKSA-N 1 0 326.390 4.238 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3cccc(F)c3C2)c(C(F)(F)F)c1 ZINC001170977286 1049730914 /nfs/dbraw/zinc/73/09/14/1049730914.db2.gz NTDNYZDTYYSFLI-OAHLLOKOSA-N 1 0 348.343 4.363 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(F)c(Cl)c2)c1 ZINC000237746593 1049742488 /nfs/dbraw/zinc/74/24/88/1049742488.db2.gz IVPBQSWOYLHFJJ-UHFFFAOYSA-N 1 0 332.806 4.451 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+]C(C)(C)c2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171725967 1049784661 /nfs/dbraw/zinc/78/46/61/1049784661.db2.gz QQMDUZHMFVRAOD-UTKZUKDTSA-N 1 0 333.479 4.046 20 30 EIEDRO C[C@@H]1C[C@H](N(CCC#N)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC001171746603 1049789898 /nfs/dbraw/zinc/78/98/98/1049789898.db2.gz PSGRFUGDRKYUPI-KNQAVFIVSA-N 1 0 333.479 4.065 20 30 EIEDRO CC[C@@H]1C[C@H]([N@H+](CC)CCC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001171823991 1049802426 /nfs/dbraw/zinc/80/24/26/1049802426.db2.gz KPSABPPWYJNLNS-FVQHAEBGSA-N 1 0 337.508 4.179 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1F ZINC001171827387 1049802878 /nfs/dbraw/zinc/80/28/78/1049802878.db2.gz OAPPSWKBQQSCOF-AUUYWEPGSA-N 1 0 339.414 4.011 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Cc1ccc(C)c(Cl)c1)C(C)C ZINC001136650116 1049811154 /nfs/dbraw/zinc/81/11/54/1049811154.db2.gz QAAPPSWUBGZWFX-IBGZPJMESA-N 1 0 348.918 4.006 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC001171847279 1049812781 /nfs/dbraw/zinc/81/27/81/1049812781.db2.gz KWTPAPQTMFHBJQ-QWHCGFSZSA-N 1 0 347.459 4.051 20 30 EIEDRO C=CC[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001171848041 1049813260 /nfs/dbraw/zinc/81/32/60/1049813260.db2.gz WINNYTHEIYVALB-GFCCVEGCSA-N 1 0 339.233 4.145 20 30 EIEDRO Cc1cc(C[NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)ccc1C#N ZINC000813783696 1049815412 /nfs/dbraw/zinc/81/54/12/1049815412.db2.gz FQMMSADLCWFZRB-MRXNPFEDSA-N 1 0 345.487 4.040 20 30 EIEDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001171899736 1049817487 /nfs/dbraw/zinc/81/74/87/1049817487.db2.gz BOZNTUXCXPDYKD-HXUWFJFHSA-N 1 0 347.462 4.341 20 30 EIEDRO C=CC[N@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)[C@@H](C)COC ZINC001171916774 1049819131 /nfs/dbraw/zinc/81/91/31/1049819131.db2.gz POCIFTLOMJVERY-INIZCTEOSA-N 1 0 343.467 4.248 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC001171920643 1049820227 /nfs/dbraw/zinc/82/02/27/1049820227.db2.gz KKHFVTLCMYICHE-RDJZCZTQSA-N 1 0 341.455 4.278 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCc1ccc(C#N)cc1 ZINC001171958874 1049822399 /nfs/dbraw/zinc/82/23/99/1049822399.db2.gz KFQBQEWKUYLHAD-AWEZNQCLSA-N 1 0 332.369 4.340 20 30 EIEDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC001171006410 1049824849 /nfs/dbraw/zinc/82/48/49/1049824849.db2.gz FJJKSFVLASNTIJ-CQSZACIVSA-N 1 0 346.833 4.444 20 30 EIEDRO CN(Cc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171984376 1049840171 /nfs/dbraw/zinc/84/01/71/1049840171.db2.gz KUEOPINDDUVQOD-QFIPXVFZSA-N 1 0 347.506 4.433 20 30 EIEDRO N#Cc1ccc(Br)c(Nc2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC001160243179 1049843017 /nfs/dbraw/zinc/84/30/17/1049843017.db2.gz HRMLDQGKUAAIIS-MRXNPFEDSA-N 1 0 342.240 4.489 20 30 EIEDRO C#CC(CC)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172077806 1049846110 /nfs/dbraw/zinc/84/61/10/1049846110.db2.gz JDMGAFZMTGFUQH-OSYLJGHBSA-N 1 0 334.504 4.089 20 30 EIEDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000616126432 1049854099 /nfs/dbraw/zinc/85/40/99/1049854099.db2.gz ZYWFPPSYCWMDCQ-NRFANRHFSA-N 1 0 336.479 4.177 20 30 EIEDRO CN(c1ccc(NC2CCC(C)(C#N)CC2)cc1)C1CC[NH+](C)CC1 ZINC000823507987 1049856357 /nfs/dbraw/zinc/85/63/57/1049856357.db2.gz PFFAGZOYLHDHQR-UHFFFAOYSA-N 1 0 340.515 4.101 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC001172301346 1049873285 /nfs/dbraw/zinc/87/32/85/1049873285.db2.gz NAJKWRVYPRHFMZ-KRWDZBQOSA-N 1 0 327.431 4.341 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(CC2CCC2)CCOCC1 ZINC001172303909 1049873823 /nfs/dbraw/zinc/87/38/23/1049873823.db2.gz FVDQEUQTDKIJSF-QGZVFWFLSA-N 1 0 326.484 4.066 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC001172304109 1049873845 /nfs/dbraw/zinc/87/38/45/1049873845.db2.gz HCGKPXQFBYJSDW-AWEZNQCLSA-N 1 0 335.382 4.073 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCOc2ccc(Cl)cc21 ZINC001172307072 1049874940 /nfs/dbraw/zinc/87/49/40/1049874940.db2.gz BMJJAFSQADNZCY-ACJLOTCBSA-N 1 0 326.827 4.256 20 30 EIEDRO COC(=O)c1ccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172313496 1049875485 /nfs/dbraw/zinc/87/54/85/1049875485.db2.gz XZWVFNJMGWBPFQ-HRAATJIYSA-N 1 0 348.446 4.113 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)n1c2ccc(F)cc2c2c1C[NH2+]CC2 ZINC001172312233 1049875772 /nfs/dbraw/zinc/87/57/72/1049875772.db2.gz FURVFVZVLZBBHX-CQSZACIVSA-N 1 0 333.410 4.101 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001172319062 1049876448 /nfs/dbraw/zinc/87/64/48/1049876448.db2.gz KNHDAKDXGVWLDD-GOSISDBHSA-N 1 0 343.474 4.316 20 30 EIEDRO Cc1ccc([C@@]2(C)C[N@H+]([C@H](C)Cc3ccc(C#N)cc3)CCO2)cc1 ZINC001172319538 1049877803 /nfs/dbraw/zinc/87/78/03/1049877803.db2.gz OAZFDLSEGQFGKO-XMSQKQJNSA-N 1 0 334.463 4.045 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC001172292048 1049881048 /nfs/dbraw/zinc/88/10/48/1049881048.db2.gz MTOYRIVWGNZIIM-GFCCVEGCSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC001172289830 1049881141 /nfs/dbraw/zinc/88/11/41/1049881141.db2.gz ISZILSZFGHUPON-VGSWGCGISA-N 1 0 327.431 4.263 20 30 EIEDRO CCCCCCC[C@@H](CC)[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC001172351853 1049892480 /nfs/dbraw/zinc/89/24/80/1049892480.db2.gz WYPQBODEGHFVCH-GOSISDBHSA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001172359287 1049895007 /nfs/dbraw/zinc/89/50/07/1049895007.db2.gz UUXQFYRQQQXAEH-QZTJIDSGSA-N 1 0 335.536 4.495 20 30 EIEDRO CC(C)COCC[C@H](C)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001172475651 1049909301 /nfs/dbraw/zinc/90/93/01/1049909301.db2.gz LUDAGOCYMNKTDX-SFHVURJKSA-N 1 0 328.500 4.264 20 30 EIEDRO CC(C)COCC[C@H](C)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001172481391 1049910254 /nfs/dbraw/zinc/91/02/54/1049910254.db2.gz RUAPOGKTOAPAGE-KRWDZBQOSA-N 1 0 332.463 4.134 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+][C@H](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001172486420 1049911098 /nfs/dbraw/zinc/91/10/98/1049911098.db2.gz BSYWLZYHQRNYDG-WMZOPIPTSA-N 1 0 330.472 4.001 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001172496872 1049921751 /nfs/dbraw/zinc/92/17/51/1049921751.db2.gz SIOUJPCUFDJSGO-QGZVFWFLSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001172492066 1049921843 /nfs/dbraw/zinc/92/18/43/1049921843.db2.gz PYPIVZBMKOGFMD-CVEARBPZSA-N 1 0 343.471 4.197 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCc2c(ccc(=O)n2C)C1 ZINC001172506241 1049924070 /nfs/dbraw/zinc/92/40/70/1049924070.db2.gz QHKNZWBJLRNMNK-RTBURBONSA-N 1 0 332.532 4.361 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC001172510382 1049925444 /nfs/dbraw/zinc/92/54/44/1049925444.db2.gz AWYAHEBDDOVRKG-GOSISDBHSA-N 1 0 325.541 4.251 20 30 EIEDRO CCCCCCC[C@@H](CCC)[N@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172509085 1049925888 /nfs/dbraw/zinc/92/58/88/1049925888.db2.gz SEZMIFDKNXBIND-RBUKOAKNSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+]C1CCN(COC(C)=O)CC1 ZINC001172508050 1049926099 /nfs/dbraw/zinc/92/60/99/1049926099.db2.gz FMXLJAHNDPVIRD-SFHVURJKSA-N 1 0 326.525 4.090 20 30 EIEDRO N#Cc1ccccc1N1CC[NH+]([C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC001172557902 1049932551 /nfs/dbraw/zinc/93/25/51/1049932551.db2.gz RTKUQVORFKACEI-TZIWHRDSSA-N 1 0 331.463 4.017 20 30 EIEDRO CCCC[C@H]1C[C@H]([N@H+](CC)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172652583 1049955997 /nfs/dbraw/zinc/95/59/97/1049955997.db2.gz YDACMVGABPTHHP-SJORKVTESA-N 1 0 337.508 4.180 20 30 EIEDRO CCCC[C@@H]1C[C@H]([NH2+]CC(C)(C)S)CCN1C(=O)OC(C)(C)C ZINC001172626979 1049961014 /nfs/dbraw/zinc/96/10/14/1049961014.db2.gz NCUKRGJUUZSPBM-HUUCEWRRSA-N 1 0 344.565 4.243 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1ccc(-c2ccncc2)cc1 ZINC000180930173 1049966048 /nfs/dbraw/zinc/96/60/48/1049966048.db2.gz UKSXAOKNBHJTGG-KRWDZBQOSA-N 1 0 343.430 4.350 20 30 EIEDRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000248368090 1050051917 /nfs/dbraw/zinc/05/19/17/1050051917.db2.gz UUKCEJVYXSELCT-JKSUJKDBSA-N 1 0 347.528 4.387 20 30 EIEDRO COc1cccc([C@H](C[NH2+][C@H](C)c2cccc(C#N)c2)N2CCCC2)c1 ZINC000181401430 1050116006 /nfs/dbraw/zinc/11/60/06/1050116006.db2.gz GNJGLWZHXUWMGV-VGSWGCGISA-N 1 0 349.478 4.055 20 30 EIEDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2)N2CCCC2)c1 ZINC000181401410 1050116332 /nfs/dbraw/zinc/11/63/32/1050116332.db2.gz GNJGLWZHXUWMGV-JTSKRJEESA-N 1 0 349.478 4.055 20 30 EIEDRO N#CCCCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC000089701370 1050129644 /nfs/dbraw/zinc/12/96/44/1050129644.db2.gz ATERPHBGCRACPN-CQSZACIVSA-N 1 0 327.653 4.373 20 30 EIEDRO COC(=O)[C@@H]1CCC[C@H]([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001172791750 1050158485 /nfs/dbraw/zinc/15/84/85/1050158485.db2.gz NBYHFDGRCOUXSE-MJGOQNOKSA-N 1 0 334.504 4.437 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)C1 ZINC001177180629 1050164696 /nfs/dbraw/zinc/16/46/96/1050164696.db2.gz BIGJIPUEURHVRH-FUHIMQAGSA-N 1 0 348.918 4.048 20 30 EIEDRO Cc1ccc2c(c1)C[C@@H](NC(=[NH2+])c1ccc(C(F)(F)F)cc1)CC2 ZINC001172825988 1050166545 /nfs/dbraw/zinc/16/65/45/1050166545.db2.gz MRUFRFHCSUCOAD-KRWDZBQOSA-N 1 0 332.369 4.277 20 30 EIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cc2cc(F)ccc2o1)C(C)C ZINC001177225520 1050168103 /nfs/dbraw/zinc/16/81/03/1050168103.db2.gz FXSQUQLWARWNAE-IBGZPJMESA-N 1 0 330.447 4.360 20 30 EIEDRO N#Cc1c(F)cccc1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001185913984 1050193329 /nfs/dbraw/zinc/19/33/29/1050193329.db2.gz GLDUZGKCUFBQOI-LRXVAGHRSA-N 1 0 349.453 4.410 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCOc1c(C)cccc1C ZINC001177411696 1050207730 /nfs/dbraw/zinc/20/77/30/1050207730.db2.gz ONUUAMPHUFTEAE-UHFFFAOYSA-N 1 0 343.854 4.137 20 30 EIEDRO N#Cc1ccc(F)cc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001186010316 1050211473 /nfs/dbraw/zinc/21/14/73/1050211473.db2.gz XBHRNQOLJSVKDE-UHFFFAOYSA-N 1 0 349.453 4.190 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(OCC)cc3)CCOCC2)C1 ZINC001177459791 1050215962 /nfs/dbraw/zinc/21/59/62/1050215962.db2.gz YZQXSOWETWXWAT-UYAOXDASSA-N 1 0 343.511 4.468 20 30 EIEDRO C=CCCOCC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000090883978 1050216131 /nfs/dbraw/zinc/21/61/31/1050216131.db2.gz SIEJVKNCGIYGAP-CQSZACIVSA-N 1 0 346.496 4.370 20 30 EIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCOc1cccc(C#N)c1 ZINC001172876818 1050216945 /nfs/dbraw/zinc/21/69/45/1050216945.db2.gz CXBVJJMHULOYJP-CQSZACIVSA-N 1 0 346.883 4.361 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]CCc1ccccc1C(F)(F)F ZINC001177497017 1050232428 /nfs/dbraw/zinc/23/24/28/1050232428.db2.gz WMMORWOAITWQST-UHFFFAOYSA-N 1 0 333.353 4.050 20 30 EIEDRO CCCCCCC[N@H+](C)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173000737 1050260849 /nfs/dbraw/zinc/26/08/49/1050260849.db2.gz BGYJZNMFQJZHAP-UHFFFAOYSA-N 1 0 334.479 4.333 20 30 EIEDRO CCCOC1CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001173095247 1050287534 /nfs/dbraw/zinc/28/75/34/1050287534.db2.gz IUISOLBTPSZSAV-UHFFFAOYSA-N 1 0 326.484 4.282 20 30 EIEDRO C=C(Br)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001177741555 1050291509 /nfs/dbraw/zinc/29/15/09/1050291509.db2.gz AIWDAJNRTOPFQY-UHFFFAOYSA-N 1 0 341.249 4.032 20 30 EIEDRO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1csc(C#N)c1 ZINC001173076664 1050291810 /nfs/dbraw/zinc/29/18/10/1050291810.db2.gz VNHUPNWNNRMHPF-NSHDSACASA-N 1 0 340.370 4.239 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC001177791354 1050299757 /nfs/dbraw/zinc/29/97/57/1050299757.db2.gz VVTYVWWHWMEUFK-OALUTQOASA-N 1 0 334.548 4.135 20 30 EIEDRO Cc1cccc(CCCNc2cc(Br)ccc2C#N)n1 ZINC001186387938 1050304702 /nfs/dbraw/zinc/30/47/02/1050304702.db2.gz KTFGFZAAINECQX-UHFFFAOYSA-N 1 0 330.229 4.069 20 30 EIEDRO COC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1cccc(C(F)(F)F)c1 ZINC000618193461 1050305185 /nfs/dbraw/zinc/30/51/85/1050305185.db2.gz FRGXKYRTCCJEIT-GOSISDBHSA-N 1 0 348.368 4.363 20 30 EIEDRO CCOc1cc(CCC[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000181776596 1050328989 /nfs/dbraw/zinc/32/89/89/1050328989.db2.gz VKKOHWXZPNCGQL-INIZCTEOSA-N 1 0 338.451 4.249 20 30 EIEDRO N#CC(CC[N@H+]1CC[C@H](C(F)F)C1)(c1ccccc1)c1ccccc1 ZINC000618291153 1050330699 /nfs/dbraw/zinc/33/06/99/1050330699.db2.gz OXYVAHCPIDVVPG-KRWDZBQOSA-N 1 0 340.417 4.473 20 30 EIEDRO C[NH+]1CCN(c2cccc(Nc3ccc(C#N)c4ccccc34)c2)CC1 ZINC001212712914 1050335405 /nfs/dbraw/zinc/33/54/05/1050335405.db2.gz KKWQQWUPWXKEOY-UHFFFAOYSA-N 1 0 342.446 4.207 20 30 EIEDRO CC[C@@]1([NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)CCOC1 ZINC000618308922 1050335967 /nfs/dbraw/zinc/33/59/67/1050335967.db2.gz CEAOTPXGAUUBEL-OAQYLSRUSA-N 1 0 334.463 4.045 20 30 EIEDRO CC[C@@H](C[NH2+]Cc1c(C)cc(C#N)cc1C)Oc1cccc(F)c1 ZINC001177942989 1050340697 /nfs/dbraw/zinc/34/06/97/1050340697.db2.gz LVBNTGGRBDLGFU-SFHVURJKSA-N 1 0 326.415 4.261 20 30 EIEDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(C#N)c1 ZINC001173220263 1050352197 /nfs/dbraw/zinc/35/21/97/1050352197.db2.gz XBTPXZARPGGDMN-FOIQADDNSA-N 1 0 337.423 4.384 20 30 EIEDRO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219612 1050353061 /nfs/dbraw/zinc/35/30/61/1050353061.db2.gz OFBRUGAXVWUANB-HZPDHXFCSA-N 1 0 340.423 4.441 20 30 EIEDRO CCO[C@@H](CC[NH2+][C@H](C)c1ccc(OCC#N)cc1)C1CCCC1 ZINC000181850015 1050359105 /nfs/dbraw/zinc/35/91/05/1050359105.db2.gz WHYPKRAHJIZUEY-UZLBHIALSA-N 1 0 330.472 4.225 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1cccc(C#N)c1 ZINC000181866532 1050366675 /nfs/dbraw/zinc/36/66/75/1050366675.db2.gz VXFZWEZDKSJFRB-RDTXWAMCSA-N 1 0 325.843 4.141 20 30 EIEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)Cc1ccc(CC)cc1)C2 ZINC001173249160 1050376111 /nfs/dbraw/zinc/37/61/11/1050376111.db2.gz YCZSBVGJDWUGOD-YUXAGFNASA-N 1 0 343.511 4.006 20 30 EIEDRO CCCCCCCC[C@@H](CCC)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC001173310281 1050403406 /nfs/dbraw/zinc/40/34/06/1050403406.db2.gz RVRJBKWOXOKVFS-QGZVFWFLSA-N 1 0 331.566 4.415 20 30 EIEDRO CCCCCCCC[C@H](CCC)[NH+]1CCC(NC(=O)COC)CC1 ZINC001173309670 1050404751 /nfs/dbraw/zinc/40/47/51/1050404751.db2.gz JEMTYUHQXTXGIC-IBGZPJMESA-N 1 0 340.552 4.133 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC001173313569 1050406991 /nfs/dbraw/zinc/40/69/91/1050406991.db2.gz AZLQUUZWWINBEA-UHFFFAOYSA-N 1 0 327.390 4.351 20 30 EIEDRO C=CCOC1CCC([N@@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001173321382 1050414289 /nfs/dbraw/zinc/41/42/89/1050414289.db2.gz JWPUCLUFVJKUIW-UHFFFAOYSA-N 1 0 336.273 4.279 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCN(Cc3ccccc3)C[C@@H]2CC)CC1 ZINC001173322264 1050416066 /nfs/dbraw/zinc/41/60/66/1050416066.db2.gz AJZDQYQUSXBFDT-HWELCPFYSA-N 1 0 342.527 4.097 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(OCc2cccnc2)cc1 ZINC000618562539 1050416410 /nfs/dbraw/zinc/41/64/10/1050416410.db2.gz CIVJDJZVGPBCRK-SQGPQFPESA-N 1 0 335.451 4.394 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cc(F)ccc2OC(F)(F)F)CC1 ZINC001173324193 1050417304 /nfs/dbraw/zinc/41/73/04/1050417304.db2.gz JCNRMTYDAZPGQS-UHFFFAOYSA-N 1 0 330.325 4.286 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001173328120 1050419948 /nfs/dbraw/zinc/41/99/48/1050419948.db2.gz OJBMNVGZHRONFU-UHFFFAOYSA-N 1 0 331.769 4.316 20 30 EIEDRO N#CCC1CCC([NH2+]CC2(Cc3cccc(F)c3)CCOCC2)CC1 ZINC001173331993 1050423163 /nfs/dbraw/zinc/42/31/63/1050423163.db2.gz GHUYSHNAFFGMCI-UHFFFAOYSA-N 1 0 344.474 4.227 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC001173332873 1050423426 /nfs/dbraw/zinc/42/34/26/1050423426.db2.gz VFMNBMKEMPWCFO-XEXHBRLRSA-N 1 0 333.273 4.367 20 30 EIEDRO N#CCC1CCC([N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)CC1 ZINC001173333283 1050423573 /nfs/dbraw/zinc/42/35/73/1050423573.db2.gz MYPYTNRQVLXGCT-MOUZIVPDSA-N 1 0 338.495 4.498 20 30 EIEDRO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173336295 1050425407 /nfs/dbraw/zinc/42/54/07/1050425407.db2.gz VNTZZBSRVJLGAY-ABHNRTSZSA-N 1 0 349.519 4.036 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H]2CCc3ccc(Br)cc3C2)CC1 ZINC001173334329 1050425632 /nfs/dbraw/zinc/42/56/32/1050425632.db2.gz VKDSIEWYJVCJIZ-ZTUNLMCQSA-N 1 0 347.300 4.368 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2C2CCC(CC#N)CC2)cc1OC ZINC001173339136 1050427108 /nfs/dbraw/zinc/42/71/08/1050427108.db2.gz MPFFQBGBEJKJRR-VMWRSERWSA-N 1 0 328.456 4.313 20 30 EIEDRO Cc1cc(F)c(C#N)c(NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC001186895373 1050436461 /nfs/dbraw/zinc/43/64/61/1050436461.db2.gz DEJCRUZIFBZJHJ-OAHLLOKOSA-N 1 0 345.849 4.417 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC001173314799 1050438334 /nfs/dbraw/zinc/43/83/34/1050438334.db2.gz WBVZXEKFOFVRNG-XVAXZDLZSA-N 1 0 329.484 4.258 20 30 EIEDRO C=CCOC1CCC(n2c(C)c(CC[NH3+])c3cc(OC)ccc32)CC1 ZINC001173314965 1050438961 /nfs/dbraw/zinc/43/89/61/1050438961.db2.gz XTNMHRBOCKZHJA-UHFFFAOYSA-N 1 0 342.483 4.146 20 30 EIEDRO C=CCOC1CCC([NH2+]Cc2cccc(OC)c2C(F)(F)F)CC1 ZINC001173316009 1050439874 /nfs/dbraw/zinc/43/98/74/1050439874.db2.gz WEJIZVSOYMDTIX-UHFFFAOYSA-N 1 0 343.389 4.317 20 30 EIEDRO C=CCOC1CCC(n2cc(CC[NH3+])c3ccc(Cl)cc32)CC1 ZINC001173318640 1050440687 /nfs/dbraw/zinc/44/06/87/1050440687.db2.gz HANNEIRZMJOCCU-UHFFFAOYSA-N 1 0 332.875 4.482 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2ccsc2Br)CC1 ZINC001173319881 1050441568 /nfs/dbraw/zinc/44/15/68/1050441568.db2.gz ZUIOSMNMNWNEBZ-UHFFFAOYSA-N 1 0 344.318 4.157 20 30 EIEDRO C=CCOC1CCC([NH2+]C2(Cc3ccc(F)cc3)CCOCC2)CC1 ZINC001173318677 1050441780 /nfs/dbraw/zinc/44/17/80/1050441780.db2.gz JBBSOMNUDGHWEC-UHFFFAOYSA-N 1 0 347.474 4.021 20 30 EIEDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)n(-c2ccccc2)n1 ZINC000182046475 1050445690 /nfs/dbraw/zinc/44/56/90/1050445690.db2.gz WWEAINOGGATHJP-WMZOPIPTSA-N 1 0 344.462 4.334 20 30 EIEDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1c(C#N)cnc2c(Cl)cccc21 ZINC001187035485 1050474409 /nfs/dbraw/zinc/47/44/09/1050474409.db2.gz XSSPYTCDCGWVCJ-CQSZACIVSA-N 1 0 342.874 4.292 20 30 EIEDRO CC(C)(C)OC(=O)CCCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC001178469638 1050476502 /nfs/dbraw/zinc/47/65/02/1050476502.db2.gz RLJOZBDXJHIOFR-UHFFFAOYSA-N 1 0 344.499 4.479 20 30 EIEDRO C[C@H](CCc1ccc(Cl)c(Cl)c1)[NH2+]Cc1ncc(C#N)s1 ZINC001173552849 1050490023 /nfs/dbraw/zinc/49/00/23/1050490023.db2.gz WJNGXDDGLQGUSC-SNVBAGLBSA-N 1 0 340.279 4.432 20 30 EIEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586819 1050492513 /nfs/dbraw/zinc/49/25/13/1050492513.db2.gz ICCXPSNEHIFEFK-NZEHOUKNSA-N 1 0 349.519 4.084 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCCc2ccc(Br)cc2)CC1 ZINC001173590007 1050494461 /nfs/dbraw/zinc/49/44/61/1050494461.db2.gz QXZKXIDSBNQYRN-UHFFFAOYSA-N 1 0 335.289 4.444 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2cccc(N3CCCCCC3=O)c2)CC1 ZINC001173591716 1050494799 /nfs/dbraw/zinc/49/47/99/1050494799.db2.gz QKFBNRLJZFFOCZ-UHFFFAOYSA-N 1 0 339.483 4.156 20 30 EIEDRO CC1(C#N)CCC([NH2+]C2(Cc3cccc(Cl)c3)CCOCC2)CC1 ZINC001173590987 1050494812 /nfs/dbraw/zinc/49/48/12/1050494812.db2.gz GAOPAJRKZRZAIO-UHFFFAOYSA-N 1 0 346.902 4.494 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(OCC3CCOCC3)cc2)CC1 ZINC001173590980 1050494832 /nfs/dbraw/zinc/49/48/32/1050494832.db2.gz FWIYVKSLSVFBHT-UHFFFAOYSA-N 1 0 342.483 4.054 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC001173596137 1050496994 /nfs/dbraw/zinc/49/69/94/1050496994.db2.gz KXKUDANCFKGAGB-UHFFFAOYSA-N 1 0 330.447 4.279 20 30 EIEDRO CC1(C#N)CCC([NH2+]C2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001173591800 1050497306 /nfs/dbraw/zinc/49/73/06/1050497306.db2.gz RVOBZJZLTSQCSC-UHFFFAOYSA-N 1 0 345.918 4.366 20 30 EIEDRO CC(C)(C)OC(=O)C1(C[NH2+]C2CCC(C)(C#N)CC2)CCCCC1 ZINC001173593502 1050497754 /nfs/dbraw/zinc/49/77/54/1050497754.db2.gz QWKDVYVVASDIID-UHFFFAOYSA-N 1 0 334.504 4.341 20 30 EIEDRO COC(=O)c1cccc(C2CC[NH+](C3CCC(C)(C#N)CC3)CC2)c1 ZINC001173598658 1050499972 /nfs/dbraw/zinc/49/99/72/1050499972.db2.gz SRABCAIQVFQPNE-UHFFFAOYSA-N 1 0 340.467 4.125 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000618741635 1050500716 /nfs/dbraw/zinc/50/07/16/1050500716.db2.gz IFOXOKGSIPFWSD-JOCHJYFZSA-N 1 0 325.415 4.397 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)ccc1Br ZINC000618741579 1050500832 /nfs/dbraw/zinc/50/08/32/1050500832.db2.gz GKGCHYZKJIUZIL-SFHVURJKSA-N 1 0 341.252 4.406 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000618741033 1050500891 /nfs/dbraw/zinc/50/08/91/1050500891.db2.gz BWIYOKSLVTTYRR-KRWDZBQOSA-N 1 0 334.316 4.493 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000618742669 1050501093 /nfs/dbraw/zinc/50/10/93/1050501093.db2.gz OTNBTASTFUGQLW-MRXNPFEDSA-N 1 0 332.325 4.076 20 30 EIEDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173601090 1050502048 /nfs/dbraw/zinc/50/20/48/1050502048.db2.gz OJLJJABLOHBTQW-MWXLCCTBSA-N 1 0 325.500 4.055 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000618743176 1050502805 /nfs/dbraw/zinc/50/28/05/1050502805.db2.gz ZADHYZDIMLPEMN-KRWDZBQOSA-N 1 0 334.316 4.493 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000618743111 1050503116 /nfs/dbraw/zinc/50/31/16/1050503116.db2.gz XAGOFWAHEGEMKO-LJQANCHMSA-N 1 0 331.444 4.459 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000618743046 1050504281 /nfs/dbraw/zinc/50/42/81/1050504281.db2.gz VCGWBQNWLYWWON-JOCHJYFZSA-N 1 0 325.415 4.397 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000618743110 1050504432 /nfs/dbraw/zinc/50/44/32/1050504432.db2.gz XAGOFWAHEGEMKO-IBGZPJMESA-N 1 0 331.444 4.459 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173624358 1050509897 /nfs/dbraw/zinc/50/98/97/1050509897.db2.gz WGUJEKYIDUKRGM-OBXNSHGQSA-N 1 0 327.468 4.187 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000618802757 1050519780 /nfs/dbraw/zinc/51/97/80/1050519780.db2.gz FPWCDPSCXDGGLT-KUHUBIRLSA-N 1 0 334.419 4.058 20 30 EIEDRO COC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000618807024 1050535061 /nfs/dbraw/zinc/53/50/61/1050535061.db2.gz UYBWKADTMKIVBT-RBUKOAKNSA-N 1 0 326.827 4.176 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(C)c1 ZINC000618807076 1050536003 /nfs/dbraw/zinc/53/60/03/1050536003.db2.gz SPOMFWJGVLZVPP-IIBYNOLFSA-N 1 0 347.462 4.169 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1OC ZINC000618807454 1050536895 /nfs/dbraw/zinc/53/68/95/1050536895.db2.gz ZKTRIEFESNYPOE-LIRRHRJNSA-N 1 0 336.435 4.222 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc4cnccc4c3)CC2)cc1 ZINC000618810102 1050539529 /nfs/dbraw/zinc/53/95/29/1050539529.db2.gz NPLJYASIGWWGIF-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO N#CCCCC[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173706928 1050550530 /nfs/dbraw/zinc/55/05/30/1050550530.db2.gz JYMXWAUWBOLJTC-OAQYLSRUSA-N 1 0 334.463 4.406 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000093315562 1050559569 /nfs/dbraw/zinc/55/95/69/1050559569.db2.gz PHJRCLRVNFIYPW-AWEZNQCLSA-N 1 0 327.424 4.028 20 30 EIEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001178824382 1050565865 /nfs/dbraw/zinc/56/58/65/1050565865.db2.gz ZQEDMHZXPFZOPT-MJGOQNOKSA-N 1 0 336.483 4.265 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc(OC)c1O ZINC000093445092 1050602551 /nfs/dbraw/zinc/60/25/51/1050602551.db2.gz ZBKAOKIZAMJTLL-IBGZPJMESA-N 1 0 338.451 4.170 20 30 EIEDRO C[NH+](C)Cc1ccccc1Nc1ccc(C#N)cc1Br ZINC001173930479 1050653160 /nfs/dbraw/zinc/65/31/60/1050653160.db2.gz ZDKXOLVFFOJCJL-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO C=CCOc1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1Cl ZINC001179193632 1050654450 /nfs/dbraw/zinc/65/44/50/1050654450.db2.gz JOUXQKJPPBQZDW-KRWDZBQOSA-N 1 0 348.918 4.401 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(F)cc(Br)cc2F)CC1 ZINC001179507342 1050713454 /nfs/dbraw/zinc/71/34/54/1050713454.db2.gz VGYRZCWEMHBXQB-UMSPYCQHSA-N 1 0 328.200 4.009 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(OCC=C)c(OC)c2)CC1 ZINC001179506947 1050713927 /nfs/dbraw/zinc/71/39/27/1050713927.db2.gz MZZLXOMJONYPSJ-KOMQPUFPSA-N 1 0 333.859 4.195 20 30 EIEDRO C=C1CCC(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC001179541584 1050722602 /nfs/dbraw/zinc/72/26/02/1050722602.db2.gz OQGJCFFAOWPVBP-UHFFFAOYSA-N 1 0 327.394 4.074 20 30 EIEDRO C[C@H](C#N)c1ccc(NC(=O)c2ccc(C3CC[NH+](C)CC3)cc2)cc1 ZINC001188312972 1050743036 /nfs/dbraw/zinc/74/30/36/1050743036.db2.gz GSTXZHQQPTUPNX-MRXNPFEDSA-N 1 0 347.462 4.375 20 30 EIEDRO C=CCN(C(=O)c1ccc(C2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC001188313181 1050743139 /nfs/dbraw/zinc/74/31/39/1050743139.db2.gz KINJGFLJXRRYMF-UHFFFAOYSA-N 1 0 340.511 4.457 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(Br)cn1 ZINC000619465914 1050789565 /nfs/dbraw/zinc/78/95/65/1050789565.db2.gz GKMYMBDDWVKBRV-GTNSWQLSSA-N 1 0 342.240 4.054 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000619672157 1050851752 /nfs/dbraw/zinc/85/17/52/1050851752.db2.gz VNACSZCONKPPNI-GCHJQGSQSA-N 1 0 328.300 4.178 20 30 EIEDRO COc1cc(C[N@@H+]2CC[C@](C)(CCc3ccccc3)C2)ccc1C#N ZINC001180080847 1050877011 /nfs/dbraw/zinc/87/70/11/1050877011.db2.gz GXZFZIRKIXTALL-QFIPXVFZSA-N 1 0 334.463 4.412 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)cc1Cl ZINC000619754793 1050883317 /nfs/dbraw/zinc/88/33/17/1050883317.db2.gz KSHKOYILQMVKPS-OXQOHEQNSA-N 1 0 340.854 4.469 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000619755198 1050884575 /nfs/dbraw/zinc/88/45/75/1050884575.db2.gz CDNVUCLPMCGXMP-QGZVFWFLSA-N 1 0 329.787 4.361 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1Cl ZINC000619755189 1050886004 /nfs/dbraw/zinc/88/60/04/1050886004.db2.gz BTCYDMYUKYOFQU-QGZVFWFLSA-N 1 0 330.790 4.354 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cc(Br)cs2)cc1Cl ZINC000619748984 1050896948 /nfs/dbraw/zinc/89/69/48/1050896948.db2.gz VAVKXMSFXMYAMK-UHFFFAOYSA-N 1 0 341.661 4.325 20 30 EIEDRO COc1ccc2oc(C[NH2+]Cc3ccc(C#N)c(Cl)c3)cc2c1 ZINC000619748763 1050894294 /nfs/dbraw/zinc/89/42/94/1050894294.db2.gz NPMRXGKPRDISII-UHFFFAOYSA-N 1 0 326.783 4.256 20 30 EIEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@](C)(c3ccccc3)C2)c1 ZINC001180161480 1050903811 /nfs/dbraw/zinc/90/38/11/1050903811.db2.gz FCLLYXHQVBCSDD-GMAHTHKFSA-N 1 0 346.474 4.049 20 30 EIEDRO CC(C)(O)C#Cc1cccc(NC2=CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001174394501 1050909833 /nfs/dbraw/zinc/90/98/33/1050909833.db2.gz KAQALSBDJLZZHW-UHFFFAOYSA-N 1 0 346.474 4.011 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC001189278026 1050943799 /nfs/dbraw/zinc/94/37/99/1050943799.db2.gz GNLWMDKZSUJBFF-UHFFFAOYSA-N 1 0 343.515 4.130 20 30 EIEDRO C=CC[N@H+](CC1CCCCC1)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001180291428 1050954635 /nfs/dbraw/zinc/95/46/35/1050954635.db2.gz BGXANQBBGBKEHC-UHFFFAOYSA-N 1 0 348.531 4.454 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)c(Br)c1 ZINC001180349307 1050965743 /nfs/dbraw/zinc/96/57/43/1050965743.db2.gz KUVQJGSFLLDIBL-XQQFMLRXSA-N 1 0 337.261 4.191 20 30 EIEDRO C#CCCCCCC[N@@H+](C)CCOc1ccc(Br)cc1 ZINC001180354239 1050968750 /nfs/dbraw/zinc/96/87/50/1050968750.db2.gz WUHXNNIHAOAXNP-UHFFFAOYSA-N 1 0 338.289 4.343 20 30 EIEDRO CC1(C)CCC[C@@H](C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC001180363817 1050982817 /nfs/dbraw/zinc/98/28/17/1050982817.db2.gz IQHDPHIIIUVTNC-OAQYLSRUSA-N 1 0 339.527 4.282 20 30 EIEDRO N#Cc1cccc(OC2CC[NH+](Cc3cccc4cnccc43)CC2)c1 ZINC000183131014 1050988962 /nfs/dbraw/zinc/98/89/62/1050988962.db2.gz XVQWTGXTNZGSJH-UHFFFAOYSA-N 1 0 343.430 4.150 20 30 EIEDRO CC#CCC[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001180470475 1051010094 /nfs/dbraw/zinc/01/00/94/1051010094.db2.gz UWVNXELLRSXETG-CQSZACIVSA-N 1 0 346.268 4.373 20 30 EIEDRO CCc1ccc2c(c1)[C@@H]([NH2+]C1CC(C#N)(c3ccccc3)C1)CCO2 ZINC001180645715 1051054020 /nfs/dbraw/zinc/05/40/20/1051054020.db2.gz FGTCZNSBEZNMCO-JGBTYHIZSA-N 1 0 332.447 4.286 20 30 EIEDRO CC(C)[C@@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001174572956 1051059383 /nfs/dbraw/zinc/05/93/83/1051059383.db2.gz CABOPWGWDZDQBY-CVDCTZTESA-N 1 0 347.506 4.462 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 ZINC000183337285 1051085244 /nfs/dbraw/zinc/08/52/44/1051085244.db2.gz YRWVWBASEAXJGL-KSSFIOAISA-N 1 0 325.843 4.141 20 30 EIEDRO C[C@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1ccc(C#N)cc1 ZINC001174653240 1051127065 /nfs/dbraw/zinc/12/70/65/1051127065.db2.gz RKKLJMBYTMKWIY-BJOOFOGMSA-N 1 0 346.352 4.143 20 30 EIEDRO C=C(C)Cc1ccc(C(=O)N(C)CC[N@H+](C)Cc2ccccc2)cc1 ZINC001190224204 1051133305 /nfs/dbraw/zinc/13/33/05/1051133305.db2.gz HNKWFRIQZMBDBE-UHFFFAOYSA-N 1 0 336.479 4.009 20 30 EIEDRO CCCCCCC[C@H](C)C(=O)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001181120787 1051157707 /nfs/dbraw/zinc/15/77/07/1051157707.db2.gz KIBYEVJWFDDAQY-INIZCTEOSA-N 1 0 349.494 4.302 20 30 EIEDRO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001174742678 1051160323 /nfs/dbraw/zinc/16/03/23/1051160323.db2.gz PZUCNVWRBXSTCX-QGZVFWFLSA-N 1 0 338.451 4.101 20 30 EIEDRO CCCCC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC001174781792 1051172378 /nfs/dbraw/zinc/17/23/78/1051172378.db2.gz ZYGWEYQHYWGNSR-GOSISDBHSA-N 1 0 327.472 4.322 20 30 EIEDRO C=CCC[C@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000121380849 1051182190 /nfs/dbraw/zinc/18/21/90/1051182190.db2.gz QGOZUBCATKZRBO-NRFANRHFSA-N 1 0 327.516 4.056 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)C1 ZINC001181284755 1051196182 /nfs/dbraw/zinc/19/61/82/1051196182.db2.gz DOCPDQMUSIHCIU-NJAFHUGGSA-N 1 0 336.520 4.404 20 30 EIEDRO C#CC[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000775400944 1051223955 /nfs/dbraw/zinc/22/39/55/1051223955.db2.gz UOEOSJQQKAJHMX-MRXNPFEDSA-N 1 0 347.245 4.286 20 30 EIEDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775401521 1051237479 /nfs/dbraw/zinc/23/74/79/1051237479.db2.gz QWGIZBJTUQODDQ-OREJSRFESA-N 1 0 338.426 4.177 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001181556416 1051252045 /nfs/dbraw/zinc/25/20/45/1051252045.db2.gz VUWQMBKOZJLBQM-UHFFFAOYSA-N 1 0 333.479 4.407 20 30 EIEDRO C#CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000775404521 1051259011 /nfs/dbraw/zinc/25/90/11/1051259011.db2.gz PFWAIVHXDDCFPF-ROUUACIJSA-N 1 0 334.246 4.381 20 30 EIEDRO C=C1CC(C(=O)N2CCC3(C[NH+](C[C@H](CC)CCCC)C3)CC2)C1 ZINC001272708699 1051264187 /nfs/dbraw/zinc/26/41/87/1051264187.db2.gz AZDNALQNEBSEQZ-GOSISDBHSA-N 1 0 332.532 4.093 20 30 EIEDRO CC[C@H](OCC[N@@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001175062059 1051314803 /nfs/dbraw/zinc/31/48/03/1051314803.db2.gz MOKQBHZLLFVTPH-QFIPXVFZSA-N 1 0 334.463 4.279 20 30 EIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2C)c(C#N)c1C ZINC000183734566 1051323636 /nfs/dbraw/zinc/32/36/36/1051323636.db2.gz OAOVLLWCAJCUHJ-LSDHHAIUSA-N 1 0 339.439 4.063 20 30 EIEDRO C#CCCCCCC[NH2+]CCC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001181842336 1051327379 /nfs/dbraw/zinc/32/73/79/1051327379.db2.gz HEUAIAUFSCPLPS-GOSISDBHSA-N 1 0 336.520 4.339 20 30 EIEDRO CC(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC001191021456 1051328522 /nfs/dbraw/zinc/32/85/22/1051328522.db2.gz GQGRABUHZWWVCE-OAHLLOKOSA-N 1 0 347.890 4.298 20 30 EIEDRO CC(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC001191022777 1051331015 /nfs/dbraw/zinc/33/10/15/1051331015.db2.gz XLDUQHBIEMSEKJ-HNNXBMFYSA-N 1 0 347.890 4.298 20 30 EIEDRO CCCCCCCCNC(=O)N(C)CC1CC[NH+](C(C)C)CC1 ZINC001191061083 1051336920 /nfs/dbraw/zinc/33/69/20/1051336920.db2.gz IPZMUOREHYCQHS-UHFFFAOYSA-N 1 0 325.541 4.109 20 30 EIEDRO CCCCCCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001191082053 1051347840 /nfs/dbraw/zinc/34/78/40/1051347840.db2.gz QSXBFAMLUFIRNC-UHFFFAOYSA-N 1 0 331.504 4.052 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC001191131824 1051377035 /nfs/dbraw/zinc/37/70/35/1051377035.db2.gz HWNIVEAEPVBQNG-CYBMUJFWSA-N 1 0 349.475 4.441 20 30 EIEDRO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC001191454396 1051447261 /nfs/dbraw/zinc/44/72/61/1051447261.db2.gz NURTVQYOAXCMPG-RXVVDRJESA-N 1 0 347.462 4.012 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(OC(C)C)cc1)c1ccc(C#N)cc1 ZINC000774199708 1051497739 /nfs/dbraw/zinc/49/77/39/1051497739.db2.gz AWECLSZMUKVZFX-SFTDATJTSA-N 1 0 338.451 4.120 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H](C)c2cc(C)oc2C)cc(OC)c1OC ZINC000774239026 1051512819 /nfs/dbraw/zinc/51/28/19/1051512819.db2.gz GOWOXNZQIYVEGX-CQSZACIVSA-N 1 0 329.440 4.493 20 30 EIEDRO C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001191774813 1051532921 /nfs/dbraw/zinc/53/29/21/1051532921.db2.gz ZVBHYYSEPXKHEU-FDDCHVKYSA-N 1 0 345.490 4.119 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000774264762 1051534555 /nfs/dbraw/zinc/53/45/55/1051534555.db2.gz BSUOXWNKEBQTAB-MSOLQXFVSA-N 1 0 332.806 4.125 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1 ZINC001191741192 1051536821 /nfs/dbraw/zinc/53/68/21/1051536821.db2.gz IAPDLQWKJJWUKK-PMACEKPBSA-N 1 0 342.389 4.097 20 30 EIEDRO CC[C@H](Nc1ccc(N2CC[NH+](CC)CC2)cc1)c1ccc(C#N)cc1 ZINC000774274470 1051543309 /nfs/dbraw/zinc/54/33/09/1051543309.db2.gz UHEITEBOWZAGSK-QFIPXVFZSA-N 1 0 348.494 4.263 20 30 EIEDRO COc1cccc(CC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC001175351954 1051543342 /nfs/dbraw/zinc/54/33/42/1051543342.db2.gz NJKLMSLYFLCYBM-UHFFFAOYSA-N 1 0 337.438 4.141 20 30 EIEDRO CC[C@@H](Nc1ccc(N2CC[NH+](CC)CC2)cc1)c1ccc(C#N)cc1 ZINC000774274464 1051543689 /nfs/dbraw/zinc/54/36/89/1051543689.db2.gz UHEITEBOWZAGSK-JOCHJYFZSA-N 1 0 348.494 4.263 20 30 EIEDRO C=CCC1([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CCCCC1 ZINC001175372136 1051558034 /nfs/dbraw/zinc/55/80/34/1051558034.db2.gz RMZGMHAZHLCWSP-QGZVFWFLSA-N 1 0 341.417 4.477 20 30 EIEDRO CCCCCCC[C@@H](C)CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001182442424 1051564379 /nfs/dbraw/zinc/56/43/79/1051564379.db2.gz VLDTTXPGWDWUHT-MSOLQXFVSA-N 1 0 331.504 4.021 20 30 EIEDRO C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC001182520954 1051631274 /nfs/dbraw/zinc/63/12/74/1051631274.db2.gz LMZSBHYXWGHYQA-HXUWFJFHSA-N 1 0 326.390 4.434 20 30 EIEDRO N#Cc1c(F)cc(NC2=CC[N@H+](Cc3ccccc3)CC2)cc1F ZINC001175507866 1051642780 /nfs/dbraw/zinc/64/27/80/1051642780.db2.gz XQCFMUWTJADFGV-UHFFFAOYSA-N 1 0 325.362 4.038 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cn2)cc(OC)c1OC ZINC000775520360 1051696243 /nfs/dbraw/zinc/69/62/43/1051696243.db2.gz YWTJRXVCKAUBJX-ZDUSSCGKSA-N 1 0 346.858 4.332 20 30 EIEDRO C=CC[C@@H]1CCC[N@H+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)C1 ZINC001182796039 1051700132 /nfs/dbraw/zinc/70/01/32/1051700132.db2.gz OLZXKCUXXDCXPD-QGZVFWFLSA-N 1 0 338.451 4.160 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCCCCc1ccccc1 ZINC001182919118 1051731477 /nfs/dbraw/zinc/73/14/77/1051731477.db2.gz VFVITIZKINZOQU-IBGZPJMESA-N 1 0 328.500 4.478 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3cccc(Cl)c3C#N)cc2)CC1 ZINC001175781195 1051783775 /nfs/dbraw/zinc/78/37/75/1051783775.db2.gz FOEMECHLFMJPIP-UHFFFAOYSA-N 1 0 340.858 4.097 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)OC)o2)C1 ZINC001183065838 1051784872 /nfs/dbraw/zinc/78/48/72/1051784872.db2.gz PYRXJPHORVXAGC-OAHLLOKOSA-N 1 0 325.408 4.131 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001192954125 1051836523 /nfs/dbraw/zinc/83/65/23/1051836523.db2.gz ZTPCLEKZPYCRCQ-FGTMMUONSA-N 1 0 325.541 4.153 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)N(C(C)C)C1CC[NH+](C)CC1 ZINC001192938814 1051841157 /nfs/dbraw/zinc/84/11/57/1051841157.db2.gz UMQITKCHZLNDJJ-KRWDZBQOSA-N 1 0 325.541 4.250 20 30 EIEDRO CC(C)c1cc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(C#N)c3)C2)[nH]n1 ZINC001175925835 1051845659 /nfs/dbraw/zinc/84/56/59/1051845659.db2.gz NIWOXOKFTHBMHP-INIZCTEOSA-N 1 0 342.874 4.438 20 30 EIEDRO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC001193011493 1051851434 /nfs/dbraw/zinc/85/14/34/1051851434.db2.gz JFBXOAYBVPWJQR-CQSZACIVSA-N 1 0 341.842 4.118 20 30 EIEDRO N#CC1(CC[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CCCCC1 ZINC001193011490 1051851895 /nfs/dbraw/zinc/85/18/95/1051851895.db2.gz JEKVGPIHHIIIAG-GOSISDBHSA-N 1 0 336.483 4.365 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc3ccc(Br)cc3c2)C1 ZINC001183561818 1051862105 /nfs/dbraw/zinc/86/21/05/1051862105.db2.gz VSSGCRQAMPMJJK-SJCJKPOMSA-N 1 0 329.241 4.384 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001183532969 1051864241 /nfs/dbraw/zinc/86/42/41/1051864241.db2.gz ITROWCXDDZEYDY-IBGZPJMESA-N 1 0 347.506 4.367 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1)[C@@H]1CCCO1 ZINC000775573968 1051869340 /nfs/dbraw/zinc/86/93/40/1051869340.db2.gz MDWZURYOBSAEOD-PJODQICGSA-N 1 0 332.494 4.011 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1)[C@H]1CCCO1 ZINC000775574575 1051870474 /nfs/dbraw/zinc/87/04/74/1051870474.db2.gz RAXDHNFHIDQDSV-XUEUYAKLSA-N 1 0 335.447 4.194 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001183597769 1051873527 /nfs/dbraw/zinc/87/35/27/1051873527.db2.gz SLXLBXOMXRAGBV-MSOLQXFVSA-N 1 0 343.515 4.338 20 30 EIEDRO N#Cc1cccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1F ZINC000774660271 1051880236 /nfs/dbraw/zinc/88/02/36/1051880236.db2.gz RBKASYCLYHISDJ-ROUUACIJSA-N 1 0 342.414 4.159 20 30 EIEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001183673726 1051881775 /nfs/dbraw/zinc/88/17/75/1051881775.db2.gz SKFMXYOIILPTRL-UHFFFAOYSA-N 1 0 340.467 4.454 20 30 EIEDRO CC[C@H]1C[N@H+](CCCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC001193208765 1051885214 /nfs/dbraw/zinc/88/52/14/1051885214.db2.gz DAZVHTZKJRCMAX-FQEVSTJZSA-N 1 0 327.516 4.303 20 30 EIEDRO C#CCCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001193226200 1051892051 /nfs/dbraw/zinc/89/20/51/1051892051.db2.gz VBEJESARBIYTSE-ROUUACIJSA-N 1 0 336.520 4.195 20 30 EIEDRO C=C1CCC(C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C2)CC1 ZINC001183740411 1051893270 /nfs/dbraw/zinc/89/32/70/1051893270.db2.gz NXUOEARZHSVPAC-OWCLPIDISA-N 1 0 347.421 4.233 20 30 EIEDRO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2CC2(O)CCCCC2)cc1 ZINC001176061957 1051899831 /nfs/dbraw/zinc/89/98/31/1051899831.db2.gz LPTFMROOIFKFIF-HXUWFJFHSA-N 1 0 326.484 4.192 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1cc2ccccc2s1 ZINC000184373165 1051928418 /nfs/dbraw/zinc/92/84/18/1051928418.db2.gz HKSATQHXIYYVOR-ZDUSSCGKSA-N 1 0 335.432 4.062 20 30 EIEDRO C[C@]1(c2ccccc2)CC[C@H]([N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)C1 ZINC001184046063 1051945044 /nfs/dbraw/zinc/94/50/44/1051945044.db2.gz SGWPLNCCTZWWRH-VABKMULXSA-N 1 0 346.474 4.442 20 30 EIEDRO C[C@H]1C[C@H]([NH+]2CCC3(CC2)CC(=O)C=CO3)c2ccsc2S1 ZINC001184054689 1051947225 /nfs/dbraw/zinc/94/72/25/1051947225.db2.gz IYDZKTHGMQHELT-WFASDCNBSA-N 1 0 335.494 4.011 20 30 EIEDRO COC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)C3(CCCCC3)C2)c1C#N ZINC001193637489 1051963172 /nfs/dbraw/zinc/96/31/72/1051963172.db2.gz XXJYACAZYXVEOG-MRXNPFEDSA-N 1 0 340.467 4.137 20 30 EIEDRO C=CCC[C@H](CC)[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC001184198021 1051963209 /nfs/dbraw/zinc/96/32/09/1051963209.db2.gz UYHRUAHVUKTXTG-AOCRQIFASA-N 1 0 341.417 4.346 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2cc(Br)cc(F)c2C#N)cc1 ZINC001176295642 1051981469 /nfs/dbraw/zinc/98/14/69/1051981469.db2.gz JYXXXWDTUXESMS-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO C#CCCCCCC[N@H+]1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC001193754106 1051990944 /nfs/dbraw/zinc/99/09/44/1051990944.db2.gz PYUFKSIVBLFEDC-FQEVSTJZSA-N 1 0 342.527 4.175 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC001184451735 1052014950 /nfs/dbraw/zinc/01/49/50/1052014950.db2.gz NMNRNEIWSKRCRP-ABAIWWIYSA-N 1 0 348.796 4.008 20 30 EIEDRO CCCCCCCOC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001194019909 1052050358 /nfs/dbraw/zinc/05/03/58/1052050358.db2.gz USTWDSGXVUSKCX-UHFFFAOYSA-N 1 0 348.487 4.053 20 30 EIEDRO CCC1(CC)[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OC ZINC001194090464 1052082426 /nfs/dbraw/zinc/08/24/26/1052082426.db2.gz HZCOHPYZQUCAKQ-IRXDYDNUSA-N 1 0 339.401 4.240 20 30 EIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc(C#N)c3ccsc32)C1 ZINC001184927984 1052131772 /nfs/dbraw/zinc/13/17/72/1052131772.db2.gz SHDOBPULHWTULQ-FMKPAKJESA-N 1 0 340.496 4.010 20 30 EIEDRO Cc1nc(NCCCCCCC[NH+]2CCCC2)c(Cl)cc1C#N ZINC001185046242 1052160275 /nfs/dbraw/zinc/16/02/75/1052160275.db2.gz JZNRSQVYAMYCJW-UHFFFAOYSA-N 1 0 334.895 4.373 20 30 EIEDRO Cc1cc(F)c(C#N)c(NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC001185106044 1052175721 /nfs/dbraw/zinc/17/57/21/1052175721.db2.gz GAIWVGXRGXLNAP-UHFFFAOYSA-N 1 0 343.471 4.391 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001176855715 1052202930 /nfs/dbraw/zinc/20/29/30/1052202930.db2.gz GRYFRVRDXSDYQM-MJGOQNOKSA-N 1 0 326.484 4.126 20 30 EIEDRO Cc1nsc(NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c1C#N ZINC001185273687 1052207195 /nfs/dbraw/zinc/20/71/95/1052207195.db2.gz VPDILHBGWKPZNK-AWEZNQCLSA-N 1 0 340.496 4.399 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)ccc1C#N ZINC000774913990 1052282471 /nfs/dbraw/zinc/28/24/71/1052282471.db2.gz UGGQVVYDXCXIKT-NHCUHLMSSA-N 1 0 338.426 4.094 20 30 EIEDRO C=CCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000172421315 1052497131 /nfs/dbraw/zinc/49/71/31/1052497131.db2.gz LOOQJWKWYWLSCA-CYBMUJFWSA-N 1 0 328.378 4.321 20 30 EIEDRO Cc1ccccc1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000072726403 1052580895 /nfs/dbraw/zinc/58/08/95/1052580895.db2.gz UHHFPKGGNHHWMM-UHFFFAOYSA-N 1 0 344.462 4.105 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(Br)cc2)CC1 ZINC000177313732 1052676810 /nfs/dbraw/zinc/67/68/10/1052676810.db2.gz VZUJRZKMFCYYEL-AWEZNQCLSA-N 1 0 337.305 4.140 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)c2ccccn2)cc1OC ZINC000623562623 1052681022 /nfs/dbraw/zinc/68/10/22/1052681022.db2.gz XAUVWCGLVCVEBL-CQSZACIVSA-N 1 0 346.858 4.202 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)c2ccc(C)cn2)cc1OC ZINC000623647324 1052694210 /nfs/dbraw/zinc/69/42/10/1052694210.db2.gz BJVQNCZXHXHWGE-UHFFFAOYSA-N 1 0 340.467 4.031 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000623889326 1052833730 /nfs/dbraw/zinc/83/37/30/1052833730.db2.gz KNBKROAFKCZXRI-LBPRGKRZSA-N 1 0 330.369 4.146 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000184351288 1052998370 /nfs/dbraw/zinc/99/83/70/1052998370.db2.gz LDHBJFNCZMJJAV-LRDDRELGSA-N 1 0 334.460 4.235 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000185024878 1053011212 /nfs/dbraw/zinc/01/12/12/1053011212.db2.gz ZNBRIXUBNNUEQU-CYBMUJFWSA-N 1 0 327.394 4.014 20 30 EIEDRO CCCCCCCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC001194731011 1053076203 /nfs/dbraw/zinc/07/62/03/1053076203.db2.gz AIZPOZLNXRYFQC-MRXNPFEDSA-N 1 0 328.294 4.433 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]C[C@H](O)c3ccc4ccccc4c3)cc2)CC1 ZINC000850129586 1053076256 /nfs/dbraw/zinc/07/62/56/1053076256.db2.gz UXHGKNSETAYBAW-QFIPXVFZSA-N 1 0 342.442 4.218 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000850137529 1053078900 /nfs/dbraw/zinc/07/89/00/1053078900.db2.gz QCHOOTFKSGLVLO-FQEVSTJZSA-N 1 0 345.446 4.213 20 30 EIEDRO CCCCCCCCOC(=O)NCC1C[NH+](Cc2ccccc2)C1 ZINC001194747804 1053080640 /nfs/dbraw/zinc/08/06/40/1053080640.db2.gz IGNWTLITGAKFGS-UHFFFAOYSA-N 1 0 332.488 4.205 20 30 EIEDRO CC[NH+](CC)CCOc1ccc(NCc2cccc(F)c2C#N)cc1 ZINC000864001437 1053122113 /nfs/dbraw/zinc/12/21/13/1053122113.db2.gz CEMJGMDKWNCERK-UHFFFAOYSA-N 1 0 341.430 4.030 20 30 EIEDRO C=C(C)CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 ZINC000775617045 1053136501 /nfs/dbraw/zinc/13/65/01/1053136501.db2.gz JDPPYFNBAUKDDE-NRFANRHFSA-N 1 0 325.452 4.197 20 30 EIEDRO CCCC[C@@H](C)[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001194875507 1053138301 /nfs/dbraw/zinc/13/83/01/1053138301.db2.gz ZNHDEOODKFVFGN-MRXNPFEDSA-N 1 0 349.906 4.406 20 30 EIEDRO N#C[C@@H]1CCCN(Cc2cc(Cl)ccc2Br)CC1 ZINC001137526420 1053208391 /nfs/dbraw/zinc/20/83/91/1053208391.db2.gz OIJKKRYCJLRQQW-LLVKDONJSA-N 1 0 327.653 4.228 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1cncc(Br)c1)c1ccncc1 ZINC000850435407 1053211190 /nfs/dbraw/zinc/21/11/90/1053211190.db2.gz NLQFDEGVYAHQKK-LRDDRELGSA-N 1 0 332.245 4.207 20 30 EIEDRO N#CC1(C[C@H](O)C[N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CCC1 ZINC001194983954 1053216819 /nfs/dbraw/zinc/21/68/19/1053216819.db2.gz NVIDRANNLREDNE-VQTJNVASSA-N 1 0 338.495 4.439 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000850483581 1053257504 /nfs/dbraw/zinc/25/75/04/1053257504.db2.gz ZOJVBPWDKMKZIM-ZNMIVQPWSA-N 1 0 335.879 4.177 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@H](C)c2c(F)cncc2F)c(O)c1 ZINC000794676984 1053258569 /nfs/dbraw/zinc/25/85/69/1053258569.db2.gz RMZVARVWEAPXHZ-PIDKYCEWSA-N 1 0 333.382 4.092 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2c(Cl)cccc2OC(F)F)CC1 ZINC000112710290 1053286619 /nfs/dbraw/zinc/28/66/19/1053286619.db2.gz PWJSOYIBSYIWMJ-UHFFFAOYSA-N 1 0 344.833 4.072 20 30 EIEDRO C[C@@H]([NH2+]CCc1nsc2ccccc12)c1ccc(OCC#N)cc1 ZINC000850561277 1053317363 /nfs/dbraw/zinc/31/73/63/1053317363.db2.gz MWBJKMPSZBTNNF-CQSZACIVSA-N 1 0 337.448 4.092 20 30 EIEDRO COc1cccc(C2([NH2+][C@H](C)c3ccc(OCC#N)cc3)CCC2)c1 ZINC000850565465 1053321023 /nfs/dbraw/zinc/32/10/23/1053321023.db2.gz BZNZOIJMWMCXEO-MRXNPFEDSA-N 1 0 336.435 4.328 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccco1 ZINC000850581202 1053332359 /nfs/dbraw/zinc/33/23/59/1053332359.db2.gz VDROTVIMUGNQAI-HUUCEWRRSA-N 1 0 325.330 4.027 20 30 EIEDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC001195376476 1053394330 /nfs/dbraw/zinc/39/43/30/1053394330.db2.gz LGDVNHTWRBLYGL-FQEVSTJZSA-N 1 0 347.462 4.360 20 30 EIEDRO C#C[C@@H]1CCCN(CC(=O)Nc2ccccc2Oc2ccc(C)cc2)C1 ZINC001195566519 1053437181 /nfs/dbraw/zinc/43/71/81/1053437181.db2.gz JYVUXCAIEFPNHP-GOSISDBHSA-N 1 0 348.446 4.071 20 30 EIEDRO Cc1cc(C)cc(NC(=[NH2+])NCCc2csc(C(C)(C)C)n2)c1 ZINC000120465624 1053454640 /nfs/dbraw/zinc/45/46/40/1053454640.db2.gz XOTAENHYEQMBAT-UHFFFAOYSA-N 1 0 330.501 4.027 20 30 EIEDRO COCc1ccc(C[NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)o1 ZINC000765252099 1053475390 /nfs/dbraw/zinc/47/53/90/1053475390.db2.gz QMHCEBXNFDUOAO-UHFFFAOYSA-N 1 0 338.432 4.316 20 30 EIEDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000765330805 1053506236 /nfs/dbraw/zinc/50/62/36/1053506236.db2.gz KIMOABWTKWFZRU-HOTGVXAUSA-N 1 0 330.435 4.464 20 30 EIEDRO C[N@H+](CCCc1cccc2ccccc21)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877292 1053513907 /nfs/dbraw/zinc/51/39/07/1053513907.db2.gz UVFJQEXLEWPQFC-HSZRJFAPSA-N 1 0 344.458 4.309 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OC)cc1 ZINC000765406326 1053536630 /nfs/dbraw/zinc/53/66/30/1053536630.db2.gz UXSDYHDEWYSIQY-CQSZACIVSA-N 1 0 329.827 4.211 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC001196056578 1053563262 /nfs/dbraw/zinc/56/32/62/1053563262.db2.gz LUVDYBBOHOTYAX-HKBOAZHASA-N 1 0 342.527 4.267 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C2CC[NH+](CCCCC#N)CC2)C1 ZINC000852294460 1053565125 /nfs/dbraw/zinc/56/51/25/1053565125.db2.gz YLQGEOWXOCOIKQ-GOSISDBHSA-N 1 0 349.519 4.039 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)NCc1ccccc1Cl ZINC001196057979 1053565998 /nfs/dbraw/zinc/56/59/98/1053565998.db2.gz UKMIYCDQIDSMSU-YJBOKZPZSA-N 1 0 334.891 4.071 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCC(=O)Nc1ccccc1C(C)=O ZINC001196058043 1053566102 /nfs/dbraw/zinc/56/61/02/1053566102.db2.gz WHSGZTRGZPDKQK-HKUYNNGSSA-N 1 0 342.483 4.332 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2oc(C(=O)OC)cc2c1 ZINC001196057346 1053566185 /nfs/dbraw/zinc/56/61/85/1053566185.db2.gz REDBNBKVTQTOOR-RDJZCZTQSA-N 1 0 327.424 4.444 20 30 EIEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000852300427 1053566783 /nfs/dbraw/zinc/56/67/83/1053566783.db2.gz HXDSBDRTZVTOQL-WMZOPIPTSA-N 1 0 349.519 4.038 20 30 EIEDRO CC(C)([NH2+]CC(=O)Nc1ccc2ccccc2c1)c1cccc(C#N)c1 ZINC001196039963 1053569464 /nfs/dbraw/zinc/56/94/64/1053569464.db2.gz RZJCWMJBHFPMKA-UHFFFAOYSA-N 1 0 343.430 4.175 20 30 EIEDRO CC(C)([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cccc(C#N)c1 ZINC000852355007 1053574110 /nfs/dbraw/zinc/57/41/10/1053574110.db2.gz ZPXBVCWHJJHOFH-UHFFFAOYSA-N 1 0 339.826 4.139 20 30 EIEDRO C[C@@H]1CCC[N@H+](CCCCC#N)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000852598287 1053593274 /nfs/dbraw/zinc/59/32/74/1053593274.db2.gz QCNORXZLVCRPOJ-IAGOWNOFSA-N 1 0 337.508 4.086 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)cc1 ZINC000865831997 1053603542 /nfs/dbraw/zinc/60/35/42/1053603542.db2.gz GDEVLDIKXKHFHR-IAGOWNOFSA-N 1 0 337.389 4.023 20 30 EIEDRO CC(C)C[N@H+](CCO[C@H](C)C#N)Cc1cccc(C(F)(F)F)c1 ZINC001196470272 1053673856 /nfs/dbraw/zinc/67/38/56/1053673856.db2.gz NRLXGHARCBVNDZ-CQSZACIVSA-N 1 0 328.378 4.092 20 30 EIEDRO COC[C@@H](C)[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001196646621 1053715667 /nfs/dbraw/zinc/71/56/67/1053715667.db2.gz MUGAEUTZXRKTNC-QVKFZJNVSA-N 1 0 338.426 4.222 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)s1 ZINC000866446977 1053732665 /nfs/dbraw/zinc/73/26/65/1053732665.db2.gz VUQGQACWBKSSBG-HNNXBMFYSA-N 1 0 325.481 4.248 20 30 EIEDRO CSCC1CCC([NH2+]C2CCN(c3ccccc3C#N)CC2)CC1 ZINC000866448938 1053733948 /nfs/dbraw/zinc/73/39/48/1053733948.db2.gz OGHRGZHSDXEPGF-UHFFFAOYSA-N 1 0 343.540 4.038 20 30 EIEDRO CCCCCCC[NH+]1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000854102953 1053756039 /nfs/dbraw/zinc/75/60/39/1053756039.db2.gz JIFCHRPHILNAEG-UHFFFAOYSA-N 1 0 341.503 4.027 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC000866548929 1053781014 /nfs/dbraw/zinc/78/10/14/1053781014.db2.gz WDUPUAWOXLGMIT-OWCLPIDISA-N 1 0 334.460 4.180 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCc2ccccc2O)cc1 ZINC000765621464 1053821505 /nfs/dbraw/zinc/82/15/05/1053821505.db2.gz VGQADUSOXZDPNI-OAHLLOKOSA-N 1 0 331.843 4.417 20 30 EIEDRO CCCCCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000776747421 1053823796 /nfs/dbraw/zinc/82/37/96/1053823796.db2.gz XRCRUIXSNVADPG-CYBMUJFWSA-N 1 0 333.444 4.304 20 30 EIEDRO C[C@H]1C[C@H](CC[NH+]2CCN(c3ccc(C#N)cc3)CC2)C[C@@H](C)C1 ZINC001197033872 1053828663 /nfs/dbraw/zinc/82/86/63/1053828663.db2.gz ZJLIQWWGUSEKGQ-RUYXUALKSA-N 1 0 325.500 4.143 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCCCc2nc(C)cs2)cc1 ZINC000765659206 1053832378 /nfs/dbraw/zinc/83/23/78/1053832378.db2.gz UDFDOHGHHIJQBJ-INIZCTEOSA-N 1 0 328.481 4.137 20 30 EIEDRO C[C@H](CC1CCCCC1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552278005 1053846630 /nfs/dbraw/zinc/84/66/30/1053846630.db2.gz QKIAXXUOWKNLCL-QGZVFWFLSA-N 1 0 325.500 4.476 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)ccc1F ZINC000121779144 1053847824 /nfs/dbraw/zinc/84/78/24/1053847824.db2.gz LLSPOUMBOVUFHF-MJGOQNOKSA-N 1 0 342.414 4.159 20 30 EIEDRO C[C@@H](C#N)OCC[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000801939822 1053855019 /nfs/dbraw/zinc/85/50/19/1053855019.db2.gz WBKANRBKMDKKND-LBPRGKRZSA-N 1 0 325.239 4.011 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(F)cc(Cl)c2)c1 ZINC000776800387 1053891137 /nfs/dbraw/zinc/89/11/37/1053891137.db2.gz MQPJWYPBFPIBJS-KRWDZBQOSA-N 1 0 332.806 4.450 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000429518363 1053891466 /nfs/dbraw/zinc/89/14/66/1053891466.db2.gz LUXJWBWMEITAJB-QFIPXVFZSA-N 1 0 338.470 4.350 20 30 EIEDRO C=CCCC[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1 ZINC001197378357 1053898233 /nfs/dbraw/zinc/89/82/33/1053898233.db2.gz XQVZTBXDAVASGA-NHCUHLMSSA-N 1 0 327.443 4.416 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc2ncsc2c1 ZINC000776807281 1053907005 /nfs/dbraw/zinc/90/70/05/1053907005.db2.gz GEUIFKIBCBFVSF-UONOGXRCSA-N 1 0 337.448 4.438 20 30 EIEDRO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001197785138 1053995340 /nfs/dbraw/zinc/99/53/40/1053995340.db2.gz BDMJMIQORWKTMT-INIZCTEOSA-N 1 0 342.446 4.143 20 30 EIEDRO N#CC1CCC(C[NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC000930161967 1054002784 /nfs/dbraw/zinc/00/27/84/1054002784.db2.gz DMOXAXWJIISFOR-UHFFFAOYSA-N 1 0 330.447 4.137 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(OC(C)C)c2)c1 ZINC000113961482 1054034283 /nfs/dbraw/zinc/03/42/83/1054034283.db2.gz WQVMGAPPDXVCLZ-LJQANCHMSA-N 1 0 338.451 4.445 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC001197992044 1054052837 /nfs/dbraw/zinc/05/28/37/1054052837.db2.gz VUSMQGRQUGGRQD-FQEVSTJZSA-N 1 0 328.415 4.497 20 30 EIEDRO CC1(C)[C@@H](c2ccc(Cl)cc2)CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001198026854 1054060036 /nfs/dbraw/zinc/06/00/36/1054060036.db2.gz JLNHSPNOWZRXPX-GOSISDBHSA-N 1 0 325.843 4.375 20 30 EIEDRO C#CC[N@@H+](C[C@@H](Cc1ccccc1)OC)[C@H]1CCCc2ccccc21 ZINC001198104764 1054079045 /nfs/dbraw/zinc/07/90/45/1054079045.db2.gz RPVCRJTYGZYTEC-GGAORHGYSA-N 1 0 333.475 4.257 20 30 EIEDRO COc1cccc(C(C)(C)C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000121506187 1054094538 /nfs/dbraw/zinc/09/45/38/1054094538.db2.gz OIINXMCBIMEPJA-MRXNPFEDSA-N 1 0 338.451 4.053 20 30 EIEDRO COc1cccc(C(C)(C)C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000121506024 1054095037 /nfs/dbraw/zinc/09/50/37/1054095037.db2.gz OIINXMCBIMEPJA-INIZCTEOSA-N 1 0 338.451 4.053 20 30 EIEDRO CCOC(=O)CC(C)(C)CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001198210115 1054095520 /nfs/dbraw/zinc/09/55/20/1054095520.db2.gz FCUUXCAUKVKSRB-UHFFFAOYSA-N 1 0 342.483 4.107 20 30 EIEDRO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC001198309986 1054128815 /nfs/dbraw/zinc/12/88/15/1054128815.db2.gz NKIBPYHOTHCBEC-OAQYLSRUSA-N 1 0 342.483 4.201 20 30 EIEDRO C=CCC[C@H]1CCC[N@H+]1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198405852 1054138915 /nfs/dbraw/zinc/13/89/15/1054138915.db2.gz BNWQNKUSJWGBAI-MSOLQXFVSA-N 1 0 336.520 4.454 20 30 EIEDRO CC(C)(C)[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC001198800465 1054272583 /nfs/dbraw/zinc/27/25/83/1054272583.db2.gz LMDACRKXKHVRDX-QGZVFWFLSA-N 1 0 339.401 4.194 20 30 EIEDRO C=CCOc1cccc(C[NH2+]CCSCc2ccccc2F)c1 ZINC001198900137 1054294190 /nfs/dbraw/zinc/29/41/90/1054294190.db2.gz GEENZSBLEOVFQC-UHFFFAOYSA-N 1 0 331.456 4.414 20 30 EIEDRO CCc1ccc([C@H](C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)N(C)C)cc1 ZINC001198970568 1054314016 /nfs/dbraw/zinc/31/40/16/1054314016.db2.gz ZGEWFZYPAUHMHP-QFIPXVFZSA-N 1 0 349.522 4.443 20 30 EIEDRO Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000871877186 1054316741 /nfs/dbraw/zinc/31/67/41/1054316741.db2.gz AISFQGIIPLCHCC-KBPBESRZSA-N 1 0 341.842 4.198 20 30 EIEDRO Cc1cccc(Cl)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000871877187 1054317570 /nfs/dbraw/zinc/31/75/70/1054317570.db2.gz AISFQGIIPLCHCC-KGLIPLIRSA-N 1 0 341.842 4.198 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000872045483 1054360553 /nfs/dbraw/zinc/36/05/53/1054360553.db2.gz MRRPMUBOGIPSMF-LMMKCTJWSA-N 1 0 330.472 4.051 20 30 EIEDRO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cc(C)nc2c1CCCC2)C(C)C ZINC001199196929 1054361112 /nfs/dbraw/zinc/36/11/12/1054361112.db2.gz CILWUKLWWFWSSM-QFIPXVFZSA-N 1 0 341.543 4.057 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)CCCC2 ZINC000872074850 1054378728 /nfs/dbraw/zinc/37/87/28/1054378728.db2.gz JEMRREFTCQENRK-ZVZYQTTQSA-N 1 0 328.456 4.143 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(Cl)c(OC)c2)c1 ZINC000858137166 1054420190 /nfs/dbraw/zinc/42/01/90/1054420190.db2.gz ICCOMALERQEXLR-INIZCTEOSA-N 1 0 344.842 4.319 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872261859 1054427072 /nfs/dbraw/zinc/42/70/72/1054427072.db2.gz INZCHCNMEDMPCQ-FQEVSTJZSA-N 1 0 342.483 4.293 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc1 ZINC000858236963 1054442674 /nfs/dbraw/zinc/44/26/74/1054442674.db2.gz FBMDCRWNZNPHFK-OAQYLSRUSA-N 1 0 334.467 4.062 20 30 EIEDRO COc1ccc(C(C)(C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cc1F ZINC000858258092 1054449307 /nfs/dbraw/zinc/44/93/07/1054449307.db2.gz UUIMRSFFWOYCBY-AWEZNQCLSA-N 1 0 342.414 4.150 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)cc1 ZINC000777014177 1054454110 /nfs/dbraw/zinc/45/41/10/1054454110.db2.gz ZTEDNEHVVAMVGZ-BXUZGUMPSA-N 1 0 337.769 4.046 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]CCc2c[nH]c3cc(F)ccc23)cc1 ZINC001199917204 1054494087 /nfs/dbraw/zinc/49/40/87/1054494087.db2.gz SJKNNWSBZYVTST-UHFFFAOYSA-N 1 0 335.426 4.440 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc3ncccc3c2)cc(OC)c1OC ZINC000105478350 1054525255 /nfs/dbraw/zinc/52/52/55/1054525255.db2.gz RWKUIYGFECZHCC-UHFFFAOYSA-N 1 0 348.446 4.270 20 30 EIEDRO CCCCCCC[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000859769328 1054726578 /nfs/dbraw/zinc/72/65/78/1054726578.db2.gz ORWGAWVKBCXDNW-UHFFFAOYSA-N 1 0 349.519 4.189 20 30 EIEDRO C[C@@H]([NH2+]CCCSc1ccccc1)c1ccc(OCC#N)cc1 ZINC000776154056 1054755223 /nfs/dbraw/zinc/75/52/23/1054755223.db2.gz MVNUJKUAGGTBBG-MRXNPFEDSA-N 1 0 326.465 4.422 20 30 EIEDRO COc1cccc([C@@H](O)C2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000860136086 1054775047 /nfs/dbraw/zinc/77/50/47/1054775047.db2.gz WLBXDNVKYHPONJ-FQEVSTJZSA-N 1 0 344.499 4.161 20 30 EIEDRO CCC1(CC)[C@H]([NH2+][C@H](C)c2ccc(OCC#N)cc2)[C@H](C)[C@@H]1OC ZINC000776163229 1054776735 /nfs/dbraw/zinc/77/67/35/1054776735.db2.gz GLBCTORQQXLZTF-SFUIVIKGSA-N 1 0 330.472 4.079 20 30 EIEDRO CSCc1cc(F)ccc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000776162947 1054788325 /nfs/dbraw/zinc/78/83/25/1054788325.db2.gz CJSCRONPNSYAAI-CQSZACIVSA-N 1 0 344.455 4.442 20 30 EIEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000776167178 1054800567 /nfs/dbraw/zinc/80/05/67/1054800567.db2.gz BZHPGFVJHSGLDQ-CHWSQXEVSA-N 1 0 331.428 4.078 20 30 EIEDRO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](C[C@@H](C)CCC=C(C)C)C2 ZINC001201487187 1054815494 /nfs/dbraw/zinc/81/54/94/1054815494.db2.gz QYERUGVQVMMPFF-PZJWPPBQSA-N 1 0 332.532 4.402 20 30 EIEDRO COc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1C#N ZINC001201477281 1054829161 /nfs/dbraw/zinc/82/91/61/1054829161.db2.gz DQRDUZJSVDDRAN-RTWAWAEBSA-N 1 0 345.446 4.300 20 30 EIEDRO C=CCc1cc(C[NH2+]CC2(Cc3ccccc3)CC2)cc(OC)c1O ZINC001201549940 1054839335 /nfs/dbraw/zinc/83/93/35/1054839335.db2.gz TXPLLCUYMXXMQF-UHFFFAOYSA-N 1 0 337.463 4.242 20 30 EIEDRO CCCCCCCCCCC[N@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001201630950 1054860534 /nfs/dbraw/zinc/86/05/34/1054860534.db2.gz JPFDMBURXVSQSM-IBGZPJMESA-N 1 0 335.536 4.492 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccc(OC)cc2Br)cc1 ZINC001201752202 1054896670 /nfs/dbraw/zinc/89/66/70/1054896670.db2.gz VAFRYMBRTHHLJF-ZDUSSCGKSA-N 1 0 344.252 4.290 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC001201762382 1054899871 /nfs/dbraw/zinc/89/98/71/1054899871.db2.gz IIXGCAZESDOTMK-LEWJYISDSA-N 1 0 346.515 4.192 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1ccccc1 ZINC001201814650 1054910515 /nfs/dbraw/zinc/91/05/15/1054910515.db2.gz RAAVAXBIGNZJJS-FQEVSTJZSA-N 1 0 342.527 4.485 20 30 EIEDRO CCCCCCCC[NH+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C1 ZINC001201804439 1054910537 /nfs/dbraw/zinc/91/05/37/1054910537.db2.gz JWLIPCXKZDJFOC-PMACEKPBSA-N 1 0 328.500 4.051 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(CC1)c1ncc(C)n1CCN2CC ZINC001201814830 1054912271 /nfs/dbraw/zinc/91/22/71/1054912271.db2.gz SOUGXPUGHFEEAK-UHFFFAOYSA-N 1 0 346.563 4.179 20 30 EIEDRO CCCCCCCC[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC001201815165 1054914017 /nfs/dbraw/zinc/91/40/17/1054914017.db2.gz YEQDQWBSMNSSPQ-PCCBWWKXSA-N 1 0 346.515 4.191 20 30 EIEDRO CCCCCCC[N@@H+]1CCC[C@@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001201777288 1054917450 /nfs/dbraw/zinc/91/74/50/1054917450.db2.gz VHACDQJKPIFFNQ-AZUAARDMSA-N 1 0 332.488 4.054 20 30 EIEDRO CCCCCCC[NH+]1CCC(c2nc(-c3cccnc3)no2)CC1 ZINC001201787968 1054920203 /nfs/dbraw/zinc/92/02/03/1054920203.db2.gz QLSYKKSZCACPRJ-UHFFFAOYSA-N 1 0 328.460 4.281 20 30 EIEDRO CCCCCCCCC[NH+]1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001201840073 1054931338 /nfs/dbraw/zinc/93/13/38/1054931338.db2.gz SOPCZQRFWCEUQD-UHFFFAOYSA-N 1 0 329.532 4.340 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001201846775 1054933603 /nfs/dbraw/zinc/93/36/03/1054933603.db2.gz LEDXLZTUDJVHQQ-NRFANRHFSA-N 1 0 343.515 4.261 20 30 EIEDRO CCCCCCCC[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001201840284 1054933705 /nfs/dbraw/zinc/93/37/05/1054933705.db2.gz RXRYNZDQOHIPOE-UHFFFAOYSA-N 1 0 334.479 4.380 20 30 EIEDRO CCCCCCCCCN1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001201846724 1054933855 /nfs/dbraw/zinc/93/38/55/1054933855.db2.gz KLNJQEYTOBVRNR-UHFFFAOYSA-N 1 0 334.552 4.290 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H](O)c1c(Cl)cccc1Cl ZINC000877067380 1055010208 /nfs/dbraw/zinc/01/02/08/1055010208.db2.gz CPVSWLQYVCWPMY-CNSPOBLWSA-N 1 0 327.255 4.087 20 30 EIEDRO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000877107352 1055019237 /nfs/dbraw/zinc/01/92/37/1055019237.db2.gz DAWBGUDBJTWLDG-JKSUJKDBSA-N 1 0 345.487 4.302 20 30 EIEDRO Cc1cc([C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)C2CC2)ccc1F ZINC000877119291 1055021865 /nfs/dbraw/zinc/02/18/65/1055021865.db2.gz CSDDQEOHLMLULU-KRWDZBQOSA-N 1 0 329.806 4.295 20 30 EIEDRO C#CCCCCCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000877475871 1055060541 /nfs/dbraw/zinc/06/05/41/1055060541.db2.gz PBLWWFFJPDLQAN-SFHVURJKSA-N 1 0 345.487 4.074 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)CC[P@@](C)(=O)OCC)c1ccc(Cl)cc1F ZINC000877516812 1055068660 /nfs/dbraw/zinc/06/86/60/1055068660.db2.gz ITELCHREDSNHEZ-IEBOFQNGSA-N 1 0 345.782 4.466 20 30 EIEDRO C=CC[C@@H](CC)[NH2+]Cc1cn(-c2ccccc2Br)nc1C ZINC001202184316 1055071706 /nfs/dbraw/zinc/07/17/06/1055071706.db2.gz QJZWBUYZUOAAGV-OAHLLOKOSA-N 1 0 348.288 4.388 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000877601223 1055089428 /nfs/dbraw/zinc/08/94/28/1055089428.db2.gz XUBVOAUVLCTESA-IRXDYDNUSA-N 1 0 349.519 4.038 20 30 EIEDRO Cc1csc([C@@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)n1 ZINC000877814471 1055127144 /nfs/dbraw/zinc/12/71/44/1055127144.db2.gz ZNAOIXLLIVYBGQ-QGZVFWFLSA-N 1 0 341.480 4.124 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000119255537 1055145313 /nfs/dbraw/zinc/14/53/13/1055145313.db2.gz YFNBSYCKNAKCCJ-KRWDZBQOSA-N 1 0 333.435 4.261 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000877917124 1055152850 /nfs/dbraw/zinc/15/28/50/1055152850.db2.gz SUSFWLHYBHJCEI-JOCHJYFZSA-N 1 0 332.447 4.092 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@H+](Cc1ccccc1)C(C)C)c1ccccc1 ZINC000877950346 1055160764 /nfs/dbraw/zinc/16/07/64/1055160764.db2.gz JYOXZXFMRMUMBJ-QFIPXVFZSA-N 1 0 334.463 4.338 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000877951911 1055161180 /nfs/dbraw/zinc/16/11/80/1055161180.db2.gz UHDJVWKKIKVVCW-YADHBBJMSA-N 1 0 332.447 4.046 20 30 EIEDRO N#Cc1cccc(C[NH2+]Cc2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000339054052 1055178523 /nfs/dbraw/zinc/17/85/23/1055178523.db2.gz IASBCQWGQDXDJA-UHFFFAOYSA-N 1 0 341.414 4.100 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(C)cc2Br)cc1 ZINC001202465290 1055180806 /nfs/dbraw/zinc/18/08/06/1055180806.db2.gz DCYNSTRMTDCCKQ-UHFFFAOYSA-N 1 0 344.252 4.059 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)cc1 ZINC001202467277 1055183176 /nfs/dbraw/zinc/18/31/76/1055183176.db2.gz XALQLJDVKMHOTI-UHFFFAOYSA-N 1 0 338.209 4.434 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000878109163 1055190101 /nfs/dbraw/zinc/19/01/01/1055190101.db2.gz NEHYTLHSNXOXOQ-AVCGJXAMSA-N 1 0 346.474 4.305 20 30 EIEDRO C#CCCCCCN(Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000878116570 1055190170 /nfs/dbraw/zinc/19/01/70/1055190170.db2.gz IZCSTKFOJAMCDD-UHFFFAOYSA-N 1 0 329.444 4.092 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000878166002 1055198073 /nfs/dbraw/zinc/19/80/73/1055198073.db2.gz JFYIFDAHMHSTAO-VOQZNFBZSA-N 1 0 332.447 4.120 20 30 EIEDRO N#CC1(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CCCCC1 ZINC000863573255 1055231733 /nfs/dbraw/zinc/23/17/33/1055231733.db2.gz MJECODRRKODXGH-OAHLLOKOSA-N 1 0 327.255 4.090 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](c2cccc(C)c2)C1)c1ccccc1 ZINC000878404963 1055292163 /nfs/dbraw/zinc/29/21/63/1055292163.db2.gz ACGMCHWJZYDUPR-GMAHTHKFSA-N 1 0 346.474 4.225 20 30 EIEDRO C=CC(C)(C)CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000624465217 1055307226 /nfs/dbraw/zinc/30/72/26/1055307226.db2.gz IDPDZEXMLBBXCI-NVXWUHKLSA-N 1 0 349.544 4.033 20 30 EIEDRO CC(C)[NH+]1CCC(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000073496630 1055309588 /nfs/dbraw/zinc/30/95/88/1055309588.db2.gz FHLBDXYGGPWUNT-OAHLLOKOSA-N 1 0 345.512 4.140 20 30 EIEDRO CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000127265365 1055367420 /nfs/dbraw/zinc/36/74/20/1055367420.db2.gz TWHBIMXNGYZYDV-KXBFYZLASA-N 1 0 334.419 4.421 20 30 EIEDRO C=C(C)CCc1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)n1 ZINC000624607235 1055397428 /nfs/dbraw/zinc/39/74/28/1055397428.db2.gz KSRZKZNGELAZIP-RBUKOAKNSA-N 1 0 337.467 4.204 20 30 EIEDRO C[C@](O)(C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1Cl ZINC000765807525 1055417612 /nfs/dbraw/zinc/41/76/12/1055417612.db2.gz DPVNYQGONJDXKO-UXHICEINSA-N 1 0 340.854 4.086 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)cc1 ZINC000114504374 1055427179 /nfs/dbraw/zinc/42/71/79/1055427179.db2.gz JESYXKYKLDLJOF-CQSZACIVSA-N 1 0 345.414 4.259 20 30 EIEDRO C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399547 1055439019 /nfs/dbraw/zinc/43/90/19/1055439019.db2.gz WIMNMJTWEILWNT-KCESLBEFSA-N 1 0 347.506 4.365 20 30 EIEDRO COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]Cc1ccc(OCC#N)cc1 ZINC000902862045 1055474762 /nfs/dbraw/zinc/47/47/62/1055474762.db2.gz YDMQPEPYRONMEH-BTYIYWSLSA-N 1 0 336.435 4.011 20 30 EIEDRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000153543998 1055517205 /nfs/dbraw/zinc/51/72/05/1055517205.db2.gz IRODJIJNLXFGMM-JXFKEZNVSA-N 1 0 346.478 4.069 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000282287002 1055752931 /nfs/dbraw/zinc/75/29/31/1055752931.db2.gz LKMMEPIEILQGLG-IUDNXUCKSA-N 1 0 340.496 4.494 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273384211 1055790863 /nfs/dbraw/zinc/79/08/63/1055790863.db2.gz DARIETOHRRCRTR-ICSRJNTNSA-N 1 0 342.389 4.189 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1ncccc1C#N)c1ccccc1Cl ZINC000301060579 1055892400 /nfs/dbraw/zinc/89/24/00/1055892400.db2.gz QUYDSNUHKCKKJC-QGZVFWFLSA-N 1 0 328.847 4.102 20 30 EIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2ncccc2C#N)C1 ZINC000301098920 1055895282 /nfs/dbraw/zinc/89/52/82/1055895282.db2.gz NMTUSVXPMJZSIU-IAGOWNOFSA-N 1 0 334.467 4.043 20 30 EIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2ccc(C#N)cn2)C1 ZINC000301112989 1055897055 /nfs/dbraw/zinc/89/70/55/1055897055.db2.gz SOPGOCAEQTWMDJ-CALCHBBNSA-N 1 0 334.467 4.043 20 30 EIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000301312996 1055919104 /nfs/dbraw/zinc/91/91/04/1055919104.db2.gz JPZODNFUQKYTFH-AWEZNQCLSA-N 1 0 340.858 4.244 20 30 EIEDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2c(F)cc(C#N)cc2F)CC1 ZINC000301324842 1055921147 /nfs/dbraw/zinc/92/11/47/1055921147.db2.gz XWJNWYBEMOMZPT-CQSZACIVSA-N 1 0 341.405 4.474 20 30 EIEDRO CCC[NH+]1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000301374929 1055928057 /nfs/dbraw/zinc/92/80/57/1055928057.db2.gz XAWYPTYWRSUEBG-UHFFFAOYSA-N 1 0 328.847 4.046 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000301614691 1055957675 /nfs/dbraw/zinc/95/76/75/1055957675.db2.gz IIFOWGZYFBVAHM-MRXNPFEDSA-N 1 0 337.389 4.032 20 30 EIEDRO N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000301699529 1055968668 /nfs/dbraw/zinc/96/86/68/1055968668.db2.gz DZXPYLNAQKKCDS-RBBKRZOGSA-N 1 0 331.463 4.049 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1ccc2cc(C#N)ccc2n1)c1ccco1 ZINC000301993923 1056005163 /nfs/dbraw/zinc/00/51/63/1056005163.db2.gz ZTKMORSFTPOOBG-GOSISDBHSA-N 1 0 334.423 4.194 20 30 EIEDRO CC(=O)c1ccc(C#N)cc1NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000302164511 1056024030 /nfs/dbraw/zinc/02/40/30/1056024030.db2.gz ZJYMCYFNYFOSBY-UHFFFAOYSA-N 1 0 339.483 4.216 20 30 EIEDRO CC(C)(C)[NH+]1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302183435 1056027594 /nfs/dbraw/zinc/02/75/94/1056027594.db2.gz RXIBJYCAGWWRSC-UHFFFAOYSA-N 1 0 325.378 4.252 20 30 EIEDRO C[NH+](C)CCCC1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302192397 1056030168 /nfs/dbraw/zinc/03/01/68/1056030168.db2.gz MJRHDNULUGVVFV-UHFFFAOYSA-N 1 0 339.405 4.135 20 30 EIEDRO COc1ccc([C@H]2C[C@@H]([N@H+](CCC#N)C3CCCC3)CCO2)cc1 ZINC001168653659 1056159736 /nfs/dbraw/zinc/15/97/36/1056159736.db2.gz NJGWTVGXRCHRQG-AZUAARDMSA-N 1 0 328.456 4.074 20 30 EIEDRO Cc1ncc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)s1 ZINC000109015657 1056202762 /nfs/dbraw/zinc/20/27/62/1056202762.db2.gz VKRMVDKBEIETBK-UHFFFAOYSA-N 1 0 349.459 4.192 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000554842005 1056376119 /nfs/dbraw/zinc/37/61/19/1056376119.db2.gz BEBFGQNRUFPHQW-LLVKDONJSA-N 1 0 348.233 4.154 20 30 EIEDRO N#Cc1nc(NCc2ccccc2C[NH+]2CCCCC2)ccc1Cl ZINC000110083607 1056571438 /nfs/dbraw/zinc/57/14/38/1056571438.db2.gz LZOWKUQFGLINTA-UHFFFAOYSA-N 1 0 340.858 4.205 20 30 EIEDRO N#CCC1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000542883537 1056651151 /nfs/dbraw/zinc/65/11/51/1056651151.db2.gz SLIHCPRZGPXLKH-UHFFFAOYSA-N 1 0 333.435 4.065 20 30 EIEDRO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934726 1056797042 /nfs/dbraw/zinc/79/70/42/1056797042.db2.gz SLWSBAWIHXJGGM-SJORKVTESA-N 1 0 349.478 4.131 20 30 EIEDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934377 1056799329 /nfs/dbraw/zinc/79/93/29/1056799329.db2.gz IQGSSIKRLIRQNA-YESZJQIVSA-N 1 0 349.478 4.179 20 30 EIEDRO CC[N@@H+]1CCC(N=Nc2nc(Cl)c(Cl)cc2Cl)[C@H](C)C1 ZINC000741457816 1058217863 /nfs/dbraw/zinc/21/78/63/1058217863.db2.gz RCZXBDVCBZBXTM-MRVPVSSYSA-N 1 0 335.666 4.171 20 30 EIEDRO C#CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000742382968 1058585597 /nfs/dbraw/zinc/58/55/97/1058585597.db2.gz PMPWRHRAFUHVPW-UHFFFAOYSA-N 1 0 329.447 4.351 20 30 EIEDRO C#CCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000742383313 1058586528 /nfs/dbraw/zinc/58/65/28/1058586528.db2.gz YXWVILDDNKDENE-UHFFFAOYSA-N 1 0 328.343 4.029 20 30 EIEDRO C#CCCC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000742383285 1058588761 /nfs/dbraw/zinc/58/87/61/1058588761.db2.gz XLYZLVHFVSVDGQ-UHFFFAOYSA-N 1 0 336.266 4.050 20 30 EIEDRO Clc1ccc(CC(CCCc2ccccc2)=[NH+]n2cnnc2)cc1 ZINC000743419172 1058993465 /nfs/dbraw/zinc/99/34/65/1058993465.db2.gz OQKRNEQUEQVAMU-UHFFFAOYSA-N 1 0 338.842 4.401 20 30 EIEDRO Cc1ccc(CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)c(C)c1 ZINC000743767585 1059111311 /nfs/dbraw/zinc/11/13/11/1059111311.db2.gz ITGDGBZBVIBEJR-UHFFFAOYSA-N 1 0 335.495 4.376 20 30 EIEDRO N#CCOc1ccc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000743859556 1059167726 /nfs/dbraw/zinc/16/77/26/1059167726.db2.gz BXEUCZFXPKGQKM-GOSISDBHSA-N 1 0 338.476 4.203 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000744211376 1059327957 /nfs/dbraw/zinc/32/79/57/1059327957.db2.gz LAIYXWAYAVTZDP-IBGZPJMESA-N 1 0 349.396 4.470 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)s2)cc1 ZINC000744449365 1059527924 /nfs/dbraw/zinc/52/79/24/1059527924.db2.gz HWEMKRZYEDLNOL-UHFFFAOYSA-N 1 0 334.444 4.112 20 30 EIEDRO C#CC[N@@H+](C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000744739279 1059624994 /nfs/dbraw/zinc/62/49/94/1059624994.db2.gz RDVSTIPPEDAFAV-OXQOHEQNSA-N 1 0 349.902 4.046 20 30 EIEDRO CCCCCCC[C@@H](C)CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000746413821 1060301405 /nfs/dbraw/zinc/30/14/05/1060301405.db2.gz KFCKSLXXHLDSJG-MOPGFXCFSA-N 1 0 337.552 4.110 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccncc2)cc1 ZINC000766487112 1060392271 /nfs/dbraw/zinc/39/22/71/1060392271.db2.gz CQGUZABCVFHKMV-JKSUJKDBSA-N 1 0 330.859 4.495 20 30 EIEDRO CC1(C)CN(Cc2ccc(C#N)cc2OC(F)F)Cc2ccccc21 ZINC001168859899 1060467623 /nfs/dbraw/zinc/46/76/23/1060467623.db2.gz TZLCKLOXQFSRPT-UHFFFAOYSA-N 1 0 342.389 4.453 20 30 EIEDRO CCCCCCC[N@H+](C)[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168939590 1060530687 /nfs/dbraw/zinc/53/06/87/1060530687.db2.gz GSDQDBATQRYPTH-IBGZPJMESA-N 1 0 346.515 4.088 20 30 EIEDRO CC[N@H+](Cc1c(C)cc(C#N)cc1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001168992589 1060568395 /nfs/dbraw/zinc/56/83/95/1060568395.db2.gz GHAKRYSQJDWYKT-QFIPXVFZSA-N 1 0 347.506 4.272 20 30 EIEDRO C=CCOCc1nn([C@@H](Cc2ccccc2)CC(C)C)c2c1C[NH2+]C2 ZINC001169069536 1060629453 /nfs/dbraw/zinc/62/94/53/1060629453.db2.gz GFRKBUXLVYHJKF-GOSISDBHSA-N 1 0 339.483 4.019 20 30 EIEDRO CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001169145702 1060664747 /nfs/dbraw/zinc/66/47/47/1060664747.db2.gz SWMSHICRVOIPCH-QRWLVFNGSA-N 1 0 328.504 4.206 20 30 EIEDRO C=CCOCC[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC001169270687 1060755787 /nfs/dbraw/zinc/75/57/87/1060755787.db2.gz JMWVITUJKQKWFR-INIZCTEOSA-N 1 0 326.278 4.113 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCC(C)(C)C2)c1 ZINC001169301538 1060762127 /nfs/dbraw/zinc/76/21/27/1060762127.db2.gz VTWCRIHRMMHEGE-GOSISDBHSA-N 1 0 341.499 4.061 20 30 EIEDRO Cc1ccc(C[NH+]2CCCCC2)cc1NC=CC(=O)C(F)(F)F ZINC001169481317 1060827890 /nfs/dbraw/zinc/82/78/90/1060827890.db2.gz YTBSEGFAWHKYNP-BQYQJAHWSA-N 1 0 326.362 4.038 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001169471788 1060833302 /nfs/dbraw/zinc/83/33/02/1060833302.db2.gz BTMYUNNYFYOBLA-SFHVURJKSA-N 1 0 348.349 4.159 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2nc(C#N)ccc2c1 ZINC001169689852 1060899616 /nfs/dbraw/zinc/89/96/16/1060899616.db2.gz IJNNVLABRSLIAU-IBGZPJMESA-N 1 0 328.419 4.347 20 30 EIEDRO CCOC(=O)N1CCC[C@@H]([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001169695006 1060905188 /nfs/dbraw/zinc/90/51/88/1060905188.db2.gz SVHORUFJXGRCCY-LJQANCHMSA-N 1 0 349.519 4.326 20 30 EIEDRO N#CC12CCC(Nc3c[nH+]c4cccc(Br)n34)(CC1)CC2 ZINC001169750000 1060929357 /nfs/dbraw/zinc/92/93/57/1060929357.db2.gz NTWLJHVYRNJWFL-UHFFFAOYSA-N 1 0 345.244 4.125 20 30 EIEDRO CC(C)[Si](C#C[NH2+]Cc1ccc2c(c1)C(=O)NC2)(C(C)C)C(C)C ZINC001169767258 1060951325 /nfs/dbraw/zinc/95/13/25/1060951325.db2.gz VQHCTCZWWNQBLZ-UHFFFAOYSA-N 1 0 342.559 4.199 20 30 EIEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC001169853694 1061002097 /nfs/dbraw/zinc/00/20/97/1061002097.db2.gz HHCGKDCDMYJKIU-FXAWDEMLSA-N 1 0 347.462 4.073 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)c(F)c1 ZINC001169952825 1061048867 /nfs/dbraw/zinc/04/88/67/1061048867.db2.gz KSFZVFGPLBOGHL-UHFFFAOYSA-N 1 0 327.399 4.191 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N/C1CC[NH+](Cc2ccccc2)CC1 ZINC000049946922 214037294 /nfs/dbraw/zinc/03/72/94/214037294.db2.gz HXYIUAYNPNSCEO-FYJGNVAPSA-N 1 0 328.843 4.129 20 30 EIEDRO C=CCC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCC1 ZINC000449840411 1032069472 /nfs/dbraw/zinc/06/94/72/1032069472.db2.gz QHRMHKSUQSSFDF-IBGZPJMESA-N 1 0 332.532 4.238 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000532195102 1032080852 /nfs/dbraw/zinc/08/08/52/1032080852.db2.gz LBFJKPWZXNDGST-INIZCTEOSA-N 1 0 335.451 4.189 20 30 EIEDRO N#Cc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000532243987 1032120559 /nfs/dbraw/zinc/12/05/59/1032120559.db2.gz QSDWFWGEHRNBBH-XZOQPEGZSA-N 1 0 345.490 4.045 20 30 EIEDRO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCCC1 ZINC000449933458 1032137073 /nfs/dbraw/zinc/13/70/73/1032137073.db2.gz BHAPTQNTQYIRRG-AEFFLSMTSA-N 1 0 346.540 4.384 20 30 EIEDRO N#CCCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000237699845 1032234721 /nfs/dbraw/zinc/23/47/21/1032234721.db2.gz DPBVMSIKCRZDSX-UHFFFAOYSA-N 1 0 348.425 4.462 20 30 EIEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccccc2C)no1 ZINC001211975737 1032265010 /nfs/dbraw/zinc/26/50/10/1032265010.db2.gz OPYGKHBNGYDZHF-AEFFLSMTSA-N 1 0 343.471 4.123 20 30 EIEDRO C[N@H+](CC(C)(C)CCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245512988 1032282300 /nfs/dbraw/zinc/28/23/00/1032282300.db2.gz BRMMMZCRZVFCNB-CVEARBPZSA-N 1 0 341.282 4.213 20 30 EIEDRO COc1ccc(NC(=[NH2+])N[C@H]2C[C@H](c3ccccc3)C2)cc1Cl ZINC000262830569 1032310921 /nfs/dbraw/zinc/31/09/21/1032310921.db2.gz RJOMWLIGIXWCSP-CTYIDZIISA-N 1 0 329.831 4.021 20 30 EIEDRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]Cc1cccc(C#N)c1 ZINC000532857347 1032352432 /nfs/dbraw/zinc/35/24/32/1032352432.db2.gz DINVDUYRMXAZSU-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C=C1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000532961606 1032421363 /nfs/dbraw/zinc/42/13/63/1032421363.db2.gz RDBWIPNVTPJZPL-UHFFFAOYSA-N 1 0 336.435 4.460 20 30 EIEDRO C=CCC1(C(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)CCCC1 ZINC000450377012 1032455187 /nfs/dbraw/zinc/45/51/87/1032455187.db2.gz HXXBMFILTBMYRV-UHFFFAOYSA-N 1 0 346.559 4.484 20 30 EIEDRO C[C@H](C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1)Cc1ccccc1 ZINC000529673153 1032524879 /nfs/dbraw/zinc/52/48/79/1032524879.db2.gz HBDKEVQXTXZCNI-SFHVURJKSA-N 1 0 334.463 4.032 20 30 EIEDRO CC(C)C[N@H+](CCC(=O)Nc1ccccc1C#N)CCc1ccccc1 ZINC000533250517 1032566557 /nfs/dbraw/zinc/56/65/57/1032566557.db2.gz SAQMRPGHANVFNE-UHFFFAOYSA-N 1 0 349.478 4.088 20 30 EIEDRO C[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)CN1Cc1ccccc1 ZINC000121228938 1032574874 /nfs/dbraw/zinc/57/48/74/1032574874.db2.gz GULLAYYWFJDCMY-COPCDDAFSA-N 1 0 333.479 4.284 20 30 EIEDRO Cc1cc(C[NH2+][C@]2(Cc3ccc(Cl)cc3)CCOC2)ccc1C#N ZINC000500544989 1032622984 /nfs/dbraw/zinc/62/29/84/1032622984.db2.gz LUXDKWFGGCHLOL-FQEVSTJZSA-N 1 0 340.854 4.012 20 30 EIEDRO CCCOc1ncccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360837199 1032689724 /nfs/dbraw/zinc/68/97/24/1032689724.db2.gz OZNKCMKKICYECE-FQEVSTJZSA-N 1 0 335.451 4.299 20 30 EIEDRO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)Nc1cccc(C#N)c1 ZINC000533367586 1032705999 /nfs/dbraw/zinc/70/59/99/1032705999.db2.gz AKTINXAHLKYPRR-FOIQADDNSA-N 1 0 333.435 4.016 20 30 EIEDRO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000246116696 1032711619 /nfs/dbraw/zinc/71/16/19/1032711619.db2.gz RETYONIMDPHWBN-AEFFLSMTSA-N 1 0 332.513 4.016 20 30 EIEDRO COc1ccc(-c2ccncc2)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000186885136 1018911668 /nfs/dbraw/zinc/91/16/68/1018911668.db2.gz SUKNURUCTGZKLS-UHFFFAOYSA-N 1 0 343.430 4.261 20 30 EIEDRO C=C(C)[C@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)c(F)c1 ZINC000430203423 1019269049 /nfs/dbraw/zinc/26/90/49/1019269049.db2.gz IJFOCVQXXWCMMA-SFHVURJKSA-N 1 0 348.349 4.289 20 30 EIEDRO CC(C)COc1cccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000236701486 1032827173 /nfs/dbraw/zinc/82/71/73/1032827173.db2.gz MQLIEXQWBCSXLJ-KRWDZBQOSA-N 1 0 338.451 4.302 20 30 EIEDRO CCC1CCC([N@H+](CCC(=O)Nc2ccc(C#N)cc2)C2CC2)CC1 ZINC001167072611 1019472374 /nfs/dbraw/zinc/47/23/74/1019472374.db2.gz SJMDDAUXJSBSGL-UHFFFAOYSA-N 1 0 339.483 4.320 20 30 EIEDRO CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cccc(C#N)c1F ZINC000512463583 1032835272 /nfs/dbraw/zinc/83/52/72/1032835272.db2.gz RRXDAOHJPNSGGG-UHFFFAOYSA-N 1 0 338.304 4.228 20 30 EIEDRO CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1(C)C ZINC000236853436 1032836134 /nfs/dbraw/zinc/83/61/34/1032836134.db2.gz IDJMTGNNPKURCC-ZYSHUDEJSA-N 1 0 330.472 4.051 20 30 EIEDRO N#CCCCC[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430234781 1019552588 /nfs/dbraw/zinc/55/25/88/1019552588.db2.gz BMODOIGNPMBCSA-HNNXBMFYSA-N 1 0 325.225 4.419 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccc(C#N)s1 ZINC000134824112 1020026881 /nfs/dbraw/zinc/02/68/81/1020026881.db2.gz CRJDHOVYCNMGBU-QWHCGFSZSA-N 1 0 347.434 4.075 20 30 EIEDRO C[NH2+]Cc1cn(-c2cc(C#N)c3ccccc3n2)c2ccc(C)cc12 ZINC001167123080 1020267880 /nfs/dbraw/zinc/26/78/80/1020267880.db2.gz VFUQOJJAKYICSE-UHFFFAOYSA-N 1 0 326.403 4.078 20 30 EIEDRO C=CCCCCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C1 ZINC001209431484 1020323182 /nfs/dbraw/zinc/32/31/82/1020323182.db2.gz PGWTVYCLPJCOEZ-HZPDHXFCSA-N 1 0 328.472 4.060 20 30 EIEDRO C=CCCCCCCC[NH+]1CCC2(CN(c3cccnc3)C2=O)CC1 ZINC001209439721 1020342892 /nfs/dbraw/zinc/34/28/92/1020342892.db2.gz WUYLIYQESNVTBC-UHFFFAOYSA-N 1 0 341.499 4.037 20 30 EIEDRO CC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000510194789 1020425043 /nfs/dbraw/zinc/42/50/43/1020425043.db2.gz SVNDWEMUFMQGIO-GOSISDBHSA-N 1 0 343.854 4.450 20 30 EIEDRO COc1cccc([C@H](C)[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000175641707 1020513319 /nfs/dbraw/zinc/51/33/19/1020513319.db2.gz DYXCTEWYAGWMAC-INIZCTEOSA-N 1 0 336.435 4.171 20 30 EIEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](C)CC2)ccc1Cl ZINC001167259306 1020710375 /nfs/dbraw/zinc/71/03/75/1020710375.db2.gz PLNJUXYGELKHOP-HNNXBMFYSA-N 1 0 347.890 4.017 20 30 EIEDRO C#CC[N@@H+](CCOc1cccc2ccccc21)Cc1ccc(F)cc1 ZINC001167273336 1020748207 /nfs/dbraw/zinc/74/82/07/1020748207.db2.gz CJQFWSUKGVBOHM-UHFFFAOYSA-N 1 0 333.406 4.493 20 30 EIEDRO C[N@@H+]1CC[C@H](N[C@H](CCC#N)c2ccccc2)C[C@H]1c1ccccc1 ZINC000340309757 1020749360 /nfs/dbraw/zinc/74/93/60/1020749360.db2.gz XFEPAIKEXORDEJ-BDTNDASRSA-N 1 0 333.479 4.457 20 30 EIEDRO C[N@@H+]1CC[C@H](N[C@@H](CCC#N)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000340309759 1020749739 /nfs/dbraw/zinc/74/97/39/1020749739.db2.gz XFEPAIKEXORDEJ-FDFHNCONSA-N 1 0 333.479 4.457 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)oc2C)CC1 ZINC000625322916 1020910309 /nfs/dbraw/zinc/91/03/09/1020910309.db2.gz NJFKDWDLMQPFCY-UHFFFAOYSA-N 1 0 338.451 4.025 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(COc3ccccc3)cc2)s1 ZINC000176947531 1020938817 /nfs/dbraw/zinc/93/88/17/1020938817.db2.gz VQOKQHMLVSMORE-UHFFFAOYSA-N 1 0 334.444 4.489 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)s1 ZINC000176969696 1020942499 /nfs/dbraw/zinc/94/24/99/1020942499.db2.gz YVLGIRAMEGITCZ-IBGZPJMESA-N 1 0 326.465 4.194 20 30 EIEDRO N#CCCC[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000340437984 1021024835 /nfs/dbraw/zinc/02/48/35/1021024835.db2.gz XMHPBMRJKPCKDW-JOCHJYFZSA-N 1 0 348.494 4.071 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000340443851 1021038650 /nfs/dbraw/zinc/03/86/50/1021038650.db2.gz JCLZCPHFJXAKEX-IBGZPJMESA-N 1 0 327.399 4.394 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCCC[C@H]3c3ccccc3)n2c1 ZINC000560243829 1021047850 /nfs/dbraw/zinc/04/78/50/1021047850.db2.gz RDWBDAPVYBQBDB-PMACEKPBSA-N 1 0 330.435 4.022 20 30 EIEDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000053232903 1021315295 /nfs/dbraw/zinc/31/52/95/1021315295.db2.gz ASDAYQRDQCWRPH-LBPRGKRZSA-N 1 0 347.871 4.295 20 30 EIEDRO CC1CCN([C@@H](C[NH2+]Cc2cc(C#N)cs2)c2cccs2)CC1 ZINC000177680564 1021366160 /nfs/dbraw/zinc/36/61/60/1021366160.db2.gz FIWBZEBIOVJGIP-KRWDZBQOSA-N 1 0 345.537 4.244 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C2CC2)cc1 ZINC000180029730 1021378395 /nfs/dbraw/zinc/37/83/95/1021378395.db2.gz FPISCHCTUVKGCW-UHFFFAOYSA-N 1 0 346.409 4.252 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2ccc(COc3ccccc3)cc2)c1 ZINC000177685115 1021442975 /nfs/dbraw/zinc/44/29/75/1021442975.db2.gz ZRINRXXWDLPGDU-UHFFFAOYSA-N 1 0 334.444 4.489 20 30 EIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177708095 1021628960 /nfs/dbraw/zinc/62/89/60/1021628960.db2.gz QHGJDNDZLYYSAJ-MJGOQNOKSA-N 1 0 326.465 4.186 20 30 EIEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCCSc2ccc(F)cc2)O1 ZINC000376167235 1021643195 /nfs/dbraw/zinc/64/31/95/1021643195.db2.gz PETUVBKCLZPHOR-OQIJWPOYSA-N 1 0 348.487 4.137 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1cccnc1Cl ZINC000177821667 1021719256 /nfs/dbraw/zinc/71/92/56/1021719256.db2.gz MFTIDUMJQHUUHP-ZDUSSCGKSA-N 1 0 331.872 4.191 20 30 EIEDRO C[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(C#N)cc1Cl ZINC000580501952 1021792717 /nfs/dbraw/zinc/79/27/17/1021792717.db2.gz WOWDQZDWDFPTIN-KZULUSFZSA-N 1 0 346.883 4.412 20 30 EIEDRO N#Cc1cc(NCC[NH+]2Cc3ccccc3C2)ccc1C(F)(F)F ZINC000613271465 1021847264 /nfs/dbraw/zinc/84/72/64/1021847264.db2.gz VQGAHCSYACSGGR-UHFFFAOYSA-N 1 0 331.341 4.005 20 30 EIEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000177993712 1021849305 /nfs/dbraw/zinc/84/93/05/1021849305.db2.gz FWLBLGNDFBDOBU-RTBURBONSA-N 1 0 326.827 4.082 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1ccco1 ZINC000683889975 1021879779 /nfs/dbraw/zinc/87/97/79/1021879779.db2.gz BTXLVGPOLLNGDS-RDJZCZTQSA-N 1 0 332.394 4.434 20 30 EIEDRO C=CC[N@@H+](CC(=O)Nc1nc2ccccc2s1)CC1CCCCC1 ZINC001167393047 1021974311 /nfs/dbraw/zinc/97/43/11/1021974311.db2.gz ZWQDITDWVOTSPV-UHFFFAOYSA-N 1 0 343.496 4.303 20 30 EIEDRO CCc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000376280328 1021990724 /nfs/dbraw/zinc/99/07/24/1021990724.db2.gz HLHOGKDOFBFUAQ-INIZCTEOSA-N 1 0 344.462 4.372 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1Br ZINC000414164342 1022006921 /nfs/dbraw/zinc/00/69/21/1022006921.db2.gz KFEKBZOOBHUHIY-NSHDSACASA-N 1 0 325.250 4.048 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)cc1 ZINC000582526235 1022013385 /nfs/dbraw/zinc/01/33/85/1022013385.db2.gz GHIPEMYOSBXPSO-LEWJYISDSA-N 1 0 336.479 4.401 20 30 EIEDRO Cc1nsc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1C#N ZINC000561107743 1022015534 /nfs/dbraw/zinc/01/55/34/1022015534.db2.gz OHEHZCHPTCXCPS-OAHLLOKOSA-N 1 0 346.525 4.270 20 30 EIEDRO CC[C@@H]([NH2+][C@@H](COC)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000278820834 1022061624 /nfs/dbraw/zinc/06/16/24/1022061624.db2.gz SMFAWIVZDQBNAA-MOPGFXCFSA-N 1 0 330.378 4.265 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(N2CCCC2=O)cc1 ZINC000178179183 1022139272 /nfs/dbraw/zinc/13/92/72/1022139272.db2.gz KSCGGGMVNOSPBR-CVEARBPZSA-N 1 0 333.435 4.097 20 30 EIEDRO CO[C@@](C)([C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CC1 ZINC000414236718 1022254536 /nfs/dbraw/zinc/25/45/36/1022254536.db2.gz LBXOWSPEKBNMJX-ZEXAPNKDSA-N 1 0 326.484 4.184 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415941184 1022261665 /nfs/dbraw/zinc/26/16/65/1022261665.db2.gz FLOHVZMSYAOLKE-UHFFFAOYSA-N 1 0 329.488 4.396 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2)C1 ZINC000414246993 1022297521 /nfs/dbraw/zinc/29/75/21/1022297521.db2.gz SUIDNFFBIRCURK-IINYFYTJSA-N 1 0 327.653 4.274 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415964859 1022306955 /nfs/dbraw/zinc/30/69/55/1022306955.db2.gz YKLCCEVAMUJQHH-UHFFFAOYSA-N 1 0 345.462 4.072 20 30 EIEDRO N#CCCCC[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000187838523 1022333980 /nfs/dbraw/zinc/33/39/80/1022333980.db2.gz ZGTRJLISSROKSY-UHFFFAOYSA-N 1 0 340.389 4.490 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000414307753 1022471914 /nfs/dbraw/zinc/47/19/14/1022471914.db2.gz RYKPESSAVPKEKI-ZDWFVDTJSA-N 1 0 327.493 4.262 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000175911128 1022497806 /nfs/dbraw/zinc/49/78/06/1022497806.db2.gz FDAGEZYTDIAHIR-SPEDKVCISA-N 1 0 333.479 4.262 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000580802733 1022516290 /nfs/dbraw/zinc/51/62/90/1022516290.db2.gz OVANSEVPZCFHQR-UHFFFAOYSA-N 1 0 349.409 4.413 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN(c3ccccc3)C1)CC2 ZINC000584439873 1022553536 /nfs/dbraw/zinc/55/35/36/1022553536.db2.gz QBFBIIJLBOVAHA-GCJKJVERSA-N 1 0 331.463 4.052 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000180334548 1022562179 /nfs/dbraw/zinc/56/21/79/1022562179.db2.gz LPGOEKVUJUDNGW-UHFFFAOYSA-N 1 0 343.386 4.423 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccccc1 ZINC000893191696 1022624348 /nfs/dbraw/zinc/62/43/48/1022624348.db2.gz NGZYRPZVRXIUMP-MRXNPFEDSA-N 1 0 342.395 4.106 20 30 EIEDRO C=CCCCN(CC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000893197922 1022659234 /nfs/dbraw/zinc/65/92/34/1022659234.db2.gz DZSBFDFAFFWKHA-FUHWJXTLSA-N 1 0 349.544 4.129 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c(-c2ccccc2)n1 ZINC000378344583 1022726848 /nfs/dbraw/zinc/72/68/48/1022726848.db2.gz AQWWPZPITDNTRE-SFHVURJKSA-N 1 0 346.434 4.046 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnc(CC(C)C)s2)c1 ZINC000162612183 1022728005 /nfs/dbraw/zinc/72/80/05/1022728005.db2.gz GBYJQRRAUSZYSB-MRXNPFEDSA-N 1 0 343.496 4.312 20 30 EIEDRO N#Cc1ccc(C2=CCN(Cc3nc4ccc(F)cc4o3)CC2)cc1 ZINC000378352853 1022734353 /nfs/dbraw/zinc/73/43/53/1022734353.db2.gz CJNGOTLDNHGVML-UHFFFAOYSA-N 1 0 333.366 4.128 20 30 EIEDRO N#CCCN(C(=O)C[NH2+][C@H](c1ccccc1)C1CCC1)c1ccccc1 ZINC000104700979 1022783150 /nfs/dbraw/zinc/78/31/50/1022783150.db2.gz RFOCYSMYOLQAST-JOCHJYFZSA-N 1 0 347.462 4.064 20 30 EIEDRO C=CC[N@@H+](CCCOCC(F)(F)F)Cc1ccc(Cl)s1 ZINC000064966009 1022827485 /nfs/dbraw/zinc/82/74/85/1022827485.db2.gz RFJZOZYZFKSFTJ-UHFFFAOYSA-N 1 0 327.799 4.359 20 30 EIEDRO N#CCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1CC1 ZINC000183047884 1022841889 /nfs/dbraw/zinc/84/18/89/1022841889.db2.gz RCOBDMZTUFVVNJ-UHFFFAOYSA-N 1 0 336.435 4.097 20 30 EIEDRO CCOc1ccc(CCC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000581144183 1022854959 /nfs/dbraw/zinc/85/49/59/1022854959.db2.gz FFZJMPRDMUGYQG-VQTJNVASSA-N 1 0 326.484 4.422 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)c1 ZINC000343855478 1022892951 /nfs/dbraw/zinc/89/29/51/1022892951.db2.gz SDXRLXUSNFZYKY-INIZCTEOSA-N 1 0 334.391 4.388 20 30 EIEDRO Cc1ccc(C2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)cn1 ZINC000378630621 1022897829 /nfs/dbraw/zinc/89/78/29/1022897829.db2.gz GCGVWIBSXRBJMD-QGZVFWFLSA-N 1 0 335.451 4.061 20 30 EIEDRO Fc1ccc(OC(F)(F)F)cc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001143537781 1033090358 /nfs/dbraw/zinc/09/03/58/1033090358.db2.gz CIJXRDMJDFRAED-LBPRGKRZSA-N 1 0 345.258 4.294 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](CC2CCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000581254636 1022915100 /nfs/dbraw/zinc/91/51/00/1022915100.db2.gz OSJGKMNGDVLLKV-LJQANCHMSA-N 1 0 335.407 4.488 20 30 EIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181299675 1022919078 /nfs/dbraw/zinc/91/90/78/1022919078.db2.gz YFVBCPWPNBUXJU-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CCCCCC#N)cc1 ZINC000588150876 1023011482 /nfs/dbraw/zinc/01/14/82/1023011482.db2.gz IZWIXRSHCRNUJT-GOSISDBHSA-N 1 0 341.499 4.151 20 30 EIEDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001167454330 1023015370 /nfs/dbraw/zinc/01/53/70/1023015370.db2.gz TVSXYEBMONCPBM-LJQANCHMSA-N 1 0 327.472 4.178 20 30 EIEDRO COCCC1(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CCCCC1 ZINC000185225162 1023021967 /nfs/dbraw/zinc/02/19/67/1023021967.db2.gz ZELUHZJYPGYZHQ-QGZVFWFLSA-N 1 0 330.472 4.054 20 30 EIEDRO N#Cc1cc2ccccc2nc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000311244949 1023032653 /nfs/dbraw/zinc/03/26/53/1023032653.db2.gz OAIUEYIMSCRYCA-UHFFFAOYSA-N 1 0 342.446 4.183 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000510394517 1023057415 /nfs/dbraw/zinc/05/74/15/1023057415.db2.gz HFEOBBQJMNYEKW-IBGZPJMESA-N 1 0 344.462 4.284 20 30 EIEDRO C=CCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001125895437 1023095307 /nfs/dbraw/zinc/09/53/07/1023095307.db2.gz FZSWBDVXVWTORN-GOSISDBHSA-N 1 0 334.891 4.167 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000589262078 1023112592 /nfs/dbraw/zinc/11/25/92/1023112592.db2.gz PYZYBQDZQBIRHM-FQEVSTJZSA-N 1 0 336.479 4.337 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(Br)s1)c1cccc(C#N)c1 ZINC000181577118 1023245268 /nfs/dbraw/zinc/24/52/68/1023245268.db2.gz NJZMNBXEBPGFBO-NSHDSACASA-N 1 0 335.270 4.276 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)c1 ZINC000414526195 1023249885 /nfs/dbraw/zinc/24/98/85/1023249885.db2.gz KUNFCCRJPJCNRI-LJQANCHMSA-N 1 0 340.492 4.393 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1nc2ccccc2n1C ZINC000417362373 1023286566 /nfs/dbraw/zinc/28/65/66/1023286566.db2.gz JSQDKIMNWWOORX-KBXCAEBGSA-N 1 0 330.435 4.173 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000417363421 1023288647 /nfs/dbraw/zinc/28/86/47/1023288647.db2.gz KLUVUZDLAMMVKO-LEWJYISDSA-N 1 0 348.446 4.463 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCc3c(Br)cccc32)c1 ZINC000341199326 1023360942 /nfs/dbraw/zinc/36/09/42/1023360942.db2.gz UWTLSFHQODXSTH-GOSISDBHSA-N 1 0 341.252 4.488 20 30 EIEDRO Cc1cnn(-c2ccc([C@H](C)[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2F)c1 ZINC000377084890 1023365254 /nfs/dbraw/zinc/36/52/54/1023365254.db2.gz UNFDBGWTZFYPAJ-ZMSDIMECSA-N 1 0 326.419 4.053 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)Cc1nc(-c2ccccc2)no1)c1ccc(C#N)cc1 ZINC000377075785 1023366835 /nfs/dbraw/zinc/36/68/35/1023366835.db2.gz CVIKEAYZQUAEHI-KXBFYZLASA-N 1 0 346.434 4.280 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1)c1ccc(C#N)cc1 ZINC000175911883 1023415442 /nfs/dbraw/zinc/41/54/42/1023415442.db2.gz QOEMHOCMKXCMES-RDTXWAMCSA-N 1 0 325.843 4.141 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@@H]2CCCc3cccnc32)cc(OC)c1O ZINC000377248751 1023433032 /nfs/dbraw/zinc/43/30/32/1023433032.db2.gz HFTDHXKCOMEZNB-GOSISDBHSA-N 1 0 338.451 4.034 20 30 EIEDRO COc1ccc(C[N@H+](CCC(C)(C)C#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000549186231 1023448463 /nfs/dbraw/zinc/44/84/63/1023448463.db2.gz IVDASZRXWWAKBL-HNNXBMFYSA-N 1 0 330.472 4.244 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000276417345 1023480495 /nfs/dbraw/zinc/48/04/95/1023480495.db2.gz NGPWERHEOJFXDS-MRXNPFEDSA-N 1 0 341.499 4.310 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000276421145 1023485716 /nfs/dbraw/zinc/48/57/16/1023485716.db2.gz NWQJDTJTOVSOLD-UHFFFAOYSA-N 1 0 329.488 4.098 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)cc1 ZINC000377389026 1023505859 /nfs/dbraw/zinc/50/58/59/1023505859.db2.gz KRKOKKGCVUJVGN-FGZHOGPDSA-N 1 0 349.478 4.046 20 30 EIEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000472757328 1023507875 /nfs/dbraw/zinc/50/78/75/1023507875.db2.gz XOQHLGFNYZHSEC-OAQYLSRUSA-N 1 0 338.426 4.027 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCc4sc(Cl)cc43)n2c1 ZINC000377397247 1023508156 /nfs/dbraw/zinc/50/81/56/1023508156.db2.gz FYKLZYHFUDHLDQ-CQSZACIVSA-N 1 0 342.855 4.088 20 30 EIEDRO C=CCCn1cc(CNc2cc(O[C@H](C)c3ccccc3)cc[nH+]2)nn1 ZINC000656780800 1023518429 /nfs/dbraw/zinc/51/84/29/1023518429.db2.gz UGZLUWWNIOOWGL-MRXNPFEDSA-N 1 0 349.438 4.001 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(CN2CCCC2=O)cc1)c1ccco1 ZINC000276443345 1023541366 /nfs/dbraw/zinc/54/13/66/1023541366.db2.gz KNRCBTRWNPPVHS-LJQANCHMSA-N 1 0 338.451 4.199 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(C)c1OC ZINC000418143915 1023557458 /nfs/dbraw/zinc/55/74/58/1023557458.db2.gz JNGICLCCWFDHRO-IBGZPJMESA-N 1 0 336.435 4.051 20 30 EIEDRO C[C@@H]1CCc2nc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)sc2C1 ZINC000418140724 1023561711 /nfs/dbraw/zinc/56/17/11/1023561711.db2.gz FPJGWEUGXIJZJW-DYVFJYSZSA-N 1 0 337.492 4.307 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000418148512 1023566192 /nfs/dbraw/zinc/56/61/92/1023566192.db2.gz TXJHODCXKNQNGR-KRWDZBQOSA-N 1 0 335.432 4.442 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(-c2cccs2)n1 ZINC000418151458 1023567725 /nfs/dbraw/zinc/56/77/25/1023567725.db2.gz XIGZGGCMHCEJTR-GOSISDBHSA-N 1 0 348.475 4.187 20 30 EIEDRO C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1ccc(OCC#N)cc1 ZINC000276474399 1023573648 /nfs/dbraw/zinc/57/36/48/1023573648.db2.gz RYHJABRATAGVPQ-QFBILLFUSA-N 1 0 328.456 4.121 20 30 EIEDRO N#Cc1ccc2ncc(C[N@@H+]3CCCCC[C@H]3c3ccccc3)n2c1 ZINC000510450029 1023596111 /nfs/dbraw/zinc/59/61/11/1023596111.db2.gz QNKXLMITBZVKHH-FQEVSTJZSA-N 1 0 330.435 4.323 20 30 EIEDRO CCC[C@H](C)[N@@H+]1Cc2ccc(N=Cc3ccc(O)c(O)c3O)cc2C1 ZINC000255361914 1023598528 /nfs/dbraw/zinc/59/85/28/1023598528.db2.gz PYROESKVSWXKAD-ZDUSSCGKSA-N 1 0 340.423 4.058 20 30 EIEDRO C=C(Cl)C[NH+]1CCC2(C[C@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000377596207 1023621410 /nfs/dbraw/zinc/62/14/10/1023621410.db2.gz WUOXLGKYWAOWIL-HNNXBMFYSA-N 1 0 347.821 4.198 20 30 EIEDRO C=C(C)C[NH+]1CCC2(C[C@H]2c2nnc(-c3cccc(F)c3)o2)CC1 ZINC000377595707 1023621558 /nfs/dbraw/zinc/62/15/58/1023621558.db2.gz RCKMMQDNNIFCOB-INIZCTEOSA-N 1 0 327.403 4.021 20 30 EIEDRO CS[C@H](C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000583841417 1023624963 /nfs/dbraw/zinc/62/49/63/1023624963.db2.gz TUQKVQSNBWWDCQ-CQSZACIVSA-N 1 0 330.419 4.444 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@@H]2CCCc3ccccc32)cc(OC)c1O ZINC000500259432 1023629982 /nfs/dbraw/zinc/62/99/82/1023629982.db2.gz WNIHEDJEGSKTLV-IBGZPJMESA-N 1 0 337.463 4.339 20 30 EIEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759846010 1023717284 /nfs/dbraw/zinc/71/72/84/1023717284.db2.gz VCLFOTBWOZESHB-IBGZPJMESA-N 1 0 344.817 4.072 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@@H]2CCc3sc(Br)cc32)cc1 ZINC000581824106 1023733752 /nfs/dbraw/zinc/73/37/52/1023733752.db2.gz XIVJFBUPYUNBEI-CQSZACIVSA-N 1 0 347.281 4.354 20 30 EIEDRO Cc1cc(NCc2ccc(C#N)s2)ccc1OCC[NH+]1CCCC1 ZINC000176972477 1023736121 /nfs/dbraw/zinc/73/61/21/1023736121.db2.gz LAXWJQXLSGHOEL-UHFFFAOYSA-N 1 0 341.480 4.015 20 30 EIEDRO Cc1ccc(-c2nc(CC[NH2+][C@H](C)c3cccc(C#N)c3)co2)cc1 ZINC000181652403 1023765821 /nfs/dbraw/zinc/76/58/21/1023765821.db2.gz BTOASDCXAAVCLI-MRXNPFEDSA-N 1 0 331.419 4.415 20 30 EIEDRO N#Cc1cc(Cl)ccc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000187438719 1023785078 /nfs/dbraw/zinc/78/50/78/1023785078.db2.gz NNDIBVMJLDDOFX-MGPUTAFESA-N 1 0 340.854 4.469 20 30 EIEDRO COc1cc(C[NH2+][C@]2(c3ccc(Cl)cc3)C[C@H]2C)ccc1C#N ZINC000500399896 1023792420 /nfs/dbraw/zinc/79/24/20/1023792420.db2.gz QJXNDACWFDKHTL-BFUOFWGJSA-N 1 0 326.827 4.245 20 30 EIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000471758287 1023814845 /nfs/dbraw/zinc/81/48/45/1023814845.db2.gz KMCJMVVWJWOWIW-UHFFFAOYSA-N 1 0 343.515 4.039 20 30 EIEDRO C=CCc1cc(C[NH2+]CC2CCC(F)(F)CC2)cc(OC)c1O ZINC000500427444 1023823081 /nfs/dbraw/zinc/82/30/81/1023823081.db2.gz IGRJAKWZGLFUAR-UHFFFAOYSA-N 1 0 325.399 4.044 20 30 EIEDRO N#Cc1ccccc1Cn1cccc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000187607352 1023886967 /nfs/dbraw/zinc/88/69/67/1023886967.db2.gz NHWYGBOQRZTVAO-NRFANRHFSA-N 1 0 343.430 4.021 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000651670160 1024128968 /nfs/dbraw/zinc/12/89/68/1024128968.db2.gz XWCZWHZJZYZXTA-XLIONFOSSA-N 1 0 326.484 4.147 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000651680210 1024185290 /nfs/dbraw/zinc/18/52/90/1024185290.db2.gz BDTMJCLIFMGVLK-LZLYRXPVSA-N 1 0 333.472 4.116 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(c3ccc(OC)cc3)CCOCC2)C1 ZINC000651687035 1024198877 /nfs/dbraw/zinc/19/88/77/1024198877.db2.gz UHTZJGJGDSFPLB-IEBWSBKVSA-N 1 0 329.484 4.078 20 30 EIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(N2CCOC2=O)cc1 ZINC000278841820 1024201507 /nfs/dbraw/zinc/20/15/07/1024201507.db2.gz QXJYQTNQXUYFIY-HNNXBMFYSA-N 1 0 329.444 4.014 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000430913786 1024222122 /nfs/dbraw/zinc/22/21/22/1024222122.db2.gz YDAYJYLCWIPMEG-XMSQKQJNSA-N 1 0 334.463 4.343 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000661117526 1024246510 /nfs/dbraw/zinc/24/65/10/1024246510.db2.gz RMHYGTOWLQVYNI-ZFWWWQNUSA-N 1 0 340.389 4.368 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000661116713 1024247442 /nfs/dbraw/zinc/24/74/42/1024247442.db2.gz ZGHLSJMQLFZIQO-ZIAGYGMSSA-N 1 0 331.485 4.238 20 30 EIEDRO C[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181762560 1024254772 /nfs/dbraw/zinc/25/47/72/1024254772.db2.gz BOGVICOLLYVZKM-ROUUACIJSA-N 1 0 333.479 4.434 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)cc1Cl ZINC000651927776 1024269471 /nfs/dbraw/zinc/26/94/71/1024269471.db2.gz HSQPZQBKKRYRJE-LJQANCHMSA-N 1 0 335.875 4.200 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000605847190 1024285938 /nfs/dbraw/zinc/28/59/38/1024285938.db2.gz IUKIIYQCSDLVSH-SFHVURJKSA-N 1 0 343.515 4.169 20 30 EIEDRO CN(Cc1cc(C#N)cs1)Cc1ccc(Cl)nc1C(F)(F)F ZINC000933773207 1024296706 /nfs/dbraw/zinc/29/67/06/1024296706.db2.gz HDZAOBJXGVBMJX-UHFFFAOYSA-N 1 0 345.777 4.319 20 30 EIEDRO C=C(C)CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000510748846 1024392783 /nfs/dbraw/zinc/39/27/83/1024392783.db2.gz KFTKGPIPDVIZPT-UHFFFAOYSA-N 1 0 338.289 4.396 20 30 EIEDRO CC(C)OCCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000066905120 1024471232 /nfs/dbraw/zinc/47/12/32/1024471232.db2.gz DNULOCZGLTUZEN-UHFFFAOYSA-N 1 0 338.451 4.042 20 30 EIEDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000652306372 1024518084 /nfs/dbraw/zinc/51/80/84/1024518084.db2.gz URMVZGIKWSNRDF-PRHODGIISA-N 1 0 347.274 4.095 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2ccccc2C(F)(F)F)CCCC1 ZINC000661849378 1024593544 /nfs/dbraw/zinc/59/35/44/1024593544.db2.gz UCWOTWLYEJYCIS-UHFFFAOYSA-N 1 0 326.362 4.122 20 30 EIEDRO CC(C)(C)c1cccc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC001167784008 1024594891 /nfs/dbraw/zinc/59/48/91/1024594891.db2.gz DHXVJYNFDQAGKA-QFIPXVFZSA-N 1 0 347.506 4.367 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCCO2 ZINC000341761230 1024627447 /nfs/dbraw/zinc/62/74/47/1024627447.db2.gz OTDZEZFQHABGQJ-QRWLVFNGSA-N 1 0 348.446 4.448 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341762375 1024627693 /nfs/dbraw/zinc/62/76/93/1024627693.db2.gz URVZTDNVYJNFIX-LIRRHRJNSA-N 1 0 334.419 4.058 20 30 EIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C2CC(F)(F)C2)cc1 ZINC000431168680 1024765112 /nfs/dbraw/zinc/76/51/12/1024765112.db2.gz IUVCWJPWQRTTBK-UHFFFAOYSA-N 1 0 329.394 4.350 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000187662961 1024799619 /nfs/dbraw/zinc/79/96/19/1024799619.db2.gz XWVKRELKYONVKC-HBFSDRIKSA-N 1 0 325.500 4.206 20 30 EIEDRO CC(C)[C@@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CCS1 ZINC001167496169 1024834260 /nfs/dbraw/zinc/83/42/60/1024834260.db2.gz KLHUOWPRDZUAPF-INIZCTEOSA-N 1 0 343.414 4.010 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000662081304 1024847990 /nfs/dbraw/zinc/84/79/90/1024847990.db2.gz VOCRSALYQJZRBD-GASCZTMLSA-N 1 0 340.389 4.033 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000662079641 1024849171 /nfs/dbraw/zinc/84/91/71/1024849171.db2.gz LHPZYKAJOBZTKN-CWRNSKLLSA-N 1 0 327.403 4.428 20 30 EIEDRO N#CC1(CC[NH+]2CCC(C(=O)c3ccc(O)cc3)CC2)CCCCC1 ZINC000663154224 1024849439 /nfs/dbraw/zinc/84/94/39/1024849439.db2.gz ZXDGKYVHKJZUNQ-UHFFFAOYSA-N 1 0 340.467 4.151 20 30 EIEDRO N#CC1CCC(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549823445 1033253927 /nfs/dbraw/zinc/25/39/27/1033253927.db2.gz SXWVGVMRCRWLIQ-ZBCRRDGASA-N 1 0 347.300 4.226 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000610829676 1025051255 /nfs/dbraw/zinc/05/12/55/1025051255.db2.gz DNQDBDRCGLJDII-UONOGXRCSA-N 1 0 341.842 4.280 20 30 EIEDRO C[NH+](C)[C@H](C/N=C\c1ccccc1O)c1cccc(C(F)(F)F)c1 ZINC000588480355 1025155251 /nfs/dbraw/zinc/15/52/51/1025155251.db2.gz RYERJDHHJIIBTH-OLIBUNOHSA-N 1 0 336.357 4.133 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2ccc(Br)cc2C#N)c1F ZINC001216231005 1025177557 /nfs/dbraw/zinc/17/75/57/1025177557.db2.gz MVWJXQFJITZZQP-UHFFFAOYSA-N 1 0 348.219 4.265 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1C#N ZINC000610993029 1025227815 /nfs/dbraw/zinc/22/78/15/1025227815.db2.gz BEUFYOGQERIEEU-SFHVURJKSA-N 1 0 345.446 4.428 20 30 EIEDRO COc1ccc(CC[N@H+](Cc2ccnc(C#N)c2)CC(C)(C)C)cc1 ZINC000610993342 1025229827 /nfs/dbraw/zinc/22/98/27/1025229827.db2.gz NMENWOMHYAHJFG-UHFFFAOYSA-N 1 0 337.467 4.053 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000549829579 1033270246 /nfs/dbraw/zinc/27/02/46/1033270246.db2.gz XVMQGBOYORAJAU-UHFFFAOYSA-N 1 0 346.496 4.423 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCC(C)C)C2CC2)c1C ZINC000603848678 1025332233 /nfs/dbraw/zinc/33/22/33/1025332233.db2.gz CFKSJZURUNCAAJ-UHFFFAOYSA-N 1 0 341.499 4.061 20 30 EIEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167500920 1025359689 /nfs/dbraw/zinc/35/96/89/1025359689.db2.gz XQDLOEFKYUHWRD-GOEBONIOSA-N 1 0 347.890 4.016 20 30 EIEDRO COc1ccc(CC[C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)cc1O ZINC000277238188 1025369072 /nfs/dbraw/zinc/36/90/72/1025369072.db2.gz NZQZALSMXSFJFK-APWZRJJASA-N 1 0 338.451 4.357 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000510996559 1025381016 /nfs/dbraw/zinc/38/10/16/1025381016.db2.gz LPNSIZUZAZHYOK-HJZRJOMTSA-N 1 0 345.462 4.151 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/C[C@@H](c2cccs2)N(C)C)c(O)c1 ZINC000005227962 1025384402 /nfs/dbraw/zinc/38/44/02/1025384402.db2.gz FJQGLHRBCSUCMQ-NNIWKIFQSA-N 1 0 345.512 4.022 20 30 EIEDRO N#Cc1cccc(OCC[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC001167820251 1025424977 /nfs/dbraw/zinc/42/49/77/1025424977.db2.gz RRGWVSRVXIUOBM-UHFFFAOYSA-N 1 0 338.838 4.380 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](OC)c2ccccc2)cc1Cl ZINC000303185835 1025463750 /nfs/dbraw/zinc/46/37/50/1025463750.db2.gz LPBLLNNCSVVZFU-LJQANCHMSA-N 1 0 331.843 4.382 20 30 EIEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000426560471 1025575654 /nfs/dbraw/zinc/57/56/54/1025575654.db2.gz QDODFWHGOOSCKY-IBGZPJMESA-N 1 0 338.451 4.210 20 30 EIEDRO C=CCC[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000426600433 1025734738 /nfs/dbraw/zinc/73/47/38/1025734738.db2.gz HVEXULRRTVCXBF-ICSRJNTNSA-N 1 0 328.500 4.117 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)cc1Cl ZINC000467763653 1025738447 /nfs/dbraw/zinc/73/84/47/1025738447.db2.gz JVTIMIBHPVPSEQ-QZTJIDSGSA-N 1 0 345.874 4.375 20 30 EIEDRO Cn1c2ccc(Cl)cc2nc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000330360924 1025843527 /nfs/dbraw/zinc/84/35/27/1025843527.db2.gz XSDHPCBOAYMHAX-ZDUSSCGKSA-N 1 0 334.851 4.079 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OCC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000512051499 1025848405 /nfs/dbraw/zinc/84/84/05/1025848405.db2.gz ILLLXLFRTKAWQM-UHFFFAOYSA-N 1 0 342.389 4.390 20 30 EIEDRO C=CC[N@H+](CCc1ccccc1)Cc1cnc(-c2ccccn2)s1 ZINC000512050287 1025849638 /nfs/dbraw/zinc/84/96/38/1025849638.db2.gz CCZXDFZVHCHGCC-UHFFFAOYSA-N 1 0 335.476 4.436 20 30 EIEDRO CC(C)CC[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)C1CC1 ZINC000549624991 1025861217 /nfs/dbraw/zinc/86/12/17/1025861217.db2.gz MYVVMWDKDGLPEO-MHJFOBGBSA-N 1 0 341.499 4.448 20 30 EIEDRO C=CCC[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000187484574 1025864785 /nfs/dbraw/zinc/86/47/85/1025864785.db2.gz GNHXUHXLNNDNFK-OAQYLSRUSA-N 1 0 336.479 4.114 20 30 EIEDRO C[N@H+](Cc1cccnc1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000182034405 1025883849 /nfs/dbraw/zinc/88/38/49/1025883849.db2.gz HSAOVSLVKCTZEY-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1ccc(C#N)cc1F ZINC000519531542 1025964786 /nfs/dbraw/zinc/96/47/86/1025964786.db2.gz OFWJPQXKHAYSMH-LLVKDONJSA-N 1 0 337.320 4.004 20 30 EIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C12CCCCC2 ZINC001167533990 1025986228 /nfs/dbraw/zinc/98/62/28/1025986228.db2.gz PKYOEVQEMKTHNF-RBUKOAKNSA-N 1 0 330.447 4.257 20 30 EIEDRO N#C[C@H]1CC[C@H](Nc2ccc3[nH]cc(CC[NH+]4CCCC4)c3c2)CC1 ZINC001167845051 1025997587 /nfs/dbraw/zinc/99/75/87/1025997587.db2.gz MYZLYUIXUBZUEW-SAABIXHNSA-N 1 0 336.483 4.300 20 30 EIEDRO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)c2)cc1 ZINC000472141372 1026008406 /nfs/dbraw/zinc/00/84/06/1026008406.db2.gz BNBDELPSTLGOBG-VQIMIIECSA-N 1 0 333.435 4.029 20 30 EIEDRO N#CCCC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000582063521 1026052617 /nfs/dbraw/zinc/05/26/17/1026052617.db2.gz USJCSVZLGLYMEY-UHFFFAOYSA-N 1 0 339.395 4.371 20 30 EIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000550100597 1026097088 /nfs/dbraw/zinc/09/70/88/1026097088.db2.gz JUMBRVLYXKEQBQ-BBRMVZONSA-N 1 0 338.373 4.457 20 30 EIEDRO COc1cccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000111408926 1026161098 /nfs/dbraw/zinc/16/10/98/1026161098.db2.gz BQGORFICAIWHKY-UHFFFAOYSA-N 1 0 336.435 4.047 20 30 EIEDRO C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)c1nc(-c2ccccc2)no1 ZINC000182086238 1026212395 /nfs/dbraw/zinc/21/23/95/1026212395.db2.gz MQGKRPHDPNSWDT-HUUCEWRRSA-N 1 0 332.407 4.063 20 30 EIEDRO Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+]CCCC#N)c1 ZINC000344310258 1026232777 /nfs/dbraw/zinc/23/27/77/1026232777.db2.gz VDYPFMKPPRIAOP-UHFFFAOYSA-N 1 0 348.425 4.380 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000926377724 1026287798 /nfs/dbraw/zinc/28/77/98/1026287798.db2.gz LWIHPSBYWWUEKP-ABAIWWIYSA-N 1 0 336.277 4.213 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000344372730 1026318801 /nfs/dbraw/zinc/31/88/01/1026318801.db2.gz FSBURAYPBNSXRR-UHFFFAOYSA-N 1 0 337.448 4.060 20 30 EIEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000119976098 1026324295 /nfs/dbraw/zinc/32/42/95/1026324295.db2.gz RLCLARZJGUASND-UHFFFAOYSA-N 1 0 326.827 4.389 20 30 EIEDRO N#Cc1cc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cs1 ZINC000892224421 1026354007 /nfs/dbraw/zinc/35/40/07/1026354007.db2.gz DMNMXCMEYHBCFF-DOTOQJQBSA-N 1 0 330.453 4.081 20 30 EIEDRO CC(C)N1CC[C@@H]([NH2+]CCCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000279379076 1026402674 /nfs/dbraw/zinc/40/26/74/1026402674.db2.gz XTFKYOPSJSSCBN-QZTJIDSGSA-N 1 0 337.870 4.286 20 30 EIEDRO COc1ccccc1C(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000611588158 1026484391 /nfs/dbraw/zinc/48/43/91/1026484391.db2.gz WMNAEVMZYWIQFZ-AWEZNQCLSA-N 1 0 326.415 4.334 20 30 EIEDRO CCC1(CNc2ncccc2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000338289190 1026517707 /nfs/dbraw/zinc/51/77/07/1026517707.db2.gz OJYHNQTXKPYRNI-UHFFFAOYSA-N 1 0 334.467 4.058 20 30 EIEDRO N#CCCn1cc(C[NH2+][C@H]2CCCC(F)(F)C2)c(-c2ccccc2)n1 ZINC000344771702 1026586825 /nfs/dbraw/zinc/58/68/25/1026586825.db2.gz JIQBEHDWTGOCGT-KRWDZBQOSA-N 1 0 344.409 4.131 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)cc1OCCCC#N ZINC000344786020 1026596052 /nfs/dbraw/zinc/59/60/52/1026596052.db2.gz CPOFIRDVGQUYNI-OAHLLOKOSA-N 1 0 338.398 4.045 20 30 EIEDRO CCC(C)(C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000512261786 1026604990 /nfs/dbraw/zinc/60/49/90/1026604990.db2.gz PVXYFJLNGTYHDO-UHFFFAOYSA-N 1 0 344.503 4.151 20 30 EIEDRO CCC1(C)CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000507175928 1026674527 /nfs/dbraw/zinc/67/45/27/1026674527.db2.gz AVNVWQYARQVCNL-UHFFFAOYSA-N 1 0 341.499 4.062 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)s1)Cc1cccc(Br)c1 ZINC000507172621 1026687015 /nfs/dbraw/zinc/68/70/15/1026687015.db2.gz GBYDBLAQTLYHLZ-UHFFFAOYSA-N 1 0 335.270 4.404 20 30 EIEDRO C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000507218075 1026706678 /nfs/dbraw/zinc/70/66/78/1026706678.db2.gz ZPMZYLBDAGEALP-UHFFFAOYSA-N 1 0 336.826 4.234 20 30 EIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000657454907 1026778554 /nfs/dbraw/zinc/77/85/54/1026778554.db2.gz OBCUILFBCJQONL-OXQOHEQNSA-N 1 0 342.414 4.084 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2cccc3[nH]ccc32)cc1OC ZINC000500482778 1026788519 /nfs/dbraw/zinc/78/85/19/1026788519.db2.gz LHGSGSXPSHIAAM-UHFFFAOYSA-N 1 0 336.435 4.074 20 30 EIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000512360120 1026803074 /nfs/dbraw/zinc/80/30/74/1026803074.db2.gz SIAPEVLQJQJPAU-NHCUHLMSSA-N 1 0 344.462 4.364 20 30 EIEDRO C=CCCOCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000391413804 1026815031 /nfs/dbraw/zinc/81/50/31/1026815031.db2.gz NEGAEALHXNXWRP-UHFFFAOYSA-N 1 0 341.295 4.407 20 30 EIEDRO CCc1cccnc1[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000507516280 1026816933 /nfs/dbraw/zinc/81/69/33/1026816933.db2.gz XDEBQNHELFFFBA-OAHLLOKOSA-N 1 0 325.481 4.100 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000507508448 1026820804 /nfs/dbraw/zinc/82/08/04/1026820804.db2.gz IVRGHEQGMIGDCK-HZPDHXFCSA-N 1 0 334.529 4.262 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(F)(F)F ZINC000479597932 1026850409 /nfs/dbraw/zinc/85/04/09/1026850409.db2.gz BIKRFHJMVQYOEG-AWEZNQCLSA-N 1 0 348.368 4.425 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000375719725 1026851646 /nfs/dbraw/zinc/85/16/46/1026851646.db2.gz OQGDFAUUESPBRD-OAQYLSRUSA-N 1 0 330.435 4.200 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CC(F)(F)C3)c2)c1 ZINC000277758793 1026879893 /nfs/dbraw/zinc/87/98/93/1026879893.db2.gz WZKAMEOEQOMREA-UHFFFAOYSA-N 1 0 328.362 4.025 20 30 EIEDRO C=CCCCCC[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664937351 1026925618 /nfs/dbraw/zinc/92/56/18/1026925618.db2.gz BHQAVEDWHRLXDM-UHFFFAOYSA-N 1 0 329.419 4.195 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000128074552 1026937526 /nfs/dbraw/zinc/93/75/26/1026937526.db2.gz BEYMKROOFCADGG-UHFFFAOYSA-N 1 0 328.415 4.050 20 30 EIEDRO CC[N@H+](CCCCC(C)(C)C#N)CC1CCN(c2ccccn2)CC1 ZINC000277791960 1026952141 /nfs/dbraw/zinc/95/21/41/1026952141.db2.gz SRSVGPYOICZDQI-UHFFFAOYSA-N 1 0 342.531 4.340 20 30 EIEDRO CCCN(Cc1nc(-c2ccc(C)cc2)no1)Cc1ccc(C#N)cc1 ZINC000051855187 1026958371 /nfs/dbraw/zinc/95/83/71/1026958371.db2.gz SGMWPHUUDHWJLO-UHFFFAOYSA-N 1 0 346.434 4.329 20 30 EIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342768755 1026970601 /nfs/dbraw/zinc/97/06/01/1026970601.db2.gz NCEHXAWTXORLJW-LJQANCHMSA-N 1 0 348.450 4.092 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342806763 1027074552 /nfs/dbraw/zinc/07/45/52/1027074552.db2.gz AXPGEEMRCHCAQE-HXUWFJFHSA-N 1 0 330.435 4.034 20 30 EIEDRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000520043936 1027147442 /nfs/dbraw/zinc/14/74/42/1027147442.db2.gz BJHRVCRPWIYKQG-UHFFFAOYSA-N 1 0 348.368 4.478 20 30 EIEDRO COc1ccc(OCC[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000520174040 1027275984 /nfs/dbraw/zinc/27/59/84/1027275984.db2.gz PNQYRSIXHMKBLS-UHFFFAOYSA-N 1 0 338.451 4.104 20 30 EIEDRO Cc1ccccc1O[C@@H](C)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237376534 1027308502 /nfs/dbraw/zinc/30/85/02/1027308502.db2.gz WXDHADAJGMUWBD-SFHVURJKSA-N 1 0 338.451 4.235 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000611717933 1027325364 /nfs/dbraw/zinc/32/53/64/1027325364.db2.gz RMSYNYSCTUDAFO-UHFFFAOYSA-N 1 0 343.515 4.039 20 30 EIEDRO N#Cc1cnc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c(Cl)c1 ZINC000520243421 1027347105 /nfs/dbraw/zinc/34/71/05/1027347105.db2.gz DFRRYHACHJWDQX-MRXNPFEDSA-N 1 0 332.879 4.063 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(-c3scnc3C)cc2)CCOCC1 ZINC000657634150 1027349565 /nfs/dbraw/zinc/34/95/65/1027349565.db2.gz DAZUELNANFSGBL-UHFFFAOYSA-N 1 0 328.481 4.333 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CCOCC1 ZINC000657634061 1027350504 /nfs/dbraw/zinc/35/05/04/1027350504.db2.gz ADDKTSAZHHYQDW-UHFFFAOYSA-N 1 0 342.414 4.228 20 30 EIEDRO N#Cc1cc(F)ccc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000520307391 1027411004 /nfs/dbraw/zinc/41/10/04/1027411004.db2.gz XTIOWLXXDMLUAK-UHFFFAOYSA-N 1 0 343.833 4.063 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(F)c(C)c2)cc1OCCCC#N ZINC000119992009 1027428786 /nfs/dbraw/zinc/42/87/86/1027428786.db2.gz QXOGHUJSZMLESN-UHFFFAOYSA-N 1 0 342.414 4.115 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCc3occc32)cc1OCCCC#N ZINC000119996697 1027430044 /nfs/dbraw/zinc/43/00/44/1027430044.db2.gz LNFHSDSIFCJZBI-KRWDZBQOSA-N 1 0 340.423 4.138 20 30 EIEDRO CN(C)c1ccccc1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000520388390 1027500855 /nfs/dbraw/zinc/50/08/55/1027500855.db2.gz ROOJYCHGYIECFZ-UHFFFAOYSA-N 1 0 349.478 4.104 20 30 EIEDRO CCOC[C@H]1CCC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000474815178 1027538055 /nfs/dbraw/zinc/53/80/55/1027538055.db2.gz DSAHWYQRZIUMLJ-YNIZLOQISA-N 1 0 342.483 4.043 20 30 EIEDRO COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1 ZINC000329156561 1027616045 /nfs/dbraw/zinc/61/60/45/1027616045.db2.gz VSBCDZCKJUFZCQ-LSDHHAIUSA-N 1 0 346.471 4.192 20 30 EIEDRO COC1(C[NH2+]Cc2cc(C#N)cs2)CCC(c2ccccc2)CC1 ZINC000571678000 1027628922 /nfs/dbraw/zinc/62/89/22/1027628922.db2.gz KOLNPZRESUJRJB-UHFFFAOYSA-N 1 0 340.492 4.452 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000329195792 1027638996 /nfs/dbraw/zinc/63/89/96/1027638996.db2.gz UKPGFCAUEIRTEK-VGUOSERISA-N 1 0 339.483 4.183 20 30 EIEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccccc2OC(F)F)cc1 ZINC000303791278 1027657921 /nfs/dbraw/zinc/65/79/21/1027657921.db2.gz XGVBIPBYQJSOSK-UHFFFAOYSA-N 1 0 349.381 4.002 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1F ZINC000550393692 1027744771 /nfs/dbraw/zinc/74/47/71/1027744771.db2.gz ZABZYGBDQMENEV-KRWDZBQOSA-N 1 0 330.790 4.004 20 30 EIEDRO C[C@H](NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)[C@@H]1CCCO1 ZINC000329449216 1027786035 /nfs/dbraw/zinc/78/60/35/1027786035.db2.gz MNRYMTFQUMJSAY-LESCRADOSA-N 1 0 345.487 4.017 20 30 EIEDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ccc(Cl)c(C#N)n1 ZINC000067368027 1027788882 /nfs/dbraw/zinc/78/88/82/1027788882.db2.gz QUIHOWKHCQZYTH-UHFFFAOYSA-N 1 0 328.847 4.059 20 30 EIEDRO CCOc1cc2c(cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C)O[C@@H](C)C2 ZINC000328753401 1027804252 /nfs/dbraw/zinc/80/42/52/1027804252.db2.gz DGQIZKMAJZAKKY-CABCVRRESA-N 1 0 346.471 4.261 20 30 EIEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000328752013 1027804645 /nfs/dbraw/zinc/80/46/45/1027804645.db2.gz CRNJCJSOVYQRDS-MRXNPFEDSA-N 1 0 343.471 4.056 20 30 EIEDRO C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000329470518 1027804668 /nfs/dbraw/zinc/80/46/68/1027804668.db2.gz YXJLZLUBILREMJ-WMLDXEAASA-N 1 0 338.455 4.155 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C)cc1 ZINC000583003642 1027828560 /nfs/dbraw/zinc/82/85/60/1027828560.db2.gz OTOFRBNHPYIKGT-UHFFFAOYSA-N 1 0 335.451 4.108 20 30 EIEDRO C[C@H](CCc1ccc(O)cc1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000328914470 1027836047 /nfs/dbraw/zinc/83/60/47/1027836047.db2.gz QFBQUZMRVNDQQG-DNVCBOLYSA-N 1 0 330.472 4.077 20 30 EIEDRO CC(C)C[NH+]1CCC(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)CC1 ZINC000330539743 1027866792 /nfs/dbraw/zinc/86/67/92/1027866792.db2.gz VEWIXXXCNCIETO-UHFFFAOYSA-N 1 0 348.535 4.187 20 30 EIEDRO CCC[N@H+](CCCCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000444591421 1027878886 /nfs/dbraw/zinc/87/88/86/1027878886.db2.gz NNYHAUUJWMGNBV-KRWDZBQOSA-N 1 0 330.472 4.258 20 30 EIEDRO COc1ccccc1C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1CCCO1 ZINC000444597519 1027894144 /nfs/dbraw/zinc/89/41/44/1027894144.db2.gz RPMPVPSTXIQQEH-IBGZPJMESA-N 1 0 344.499 4.396 20 30 EIEDRO C=CC[N@H+](CCOC)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444698006 1027983087 /nfs/dbraw/zinc/98/30/87/1027983087.db2.gz RMLQSEAEFMYEDZ-UHFFFAOYSA-N 1 0 334.463 4.021 20 30 EIEDRO Cc1cc(C)cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000444711842 1028001567 /nfs/dbraw/zinc/00/15/67/1028001567.db2.gz XQYKVYJPHACOCX-UHFFFAOYSA-N 1 0 344.462 4.208 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3cccc(Cl)c3)C1)CC2 ZINC000583114122 1028026054 /nfs/dbraw/zinc/02/60/54/1028026054.db2.gz WUFQPOHSYWDGBV-PXNSSMCTSA-N 1 0 337.854 4.067 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCCC1(C)C ZINC000444784027 1028055240 /nfs/dbraw/zinc/05/52/40/1028055240.db2.gz MNTYZUCZEJNYOX-QGZVFWFLSA-N 1 0 346.427 4.028 20 30 EIEDRO CCC1(CC)C[N@H+](CCC(=O)Nc2sccc2C#N)CCS1 ZINC000329780176 1028119682 /nfs/dbraw/zinc/11/96/82/1028119682.db2.gz RQTQBHLXOBAJFO-UHFFFAOYSA-N 1 0 337.514 4.205 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@@](C)(CO)C2CCCCC2)ccc1OC ZINC000523519438 1028172920 /nfs/dbraw/zinc/17/29/20/1028172920.db2.gz JYKWWHWEDVFGSM-NRFANRHFSA-N 1 0 347.499 4.071 20 30 EIEDRO CC[C@@H](CSc1ccccc1)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440610626 1028201376 /nfs/dbraw/zinc/20/13/76/1028201376.db2.gz JKBCKXDXYVVEQY-KRWDZBQOSA-N 1 0 326.465 4.227 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@H](O)C(C)C)cc1 ZINC000657741555 1028218562 /nfs/dbraw/zinc/21/85/62/1028218562.db2.gz HFWMSNCQXGOOFH-NHCUHLMSSA-N 1 0 325.452 4.099 20 30 EIEDRO Cc1oc2ccc(NC(=O)NCC3(C)CC[NH+](C)CC3)cc2c1C ZINC000330175651 1028219937 /nfs/dbraw/zinc/21/99/37/1028219937.db2.gz ZVRQCMZXMULSKT-UHFFFAOYSA-N 1 0 329.444 4.107 20 30 EIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(F)cc1F ZINC000440631634 1028266620 /nfs/dbraw/zinc/26/66/20/1028266620.db2.gz ANVZUNZMSIQSQC-GOSISDBHSA-N 1 0 330.378 4.476 20 30 EIEDRO CC(C)[N@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccc(C#N)cc1 ZINC000346143543 1028279604 /nfs/dbraw/zinc/27/96/04/1028279604.db2.gz DITHDDYHEZWPJH-UHFFFAOYSA-N 1 0 336.464 4.216 20 30 EIEDRO Cc1cc(C)n(-c2cccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c2)n1 ZINC000330297674 1028283279 /nfs/dbraw/zinc/28/32/79/1028283279.db2.gz LAMUOLMLFMUPPA-SFHVURJKSA-N 1 0 340.471 4.342 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC2CCCCC2)C(C)C)CC1 ZINC000523744302 1028348312 /nfs/dbraw/zinc/34/83/12/1028348312.db2.gz WRGCXRZUGVPZKJ-FQEVSTJZSA-N 1 0 334.548 4.386 20 30 EIEDRO CCC1(CC)CCC[N@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000346473635 1028446441 /nfs/dbraw/zinc/44/64/41/1028446441.db2.gz RGWHZISKFBKMAH-UHFFFAOYSA-N 1 0 333.501 4.241 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)ccc1C#N ZINC000583292359 1028448533 /nfs/dbraw/zinc/44/85/33/1028448533.db2.gz GFXHLRYRZKABFI-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO C[C@H](CCc1ccc(Br)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC000237483216 1028589436 /nfs/dbraw/zinc/58/94/36/1028589436.db2.gz DVKZXOZMYUXRCK-GFCCVEGCSA-N 1 0 349.297 4.493 20 30 EIEDRO C=CCn1c(-c2ccccc2C)nn(CN2CCC[C@@H]2C)c1=S ZINC000161711675 1028747383 /nfs/dbraw/zinc/74/73/83/1028747383.db2.gz XTOIUQWEKDAJMV-HNNXBMFYSA-N 1 0 328.485 4.017 20 30 EIEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(Cl)cc1 ZINC000444057431 1028770158 /nfs/dbraw/zinc/77/01/58/1028770158.db2.gz MSSTWBWBXXGNDZ-UHFFFAOYSA-N 1 0 341.842 4.062 20 30 EIEDRO COc1cc(C[NH2+]CCSc2ccc(Cl)cc2)ccc1C#N ZINC000440815735 1028801835 /nfs/dbraw/zinc/80/18/35/1028801835.db2.gz WDGNNFCQYNKUJH-UHFFFAOYSA-N 1 0 332.856 4.102 20 30 EIEDRO CCCC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000524252702 1028816691 /nfs/dbraw/zinc/81/66/91/1028816691.db2.gz WRCGOVRSQHMBLJ-GOSISDBHSA-N 1 0 349.478 4.038 20 30 EIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CCCC1(C#N)CCOCC1 ZINC000281878830 1028907419 /nfs/dbraw/zinc/90/74/19/1028907419.db2.gz CVNJYKAHNCLHTG-IBGZPJMESA-N 1 0 344.499 4.473 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000278347242 1028953037 /nfs/dbraw/zinc/95/30/37/1028953037.db2.gz YLKQXHMZEBCGEF-IIBYNOLFSA-N 1 0 347.462 4.487 20 30 EIEDRO N#CC1(CCC[N@H+]2CCC[C@H]2Cc2ccccc2Cl)CCOCC1 ZINC000281963983 1029025665 /nfs/dbraw/zinc/02/56/65/1029025665.db2.gz KPNXZPMPWLIENR-SFHVURJKSA-N 1 0 346.902 4.447 20 30 EIEDRO N#Cc1ccc(Cl)cc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000522936281 1029117394 /nfs/dbraw/zinc/11/73/94/1029117394.db2.gz VQMLZGGXUNCGFI-UHFFFAOYSA-N 1 0 325.843 4.072 20 30 EIEDRO C=CCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(F)cc2)C1 ZINC000524811924 1029236785 /nfs/dbraw/zinc/23/67/85/1029236785.db2.gz UCHWSAQKNQNAPM-UHFFFAOYSA-N 1 0 339.414 4.404 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1nc2ccc(OC)cc2s1 ZINC000475104125 1029257510 /nfs/dbraw/zinc/25/75/10/1029257510.db2.gz OWZGAAPIRBDHCR-UHFFFAOYSA-N 1 0 328.437 4.129 20 30 EIEDRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1cc(C#N)cs1 ZINC000237428132 1029284550 /nfs/dbraw/zinc/28/45/50/1029284550.db2.gz NMQOIZKMNHWKKI-LLVKDONJSA-N 1 0 340.370 4.196 20 30 EIEDRO Cc1ccnc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c1C#N ZINC000343499968 1029373765 /nfs/dbraw/zinc/37/37/65/1029373765.db2.gz AZPIMECKKPTDQD-UHFFFAOYSA-N 1 0 334.467 4.106 20 30 EIEDRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C#N)cc1 ZINC000026128094 1029438432 /nfs/dbraw/zinc/43/84/32/1029438432.db2.gz XTZWGVDONSYCPB-KRWDZBQOSA-N 1 0 347.462 4.035 20 30 EIEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)c1 ZINC000343543253 1029461049 /nfs/dbraw/zinc/46/10/49/1029461049.db2.gz XXZAPCIHBHMXEC-GOSISDBHSA-N 1 0 326.827 4.258 20 30 EIEDRO N#Cc1c(F)ccc(CNc2[nH+]ccn2Cc2ccccc2)c1Cl ZINC000508472527 1029467028 /nfs/dbraw/zinc/46/70/28/1029467028.db2.gz QRNPTOOEKUPYFY-UHFFFAOYSA-N 1 0 340.789 4.208 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000158814620 1029591543 /nfs/dbraw/zinc/59/15/43/1029591543.db2.gz PQSHALWZMFUQCT-QFIPXVFZSA-N 1 0 336.479 4.320 20 30 EIEDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807123 1029640518 /nfs/dbraw/zinc/64/05/18/1029640518.db2.gz HXVSQEBORBMCNM-QGZVFWFLSA-N 1 0 344.462 4.242 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(OCC#N)cc1 ZINC000192914803 1029646799 /nfs/dbraw/zinc/64/67/99/1029646799.db2.gz KODKQXJKBKDMDO-CYBMUJFWSA-N 1 0 334.341 4.459 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000657832432 1029652817 /nfs/dbraw/zinc/65/28/17/1029652817.db2.gz CWUVMRGZBOMPSX-VQTJNVASSA-N 1 0 326.484 4.034 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000049596041 1029653668 /nfs/dbraw/zinc/65/36/68/1029653668.db2.gz JRDWGLNUVBOMSV-CYBMUJFWSA-N 1 0 345.240 4.050 20 30 EIEDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000193000805 1029655804 /nfs/dbraw/zinc/65/58/04/1029655804.db2.gz LPXYDEGWWWRWCW-LSDHHAIUSA-N 1 0 340.423 4.018 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(OCC#N)cc1 ZINC000193021812 1029658715 /nfs/dbraw/zinc/65/87/15/1029658715.db2.gz IDCLREXKVOGTSN-QEJZJMRPSA-N 1 0 326.362 4.361 20 30 EIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1csc2ccccc12 ZINC000584315364 1029731545 /nfs/dbraw/zinc/73/15/45/1029731545.db2.gz VOWKLXJOVVDGMD-UHFFFAOYSA-N 1 0 336.460 4.422 20 30 EIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000118398969 1029835969 /nfs/dbraw/zinc/83/59/69/1029835969.db2.gz MGSHBDCUFYXSFC-OAHLLOKOSA-N 1 0 330.435 4.375 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000136725363 1029842598 /nfs/dbraw/zinc/84/25/98/1029842598.db2.gz JCVFZLLEDRRVRE-LJQANCHMSA-N 1 0 341.499 4.008 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000089639558 1029851499 /nfs/dbraw/zinc/85/14/99/1029851499.db2.gz CMTUFCQSNCCXAF-KRWDZBQOSA-N 1 0 335.536 4.218 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN(c3ccccc3)C1)CC2 ZINC000584439875 1029868851 /nfs/dbraw/zinc/86/88/51/1029868851.db2.gz QBFBIIJLBOVAHA-XMSQKQJNSA-N 1 0 331.463 4.052 20 30 EIEDRO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccncc1)c1ccc(OCC#N)cc1 ZINC000181586627 1029903520 /nfs/dbraw/zinc/90/35/20/1029903520.db2.gz WCIPAUMIDBLGFU-JTSKRJEESA-N 1 0 343.430 4.424 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cc2ccccc2o1 ZINC000181756471 1029917974 /nfs/dbraw/zinc/91/79/74/1029917974.db2.gz LNCINZYCXVAWOQ-MRXNPFEDSA-N 1 0 347.418 4.030 20 30 EIEDRO CC#CCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447390614 1030057905 /nfs/dbraw/zinc/05/79/05/1030057905.db2.gz BIURDMIIONATTL-MRXNPFEDSA-N 1 0 340.492 4.412 20 30 EIEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184536503 1030074745 /nfs/dbraw/zinc/07/47/45/1030074745.db2.gz JXXPCYGDTFQWQB-QUCCMNQESA-N 1 0 332.463 4.344 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1 ZINC000447518183 1030114143 /nfs/dbraw/zinc/11/41/43/1030114143.db2.gz VJWWQQMTANXGSV-WOJBJXKFSA-N 1 0 325.431 4.041 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1 ZINC000447518182 1030114887 /nfs/dbraw/zinc/11/48/87/1030114887.db2.gz VJWWQQMTANXGSV-VQTJNVASSA-N 1 0 325.431 4.041 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)c1ccc(C#N)cc1 ZINC000447521067 1030116438 /nfs/dbraw/zinc/11/64/38/1030116438.db2.gz VNGCIVCIUYJWEF-FCHUYYIVSA-N 1 0 333.479 4.436 20 30 EIEDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2OC)C1)c1ccc(C#N)cc1 ZINC000447534253 1030139955 /nfs/dbraw/zinc/13/99/55/1030139955.db2.gz VWPHPTBGINXWJK-QUCCMNQESA-N 1 0 349.478 4.134 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2cccc(OC)c2)C1)c1ccc(C#N)cc1 ZINC000447536925 1030141483 /nfs/dbraw/zinc/14/14/83/1030141483.db2.gz RIKZQPWREOUKLR-DENIHFKCSA-N 1 0 349.478 4.277 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2cccs2)cc1 ZINC000375767871 1030143811 /nfs/dbraw/zinc/14/38/11/1030143811.db2.gz KBXYYIJXOXFBGF-UHFFFAOYSA-N 1 0 339.464 4.003 20 30 EIEDRO CCC[C@H]([NH2+][C@H](CC)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000447540114 1030143905 /nfs/dbraw/zinc/14/39/05/1030143905.db2.gz BZWJKIGMHCMCIM-MSOLQXFVSA-N 1 0 333.439 4.183 20 30 EIEDRO CCC[C@H]([NH2+][C@@H](CC)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000447540274 1030144251 /nfs/dbraw/zinc/14/42/51/1030144251.db2.gz BZWJKIGMHCMCIM-ROUUACIJSA-N 1 0 333.439 4.183 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450980480 1030157678 /nfs/dbraw/zinc/15/76/78/1030157678.db2.gz FCYANIBEJWOJRG-WIYYLYMNSA-N 1 0 341.499 4.007 20 30 EIEDRO CC[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000447559591 1030168415 /nfs/dbraw/zinc/16/84/15/1030168415.db2.gz ABRMQURRENYQCC-OAQYLSRUSA-N 1 0 325.500 4.396 20 30 EIEDRO CC[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447562769 1030172632 /nfs/dbraw/zinc/17/26/32/1030172632.db2.gz MXJXAUFFUYJZCD-OAQYLSRUSA-N 1 0 344.462 4.086 20 30 EIEDRO CC[C@@H]([NH2+]C[C@H](C)COc1ccccc1OC)c1ccc(C#N)cc1 ZINC000447585499 1030183620 /nfs/dbraw/zinc/18/36/20/1030183620.db2.gz JKKCVKLQKFTZJQ-QFBILLFUSA-N 1 0 338.451 4.323 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1ccc(C#N)cc1 ZINC000447585651 1030184618 /nfs/dbraw/zinc/18/46/18/1030184618.db2.gz JSDBZRFCSAERFM-APWZRJJASA-N 1 0 341.405 4.156 20 30 EIEDRO CC[C@@H]([NH2+]CCCc1cc(OC)ccc1OC)c1ccc(C#N)cc1 ZINC000447589765 1030192791 /nfs/dbraw/zinc/19/27/91/1030192791.db2.gz YWRQZMMXKJBFIG-HXUWFJFHSA-N 1 0 338.451 4.249 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000447595892 1030199245 /nfs/dbraw/zinc/19/92/45/1030199245.db2.gz AYMZFALKDXOHLL-HSQYWUDLSA-N 1 0 333.479 4.119 20 30 EIEDRO CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1C)c1ccc(C#N)cc1 ZINC000447600765 1030218353 /nfs/dbraw/zinc/21/83/53/1030218353.db2.gz NLGRJJIFRCFHKE-NRFANRHFSA-N 1 0 330.435 4.293 20 30 EIEDRO CC[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000447599671 1030219039 /nfs/dbraw/zinc/21/90/39/1030219039.db2.gz KKHOUVZSVFHNTP-IXDOHACOSA-N 1 0 340.389 4.083 20 30 EIEDRO CC[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1ccc(C#N)cc1 ZINC000447599673 1030220407 /nfs/dbraw/zinc/22/04/07/1030220407.db2.gz KKHOUVZSVFHNTP-YESZJQIVSA-N 1 0 340.389 4.083 20 30 EIEDRO CC(C)(CO)[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000429721380 1030236675 /nfs/dbraw/zinc/23/66/75/1030236675.db2.gz HHFJWAHTWONXJX-LJQANCHMSA-N 1 0 327.855 4.041 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N(C)CC3CC[NH+](C)CC3)c2c1 ZINC000447671550 1030262824 /nfs/dbraw/zinc/26/28/24/1030262824.db2.gz QZQHJZXDXKDDNM-UHFFFAOYSA-N 1 0 336.483 4.008 20 30 EIEDRO Oc1cccc2c1CC[C@H]2[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000451179959 1030284792 /nfs/dbraw/zinc/28/47/92/1030284792.db2.gz SBBHXPKEVJEMFM-QGZVFWFLSA-N 1 0 331.337 4.040 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000451178813 1030286462 /nfs/dbraw/zinc/28/64/62/1030286462.db2.gz BCTMAIQTRXFACZ-FUHIMQAGSA-N 1 0 347.462 4.153 20 30 EIEDRO CC[C@H](C)c1ccc([C@H]([NH2+]CC(=O)NC2(C#N)CCC2)C(C)C)cc1 ZINC000526135884 1030293142 /nfs/dbraw/zinc/29/31/42/1030293142.db2.gz OVJQSNGXYMFDTE-OXJNMPFZSA-N 1 0 341.499 4.049 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21)c1ccc(C#N)cc1 ZINC000530321398 1030313133 /nfs/dbraw/zinc/31/31/33/1030313133.db2.gz NKNZIOOBQBNYIJ-KKSFZXQISA-N 1 0 342.446 4.472 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(Br)cn2)cc1 ZINC000526992720 1030387018 /nfs/dbraw/zinc/38/70/18/1030387018.db2.gz YQBZJAYBLMEWSJ-CYBMUJFWSA-N 1 0 347.256 4.260 20 30 EIEDRO N#CCCC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000188191247 1030387687 /nfs/dbraw/zinc/38/76/87/1030387687.db2.gz VTRRTGGLXWTACA-HNNXBMFYSA-N 1 0 325.225 4.323 20 30 EIEDRO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000451316134 1030392685 /nfs/dbraw/zinc/39/26/85/1030392685.db2.gz AGHRFZHNTJIRBR-FQEVSTJZSA-N 1 0 340.511 4.151 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000451418156 1030481281 /nfs/dbraw/zinc/48/12/81/1030481281.db2.gz MEORTLBNGUXZGY-ZLNRFVROSA-N 1 0 346.474 4.351 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000657915704 1030554986 /nfs/dbraw/zinc/55/49/86/1030554986.db2.gz NJCMJHFXELPPNE-FXAWDEMLSA-N 1 0 326.484 4.034 20 30 EIEDRO N#CCC[C@@H](C#N)CN1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000451526103 1030554931 /nfs/dbraw/zinc/55/49/31/1030554931.db2.gz HIOBIUJQSADYLS-INIZCTEOSA-N 1 0 333.838 4.130 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc2c(c1)CCO2 ZINC000897419341 1030615366 /nfs/dbraw/zinc/61/53/66/1030615366.db2.gz GOFVIIJAVKVAGZ-MRXNPFEDSA-N 1 0 336.435 4.155 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCC1CC[NH+](C)CC1 ZINC000191480064 1030623985 /nfs/dbraw/zinc/62/39/85/1030623985.db2.gz VGJQHNLAXKZFKF-UHFFFAOYSA-N 1 0 329.488 4.002 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000191440234 1030625065 /nfs/dbraw/zinc/62/50/65/1030625065.db2.gz JPNJPASWMVAMBL-QGZVFWFLSA-N 1 0 343.515 4.392 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000527489766 1030724936 /nfs/dbraw/zinc/72/49/36/1030724936.db2.gz WHDPHHHCZQRIMU-HKUYNNGSSA-N 1 0 334.891 4.195 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cccc(Br)c1 ZINC000399250263 1030746608 /nfs/dbraw/zinc/74/66/08/1030746608.db2.gz LGMAVHOHKIUHSF-CYBMUJFWSA-N 1 0 329.241 4.366 20 30 EIEDRO CC(C)(C)c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1 ZINC000548858598 1030788609 /nfs/dbraw/zinc/78/86/09/1030788609.db2.gz PUHABNWGWWQHQO-UHFFFAOYSA-N 1 0 333.479 4.436 20 30 EIEDRO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000127581201 1030799915 /nfs/dbraw/zinc/79/99/15/1030799915.db2.gz MPZJRDWDBZXRQH-HZPDHXFCSA-N 1 0 349.478 4.361 20 30 EIEDRO Cn1cc(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)cc1C#N ZINC000191224290 1030802771 /nfs/dbraw/zinc/80/27/71/1030802771.db2.gz DBYGYCGXJLQXOY-UHFFFAOYSA-N 1 0 333.357 4.080 20 30 EIEDRO CC(C)(C#N)CCC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000610447540 1030813486 /nfs/dbraw/zinc/81/34/86/1030813486.db2.gz LKQNSUSXUWECKP-GHMZBOCLSA-N 1 0 330.316 4.379 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527703477 1030819526 /nfs/dbraw/zinc/81/95/26/1030819526.db2.gz PFYCTCQWPNIZFL-UHFFFAOYSA-N 1 0 343.215 4.147 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1F ZINC000127605011 1030837345 /nfs/dbraw/zinc/83/73/45/1030837345.db2.gz WTKSXLRCSCJERV-RYUDHWBXSA-N 1 0 345.805 4.029 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)cc(OC)c1O ZINC000527772577 1030852653 /nfs/dbraw/zinc/85/26/53/1030852653.db2.gz NICHANTYYXFDHQ-HXUWFJFHSA-N 1 0 338.451 4.155 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3cccc4ccoc43)CCOCC2)cc1 ZINC000527807464 1030866394 /nfs/dbraw/zinc/86/63/94/1030866394.db2.gz CXNMUCPGNPISMZ-UHFFFAOYSA-N 1 0 332.403 4.100 20 30 EIEDRO N#Cc1ccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)cc1F ZINC000191353449 1030869821 /nfs/dbraw/zinc/86/98/21/1030869821.db2.gz JUEVBBOBTWOPKC-UHFFFAOYSA-N 1 0 345.421 4.337 20 30 EIEDRO N#Cc1csc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000531117827 1030896262 /nfs/dbraw/zinc/89/62/62/1030896262.db2.gz LWMVTZQHYUOMNH-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO N#C[C@H]1CCC[C@H]([NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)C1 ZINC000527939409 1030954640 /nfs/dbraw/zinc/95/46/40/1030954640.db2.gz NUTPODDLUQCBJF-WMZOPIPTSA-N 1 0 342.487 4.064 20 30 EIEDRO C[C@@H](Cc1ccc(Br)cc1F)[NH2+]Cc1cccc(C#N)c1 ZINC000237526819 1031020198 /nfs/dbraw/zinc/02/01/98/1031020198.db2.gz NRVMIVMUCHTXKU-LBPRGKRZSA-N 1 0 347.231 4.181 20 30 EIEDRO C[C@H]([NH2+]C1(CNCc2cc(C#N)cs2)CCCC1)c1ccccc1 ZINC000237526807 1031020597 /nfs/dbraw/zinc/02/05/97/1031020597.db2.gz MZBVCTCDBYCMCB-INIZCTEOSA-N 1 0 339.508 4.373 20 30 EIEDRO C=CCCC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452450771 1031033942 /nfs/dbraw/zinc/03/39/42/1031033942.db2.gz ISQWUGLRZVAUDL-OAQYLSRUSA-N 1 0 340.511 4.102 20 30 EIEDRO C[C@]1(C#N)CCC[N@H+](CC/C=C/c2ccc(Br)cc2)C1 ZINC000612163654 1031080276 /nfs/dbraw/zinc/08/02/76/1031080276.db2.gz VQZFJSXAQJXCCI-WAUBUAMCSA-N 1 0 333.273 4.478 20 30 EIEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000532549708 1031264678 /nfs/dbraw/zinc/26/46/78/1031264678.db2.gz OWYIQSAECSTSPA-TZMCWYRMSA-N 1 0 338.879 4.176 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000532549705 1031264699 /nfs/dbraw/zinc/26/46/99/1031264699.db2.gz OWYIQSAECSTSPA-GXTWGEPZSA-N 1 0 338.879 4.176 20 30 EIEDRO N#Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1C(F)(F)F ZINC000167238145 1031356229 /nfs/dbraw/zinc/35/62/29/1031356229.db2.gz ZNBWXYGZYAEAHX-ACJLOTCBSA-N 1 0 349.400 4.030 20 30 EIEDRO Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000136476821 1031390254 /nfs/dbraw/zinc/39/02/54/1031390254.db2.gz IOQFIFZLBNCDDB-UHFFFAOYSA-N 1 0 335.451 4.026 20 30 EIEDRO C[C@@H]1C[NH+](Cc2cccc(NC3CCC(C)(C#N)CC3)c2)C[C@@H](C)O1 ZINC000449056549 1031411117 /nfs/dbraw/zinc/41/11/17/1031411117.db2.gz QIFIXJVIEQQDNH-BFIFELMSSA-N 1 0 341.499 4.180 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531616783 1031432275 /nfs/dbraw/zinc/43/22/75/1031432275.db2.gz UKRRAXCOJSRMJQ-RDJZCZTQSA-N 1 0 328.456 4.063 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000449097755 1031440894 /nfs/dbraw/zinc/44/08/94/1031440894.db2.gz MZYYMZUEYKIDAD-QFBILLFUSA-N 1 0 330.472 4.029 20 30 EIEDRO COc1ccc(Br)c(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449103119 1031443788 /nfs/dbraw/zinc/44/37/88/1031443788.db2.gz OQOKGNRJZUZGKC-UHFFFAOYSA-N 1 0 337.261 4.020 20 30 EIEDRO C=CCCCC[C@@H](C)[NH2+]CC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000449120294 1031457907 /nfs/dbraw/zinc/45/79/07/1031457907.db2.gz CJOMZUUOLXZPFM-MRXNPFEDSA-N 1 0 333.520 4.228 20 30 EIEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Cc1cccs1 ZINC000375897569 1031462825 /nfs/dbraw/zinc/46/28/25/1031462825.db2.gz JHMFBLHQENOXPW-INIZCTEOSA-N 1 0 339.508 4.057 20 30 EIEDRO C=CCN(CCc1ccccc1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000065911914 1031491276 /nfs/dbraw/zinc/49/12/76/1031491276.db2.gz TYTKMNOASKWSHZ-UHFFFAOYSA-N 1 0 348.490 4.153 20 30 EIEDRO Cn1cc(C[NH2+][C@@H](c2cccs2)c2ccc3c(c2)CCC3)cc1C#N ZINC000365088272 1031497660 /nfs/dbraw/zinc/49/76/60/1031497660.db2.gz PMARMDKERVIZGX-OAQYLSRUSA-N 1 0 347.487 4.326 20 30 EIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000532637906 1031499574 /nfs/dbraw/zinc/49/95/74/1031499574.db2.gz QXEXGJDCWYNGEF-UHFFFAOYSA-N 1 0 342.483 4.128 20 30 EIEDRO N#Cc1cccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)c1 ZINC000053096455 1031514395 /nfs/dbraw/zinc/51/43/95/1031514395.db2.gz KUDFKQDWGFRXAZ-HXUWFJFHSA-N 1 0 339.870 4.138 20 30 EIEDRO C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CCN1Cc1ccccc1 ZINC000449179793 1031520375 /nfs/dbraw/zinc/52/03/75/1031520375.db2.gz XEUBRDNIDWPBBM-AFVILVPDSA-N 1 0 325.500 4.102 20 30 EIEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449306448 1031610164 /nfs/dbraw/zinc/61/01/64/1031610164.db2.gz LLIIDDGUDLTAED-FUHYEJFZSA-N 1 0 339.527 4.349 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)C2CCCCC2)ccc1OC ZINC000177332066 1031614528 /nfs/dbraw/zinc/61/45/28/1031614528.db2.gz SVYBKQMWCCVALN-CRAIPNDOSA-N 1 0 330.472 4.435 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]CC[C@@H]3CCc4ccccc43)CC2)cc1 ZINC000449376298 1031672327 /nfs/dbraw/zinc/67/23/27/1031672327.db2.gz LGPHXYSWCMFYSW-FQEVSTJZSA-N 1 0 345.490 4.237 20 30 EIEDRO CC(C)([NH2+]CCOc1cccc(C#N)c1)c1nc2ccccc2s1 ZINC000528614472 1031694091 /nfs/dbraw/zinc/69/40/91/1031694091.db2.gz XQZVDUAOMOVWQT-UHFFFAOYSA-N 1 0 337.448 4.072 20 30 EIEDRO C[N@H+](CC(C)(C)CCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000119076069 1031739688 /nfs/dbraw/zinc/73/96/88/1031739688.db2.gz BRMMMZCRZVFCNB-JKSUJKDBSA-N 1 0 341.282 4.213 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449447333 1031742309 /nfs/dbraw/zinc/74/23/09/1031742309.db2.gz YUGYZBBJICDHCJ-JSGCOSHPSA-N 1 0 344.256 4.169 20 30 EIEDRO CC(C)Oc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000449471077 1031766317 /nfs/dbraw/zinc/76/63/17/1031766317.db2.gz ZMFJDAKGEIRVIP-UHFFFAOYSA-N 1 0 349.478 4.422 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CCOC3(CCC3)C2)CC1 ZINC000449476513 1031774411 /nfs/dbraw/zinc/77/44/11/1031774411.db2.gz GOBLGWVCGAWFCL-PELRDEGISA-N 1 0 338.495 4.329 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453284690 1031805553 /nfs/dbraw/zinc/80/55/53/1031805553.db2.gz BLGCXKGUSLVDMY-OWQGQXMQSA-N 1 0 347.300 4.442 20 30 EIEDRO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC000129710806 1031810712 /nfs/dbraw/zinc/81/07/12/1031810712.db2.gz GXXFBBLWBKJZKH-AEAFLJPSSA-N 1 0 332.447 4.120 20 30 EIEDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000453313072 1031838262 /nfs/dbraw/zinc/83/82/62/1031838262.db2.gz DENOVFWLMACYEZ-KSSFIOAISA-N 1 0 328.843 4.292 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3cc(F)c(F)c(F)c31)CC2 ZINC000453334889 1031860832 /nfs/dbraw/zinc/86/08/32/1031860832.db2.gz IKYWKOSDDKJGNO-JKSUJKDBSA-N 1 0 328.337 4.240 20 30 EIEDRO C=CCC1(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)CCCC1 ZINC000453337748 1031862418 /nfs/dbraw/zinc/86/24/18/1031862418.db2.gz AYMQWZHHVBSQGO-AWEZNQCLSA-N 1 0 339.476 4.016 20 30 EIEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000453352033 1031880346 /nfs/dbraw/zinc/88/03/46/1031880346.db2.gz KOSIFZWTASFQCG-CJNGLKHVSA-N 1 0 346.471 4.243 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCO[C@H](c2cccs2)C1 ZINC000449619431 1031882749 /nfs/dbraw/zinc/88/27/49/1031882749.db2.gz CIWZEKPWXJFXGQ-WMZOPIPTSA-N 1 0 329.465 4.323 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCO[C@H](c2cccs2)C1 ZINC000449619428 1031882800 /nfs/dbraw/zinc/88/28/00/1031882800.db2.gz CIWZEKPWXJFXGQ-AEFFLSMTSA-N 1 0 329.465 4.323 20 30 EIEDRO C=CCC1(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CCCC1 ZINC000453386434 1031896334 /nfs/dbraw/zinc/89/63/34/1031896334.db2.gz VJOCSYDGKSZZJT-AZUAARDMSA-N 1 0 327.516 4.018 20 30 EIEDRO Cc1cc(C[NH2+][C@@](C)(CO)c2cc(Cl)cc(Cl)c2)ccc1C#N ZINC000449673370 1031920307 /nfs/dbraw/zinc/92/03/07/1031920307.db2.gz ZJWHGKWJEUZDNG-SFHVURJKSA-N 1 0 349.261 4.171 20 30 EIEDRO CC[N@H+](CCC1CCN(c2ccc(C#N)cc2F)CC1)CC1CC1 ZINC000536618960 1031927034 /nfs/dbraw/zinc/92/70/34/1031927034.db2.gz QDULPMIJXDYMJR-UHFFFAOYSA-N 1 0 329.463 4.036 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)cc1F ZINC000453378703 1031927630 /nfs/dbraw/zinc/92/76/30/1031927630.db2.gz JILZINSNUOWENS-INIZCTEOSA-N 1 0 349.331 4.278 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[NH2+][C@H](c2ccccc2)C2CCC2)c1 ZINC000532686246 1031967450 /nfs/dbraw/zinc/96/74/50/1031967450.db2.gz GRHRIVDLHRHMNM-OAQYLSRUSA-N 1 0 333.435 4.018 20 30 EIEDRO CC(C)c1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)cc1[N+](=O)[O-] ZINC000449736830 1031972718 /nfs/dbraw/zinc/97/27/18/1031972718.db2.gz WQBVBWJVJXZLIG-UHFFFAOYSA-N 1 0 327.359 4.019 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2cccs2)C(C)(C)CO)cc1 ZINC000453582807 1032028656 /nfs/dbraw/zinc/02/86/56/1032028656.db2.gz XIPHEWIITQOYQA-SFHVURJKSA-N 1 0 331.481 4.162 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000453611486 1032044451 /nfs/dbraw/zinc/04/44/51/1032044451.db2.gz ITNWFMDVLIHUQM-GOSISDBHSA-N 1 0 326.465 4.003 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)cc1 ZINC000512553181 1033333863 /nfs/dbraw/zinc/33/38/63/1033333863.db2.gz ZRPHIDFNXXALFH-UHFFFAOYSA-N 1 0 333.435 4.240 20 30 EIEDRO Cc1ccccc1OCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000573731910 1033441191 /nfs/dbraw/zinc/44/11/91/1033441191.db2.gz NRFZYJMGBSVKTG-UHFFFAOYSA-N 1 0 334.341 4.054 20 30 EIEDRO C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)COCc1ccccc1 ZINC000512610432 1033486212 /nfs/dbraw/zinc/48/62/12/1033486212.db2.gz BBTVWLXRYCJADM-HZPDHXFCSA-N 1 0 326.415 4.201 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000512611126 1033493786 /nfs/dbraw/zinc/49/37/86/1033493786.db2.gz HZPNTGKKPIJCDJ-LPHOPBHVSA-N 1 0 337.442 4.013 20 30 EIEDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000512612809 1033495663 /nfs/dbraw/zinc/49/56/63/1033495663.db2.gz PYUMPRCWXSRADF-KZULUSFZSA-N 1 0 332.806 4.389 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Br)cc1)c1ccc(C#N)cc1F ZINC000512614867 1033499098 /nfs/dbraw/zinc/49/90/98/1033499098.db2.gz XEXGQKSOIPBKJY-GFCCVEGCSA-N 1 0 347.231 4.353 20 30 EIEDRO CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)CCO2 ZINC000614160757 1033531613 /nfs/dbraw/zinc/53/16/13/1033531613.db2.gz CWVZIGWAIPTXNN-YJYMSZOUSA-N 1 0 340.398 4.270 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000614166077 1033540600 /nfs/dbraw/zinc/54/06/00/1033540600.db2.gz WAAOJTANUGBTNC-NRFANRHFSA-N 1 0 334.463 4.451 20 30 EIEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000614177663 1033589530 /nfs/dbraw/zinc/58/95/30/1033589530.db2.gz QSVRPONDHOXEER-HSZRJFAPSA-N 1 0 346.474 4.162 20 30 EIEDRO CN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000614176685 1033598878 /nfs/dbraw/zinc/59/88/78/1033598878.db2.gz ORLGYSSXZVMQNU-JOCHJYFZSA-N 1 0 347.506 4.194 20 30 EIEDRO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc(C#N)cc1F ZINC000512647169 1033599976 /nfs/dbraw/zinc/59/99/76/1033599976.db2.gz GSGDSYAHKNXYEF-LBPRGKRZSA-N 1 0 331.460 4.345 20 30 EIEDRO C[C@H]([NH2+]CCCCOCCc1ccccc1)c1ccc(C#N)cc1F ZINC000512649103 1033606778 /nfs/dbraw/zinc/60/67/78/1033606778.db2.gz QJCBRKSODUXUEV-KRWDZBQOSA-N 1 0 340.442 4.387 20 30 EIEDRO Cc1ccc(C)c(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433015168 1033654934 /nfs/dbraw/zinc/65/49/34/1033654934.db2.gz VYRXMDHYBDXAKF-IBGZPJMESA-N 1 0 335.451 4.267 20 30 EIEDRO Cc1ccc(C)c(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433015269 1033655339 /nfs/dbraw/zinc/65/53/39/1033655339.db2.gz VYRXMDHYBDXAKF-LJQANCHMSA-N 1 0 335.451 4.267 20 30 EIEDRO CCc1ccc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1 ZINC000433013565 1033655719 /nfs/dbraw/zinc/65/57/19/1033655719.db2.gz XYWYTESOWKDGMX-FQEVSTJZSA-N 1 0 335.451 4.212 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)c1ccc(C#N)cc1F ZINC000512666374 1033658568 /nfs/dbraw/zinc/65/85/68/1033658568.db2.gz KFCLFVRTQPUUEI-KSSFIOAISA-N 1 0 343.471 4.247 20 30 EIEDRO CC[NH+](CC)[C@H](CN[C@H](C)c1ccc(C#N)cc1F)c1ccccc1 ZINC000512669124 1033670993 /nfs/dbraw/zinc/67/09/93/1033670993.db2.gz YQELZHMIYIXYLJ-IIBYNOLFSA-N 1 0 339.458 4.431 20 30 EIEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000433012497 1033673880 /nfs/dbraw/zinc/67/38/80/1033673880.db2.gz KKELGQDRLPRLOH-SFHVURJKSA-N 1 0 341.842 4.303 20 30 EIEDRO COc1ccc(CC[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512672488 1033681529 /nfs/dbraw/zinc/68/15/29/1033681529.db2.gz KZJCKDHOVZQNPU-LSDHHAIUSA-N 1 0 326.415 4.378 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccsc1 ZINC000512672791 1033682762 /nfs/dbraw/zinc/68/27/62/1033682762.db2.gz MLSJGNIIHDBQFR-LIRRHRJNSA-N 1 0 345.487 4.493 20 30 EIEDRO CCN(C[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1)CC(F)(F)F ZINC000411306673 1033825805 /nfs/dbraw/zinc/82/58/05/1033825805.db2.gz LPXNINXYJFBJAY-MRXNPFEDSA-N 1 0 345.453 4.057 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614236022 1033870312 /nfs/dbraw/zinc/87/03/12/1033870312.db2.gz WKOMKQBFUTXQNU-PKOBYXMFSA-N 1 0 344.462 4.381 20 30 EIEDRO Cc1cc(OC(C)C)ccc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001211809963 1033981964 /nfs/dbraw/zinc/98/19/64/1033981964.db2.gz MZPNNNOSDDWTMC-UHFFFAOYSA-N 1 0 341.480 4.447 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)c1 ZINC000433190276 1034011677 /nfs/dbraw/zinc/01/16/77/1034011677.db2.gz UNWFRJYVWSDLEY-FQEVSTJZSA-N 1 0 336.479 4.258 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccccc3Cl)CC2)c(F)c1 ZINC000512824914 1034023745 /nfs/dbraw/zinc/02/37/45/1034023745.db2.gz ZAFCBJGHJDNSMS-UHFFFAOYSA-N 1 0 344.817 4.394 20 30 EIEDRO C[C@H]([NH2+]CCC1(C#N)CCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000411688746 1034036506 /nfs/dbraw/zinc/03/65/06/1034036506.db2.gz IPXUZYLNTIGBDD-HNNXBMFYSA-N 1 0 345.453 4.103 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2OC(F)F)C2CC2)cc1 ZINC000544183316 1034132215 /nfs/dbraw/zinc/13/22/15/1034132215.db2.gz HRKOFZSAESKZQH-UHFFFAOYSA-N 1 0 328.362 4.324 20 30 EIEDRO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419319700 1034250870 /nfs/dbraw/zinc/25/08/70/1034250870.db2.gz CYPRVXTWKBXKAB-IAGOWNOFSA-N 1 0 338.455 4.255 20 30 EIEDRO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)c1C ZINC000428744562 1034287115 /nfs/dbraw/zinc/28/71/15/1034287115.db2.gz MYXPCEUQMWSKCF-LJQANCHMSA-N 1 0 349.478 4.071 20 30 EIEDRO CC[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000573930897 1034305191 /nfs/dbraw/zinc/30/51/91/1034305191.db2.gz CJGZUZAAVZVOFI-OAQYLSRUSA-N 1 0 330.435 4.027 20 30 EIEDRO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419334066 1034324903 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CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000729316536 1034781974 /nfs/dbraw/zinc/78/19/74/1034781974.db2.gz LRCVRALZUSZZNE-SFTDATJTSA-N 1 0 347.462 4.155 20 30 EIEDRO C[N@H+](CCOCCC#N)[C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000549929502 1034783298 /nfs/dbraw/zinc/78/32/98/1034783298.db2.gz CYKPCBZUERPKDM-IAGOWNOFSA-N 1 0 340.389 4.204 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2F)c2ccccc2)nc1 ZINC000760013217 1034864595 /nfs/dbraw/zinc/86/45/95/1034864595.db2.gz WIKGQGGBKVDYCI-OAQYLSRUSA-N 1 0 331.394 4.166 20 30 EIEDRO COc1ccc(C#N)cc1NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000513352181 1034887976 /nfs/dbraw/zinc/88/79/76/1034887976.db2.gz ORVAHOOKFFQERI-CRAIPNDOSA-N 1 0 327.472 4.022 20 30 EIEDRO CC(C)(C)C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000513400434 1034917189 /nfs/dbraw/zinc/91/71/89/1034917189.db2.gz DBASLDDZWLASOJ-UHFFFAOYSA-N 1 0 332.451 4.254 20 30 EIEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279993183 1035123173 /nfs/dbraw/zinc/12/31/73/1035123173.db2.gz RNRHNMLGBQIZTJ-UHFFFAOYSA-N 1 0 335.451 4.110 20 30 EIEDRO N#CCC1(C[NH2+]Cc2ccc(-c3cccc(Br)c3)o2)CC1 ZINC000430037809 1035431901 /nfs/dbraw/zinc/43/19/01/1035431901.db2.gz IYPHAXBSHKMYSW-UHFFFAOYSA-N 1 0 345.240 4.493 20 30 EIEDRO C=CCN1CCC([NH2+]C/C(C)=C\c2ccccc2C(F)(F)F)CC1 ZINC000501422188 1035441997 /nfs/dbraw/zinc/44/19/97/1035441997.db2.gz KMTJICCXIAEVTO-SQFISAMPSA-N 1 0 338.417 4.349 20 30 EIEDRO C=CCN(Cc1ccccc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000501574405 1035471824 /nfs/dbraw/zinc/47/18/24/1035471824.db2.gz DSGPAEVNKYXUID-UHFFFAOYSA-N 1 0 343.515 4.039 20 30 EIEDRO C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(C#N)s1 ZINC000183301418 1035486466 /nfs/dbraw/zinc/48/64/66/1035486466.db2.gz NXDPJUXMWXLDBB-GFCCVEGCSA-N 1 0 341.411 4.307 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000237087794 1035499999 /nfs/dbraw/zinc/49/99/99/1035499999.db2.gz PIWBNSSCFUSUJQ-OAHLLOKOSA-N 1 0 326.465 4.148 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H]3c3ccccc3)CC2)cc1 ZINC000594994223 1035520317 /nfs/dbraw/zinc/52/03/17/1035520317.db2.gz IDQFDQIPPLUHPB-DHIUTWEWSA-N 1 0 345.490 4.058 20 30 EIEDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(C#N)cc2)ccc1OC(F)F ZINC000595056070 1035535936 /nfs/dbraw/zinc/53/59/36/1035535936.db2.gz QGIBWMLLKHBNAG-CYBMUJFWSA-N 1 0 346.377 4.062 20 30 EIEDRO COc1cc(CC#N)cc(-c2cccc(C[NH+](C)C)c2)c1OC(F)F ZINC000904758401 1035556786 /nfs/dbraw/zinc/55/67/86/1035556786.db2.gz MTBJKVUURVMJBV-UHFFFAOYSA-N 1 0 346.377 4.091 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000595048573 1035568534 /nfs/dbraw/zinc/56/85/34/1035568534.db2.gz WRGUZBGAHJSTRT-IRLDBZIGSA-N 1 0 337.511 4.247 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)CC2 ZINC000595074376 1035586803 /nfs/dbraw/zinc/58/68/03/1035586803.db2.gz RGJVOKRWFAYCOX-IRXDYDNUSA-N 1 0 338.373 4.025 20 30 EIEDRO Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000595101663 1035587955 /nfs/dbraw/zinc/58/79/55/1035587955.db2.gz YUYVWOUDYVJZCF-FQEVSTJZSA-N 1 0 334.467 4.117 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000595075616 1035589164 /nfs/dbraw/zinc/58/91/64/1035589164.db2.gz AOSIHHDEWVODER-WDBKCZKBSA-N 1 0 337.286 4.019 20 30 EIEDRO C[N@@H+](Cc1ccccc1)CC1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595307146 1035640381 /nfs/dbraw/zinc/64/03/81/1035640381.db2.gz SPDOLGDRYUYOLT-JOCHJYFZSA-N 1 0 333.479 4.095 20 30 EIEDRO C[C@H](N[C@@H](C#N)c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595430693 1035676338 /nfs/dbraw/zinc/67/63/38/1035676338.db2.gz KOHBAILXDNLRPW-QOKNQOGYSA-N 1 0 331.891 4.147 20 30 EIEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C#N)c3ccccc3)C2)s1 ZINC000595477701 1035684967 /nfs/dbraw/zinc/68/49/67/1035684967.db2.gz SWKZSTLBJUWHFH-PXNSSMCTSA-N 1 0 339.508 4.075 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc(C3(C#N)CC3)cc2)c1 ZINC000905078200 1035721805 /nfs/dbraw/zinc/72/18/05/1035721805.db2.gz NONSCKRUMZLYFR-FLIBITNWSA-N 1 0 330.431 4.199 20 30 EIEDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000595602880 1035746581 /nfs/dbraw/zinc/74/65/81/1035746581.db2.gz XMMNSDKBRABXNX-GJZGRUSLSA-N 1 0 333.501 4.140 20 30 EIEDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000595641222 1035753613 /nfs/dbraw/zinc/75/36/13/1035753613.db2.gz FTQHTOHZRCLXRK-HUUCEWRRSA-N 1 0 347.528 4.434 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000900130974 1035768927 /nfs/dbraw/zinc/76/89/27/1035768927.db2.gz XKGQSMHUZKURDU-LBPRGKRZSA-N 1 0 329.271 4.021 20 30 EIEDRO C=CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)C ZINC000595764785 1035776813 /nfs/dbraw/zinc/77/68/13/1035776813.db2.gz CTUSDJUUCVRWON-HNNXBMFYSA-N 1 0 345.512 4.306 20 30 EIEDRO CC1(C)CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC(C)(C)C1 ZINC000595747634 1035782097 /nfs/dbraw/zinc/78/20/97/1035782097.db2.gz AQHXVUNPZSRMMA-UHFFFAOYSA-N 1 0 338.455 4.256 20 30 EIEDRO CC(C)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCC1 ZINC000491093208 1035805569 /nfs/dbraw/zinc/80/55/69/1035805569.db2.gz UFWDSJCMUKZSKU-UHFFFAOYSA-N 1 0 336.483 4.359 20 30 EIEDRO Cn1cc(C[NH+]2CCC(C(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491105792 1035808936 /nfs/dbraw/zinc/80/89/36/1035808936.db2.gz BYIYKQUXNGOPRK-UHFFFAOYSA-N 1 0 336.483 4.217 20 30 EIEDRO Cc1sc(NC(=O)C[N@@H+](C(C)C)C2CCCCC2)c(C#N)c1C ZINC000491184661 1035822916 /nfs/dbraw/zinc/82/29/16/1035822916.db2.gz APELYJYKAKALBB-UHFFFAOYSA-N 1 0 333.501 4.218 20 30 EIEDRO C#Cc1cccc(NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000905559964 1035840772 /nfs/dbraw/zinc/84/07/72/1035840772.db2.gz DMIKKGCLOHCSMZ-UHFFFAOYSA-N 1 0 349.503 4.463 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000586779805 1035844457 /nfs/dbraw/zinc/84/44/57/1035844457.db2.gz FSNAXNOMHMNOBN-UHFFFAOYSA-N 1 0 338.451 4.151 20 30 EIEDRO Cc1c(Cl)cnc(N2CCC3(CCC([NH+](C)C)CC3)CC2)c1C#N ZINC000596255699 1035844781 /nfs/dbraw/zinc/84/47/81/1035844781.db2.gz QREUDJMETATLHZ-UHFFFAOYSA-N 1 0 346.906 4.006 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000586790605 1035848620 /nfs/dbraw/zinc/84/86/20/1035848620.db2.gz MKVPBPJPJBVLOQ-MSOLQXFVSA-N 1 0 333.479 4.309 20 30 EIEDRO Oc1ccc2ccccc2c1/C=N/C1CC[NH+](Cc2ccncc2)CC1 ZINC000054892375 1035865554 /nfs/dbraw/zinc/86/55/54/1035865554.db2.gz MJWPDNHGOATBQW-BUVRLJJBSA-N 1 0 345.446 4.024 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cc(Br)c(Cl)s2)cc1 ZINC000227808897 1035894031 /nfs/dbraw/zinc/89/40/31/1035894031.db2.gz UNDGEIMEEZTWSR-UHFFFAOYSA-N 1 0 341.661 4.325 20 30 EIEDRO C=CC1(CC(=O)NC2(C(F)(F)F)CC[NH+](CC)CC2)CCCCC1 ZINC000905824941 1035924552 /nfs/dbraw/zinc/92/45/52/1035924552.db2.gz LDSWQYDAXMKLPF-UHFFFAOYSA-N 1 0 346.437 4.046 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H](c3ccccc3)C3(CO)CCC3)cc2)CC1 ZINC000597136652 1036117108 /nfs/dbraw/zinc/11/71/08/1036117108.db2.gz ZRUQPGZATWVRFK-OAQYLSRUSA-N 1 0 346.474 4.235 20 30 EIEDRO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000183532174 1036121019 /nfs/dbraw/zinc/12/10/19/1036121019.db2.gz WGOWBYRIOAFCBX-GJZGRUSLSA-N 1 0 347.418 4.291 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CC1(C#N)CCCCC1 ZINC000597409506 1036228933 /nfs/dbraw/zinc/22/89/33/1036228933.db2.gz KHDHMXIXYDYYFQ-UHFFFAOYSA-N 1 0 339.483 4.394 20 30 EIEDRO C=CCN(Cc1ccccc1)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000502471289 1036230054 /nfs/dbraw/zinc/23/00/54/1036230054.db2.gz WAVXSMURRKRRIG-MRXNPFEDSA-N 1 0 342.870 4.033 20 30 EIEDRO C=C(C)[C@H]([NH2+]C[C@@H](O)c1cc(F)ccc1F)c1ccc(F)c(F)c1 ZINC000187787409 1036249736 /nfs/dbraw/zinc/24/97/36/1036249736.db2.gz XINIUDVYJPKYEZ-MSOLQXFVSA-N 1 0 339.332 4.183 20 30 EIEDRO C=CCC1([NH2+][C@@H](C)Cc2ccc(Br)cc2)CCOCC1 ZINC000668551682 1036281199 /nfs/dbraw/zinc/28/11/99/1036281199.db2.gz UKVZHPRJHHJTHD-AWEZNQCLSA-N 1 0 338.289 4.095 20 30 EIEDRO C=CCC1([NH2+][C@@H](C)CC(=O)Nc2ccc(C(C)C)cc2)CCOCC1 ZINC000668552702 1036282380 /nfs/dbraw/zinc/28/23/80/1036282380.db2.gz RQIOQCIVCUKQQE-KRWDZBQOSA-N 1 0 344.499 4.242 20 30 EIEDRO C=CCC1([NH2+][C@H](C)Cc2ccccc2C(F)(F)F)CCOCC1 ZINC000668551515 1036289165 /nfs/dbraw/zinc/28/91/65/1036289165.db2.gz PGROJZWSILXKSO-CQSZACIVSA-N 1 0 327.390 4.351 20 30 EIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1OCC ZINC000421346259 1036291658 /nfs/dbraw/zinc/29/16/58/1036291658.db2.gz CIYABSDBWPIOGE-UHFFFAOYSA-N 1 0 330.453 4.097 20 30 EIEDRO COC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC(c2ccccc2)CC1 ZINC000588231176 1036305927 /nfs/dbraw/zinc/30/59/27/1036305927.db2.gz HRGUDGKJQLHTHY-PPXMBRMGSA-N 1 0 326.484 4.401 20 30 EIEDRO N#CCCCCCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000588283769 1036338384 /nfs/dbraw/zinc/33/83/84/1036338384.db2.gz JLJLYUUNCOEQCJ-GOSISDBHSA-N 1 0 347.890 4.067 20 30 EIEDRO CCCN(C(=O)C1CC[NH+](C(C)C)CC1)c1cc(Cl)ccc1C#N ZINC000602258685 1036381048 /nfs/dbraw/zinc/38/10/48/1036381048.db2.gz TUTKLAUUAJVADA-UHFFFAOYSA-N 1 0 347.890 4.075 20 30 EIEDRO CCN(C(=O)CCCCCC#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000588648177 1036386860 /nfs/dbraw/zinc/38/68/60/1036386860.db2.gz CJQGHXHOCHDZNX-UYAOXDASSA-N 1 0 341.499 4.144 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3ccc4cnccc4c3)CC2)cc1 ZINC000618812415 1036420631 /nfs/dbraw/zinc/42/06/31/1036420631.db2.gz PKNJFKFXQCCDEL-UHFFFAOYSA-N 1 0 325.415 4.396 20 30 EIEDRO C[C@H](CCC#N)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000602456619 1036453269 /nfs/dbraw/zinc/45/32/69/1036453269.db2.gz AWSGLNYWYJMZJQ-QGZVFWFLSA-N 1 0 325.431 4.205 20 30 EIEDRO CC1CCN([C@H](C[NH2+]C2CCC(C#N)CC2)c2cccs2)CC1 ZINC000602498031 1036471415 /nfs/dbraw/zinc/47/14/15/1036471415.db2.gz GCZJJGXQUGKQKY-DAWZGUTISA-N 1 0 331.529 4.193 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000602515594 1036474269 /nfs/dbraw/zinc/47/42/69/1036474269.db2.gz QSKMOCHECSFJRP-LBPRGKRZSA-N 1 0 344.352 4.033 20 30 EIEDRO CCOc1ccc(O)c(/C=N/C[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000060804915 1036477011 /nfs/dbraw/zinc/47/70/11/1036477011.db2.gz XISICJOOJYSQMN-UOBPLZBXSA-N 1 0 344.480 4.108 20 30 EIEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000602510285 1036482710 /nfs/dbraw/zinc/48/27/10/1036482710.db2.gz LADQHSTZPTWDBJ-SFHVURJKSA-N 1 0 326.484 4.187 20 30 EIEDRO COc1ccc([C@H]([NH2+]C[C@H](C)CCC#N)c2ccc(F)cc2)cc1 ZINC000602536599 1036490312 /nfs/dbraw/zinc/49/03/12/1036490312.db2.gz UUISKWQRIQKPAQ-FOIQADDNSA-N 1 0 326.415 4.453 20 30 EIEDRO N#CC1CCC([NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)CC1 ZINC000602534988 1036496175 /nfs/dbraw/zinc/49/61/75/1036496175.db2.gz VVEBLLABISHRPV-UHFFFAOYSA-N 1 0 344.462 4.257 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000602568472 1036500133 /nfs/dbraw/zinc/50/01/33/1036500133.db2.gz NQUHUBBAEVUXQQ-HNNXBMFYSA-N 1 0 339.414 4.107 20 30 EIEDRO CC(C)c1cnc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)s1 ZINC000593515704 1036500892 /nfs/dbraw/zinc/50/08/92/1036500892.db2.gz RHOSOQOCRADVOR-UHFFFAOYSA-N 1 0 340.496 4.215 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000602581141 1036509248 /nfs/dbraw/zinc/50/92/48/1036509248.db2.gz PTOYCGYNNLXYQC-LLVKDONJSA-N 1 0 349.784 4.052 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(C(F)(F)F)cc1 ZINC000602580204 1036510310 /nfs/dbraw/zinc/51/03/10/1036510310.db2.gz FDAAVNFTUAZVCY-QGZVFWFLSA-N 1 0 333.357 4.459 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000602601326 1036511601 /nfs/dbraw/zinc/51/16/01/1036511601.db2.gz KLGRERDYIWSJRR-UZLBHIALSA-N 1 0 342.458 4.450 20 30 EIEDRO C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CCC(C#N)CC1 ZINC000602583796 1036512177 /nfs/dbraw/zinc/51/21/77/1036512177.db2.gz YLMITWQGSHASAT-BZUNDVKYSA-N 1 0 339.252 4.191 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000602648568 1036539758 /nfs/dbraw/zinc/53/97/58/1036539758.db2.gz BZYKKGUHJWULJM-GFCCVEGCSA-N 1 0 341.318 4.462 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000602632614 1036543900 /nfs/dbraw/zinc/54/39/00/1036543900.db2.gz CVKHVJUOQMXESC-RLLQIKCJSA-N 1 0 326.484 4.401 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000602671837 1036551242 /nfs/dbraw/zinc/55/12/42/1036551242.db2.gz KHGSLSBIQCLDQK-JKIFEVAISA-N 1 0 340.389 4.407 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000602653148 1036551919 /nfs/dbraw/zinc/55/19/19/1036551919.db2.gz BPTVOCHRVIFNRN-UHFFFAOYSA-N 1 0 348.244 4.010 20 30 EIEDRO CC(C)CCO[C@H]1CC[C@H]([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602722746 1036585027 /nfs/dbraw/zinc/58/50/27/1036585027.db2.gz GZKSRJWSUYYEPV-GUDVDZBRSA-N 1 0 336.520 4.049 20 30 EIEDRO N#Cc1cccc(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)n1 ZINC000602715930 1036592873 /nfs/dbraw/zinc/59/28/73/1036592873.db2.gz HXGNDLLJBJWMSF-UHFFFAOYSA-N 1 0 339.283 4.096 20 30 EIEDRO C[C@@]1(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)C[C@H]1c1ccccc1 ZINC000602723475 1036596355 /nfs/dbraw/zinc/59/63/55/1036596355.db2.gz BPPWWRAONOECEI-VXKWHMMOSA-N 1 0 346.474 4.347 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCc2ccc(Cl)cc21 ZINC000602728945 1036598572 /nfs/dbraw/zinc/59/85/72/1036598572.db2.gz FBXXJSMUEWSQIH-RDTXWAMCSA-N 1 0 332.875 4.406 20 30 EIEDRO C[C@@H](CC[NH+]1CCC(c2ccc(C#N)cn2)CC1)OCc1ccccc1 ZINC000602908824 1036660671 /nfs/dbraw/zinc/66/06/71/1036660671.db2.gz UMGSCEYIGCHQCW-SFHVURJKSA-N 1 0 349.478 4.128 20 30 EIEDRO CC(C)Oc1ccccc1C[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910473 1036662998 /nfs/dbraw/zinc/66/29/98/1036662998.db2.gz SHFGCGSUQAKXJV-UHFFFAOYSA-N 1 0 335.451 4.120 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602889957 1036663964 /nfs/dbraw/zinc/66/39/64/1036663964.db2.gz XNXZZIBVLNLHNY-KXBFYZLASA-N 1 0 328.419 4.052 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000589183633 1036702348 /nfs/dbraw/zinc/70/23/48/1036702348.db2.gz ATJQALQNFKRZAX-UHFFFAOYSA-N 1 0 340.370 4.193 20 30 EIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)cs1 ZINC000598603642 1036705872 /nfs/dbraw/zinc/70/58/72/1036705872.db2.gz XQPUASWPFWVBGO-GUYCJALGSA-N 1 0 343.496 4.070 20 30 EIEDRO Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(C)C ZINC000598603587 1036706419 /nfs/dbraw/zinc/70/64/19/1036706419.db2.gz WOLYPEKZKISQNV-QAPCUYQASA-N 1 0 328.456 4.329 20 30 EIEDRO CN1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)[C@@H]1c1ccccc1 ZINC000589267989 1036725162 /nfs/dbraw/zinc/72/51/62/1036725162.db2.gz VXKJZKHIGUIENH-SFTDATJTSA-N 1 0 333.479 4.023 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)CC2 ZINC000589337923 1036739033 /nfs/dbraw/zinc/73/90/33/1036739033.db2.gz IHDYRFHGFMIZMY-KRWDZBQOSA-N 1 0 345.215 4.237 20 30 EIEDRO C[C@H]([NH2+]C(C)(C)CN[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000589341698 1036739926 /nfs/dbraw/zinc/73/99/26/1036739926.db2.gz HMPWBZGYAJCWGA-HRAATJIYSA-N 1 0 333.479 4.265 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CCCCCC3)nc1)CC2 ZINC000589336408 1036740197 /nfs/dbraw/zinc/74/01/97/1036740197.db2.gz CPZMEJDQZLLLKQ-OAQYLSRUSA-N 1 0 346.478 4.111 20 30 EIEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccccc1OC(F)F ZINC000192946325 1036747984 /nfs/dbraw/zinc/74/79/84/1036747984.db2.gz SGTKDDWJRYPNGI-QGZVFWFLSA-N 1 0 346.377 4.431 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000598724093 1036759271 /nfs/dbraw/zinc/75/92/71/1036759271.db2.gz MDPSQRAZEHQPSL-FPOVZHCZSA-N 1 0 334.463 4.231 20 30 EIEDRO Cc1cc([NH+]2CCCCCC2)ccc1NC[C@@H](O)CC(C)(C)C#N ZINC000598729941 1036765925 /nfs/dbraw/zinc/76/59/25/1036765925.db2.gz OVSOJCMKYWWGLL-SFHVURJKSA-N 1 0 329.488 4.088 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@@H]2CCCO2)c2ccc(F)cc2)s1 ZINC000421874376 1036828658 /nfs/dbraw/zinc/82/86/58/1036828658.db2.gz IGONOSIKKORQOF-MAUKXSAKSA-N 1 0 330.428 4.159 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)c1ccc(C#N)cc1 ZINC000598955812 1036832184 /nfs/dbraw/zinc/83/21/84/1036832184.db2.gz LZRXPKQGKRRCSN-CYBMUJFWSA-N 1 0 342.464 4.426 20 30 EIEDRO COc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1OC1CC1 ZINC000598971505 1036835624 /nfs/dbraw/zinc/83/56/24/1036835624.db2.gz UZRLRRYGTPDUMA-LJQANCHMSA-N 1 0 336.435 4.371 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C23CC(c4ccccc4)(C2)C3)c1 ZINC000603430814 1036836778 /nfs/dbraw/zinc/83/67/78/1036836778.db2.gz VBLWQZZUPFYJKT-UHFFFAOYSA-N 1 0 332.447 4.333 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1OC1CC1 ZINC000598981685 1036839230 /nfs/dbraw/zinc/83/92/30/1036839230.db2.gz ATGSZNVWLQSSOC-HXUWFJFHSA-N 1 0 348.446 4.275 20 30 EIEDRO CN(C)c1c(F)c(F)ccc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000598981678 1036839328 /nfs/dbraw/zinc/83/93/28/1036839328.db2.gz AIVMIOJKYDHBQR-SFHVURJKSA-N 1 0 341.405 4.070 20 30 EIEDRO Cc1cc(Br)cc2c1[C@@H]([NH2+]Cc1ccc(C#N)s1)CC2 ZINC000421896042 1036845823 /nfs/dbraw/zinc/84/58/23/1036845823.db2.gz ZEHCOHFHTUDCLL-HNNXBMFYSA-N 1 0 347.281 4.468 20 30 EIEDRO Cc1cccc([C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C(C)C)c1 ZINC000599028612 1036849382 /nfs/dbraw/zinc/84/93/82/1036849382.db2.gz XVVQYADFNXFUPA-JOCHJYFZSA-N 1 0 348.494 4.217 20 30 EIEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCC23CC3)c(-c2ccccc2)n1 ZINC000599018403 1036852264 /nfs/dbraw/zinc/85/22/64/1036852264.db2.gz XEAXZJUOFXYMCY-IBGZPJMESA-N 1 0 334.467 4.134 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCOc2ccc(OC)cc2)cc1Cl ZINC000589638394 1036856384 /nfs/dbraw/zinc/85/63/84/1036856384.db2.gz YFNRRWHMXNQRKP-UHFFFAOYSA-N 1 0 347.842 4.082 20 30 EIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)cc1OC ZINC000486799197 1036858013 /nfs/dbraw/zinc/85/80/13/1036858013.db2.gz DXFWMBPOBSYZRH-LJQANCHMSA-N 1 0 336.435 4.221 20 30 EIEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000486808380 1036859233 /nfs/dbraw/zinc/85/92/33/1036859233.db2.gz BSJFJIWQEMDEOA-DYVFJYSZSA-N 1 0 333.863 4.051 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000486807873 1036864327 /nfs/dbraw/zinc/86/43/27/1036864327.db2.gz AKAHUDPAGSGMKO-NRFANRHFSA-N 1 0 348.490 4.321 20 30 EIEDRO CC1(C)CCC[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)C1 ZINC000593692374 1036892100 /nfs/dbraw/zinc/89/21/00/1036892100.db2.gz DVYHXBYIXQYOGR-FQEVSTJZSA-N 1 0 325.500 4.081 20 30 EIEDRO CCC[N@H+](Cc1cc(C#N)cs1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000503074658 1036893359 /nfs/dbraw/zinc/89/33/59/1036893359.db2.gz OUXQCQJFBMVSQK-OAHLLOKOSA-N 1 0 341.480 4.249 20 30 EIEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000589949281 1036898248 /nfs/dbraw/zinc/89/82/48/1036898248.db2.gz QUTIQCCNQKJKDY-WQGACYEGSA-N 1 0 333.273 4.354 20 30 EIEDRO C[C@H]1CCCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695081 1036899317 /nfs/dbraw/zinc/89/93/17/1036899317.db2.gz HNNZKMOUCHULKU-LAUBAEHRSA-N 1 0 325.500 4.081 20 30 EIEDRO C[C@H](CCC(C)(C)C)[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695634 1036899610 /nfs/dbraw/zinc/89/96/10/1036899610.db2.gz TUENZCRGFWFZLC-QGZVFWFLSA-N 1 0 327.516 4.327 20 30 EIEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593695446 1036901905 /nfs/dbraw/zinc/90/19/05/1036901905.db2.gz PNYQRFHPSXULJN-LEWJYISDSA-N 1 0 325.500 4.081 20 30 EIEDRO CC1(C)CCCC[C@@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593701572 1036906200 /nfs/dbraw/zinc/90/62/00/1036906200.db2.gz FZYMBVMLVUMRAQ-FQEVSTJZSA-N 1 0 325.500 4.081 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)c(F)c1 ZINC000589945439 1036914823 /nfs/dbraw/zinc/91/48/23/1036914823.db2.gz FHNJRPICEAMKIK-FOIQADDNSA-N 1 0 342.389 4.094 20 30 EIEDRO [NH2+]=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccccn1 ZINC000170905374 1036923653 /nfs/dbraw/zinc/92/36/53/1036923653.db2.gz MMVFKOMBICNIJT-UHFFFAOYSA-N 1 0 330.435 4.030 20 30 EIEDRO COc1cc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)ccc1SC ZINC000599276046 1036935301 /nfs/dbraw/zinc/93/53/01/1036935301.db2.gz ZISRNXWWSNZBJI-UHFFFAOYSA-N 1 0 326.465 4.229 20 30 EIEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](c2cccc(Cl)c2)C2CCCC2)CC1 ZINC000599353561 1036968338 /nfs/dbraw/zinc/96/83/38/1036968338.db2.gz ISOBXLRAELRUIQ-QZTJIDSGSA-N 1 0 332.875 4.216 20 30 EIEDRO N#CCCC[C@@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccccc1 ZINC000590068694 1036971580 /nfs/dbraw/zinc/97/15/80/1036971580.db2.gz QHNFTXIPTGPHKC-OAQYLSRUSA-N 1 0 347.462 4.104 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C1 ZINC000590190451 1037008939 /nfs/dbraw/zinc/00/89/39/1037008939.db2.gz DYUFKWKSNOYYTN-WMLDXEAASA-N 1 0 348.874 4.203 20 30 EIEDRO Cc1ccc(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)cc1C#N ZINC000599454303 1037015925 /nfs/dbraw/zinc/01/59/25/1037015925.db2.gz KLLFNUPNXLHHNC-UHFFFAOYSA-N 1 0 342.446 4.190 20 30 EIEDRO CCC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1F ZINC000271793682 1037018672 /nfs/dbraw/zinc/01/86/72/1037018672.db2.gz NRTLBTOMBPUGCX-LJQANCHMSA-N 1 0 330.378 4.498 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000590244691 1037020466 /nfs/dbraw/zinc/02/04/66/1037020466.db2.gz WNSBHHZVYMKDCT-TXPKVOOTSA-N 1 0 328.456 4.111 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(C(=O)OC)cc1 ZINC000590254361 1037022638 /nfs/dbraw/zinc/02/26/38/1037022638.db2.gz KZVANBXESWNAAP-VQTJNVASSA-N 1 0 334.419 4.073 20 30 EIEDRO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271912437 1037053036 /nfs/dbraw/zinc/05/30/36/1037053036.db2.gz YFGKWTYKHXHDFO-YWZLYKJASA-N 1 0 336.435 4.326 20 30 EIEDRO Cc1ccc2c(CC[NH2+][C@H](C)c3ccc(OCC#N)cc3)c[nH]c2c1 ZINC000271919211 1037056755 /nfs/dbraw/zinc/05/67/55/1037056755.db2.gz ZPHFLHSLPJVBLI-MRXNPFEDSA-N 1 0 333.435 4.272 20 30 EIEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1cc(F)c(Br)cc1F ZINC000599540888 1037067827 /nfs/dbraw/zinc/06/78/27/1037067827.db2.gz DBKJSWGJFHCNMY-SECBINFHSA-N 1 0 331.204 4.318 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000590762793 1037155822 /nfs/dbraw/zinc/15/58/22/1037155822.db2.gz KCIJKUJLWSGJHP-SFHVURJKSA-N 1 0 349.261 4.171 20 30 EIEDRO C=CCC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000487596137 1037165227 /nfs/dbraw/zinc/16/52/27/1037165227.db2.gz OAVAZVQGGQOOAN-NHCUHLMSSA-N 1 0 336.479 4.156 20 30 EIEDRO Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000590962113 1037213830 /nfs/dbraw/zinc/21/38/30/1037213830.db2.gz BTGBZTVZGFYJLA-QGZVFWFLSA-N 1 0 348.475 4.230 20 30 EIEDRO CCc1nc2cc(C[NH2+]C3CCC(C)(C#N)CC3)ccc2n1C1CC1 ZINC000573059074 1037248892 /nfs/dbraw/zinc/24/88/92/1037248892.db2.gz MRKXBHDLSDMZLL-UHFFFAOYSA-N 1 0 336.483 4.496 20 30 EIEDRO COc1ccc(C2([NH2+]CCC3(C#N)CCCCC3)CCOCC2)cc1 ZINC000591017710 1037261727 /nfs/dbraw/zinc/26/17/27/1037261727.db2.gz WLQSOWHAXFDMCL-UHFFFAOYSA-N 1 0 342.483 4.155 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000591051101 1037271260 /nfs/dbraw/zinc/27/12/60/1037271260.db2.gz CGJHPABPODCZCG-NRFANRHFSA-N 1 0 332.447 4.220 20 30 EIEDRO N#CC1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC000057824087 1037275748 /nfs/dbraw/zinc/27/57/48/1037275748.db2.gz MATHWPFOKLLWNH-UHFFFAOYSA-N 1 0 345.240 4.043 20 30 EIEDRO [NH2+]=C(N[C@H]1CCc2cc(F)ccc2C1)c1ccc(C(F)(F)F)cc1 ZINC001168400150 1037298415 /nfs/dbraw/zinc/29/84/15/1037298415.db2.gz IRMCRXCSUUJNID-INIZCTEOSA-N 1 0 336.332 4.107 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](O)COc1ccccc1C(C)C ZINC000057950500 1037322730 /nfs/dbraw/zinc/32/27/30/1037322730.db2.gz UAIPRVYZXSZISD-QGZVFWFLSA-N 1 0 345.508 4.299 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591348989 1037390906 /nfs/dbraw/zinc/39/09/06/1037390906.db2.gz ZLENTHVYLVVOQY-SZPZYZBQSA-N 1 0 327.431 4.475 20 30 EIEDRO Cc1cc(C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488294682 1037490878 /nfs/dbraw/zinc/49/08/78/1037490878.db2.gz HNIKBSLYKJBCLW-SFTDATJTSA-N 1 0 338.426 4.358 20 30 EIEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCCc3c(Cl)cccc32)cc1 ZINC000273529548 1037493717 /nfs/dbraw/zinc/49/37/17/1037493717.db2.gz VXCUXOIXZQIUEV-LJQANCHMSA-N 1 0 326.827 4.410 20 30 EIEDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2cc(N)ccc2O1 ZINC000591579375 1037505141 /nfs/dbraw/zinc/50/51/41/1037505141.db2.gz SWYVTUKQRQQEQI-WOJBJXKFSA-N 1 0 347.462 4.410 20 30 EIEDRO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CS1 ZINC000488429520 1037590050 /nfs/dbraw/zinc/59/00/50/1037590050.db2.gz ISKWFVVPPZNZCH-MKQGEQSTSA-N 1 0 344.524 4.368 20 30 EIEDRO C[C@@H](CCc1cccc(F)c1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573606824 1037598306 /nfs/dbraw/zinc/59/83/06/1037598306.db2.gz GCDXYZKPVUTGCJ-KRWDZBQOSA-N 1 0 340.442 4.167 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001269323389 1037638982 /nfs/dbraw/zinc/63/89/82/1037638982.db2.gz DRMODPNNRCCUDP-UHFFFAOYSA-N 1 0 349.478 4.198 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CSc3ccccc32)cc(OC)c1O ZINC000605165849 1037686668 /nfs/dbraw/zinc/68/66/68/1037686668.db2.gz AOKUNYORHHQLFW-INIZCTEOSA-N 1 0 327.449 4.066 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccncc1C#N)[C@H](C)c1ccccc1C(F)(F)F ZINC000592101190 1037731301 /nfs/dbraw/zinc/73/13/01/1037731301.db2.gz XDUIXORXFVBMDH-QWHCGFSZSA-N 1 0 333.357 4.254 20 30 EIEDRO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccncc1C#N ZINC000592111447 1037731541 /nfs/dbraw/zinc/73/15/41/1037731541.db2.gz JGBXFUPCXJFRIV-UHFFFAOYSA-N 1 0 333.357 4.083 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(cccc3Cl)s2)CC1 ZINC000592076531 1037732820 /nfs/dbraw/zinc/73/28/20/1037732820.db2.gz BTSGWFXJAYPYBF-UHFFFAOYSA-N 1 0 348.899 4.325 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)c2cccc(F)c2)cc1OC ZINC000605322872 1037744351 /nfs/dbraw/zinc/74/43/51/1037744351.db2.gz NRWILBRDTSLZRR-UHFFFAOYSA-N 1 0 343.442 4.467 20 30 EIEDRO Cc1ccccc1C1([NH2+]Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000592139839 1037745873 /nfs/dbraw/zinc/74/58/73/1037745873.db2.gz JZLKYXKHHVBOPI-UHFFFAOYSA-N 1 0 328.362 4.247 20 30 EIEDRO CC[C@H](c1ccccc1)[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000488760424 1037746940 /nfs/dbraw/zinc/74/69/40/1037746940.db2.gz GIQNLLPOKGCDBF-JOCHJYFZSA-N 1 0 333.479 4.217 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1 ZINC000592392602 1037782803 /nfs/dbraw/zinc/78/28/03/1037782803.db2.gz SXRSRGQDZWTBTI-VHDGCEQUSA-N 1 0 327.859 4.351 20 30 EIEDRO CC#CCCCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC ZINC000573989626 1037801936 /nfs/dbraw/zinc/80/19/36/1037801936.db2.gz XRUJNRHSHUFFBA-GOSISDBHSA-N 1 0 334.891 4.033 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)nc1 ZINC000783301599 1037808355 /nfs/dbraw/zinc/80/83/55/1037808355.db2.gz YZANTFFSQQZXBV-INIZCTEOSA-N 1 0 329.856 4.323 20 30 EIEDRO CC[C@@H]1C[C@@H](C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)CCO1 ZINC000503603453 1037834334 /nfs/dbraw/zinc/83/43/34/1037834334.db2.gz TYDATYRBZIUJNN-OXHPOLQJSA-N 1 0 342.483 4.043 20 30 EIEDRO C=CCCC[C@@H]([NH3+])C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000912082511 1037877491 /nfs/dbraw/zinc/87/74/91/1037877491.db2.gz HBMXPFJVUWYEGT-MRXNPFEDSA-N 1 0 334.510 4.022 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccccc2Cl)cc1OC ZINC000062424773 1037892353 /nfs/dbraw/zinc/89/23/53/1037892353.db2.gz ZQTGPYYTGWOMAC-UHFFFAOYSA-N 1 0 331.843 4.246 20 30 EIEDRO Cc1ccc([C@H](CNc2nc(C)cc(C)c2C#N)[NH+]2CCCC2)cc1 ZINC000489204023 1037893264 /nfs/dbraw/zinc/89/32/64/1037893264.db2.gz GWMSGKLGYHEKSB-FQEVSTJZSA-N 1 0 334.467 4.128 20 30 EIEDRO C[NH+](C)Cc1ccc(-c2ccc(C3(C#N)CCOCC3)cc2)cc1F ZINC000592986367 1037896787 /nfs/dbraw/zinc/89/67/87/1037896787.db2.gz GVQGUEUNOWDVPI-UHFFFAOYSA-N 1 0 338.426 4.126 20 30 EIEDRO COc1ccc(C2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)nc1 ZINC000593039676 1037904832 /nfs/dbraw/zinc/90/48/32/1037904832.db2.gz CGGHFUCSTFDHPV-UHFFFAOYSA-N 1 0 349.478 4.271 20 30 EIEDRO COc1ccc(Cl)c2c1CCC[C@H]2[N@H+](C)CCCSCC#N ZINC000593106104 1037965243 /nfs/dbraw/zinc/96/52/43/1037965243.db2.gz XKKLCQSRBMQFRU-OAHLLOKOSA-N 1 0 338.904 4.305 20 30 EIEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1COCc1ccccc1 ZINC000912401368 1037980147 /nfs/dbraw/zinc/98/01/47/1037980147.db2.gz MZAWAPFGTJNWOO-LJQANCHMSA-N 1 0 338.451 4.026 20 30 EIEDRO Cc1ccc(CNC(NCCc2cccs2)=[NH+]C(C)(C)C)s1 ZINC000912508273 1038030384 /nfs/dbraw/zinc/03/03/84/1038030384.db2.gz KQIISOVSNQYCQS-UHFFFAOYSA-N 1 0 335.542 4.194 20 30 EIEDRO CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000423235043 1038052432 /nfs/dbraw/zinc/05/24/32/1038052432.db2.gz GDYFYTSPIWKXGJ-JLTOFOAXSA-N 1 0 325.431 4.171 20 30 EIEDRO C=CCN1CCC([NH2+][C@H]2CCCOc3ccc(C(C)C)cc32)CC1 ZINC000489460931 1038073631 /nfs/dbraw/zinc/07/36/31/1038073631.db2.gz DLBGTGNCXRGBOO-FQEVSTJZSA-N 1 0 328.500 4.264 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@@H](C)c2ccc(C)cc2)cc(OC)c1O ZINC000606471405 1038091284 /nfs/dbraw/zinc/09/12/84/1038091284.db2.gz DQVKIZYYPZBMJU-MRXNPFEDSA-N 1 0 325.452 4.331 20 30 EIEDRO C=CC[N@@H+](CCCOc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297609 1038198795 /nfs/dbraw/zinc/19/87/95/1038198795.db2.gz BLCRLAATJLIADR-UHFFFAOYSA-N 1 0 326.396 4.052 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC1(c2cccs2)CCCCC1 ZINC000606911715 1038303086 /nfs/dbraw/zinc/30/30/86/1038303086.db2.gz KUTANUFKOHOKBH-QGZVFWFLSA-N 1 0 346.540 4.129 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000606918807 1038309378 /nfs/dbraw/zinc/30/93/78/1038309378.db2.gz QJLNGFWMDNWQAG-HXUWFJFHSA-N 1 0 343.515 4.211 20 30 EIEDRO COC[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C#N)cc1OC ZINC000490038640 1038311696 /nfs/dbraw/zinc/31/16/96/1038311696.db2.gz UJGZNHRSRHQZFB-GOSISDBHSA-N 1 0 344.842 4.040 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000574726697 1038321347 /nfs/dbraw/zinc/32/13/47/1038321347.db2.gz NYWXQKVKEJUUPF-FQEVSTJZSA-N 1 0 325.452 4.101 20 30 EIEDRO CCC[N@H+](Cc1ccc(CC#N)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490070827 1038330423 /nfs/dbraw/zinc/33/04/23/1038330423.db2.gz IRDCJTWQCKEBNZ-SFHVURJKSA-N 1 0 349.478 4.300 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(Sc2ccccc2)c1 ZINC000594434316 1038333100 /nfs/dbraw/zinc/33/31/00/1038333100.db2.gz NJCCUIZUGSLNRX-SFHVURJKSA-N 1 0 339.464 4.188 20 30 EIEDRO C[C@@H](c1ccc2ccccc2c1)N(C(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594431571 1038334665 /nfs/dbraw/zinc/33/46/65/1038334665.db2.gz NZJPVWKZDBOSRB-KKSFZXQISA-N 1 0 349.478 4.303 20 30 EIEDRO Cc1ccc(Oc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)cc1 ZINC000594425144 1038340676 /nfs/dbraw/zinc/34/06/76/1038340676.db2.gz GAUUGPWSNIEJEI-IBGZPJMESA-N 1 0 337.423 4.137 20 30 EIEDRO Cc1cccc(Oc2ccccc2NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594424963 1038340977 /nfs/dbraw/zinc/34/09/77/1038340977.db2.gz FHIDBGWKGBQDHQ-KRWDZBQOSA-N 1 0 337.423 4.137 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000594496800 1038345070 /nfs/dbraw/zinc/34/50/70/1038345070.db2.gz WBVBSPHRCKYEOA-RTWAWAEBSA-N 1 0 334.463 4.498 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594501200 1038348746 /nfs/dbraw/zinc/34/87/46/1038348746.db2.gz SSMQIEPEAXFEIL-QRWLVFNGSA-N 1 0 340.442 4.493 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000594502150 1038348837 /nfs/dbraw/zinc/34/88/37/1038348837.db2.gz XVWOFNMLKQQEID-LAUBAEHRSA-N 1 0 335.495 4.269 20 30 EIEDRO COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594499363 1038349815 /nfs/dbraw/zinc/34/98/15/1038349815.db2.gz CXBHANHKPLFVQZ-GOSISDBHSA-N 1 0 336.435 4.110 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000594506307 1038351554 /nfs/dbraw/zinc/35/15/54/1038351554.db2.gz PXLBMTMZKZDAOG-QGZVFWFLSA-N 1 0 342.870 4.007 20 30 EIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(F)cc1N(C)C ZINC000594514584 1038358420 /nfs/dbraw/zinc/35/84/20/1038358420.db2.gz IVVAIXDUPKHNCN-HNNXBMFYSA-N 1 0 337.442 4.493 20 30 EIEDRO CC(=O)Nc1ccc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1 ZINC000594520083 1038361490 /nfs/dbraw/zinc/36/14/90/1038361490.db2.gz YQUPEBGJUXLILY-HNNXBMFYSA-N 1 0 333.435 4.247 20 30 EIEDRO N#Cc1ccc(COc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000063457452 1038362233 /nfs/dbraw/zinc/36/22/33/1038362233.db2.gz AUKOTDRUOUPGSI-UHFFFAOYSA-N 1 0 336.435 4.002 20 30 EIEDRO COc1cc2c(c(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)c1)O[C@@H](C)C2 ZINC000594521378 1038363744 /nfs/dbraw/zinc/36/37/44/1038363744.db2.gz USOJQLYKVUSRKG-HNNXBMFYSA-N 1 0 348.446 4.059 20 30 EIEDRO C=CCn1c(-c2cccc(C)c2)nn(CN2CCC[C@@H]2C)c1=S ZINC000173529463 1038390783 /nfs/dbraw/zinc/39/07/83/1038390783.db2.gz GSIKEHYIGMXTTI-HNNXBMFYSA-N 1 0 328.485 4.017 20 30 EIEDRO C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000594709836 1038391656 /nfs/dbraw/zinc/39/16/56/1038391656.db2.gz FXCQZQZJCOLJDJ-LRDDRELGSA-N 1 0 326.362 4.099 20 30 EIEDRO COc1ccc(C([NH2+]CC2(CC#N)CC2)c2ccc(OC)cc2)cc1 ZINC000594701114 1038400864 /nfs/dbraw/zinc/40/08/64/1038400864.db2.gz KETIOCCFXSSZQV-UHFFFAOYSA-N 1 0 336.435 4.077 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]Cc3ccc(Br)cc3)cc2)CC1 ZINC000594919387 1038426882 /nfs/dbraw/zinc/42/68/82/1038426882.db2.gz ZEXGIGTXNRZWCF-UHFFFAOYSA-N 1 0 341.252 4.294 20 30 EIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C2CCCC2)cc1Cl ZINC000063551534 1038432505 /nfs/dbraw/zinc/43/25/05/1038432505.db2.gz YNWKBCUMWXJECG-SFHVURJKSA-N 1 0 345.874 4.195 20 30 EIEDRO CO[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cccc(Cl)c1 ZINC000594930657 1038435290 /nfs/dbraw/zinc/43/52/90/1038435290.db2.gz YOJKINBHUSPAHR-IBGZPJMESA-N 1 0 340.854 4.372 20 30 EIEDRO Cc1ccc(C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C(C)C)s1 ZINC000063565135 1038437504 /nfs/dbraw/zinc/43/75/04/1038437504.db2.gz QGRHGDHHPWTWPS-UHFFFAOYSA-N 1 0 341.480 4.167 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1-n1cccn1 ZINC000594932747 1038489455 /nfs/dbraw/zinc/48/94/55/1038489455.db2.gz STDVSPLEQVRHFA-QGZVFWFLSA-N 1 0 342.446 4.278 20 30 EIEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594943574 1038495299 /nfs/dbraw/zinc/49/52/99/1038495299.db2.gz DDPSRBGELLLLKH-RXVVDRJESA-N 1 0 332.447 4.144 20 30 EIEDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594947068 1038514074 /nfs/dbraw/zinc/51/40/74/1038514074.db2.gz RQFGVCZDTQBUJE-UHFFFAOYSA-N 1 0 344.462 4.153 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1OCCc2sccc21 ZINC000594945753 1038527284 /nfs/dbraw/zinc/52/72/84/1038527284.db2.gz WUCRANJESXXHPP-LIRRHRJNSA-N 1 0 338.476 4.095 20 30 EIEDRO C=CCCSCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594960073 1038531672 /nfs/dbraw/zinc/53/16/72/1038531672.db2.gz JEDWKBKIPGKEFP-UHFFFAOYSA-N 1 0 349.481 4.117 20 30 EIEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000424117676 1038603569 /nfs/dbraw/zinc/60/35/69/1038603569.db2.gz CWLCAYQYXXFDFI-GOSISDBHSA-N 1 0 345.512 4.212 20 30 EIEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000424116828 1038603677 /nfs/dbraw/zinc/60/36/77/1038603677.db2.gz APKILHICJRJLPD-QZTJIDSGSA-N 1 0 347.890 4.099 20 30 EIEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cc1C ZINC000063619631 1038661640 /nfs/dbraw/zinc/66/16/40/1038661640.db2.gz WGORZMWOPVVVEI-NRFANRHFSA-N 1 0 347.462 4.341 20 30 EIEDRO Cc1ccc(-n2cc(C[NH2+][C@@H]3CC[C@H](C#N)C3)c(C(C)(C)C)n2)cc1 ZINC000424199900 1038736255 /nfs/dbraw/zinc/73/62/55/1038736255.db2.gz QNUBMTLZNGDHOR-FUHWJXTLSA-N 1 0 336.483 4.260 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000424290887 1038768099 /nfs/dbraw/zinc/76/80/99/1038768099.db2.gz CJRZBQYPHWCSGQ-KMFMINBZSA-N 1 0 327.390 4.207 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000424300170 1038773278 /nfs/dbraw/zinc/77/32/78/1038773278.db2.gz WZUHLNQSTORMIM-DZFGPLHGSA-N 1 0 341.426 4.104 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000424298854 1038773382 /nfs/dbraw/zinc/77/33/82/1038773382.db2.gz UDALRORMOZQZCX-JDFRZJQESA-N 1 0 346.471 4.499 20 30 EIEDRO CSc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)ccn1 ZINC000539037915 1038788805 /nfs/dbraw/zinc/78/88/05/1038788805.db2.gz OHDQHIAVLQLPNW-UHFFFAOYSA-N 1 0 337.492 4.297 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)C1 ZINC000424325515 1038806177 /nfs/dbraw/zinc/80/61/77/1038806177.db2.gz LGFMYKPHJZHHAU-KYNGSXCRSA-N 1 0 325.843 4.301 20 30 EIEDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000554971955 1038810610 /nfs/dbraw/zinc/81/06/10/1038810610.db2.gz FHHTWUZMLLZBFZ-HOTGVXAUSA-N 1 0 340.389 4.260 20 30 EIEDRO COc1ccc([C@@H](C)[NH2+]CCSCc2ccccc2C#N)cc1F ZINC000539073349 1038822482 /nfs/dbraw/zinc/82/24/82/1038822482.db2.gz KBOHEUXZMWCVNV-CQSZACIVSA-N 1 0 344.455 4.290 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2ccncc2CC)ccc1OC ZINC000539104488 1038842198 /nfs/dbraw/zinc/84/21/98/1038842198.db2.gz GQUCYUAKTLOAOD-MRXNPFEDSA-N 1 0 340.467 4.458 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1c(F)cccc1F ZINC000552033537 1038870454 /nfs/dbraw/zinc/87/04/54/1038870454.db2.gz HKBBHSLBFGAIDX-AWEZNQCLSA-N 1 0 341.405 4.156 20 30 EIEDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)o1 ZINC000537614864 1038890910 /nfs/dbraw/zinc/89/09/10/1038890910.db2.gz FNLBCXCDAAWBBY-IBGZPJMESA-N 1 0 348.450 4.479 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000505022207 1038892217 /nfs/dbraw/zinc/89/22/17/1038892217.db2.gz BJHQHVMUMSMGTB-UHFFFAOYSA-N 1 0 329.488 4.236 20 30 EIEDRO CCCOc1ccc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)cc1OC ZINC000539251974 1038895391 /nfs/dbraw/zinc/89/53/91/1038895391.db2.gz HACCYJGBHVWNPK-MRXNPFEDSA-N 1 0 341.426 4.325 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000505030060 1038903236 /nfs/dbraw/zinc/90/32/36/1038903236.db2.gz RZMKFCZKJGHGDT-LJQANCHMSA-N 1 0 341.499 4.191 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000505035348 1038910454 /nfs/dbraw/zinc/91/04/54/1038910454.db2.gz LNBKBKMJJJITKQ-QGZVFWFLSA-N 1 0 329.488 4.049 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539305760 1038972254 /nfs/dbraw/zinc/97/22/54/1038972254.db2.gz OMTMVJVPBOYTCW-OXQOHEQNSA-N 1 0 343.442 4.382 20 30 EIEDRO C[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)Sc1ccccc1 ZINC000174607887 1039009939 /nfs/dbraw/zinc/00/99/39/1039009939.db2.gz YZZYBCNOMCTKQQ-KRWDZBQOSA-N 1 0 339.508 4.307 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000539389178 1039045932 /nfs/dbraw/zinc/04/59/32/1039045932.db2.gz XYUUFBGWDPNHDE-SFHVURJKSA-N 1 0 335.536 4.029 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000539388613 1039046133 /nfs/dbraw/zinc/04/61/33/1039046133.db2.gz PRQPQDRDAWPLPJ-MRXNPFEDSA-N 1 0 349.544 4.004 20 30 EIEDRO C=CCCC[C@@H](C)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000539389802 1039046195 /nfs/dbraw/zinc/04/61/95/1039046195.db2.gz CJHHEWOFNFEAKH-MOPGFXCFSA-N 1 0 343.515 4.037 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000552048590 1039068874 /nfs/dbraw/zinc/06/88/74/1039068874.db2.gz XNSKFFHUNSXCJP-IAGOWNOFSA-N 1 0 334.410 4.458 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@H](Cc3ccccc3)C3CC3)CC2)cc1 ZINC000552062078 1039084377 /nfs/dbraw/zinc/08/43/77/1039084377.db2.gz LHWBEJFLSZYMQA-HSZRJFAPSA-N 1 0 345.490 4.138 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccncc2)c1)C1CC1 ZINC000120382005 1039090807 /nfs/dbraw/zinc/09/08/07/1039090807.db2.gz IAEFDANSFKYEMG-HXUWFJFHSA-N 1 0 335.451 4.168 20 30 EIEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc(C#N)ccc3Cl)ccc21 ZINC000456297521 1039242053 /nfs/dbraw/zinc/24/20/53/1039242053.db2.gz DEBRZHAVKOECQT-GOSISDBHSA-N 1 0 339.826 4.013 20 30 EIEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)C[C@@H](CC#N)c3ccccc3)ccc21 ZINC000456320976 1039274670 /nfs/dbraw/zinc/27/46/70/1039274670.db2.gz OIQQIRWTWCQYTI-UTKZUKDTSA-N 1 0 347.462 4.262 20 30 EIEDRO Cn1nc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c2ccccc21 ZINC000612829280 1039295924 /nfs/dbraw/zinc/29/59/24/1039295924.db2.gz NGVSWYZPPNTRLJ-UHFFFAOYSA-N 1 0 344.462 4.067 20 30 EIEDRO COc1cc(C[N@H+](C)CC(C)(C)CCC#N)ccc1OC(F)F ZINC000534330857 1039326057 /nfs/dbraw/zinc/32/60/57/1039326057.db2.gz ZUAZQHDLIDLVQD-UHFFFAOYSA-N 1 0 326.387 4.058 20 30 EIEDRO C=CCC[C@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1)C1CC1 ZINC000121283074 1039346504 /nfs/dbraw/zinc/34/65/04/1039346504.db2.gz DEKWFRQSWUKSPN-RXVVDRJESA-N 1 0 342.527 4.221 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)cc1 ZINC000552323577 1039379220 /nfs/dbraw/zinc/37/92/20/1039379220.db2.gz LYNSOAXIKWAQSF-MRXNPFEDSA-N 1 0 341.451 4.428 20 30 EIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cc(F)ccc1C#N ZINC000481394938 1039380268 /nfs/dbraw/zinc/38/02/68/1039380268.db2.gz YEONQBHFJIYARK-KZULUSFZSA-N 1 0 332.806 4.217 20 30 EIEDRO N#Cc1c(Cl)cccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000552423131 1039519847 /nfs/dbraw/zinc/51/98/47/1039519847.db2.gz SEDCXIWRNQWOSM-LJQANCHMSA-N 1 0 325.843 4.461 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000481517877 1039531957 /nfs/dbraw/zinc/53/19/57/1039531957.db2.gz PYINDPCSLRQCDU-SGTLLEGYSA-N 1 0 332.806 4.217 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2cccc(CC#N)c2)cc1)C(C)C ZINC000456720984 1039562083 /nfs/dbraw/zinc/56/20/83/1039562083.db2.gz BJMKHLLDVHJCOW-UHFFFAOYSA-N 1 0 335.451 4.235 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)C(C)(C)c1ccccc1 ZINC000237501169 1039568584 /nfs/dbraw/zinc/56/85/84/1039568584.db2.gz MZKKYPCLFBDVBH-GOSISDBHSA-N 1 0 335.495 4.492 20 30 EIEDRO C=C(C)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000481593042 1039607330 /nfs/dbraw/zinc/60/73/30/1039607330.db2.gz PFYZQDGDLFJIGS-SFHVURJKSA-N 1 0 348.349 4.159 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000093667806 1039730910 /nfs/dbraw/zinc/73/09/10/1039730910.db2.gz QKCRALXISYWRLE-YLJYHZDGSA-N 1 0 348.446 4.215 20 30 EIEDRO C=C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21)c1ccccc1 ZINC000534736085 1039758889 /nfs/dbraw/zinc/75/88/89/1039758889.db2.gz UYLRCJRNQJXHFI-WIYYLYMNSA-N 1 0 346.474 4.358 20 30 EIEDRO C=C(C)CN(CC)Cc1ncc(Br)cc1Br ZINC000481702326 1039765908 /nfs/dbraw/zinc/76/59/08/1039765908.db2.gz GXBFOEDYXQYNAD-UHFFFAOYSA-N 1 0 348.082 4.005 20 30 EIEDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(Br)cc1C#N ZINC000130422835 1039775947 /nfs/dbraw/zinc/77/59/47/1039775947.db2.gz FMDQHHLCGWARKG-ZDUSSCGKSA-N 1 0 338.293 4.243 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000442675457 1039845291 /nfs/dbraw/zinc/84/52/91/1039845291.db2.gz YTHRIRBWEMXNIW-GCJKJVERSA-N 1 0 334.463 4.343 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000600615577 1039863471 /nfs/dbraw/zinc/86/34/71/1039863471.db2.gz WMUDDOPEXDYPHX-SJKOYZFVSA-N 1 0 326.831 4.232 20 30 EIEDRO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1CCCCC(C)(C)C#N ZINC000434795701 1039872289 /nfs/dbraw/zinc/87/22/89/1039872289.db2.gz OAAWDCCRJRJCNZ-ROUUACIJSA-N 1 0 328.456 4.085 20 30 EIEDRO Cc1ccc(C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C(C)C)s1 ZINC000434825277 1039877452 /nfs/dbraw/zinc/87/74/52/1039877452.db2.gz BDAKDPDUKGELIN-UHFFFAOYSA-N 1 0 341.480 4.167 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000442689438 1039878575 /nfs/dbraw/zinc/87/85/75/1039878575.db2.gz OSLOAZINJFWYKB-BEFAXECRSA-N 1 0 336.410 4.353 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000442691372 1039880314 /nfs/dbraw/zinc/88/03/14/1039880314.db2.gz LTJPSOJVSZORMW-YOEHRIQHSA-N 1 0 326.827 4.426 20 30 EIEDRO C=C(CC)C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000552978043 1039893560 /nfs/dbraw/zinc/89/35/60/1039893560.db2.gz DTBVNKWZDXYJFK-FQEVSTJZSA-N 1 0 343.492 4.044 20 30 EIEDRO C=CCC[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000434986164 1039978104 /nfs/dbraw/zinc/97/81/04/1039978104.db2.gz NAOXSMFKXYTDME-SFHVURJKSA-N 1 0 343.515 4.302 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000514589028 1040037973 /nfs/dbraw/zinc/03/79/73/1040037973.db2.gz DLIRUMQQDPIMAW-KZNAEPCWSA-N 1 0 341.499 4.048 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000476986032 1040098010 /nfs/dbraw/zinc/09/80/10/1040098010.db2.gz QJNXHVUDRBRMIZ-KRWDZBQOSA-N 1 0 343.490 4.174 20 30 EIEDRO N#CC1(CN(Cc2csc(Br)c2)C2CC2)CCC1 ZINC000450613059 1040196455 /nfs/dbraw/zinc/19/64/55/1040196455.db2.gz SKHOMDYNPQIZMH-UHFFFAOYSA-N 1 0 325.275 4.169 20 30 EIEDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000435269952 1040236356 /nfs/dbraw/zinc/23/63/56/1040236356.db2.gz JOJOQJACOFKBGS-FQEVSTJZSA-N 1 0 336.414 4.174 20 30 EIEDRO CC[C@@H](C)[NH2+][C@H](CNc1ncc(Cl)c(C)c1C#N)c1ccco1 ZINC000553603359 1040354366 /nfs/dbraw/zinc/35/43/66/1040354366.db2.gz BEXNOAMPCPZURX-IAQYHMDHSA-N 1 0 332.835 4.049 20 30 EIEDRO C[NH2+][C@H](c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1)C(C)(C)C ZINC001204895055 1040362779 /nfs/dbraw/zinc/36/27/79/1040362779.db2.gz FJRTVRXNVWMHQO-GFCCVEGCSA-N 1 0 339.226 4.222 20 30 EIEDRO CCC[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)Cc1ccccc1O ZINC000160161710 1040383286 /nfs/dbraw/zinc/38/32/86/1040383286.db2.gz VUEWZRMMUIQMPX-UHFFFAOYSA-N 1 0 347.418 4.331 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](CCC(C)C)c2ccc(OC)cc2)CC1 ZINC000482629753 1040396042 /nfs/dbraw/zinc/39/60/42/1040396042.db2.gz OSJJENCHFMUQQR-OAQYLSRUSA-N 1 0 330.516 4.413 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccc(OCCCC)c(OC)c2)CC1 ZINC000482633367 1040400798 /nfs/dbraw/zinc/40/07/98/1040400798.db2.gz QKZAQIPFWXFRSA-KRWDZBQOSA-N 1 0 346.515 4.175 20 30 EIEDRO C=CCCCC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000479541195 1040446163 /nfs/dbraw/zinc/44/61/63/1040446163.db2.gz MCMKOAPYCJIWOW-INIZCTEOSA-N 1 0 338.854 4.089 20 30 EIEDRO CC(C)CCN(CCC#N)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455897047 1040449608 /nfs/dbraw/zinc/44/96/08/1040449608.db2.gz DNPIBWDUOYOWAR-LJQANCHMSA-N 1 0 342.487 4.029 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc(C#N)cc1 ZINC000539495074 1040470611 /nfs/dbraw/zinc/47/06/11/1040470611.db2.gz CQQIAZPYMVVXLK-KUHUBIRLSA-N 1 0 327.859 4.165 20 30 EIEDRO C[C@H]1CCCC[C@H]1CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539494937 1040471919 /nfs/dbraw/zinc/47/19/19/1040471919.db2.gz VYINLTGFGPZGDD-RXVVDRJESA-N 1 0 339.527 4.329 20 30 EIEDRO COCCSc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000539494584 1040471969 /nfs/dbraw/zinc/47/19/69/1040471969.db2.gz KZYRAWWYNVAJKO-CYBMUJFWSA-N 1 0 332.494 4.209 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000435665012 1040518123 /nfs/dbraw/zinc/51/81/23/1040518123.db2.gz OMTLANAPSVUBGA-OIISXLGYSA-N 1 0 338.289 4.471 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000435665013 1040518714 /nfs/dbraw/zinc/51/87/14/1040518714.db2.gz OMTLANAPSVUBGA-PVAVHDDUSA-N 1 0 338.289 4.471 20 30 EIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@@H]12 ZINC000539569783 1040565219 /nfs/dbraw/zinc/56/52/19/1040565219.db2.gz KGDPAEQDRCVIIM-FKSLSLAPSA-N 1 0 347.547 4.110 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000435750916 1040583393 /nfs/dbraw/zinc/58/33/93/1040583393.db2.gz OTIBSVNJSGKTLT-ZBEGNZNMSA-N 1 0 330.255 4.073 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000435742385 1040596927 /nfs/dbraw/zinc/59/69/27/1040596927.db2.gz UOSHLNZHBDNOML-SWLSCSKDSA-N 1 0 344.680 4.173 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000435735431 1040589544 /nfs/dbraw/zinc/58/95/44/1040589544.db2.gz MUFDULDASHKJGH-WFASDCNBSA-N 1 0 331.790 4.012 20 30 EIEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000539589283 1040594397 /nfs/dbraw/zinc/59/43/97/1040594397.db2.gz WKWVKIDKDOGIHG-CYBMUJFWSA-N 1 0 327.255 4.386 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000435746034 1040598155 /nfs/dbraw/zinc/59/81/55/1040598155.db2.gz SPNUWHKJUZKLFJ-WMLDXEAASA-N 1 0 332.444 4.020 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000435746188 1040598529 /nfs/dbraw/zinc/59/85/29/1040598529.db2.gz UOKJXELPXQDCRH-NQIIRXRSSA-N 1 0 338.451 4.253 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCOCc2ccc(Cl)cc2Cl)s1 ZINC000539602332 1040599254 /nfs/dbraw/zinc/59/92/54/1040599254.db2.gz FMASJQZGJGMTGR-UHFFFAOYSA-N 1 0 341.263 4.233 20 30 EIEDRO COc1ccc(C[C@@H](C)C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000539606436 1040602010 /nfs/dbraw/zinc/60/20/10/1040602010.db2.gz GUSVLMQSLLWXQE-HUUCEWRRSA-N 1 0 326.415 4.235 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(C#N)c(F)c1 ZINC000539608412 1040604344 /nfs/dbraw/zinc/60/43/44/1040604344.db2.gz KFUHYGFEMKFJBC-AWEZNQCLSA-N 1 0 348.425 4.162 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000539609455 1040606930 /nfs/dbraw/zinc/60/69/30/1040606930.db2.gz HKHKKPXNGGWWBL-JMERFSKESA-N 1 0 330.378 4.263 20 30 EIEDRO COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000539609325 1040607924 /nfs/dbraw/zinc/60/79/24/1040607924.db2.gz FANKAEISGZNCBV-HUUCEWRRSA-N 1 0 342.414 4.072 20 30 EIEDRO FC[C@]1(C(F)(F)F)CCN(Cc2csc(C(F)(F)F)c2)C1 ZINC001233174279 1040634229 /nfs/dbraw/zinc/63/42/29/1040634229.db2.gz HFMAQGASVAKHGY-SNVBAGLBSA-N 1 0 335.288 4.491 20 30 EIEDRO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428792511 1040655379 /nfs/dbraw/zinc/65/53/79/1040655379.db2.gz HHSSMMLZKXMDNG-HRAATJIYSA-N 1 0 343.430 4.321 20 30 EIEDRO COc1ccccc1/C=C\C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000553999113 1040690436 /nfs/dbraw/zinc/69/04/36/1040690436.db2.gz CJQJNDXENAHUNC-YVMONPNESA-N 1 0 345.364 4.369 20 30 EIEDRO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)CCc1cccc(F)c1 ZINC000515409618 1040734177 /nfs/dbraw/zinc/73/41/77/1040734177.db2.gz DPYPWBXYEBEMLC-INIZCTEOSA-N 1 0 331.431 4.310 20 30 EIEDRO Cc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] ZINC000537720601 1040784087 /nfs/dbraw/zinc/78/40/87/1040784087.db2.gz QNDKZDNHVGWQCD-UHFFFAOYSA-N 1 0 333.391 4.064 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000483291733 1040808801 /nfs/dbraw/zinc/80/88/01/1040808801.db2.gz RMAYHVUVVPGXTJ-ACJLOTCBSA-N 1 0 347.384 4.499 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1Cl ZINC000539819069 1040814565 /nfs/dbraw/zinc/81/45/65/1040814565.db2.gz KEVQREGJYMCIRN-IBGZPJMESA-N 1 0 335.875 4.297 20 30 EIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000539882878 1040864718 /nfs/dbraw/zinc/86/47/18/1040864718.db2.gz FNTJRHWNJJLLGU-SFHVURJKSA-N 1 0 347.821 4.083 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)Oc2cccc(C)c2)cc1OC ZINC000462733884 1040876037 /nfs/dbraw/zinc/87/60/37/1040876037.db2.gz GXFKNSHDSRSGLF-QGZVFWFLSA-N 1 0 341.451 4.126 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1OC ZINC000160987447 1040893789 /nfs/dbraw/zinc/89/37/89/1040893789.db2.gz IBKGQUGIIMKBNK-INIZCTEOSA-N 1 0 329.465 4.489 20 30 EIEDRO N#Cc1ccc(C[N@@H+](CCOC2CCC2)Cc2cccc(F)c2)cc1 ZINC000554241726 1040910082 /nfs/dbraw/zinc/91/00/82/1040910082.db2.gz SCNKNXMBVQYMPH-UHFFFAOYSA-N 1 0 338.426 4.269 20 30 EIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000537946405 1040941557 /nfs/dbraw/zinc/94/15/57/1040941557.db2.gz DDZQMZAFDCOMDR-HNAYVOBHSA-N 1 0 333.435 4.267 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000898515835 1040970146 /nfs/dbraw/zinc/97/01/46/1040970146.db2.gz GLXMCQYUJIOWPC-PMACEKPBSA-N 1 0 342.483 4.008 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)ccc1OC ZINC000480123522 1040976898 /nfs/dbraw/zinc/97/68/98/1040976898.db2.gz KVSLJZKWIBTMBE-PXNSSMCTSA-N 1 0 347.499 4.333 20 30 EIEDRO CCN(Cc1ccc(F)cc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000505782179 1041018137 /nfs/dbraw/zinc/01/81/37/1041018137.db2.gz IEPMMDAYFWQRCP-CQSZACIVSA-N 1 0 340.398 4.067 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000436283211 1041028337 /nfs/dbraw/zinc/02/83/37/1041028337.db2.gz LDOQJVZKBBYMFQ-KYJSFNMBSA-N 1 0 339.426 4.180 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000436291308 1041057432 /nfs/dbraw/zinc/05/74/32/1041057432.db2.gz LMFZVOVCSYORKO-KFNAQCHYSA-N 1 0 342.252 4.220 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000483880010 1041058257 /nfs/dbraw/zinc/05/82/57/1041058257.db2.gz AHTFDTJCQVULDW-LJQANCHMSA-N 1 0 349.563 4.276 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000436293872 1041060791 /nfs/dbraw/zinc/06/07/91/1041060791.db2.gz NIAAMVGOVDZMJX-NRSPTQNISA-N 1 0 340.442 4.189 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000436300189 1041068428 /nfs/dbraw/zinc/06/84/28/1041068428.db2.gz UIZWTXOVCNUPJD-NNWRFLSQSA-N 1 0 337.463 4.355 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000436306158 1041073902 /nfs/dbraw/zinc/07/39/02/1041073902.db2.gz JOJDNQXECJNLFI-DOXZYTNZSA-N 1 0 329.440 4.382 20 30 EIEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000483987443 1041075830 /nfs/dbraw/zinc/07/58/30/1041075830.db2.gz YMSQTNHMLORLMZ-CQSZACIVSA-N 1 0 344.252 4.160 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000436312722 1041076672 /nfs/dbraw/zinc/07/66/72/1041076672.db2.gz VNEUBXINRVCQEP-PVUWLOKVSA-N 1 0 340.389 4.049 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000436312720 1041078434 /nfs/dbraw/zinc/07/84/34/1041078434.db2.gz VNEUBXINRVCQEP-MJEQTWJJSA-N 1 0 340.389 4.049 20 30 EIEDRO CC(C)(C)C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccccc1 ZINC000538153394 1041094206 /nfs/dbraw/zinc/09/42/06/1041094206.db2.gz STHWMQHLFVUAOM-SFHVURJKSA-N 1 0 341.499 4.096 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c2ccccc21 ZINC000436310436 1041097651 /nfs/dbraw/zinc/09/76/51/1041097651.db2.gz UTHDRAZXVWCEEV-QYWGDWMGSA-N 1 0 325.452 4.480 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000484164208 1041153206 /nfs/dbraw/zinc/15/32/06/1041153206.db2.gz QXHKKPNWKJXQRI-ZWKOTPCHSA-N 1 0 348.494 4.197 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1C#N ZINC000480273136 1041154178 /nfs/dbraw/zinc/15/41/78/1041154178.db2.gz GHTQEZKHWRCUJM-QZTJIDSGSA-N 1 0 347.384 4.341 20 30 EIEDRO CCc1ccc([C@H](CO)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000540139449 1041182022 /nfs/dbraw/zinc/18/20/22/1041182022.db2.gz UQUOQLSLCFGZDL-KOENEWCDSA-N 1 0 348.490 4.276 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1cccc(F)c1 ZINC000538223832 1041183074 /nfs/dbraw/zinc/18/30/74/1041183074.db2.gz CUPUURAXLNRHOV-IBGZPJMESA-N 1 0 339.414 4.013 20 30 EIEDRO Cc1c(F)cccc1NC(=O)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425529391 1041185803 /nfs/dbraw/zinc/18/58/03/1041185803.db2.gz BODOBCYLSVJRAU-OAHLLOKOSA-N 1 0 339.414 4.027 20 30 EIEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000538261546 1041209077 /nfs/dbraw/zinc/20/90/77/1041209077.db2.gz UMMFNORNPDSPTL-LPHOPBHVSA-N 1 0 325.452 4.340 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCC[C@H]2CCCC[C@H]2O)CC1 ZINC000540163619 1041226120 /nfs/dbraw/zinc/22/61/20/1041226120.db2.gz OJFDCVOMQHSOJD-NTYOPAKOSA-N 1 0 340.511 4.311 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000540193061 1041240094 /nfs/dbraw/zinc/24/00/94/1041240094.db2.gz UYCDELQLIRMJAW-UHFFFAOYSA-N 1 0 335.407 4.089 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000538398214 1041315015 /nfs/dbraw/zinc/31/50/15/1041315015.db2.gz LXOCTVOCQSAGHG-KRWDZBQOSA-N 1 0 333.479 4.046 20 30 EIEDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000463091188 1041328281 /nfs/dbraw/zinc/32/82/81/1041328281.db2.gz ZMIBDXGAVPBKLB-MRXNPFEDSA-N 1 0 342.874 4.070 20 30 EIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC#Cc2ccccc2Cl)c1 ZINC000540330662 1041388548 /nfs/dbraw/zinc/38/85/48/1041388548.db2.gz WSTVADDILLDPFE-CQSZACIVSA-N 1 0 326.827 4.001 20 30 EIEDRO C[C@H]([NH2+]CCc1csc(C(C)(C)C)n1)c1ccc(C#N)c(F)c1 ZINC000538507864 1041396161 /nfs/dbraw/zinc/39/61/61/1041396161.db2.gz IKQCXLDOSHJTGO-LBPRGKRZSA-N 1 0 331.460 4.345 20 30 EIEDRO CCCCCn1cc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c(C)n1 ZINC000538510857 1041397745 /nfs/dbraw/zinc/39/77/45/1041397745.db2.gz ORFLBJWLHLAIGP-AWEZNQCLSA-N 1 0 328.435 4.243 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)ccc1OC ZINC000538530701 1041406870 /nfs/dbraw/zinc/40/68/70/1041406870.db2.gz DDYFGTXOXZPKBB-RBUKOAKNSA-N 1 0 347.499 4.333 20 30 EIEDRO CC(C)[NH+]1CCN(c2cccc(N[C@H](C)c3cccc(C#N)c3)c2)CC1 ZINC000538548853 1041415694 /nfs/dbraw/zinc/41/56/94/1041415694.db2.gz SXONKUKTSBGCHL-GOSISDBHSA-N 1 0 348.494 4.262 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000540393130 1041425576 /nfs/dbraw/zinc/42/55/76/1041425576.db2.gz FAHKXWQVMQLEID-ZIAGYGMSSA-N 1 0 335.394 4.276 20 30 EIEDRO C=C(C)CN(CC)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000516156004 1041433595 /nfs/dbraw/zinc/43/35/95/1041433595.db2.gz XYBXCDXSOKOKTA-HXUWFJFHSA-N 1 0 343.515 4.067 20 30 EIEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000540396603 1041439994 /nfs/dbraw/zinc/43/99/94/1041439994.db2.gz QDAFITCKKGMEIO-MJGOQNOKSA-N 1 0 325.452 4.101 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000540397566 1041441816 /nfs/dbraw/zinc/44/18/16/1041441816.db2.gz NVVJNBHEOVLEGV-PKOBYXMFSA-N 1 0 325.452 4.101 20 30 EIEDRO C[C@@H]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1C ZINC000463237232 1041444770 /nfs/dbraw/zinc/44/47/70/1041444770.db2.gz LIRXBWNZEKSVBC-LVCYWYKZSA-N 1 0 339.527 4.185 20 30 EIEDRO C=C[C@H]1CCCCN1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000436739894 1041448000 /nfs/dbraw/zinc/44/80/00/1041448000.db2.gz QUZBYWZWZYLNHW-HNNXBMFYSA-N 1 0 330.453 4.065 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N[C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000540457688 1041479325 /nfs/dbraw/zinc/47/93/25/1041479325.db2.gz HNSVGNWRRXEHHD-OXQOHEQNSA-N 1 0 340.442 4.300 20 30 EIEDRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000463294188 1041480627 /nfs/dbraw/zinc/48/06/27/1041480627.db2.gz CBDLKLIKZMYWMO-RDBSUJKOSA-N 1 0 326.362 4.145 20 30 EIEDRO CC[NH+](CC)[C@@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000425636335 1041503233 /nfs/dbraw/zinc/50/32/33/1041503233.db2.gz JPQUOSPIRBYPAO-DYESRHJHSA-N 1 0 349.478 4.161 20 30 EIEDRO C=CCc1cc(C[N@@H+](C)[C@H]2CC[C@@H](SCC)C2)cc(OC)c1O ZINC000538725318 1041516923 /nfs/dbraw/zinc/51/69/23/1041516923.db2.gz NVIBRWDHHFVALT-DLBZAZTESA-N 1 0 335.513 4.235 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000463412656 1041552327 /nfs/dbraw/zinc/55/23/27/1041552327.db2.gz AXVJIDKEAHZJEA-UHFFFAOYSA-N 1 0 332.447 4.241 20 30 EIEDRO C[N@H+](CCCOc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463440665 1041557993 /nfs/dbraw/zinc/55/79/93/1041557993.db2.gz GJQNBXMJJSFSHY-SJORKVTESA-N 1 0 340.389 4.380 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+][C@@H]3CCC[C@H](C4CC4)C3)CC2)nc1 ZINC000540628623 1041571220 /nfs/dbraw/zinc/57/12/20/1041571220.db2.gz VUSCMCPNDAAQDW-LHQJTOJGSA-N 1 0 339.483 4.202 20 30 EIEDRO Cc1nc(N[C@H](C[NH+]2CCCC2)c2ccccc2)c(Cl)cc1C#N ZINC000461722000 1041572104 /nfs/dbraw/zinc/57/21/04/1041572104.db2.gz WUHUMAOZTUCZIS-GOSISDBHSA-N 1 0 340.858 4.164 20 30 EIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000463448022 1041572729 /nfs/dbraw/zinc/57/27/29/1041572729.db2.gz CJEWVCDSJATDIX-QGZVFWFLSA-N 1 0 345.874 4.243 20 30 EIEDRO C=CCc1cc(C[N@H+](C)C2CCC(F)(F)CC2)cc(OC)c1O ZINC000516514366 1041613195 /nfs/dbraw/zinc/61/31/95/1041613195.db2.gz RGLSUIWDCXAKEF-UHFFFAOYSA-N 1 0 325.399 4.139 20 30 EIEDRO C[C@@H](CC1CCCC1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437095327 1041640580 /nfs/dbraw/zinc/64/05/80/1041640580.db2.gz JVMAJNCYKWOWTH-MNNVXMFVSA-N 1 0 327.472 4.202 20 30 EIEDRO C[C@@H]1CC([NH2+]C2CCC(Oc3ncccc3C#N)CC2)C[C@@H](C)C1 ZINC000437097185 1041642262 /nfs/dbraw/zinc/64/22/62/1041642262.db2.gz NOQMSQPYEUCMOW-KRIWPVKQSA-N 1 0 327.472 4.058 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(Br)o1 ZINC000437085900 1041647520 /nfs/dbraw/zinc/64/75/20/1041647520.db2.gz COZSDQAMJGUWIU-OAHLLOKOSA-N 1 0 331.213 4.081 20 30 EIEDRO CC(C)N(C)c1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000437087201 1041647968 /nfs/dbraw/zinc/64/79/68/1041647968.db2.gz NACKTOCFJINIPO-HNNXBMFYSA-N 1 0 325.431 4.393 20 30 EIEDRO CN(c1ccccc1)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000437145731 1041673111 /nfs/dbraw/zinc/67/31/11/1041673111.db2.gz MYKIHYMIBSNICC-UHFFFAOYSA-N 1 0 342.446 4.353 20 30 EIEDRO CC1(C#N)CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000506018328 1041735791 /nfs/dbraw/zinc/73/57/91/1041735791.db2.gz STISLXXAWXGQAZ-MRXNPFEDSA-N 1 0 333.273 4.452 20 30 EIEDRO CC(C)[C@H]1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000540983099 1041766296 /nfs/dbraw/zinc/76/62/96/1041766296.db2.gz SYHFTYVLAQAXEI-UNMCSNQZSA-N 1 0 339.527 4.327 20 30 EIEDRO CCCC[C@H](CC)CN1CCO[C@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001280183640 1041769662 /nfs/dbraw/zinc/76/96/62/1041769662.db2.gz ADTBZSDUBKGULW-SFTDATJTSA-N 1 0 349.563 4.063 20 30 EIEDRO N#CCC1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000541019745 1041783634 /nfs/dbraw/zinc/78/36/34/1041783634.db2.gz JVLFGTHRZJHABY-KRWDZBQOSA-N 1 0 333.273 4.452 20 30 EIEDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541091145 1041807549 /nfs/dbraw/zinc/80/75/49/1041807549.db2.gz YMYDRYNJHXTMKZ-MRXNPFEDSA-N 1 0 330.435 4.292 20 30 EIEDRO CC[N@H+](CCCCOc1cccc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000506055145 1041814273 /nfs/dbraw/zinc/81/42/73/1041814273.db2.gz AWQLAWRNYXMKTM-CQSZACIVSA-N 1 0 328.378 4.346 20 30 EIEDRO C[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]2CCCC[C@@H]12 ZINC000541112094 1041819243 /nfs/dbraw/zinc/81/92/43/1041819243.db2.gz LMYCDFXGHKSGBB-UWVAXJGDSA-N 1 0 349.478 4.248 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(-c2ccncc2)cc1 ZINC000090106804 1041834096 /nfs/dbraw/zinc/83/40/96/1041834096.db2.gz PCZWKLAFHMXUFP-QGZVFWFLSA-N 1 0 343.430 4.350 20 30 EIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(CC#N)cc1 ZINC000541283102 1041882775 /nfs/dbraw/zinc/88/27/75/1041882775.db2.gz SZUDYQYJMBDEAL-LJQANCHMSA-N 1 0 343.858 4.138 20 30 EIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000541314683 1041889283 /nfs/dbraw/zinc/88/92/83/1041889283.db2.gz JIIOOCXXAWGNCQ-MGPUTAFESA-N 1 0 336.435 4.159 20 30 EIEDRO C[N@H+](Cc1ccco1)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000506116346 1041890811 /nfs/dbraw/zinc/89/08/11/1041890811.db2.gz VUDUSNBEODHPBD-UHFFFAOYSA-N 1 0 332.403 4.362 20 30 EIEDRO N#CCc1ccc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000541351268 1041899314 /nfs/dbraw/zinc/89/93/14/1041899314.db2.gz WTUOPKSJKDBNRP-UHFFFAOYSA-N 1 0 334.463 4.181 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549996667 1041972242 /nfs/dbraw/zinc/97/22/42/1041972242.db2.gz IFUDRGZLVKUIAU-MDUILUSMSA-N 1 0 349.881 4.285 20 30 EIEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000541661462 1042060642 /nfs/dbraw/zinc/06/06/42/1042060642.db2.gz ZISKBOZYVQTEQB-WMLDXEAASA-N 1 0 330.497 4.405 20 30 EIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCCSC2)c1 ZINC000517603306 1042098246 /nfs/dbraw/zinc/09/82/46/1042098246.db2.gz ADFWSNGVTCBZMF-LJQANCHMSA-N 1 0 338.476 4.122 20 30 EIEDRO C=CCc1cc(C[N@@H+](C)Cc2ccccc2OCC)cc(OC)c1O ZINC000506194371 1042102754 /nfs/dbraw/zinc/10/27/54/1042102754.db2.gz RNDOTKJJRCQAQJ-UHFFFAOYSA-N 1 0 341.451 4.160 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000464655558 1042108222 /nfs/dbraw/zinc/10/82/22/1042108222.db2.gz IEGHABYLKGLDBC-NSHGMRRFSA-N 1 0 328.500 4.273 20 30 EIEDRO N#Cc1cccc(OCC[N@@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000464761086 1042152384 /nfs/dbraw/zinc/15/23/84/1042152384.db2.gz LIWLMWGKTRSSNJ-SFHVURJKSA-N 1 0 338.476 4.051 20 30 EIEDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000464767035 1042154467 /nfs/dbraw/zinc/15/44/67/1042154467.db2.gz BUAIVAHEKCWREE-OAQYLSRUSA-N 1 0 333.479 4.141 20 30 EIEDRO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438478158 1042200661 /nfs/dbraw/zinc/20/06/61/1042200661.db2.gz VNKNLDTVXCMGLH-SVUBNXHSSA-N 1 0 327.472 4.059 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000464860514 1042205070 /nfs/dbraw/zinc/20/50/70/1042205070.db2.gz RMHRBODBPASWRS-RBBKRZOGSA-N 1 0 332.447 4.226 20 30 EIEDRO C=C(C)COCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000426033504 1042212364 /nfs/dbraw/zinc/21/23/64/1042212364.db2.gz CHZAWYGHLLYBGW-IBGZPJMESA-N 1 0 330.859 4.201 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443656035 1042231443 /nfs/dbraw/zinc/23/14/43/1042231443.db2.gz QRQSTBMXBUYMSU-YOEHRIQHSA-N 1 0 326.827 4.426 20 30 EIEDRO C=CCc1cc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)cc(OC)c1O ZINC000506326761 1042310398 /nfs/dbraw/zinc/31/03/98/1042310398.db2.gz MWYUBUWLQSAHRU-OAHLLOKOSA-N 1 0 341.451 4.331 20 30 EIEDRO Cc1cc2oc(=O)cc(C[NH2+]C3(c4cccc(C#N)c4)CC3)c2cc1C ZINC000271755574 1042313115 /nfs/dbraw/zinc/31/31/15/1042313115.db2.gz GVQOXYMRMADOSU-UHFFFAOYSA-N 1 0 344.414 4.060 20 30 EIEDRO C=CC[N@@H+](CCc1ccccc1)Cc1cncc(Br)c1 ZINC000542203009 1042332798 /nfs/dbraw/zinc/33/27/98/1042332798.db2.gz KBJHOAVGAWQGAT-UHFFFAOYSA-N 1 0 331.257 4.075 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426156867 1042349083 /nfs/dbraw/zinc/34/90/83/1042349083.db2.gz NIYLFABQMIBUBC-INIZCTEOSA-N 1 0 341.451 4.077 20 30 EIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)cc1Cl ZINC000518208025 1042411400 /nfs/dbraw/zinc/41/14/00/1042411400.db2.gz NMIZZWBHIRQZAR-LJQANCHMSA-N 1 0 337.891 4.135 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000303478197 1042443953 /nfs/dbraw/zinc/44/39/53/1042443953.db2.gz SJWUUOHEZZMUEJ-KRWDZBQOSA-N 1 0 349.544 4.129 20 30 EIEDRO C=CCN(CC1CCCCC1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000303478999 1042444173 /nfs/dbraw/zinc/44/41/73/1042444173.db2.gz SNCFMZIHTUDXTI-HXUWFJFHSA-N 1 0 343.515 4.067 20 30 EIEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000303487650 1042447296 /nfs/dbraw/zinc/44/72/96/1042447296.db2.gz KFGALNJYERMLFR-QFIPXVFZSA-N 1 0 349.478 4.262 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)C1CC1 ZINC000438987529 1042452436 /nfs/dbraw/zinc/45/24/36/1042452436.db2.gz UONUXFXBNOEATH-HXUWFJFHSA-N 1 0 335.451 4.168 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCCCC(F)(F)C3)CC2)cc1 ZINC000491550649 1042469834 /nfs/dbraw/zinc/46/98/34/1042469834.db2.gz YKNFXSCRTIIINF-KRWDZBQOSA-N 1 0 347.453 4.332 20 30 EIEDRO C=CCC[C@@H]([NH2+]C[C@H](O)COc1cccc(Cl)c1Cl)C1CC1 ZINC000439075435 1042485755 /nfs/dbraw/zinc/48/57/55/1042485755.db2.gz CSLWBQVXYDYIEV-DZGCQCFKSA-N 1 0 344.282 4.068 20 30 EIEDRO [NH2+]=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000261978589 1042540697 /nfs/dbraw/zinc/54/06/97/1042540697.db2.gz HAVTWWVUIKATOE-FPOVZHCZSA-N 1 0 349.478 4.070 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1OCCc2sccc21)c1ccc(C#N)cc1F ZINC000426313625 1042550123 /nfs/dbraw/zinc/55/01/23/1042550123.db2.gz NJMYIJDFNHWHOO-PZROIBLQSA-N 1 0 330.428 4.112 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccccc3Br)CC2)s1 ZINC000492257050 1042590660 /nfs/dbraw/zinc/59/06/60/1042590660.db2.gz JBRBULFKNKIRPP-UHFFFAOYSA-N 1 0 347.281 4.247 20 30 EIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271967855 1042592020 /nfs/dbraw/zinc/59/20/20/1042592020.db2.gz VYTGKGLCDKCITM-QWHCGFSZSA-N 1 0 325.387 4.068 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1 ZINC000492262116 1042592163 /nfs/dbraw/zinc/59/21/63/1042592163.db2.gz WTOKRUNCRVWLPL-AUUYWEPGSA-N 1 0 329.465 4.105 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CCOCC2)c(F)c1 ZINC000426378809 1042618383 /nfs/dbraw/zinc/61/83/83/1042618383.db2.gz NBSJIGOWCWHRQZ-UHFFFAOYSA-N 1 0 342.389 4.018 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c(Cl)c1 ZINC000439444003 1042628099 /nfs/dbraw/zinc/62/80/99/1042628099.db2.gz OCWRLBNVMBRGGJ-OXQOHEQNSA-N 1 0 340.854 4.469 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1-n1cccn1 ZINC000439448604 1042632562 /nfs/dbraw/zinc/63/25/62/1042632562.db2.gz HEOXMGGUXGBDNM-AWEZNQCLSA-N 1 0 336.826 4.248 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(OCc3ccccn3)cc2)ccc1C#N ZINC000443981673 1042716671 /nfs/dbraw/zinc/71/66/71/1042716671.db2.gz FSKKJJGQIAIEPQ-UHFFFAOYSA-N 1 0 343.430 4.131 20 30 EIEDRO Cc1cc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)ccc1C#N ZINC000443992892 1042733992 /nfs/dbraw/zinc/73/39/92/1042733992.db2.gz HUGSPQDLUCFTTE-UYAOXDASSA-N 1 0 339.508 4.101 20 30 EIEDRO Cc1cc(CNc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C#N ZINC000443995724 1042736087 /nfs/dbraw/zinc/73/60/87/1042736087.db2.gz HUAHZDLJGNPKTC-ROUUACIJSA-N 1 0 349.478 4.088 20 30 EIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1C#N ZINC000439694820 1042736966 /nfs/dbraw/zinc/73/69/66/1042736966.db2.gz XAJIYGDEXVULGD-GOSISDBHSA-N 1 0 337.442 4.046 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000444002743 1042742422 /nfs/dbraw/zinc/74/24/22/1042742422.db2.gz PZRKRFXCJMPHKQ-GCJKJVERSA-N 1 0 333.479 4.009 20 30 EIEDRO CCN(C[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1)CC(F)(F)F ZINC000929783548 1042750088 /nfs/dbraw/zinc/75/00/88/1042750088.db2.gz ZZBVLWXJCDCHMW-INIZCTEOSA-N 1 0 345.453 4.057 20 30 EIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000152463115 1042829756 /nfs/dbraw/zinc/82/97/56/1042829756.db2.gz OBRFLDHORXUZRY-SFHVURJKSA-N 1 0 349.478 4.494 20 30 EIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000536425115 1042851992 /nfs/dbraw/zinc/85/19/92/1042851992.db2.gz AFNDMDOKRHFNTI-OAHLLOKOSA-N 1 0 326.415 4.017 20 30 EIEDRO C=CCN1CCC([NH2+][C@H](C)c2ccc(SCC(F)F)cc2)CC1 ZINC000177905086 1042853740 /nfs/dbraw/zinc/85/37/40/1042853740.db2.gz WNHDAUYWNKRHSV-CQSZACIVSA-N 1 0 340.483 4.345 20 30 EIEDRO C[C@@H]1CC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C[C@@H](C)C1 ZINC000507767550 1042854343 /nfs/dbraw/zinc/85/43/43/1042854343.db2.gz CUDMQYNBTHDQKZ-KRIWPVKQSA-N 1 0 327.472 4.058 20 30 EIEDRO Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000152523567 1042891560 /nfs/dbraw/zinc/89/15/60/1042891560.db2.gz YDMMTWWECDSXRG-AWEZNQCLSA-N 1 0 346.377 4.177 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCCc3ccccc32)cc1 ZINC000237205470 1042931875 /nfs/dbraw/zinc/93/18/75/1042931875.db2.gz KXIRWTLAXUIRSZ-HXUWFJFHSA-N 1 0 333.479 4.246 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168005225 1042963628 /nfs/dbraw/zinc/96/36/28/1042963628.db2.gz IBGWXYNNPDDKTQ-OPMZPASUSA-N 1 0 333.479 4.089 20 30 EIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1([NH+](C)C)CCC1 ZINC000843774974 1043000082 /nfs/dbraw/zinc/00/00/82/1043000082.db2.gz ZBGIZEGCJXIARQ-UHFFFAOYSA-N 1 0 349.434 4.082 20 30 EIEDRO C[NH+](C)CCCCC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000729521490 1043002245 /nfs/dbraw/zinc/00/22/45/1043002245.db2.gz YZLRCBKYOFDUPT-FQEVSTJZSA-N 1 0 335.451 4.012 20 30 EIEDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000112599548 1043118011 /nfs/dbraw/zinc/11/80/11/1043118011.db2.gz LVVNPXFEUPQXQO-QWHCGFSZSA-N 1 0 333.863 4.049 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000184838100 1043134097 /nfs/dbraw/zinc/13/40/97/1043134097.db2.gz ZQKLGMBHWSDWDQ-CZUORRHYSA-N 1 0 342.405 4.027 20 30 EIEDRO CC(C)[Si](C#C[NH2+]CCc1cc(O)c(O)cc1O)(C(C)C)C(C)C ZINC001168010217 1043137745 /nfs/dbraw/zinc/13/77/45/1043137745.db2.gz SZHLABCIITZVGS-UHFFFAOYSA-N 1 0 349.547 4.114 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CCSc3cc(C)c(C)cc32)CC1 ZINC000427706716 1043170035 /nfs/dbraw/zinc/17/00/35/1043170035.db2.gz VQMYMLDWEMBVAM-LJQANCHMSA-N 1 0 330.541 4.470 20 30 EIEDRO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1OCCc2ccccc21 ZINC000487403157 1043170568 /nfs/dbraw/zinc/17/05/68/1043170568.db2.gz VNQBYCZIHNUZOI-NRFANRHFSA-N 1 0 334.463 4.234 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(c3ccccc3Br)CC2)C1 ZINC000185843379 1043223793 /nfs/dbraw/zinc/22/37/93/1043223793.db2.gz QKWCVIPTEFHTRC-ZIAGYGMSSA-N 1 0 333.273 4.153 20 30 EIEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c(OCC(F)(F)F)c1 ZINC000185862457 1043226250 /nfs/dbraw/zinc/22/62/50/1043226250.db2.gz FMSNEDNJNDMOLL-HIFRSBDPSA-N 1 0 326.362 4.108 20 30 EIEDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000366865398 1043306290 /nfs/dbraw/zinc/30/62/90/1043306290.db2.gz CKCCBEPZHHPFAR-QUCCMNQESA-N 1 0 326.484 4.355 20 30 EIEDRO C[C@H](C1CCCCC1)[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000282509989 1043332459 /nfs/dbraw/zinc/33/24/59/1043332459.db2.gz RWZPOWVNMWXXBG-OAHLLOKOSA-N 1 0 345.512 4.141 20 30 EIEDRO CC(C)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000557339353 1043375474 /nfs/dbraw/zinc/37/54/74/1043375474.db2.gz IVEJOAILLWBUCA-UHFFFAOYSA-N 1 0 341.842 4.065 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCc3c2cccc3Cl)cc1 ZINC000126922176 1043410916 /nfs/dbraw/zinc/41/09/16/1043410916.db2.gz GLSGVKZAHKHAFN-FQEVSTJZSA-N 1 0 339.870 4.467 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=S)Nc2cccc(C(C)C)c2)CC1 ZINC000729942351 1043410959 /nfs/dbraw/zinc/41/09/59/1043410959.db2.gz KWUZBKHOSHJYJJ-UHFFFAOYSA-N 1 0 331.529 4.137 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2ccc(C(F)(F)F)c(Cl)n2)CC1 ZINC000729986392 1043426804 /nfs/dbraw/zinc/42/68/04/1043426804.db2.gz MPXGDMBQMJDVIE-UHFFFAOYSA-N 1 0 333.785 4.206 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1csc2ccccc21 ZINC000730023981 1043430672 /nfs/dbraw/zinc/43/06/72/1043430672.db2.gz YKSVJPSVTXJJBX-HUUCEWRRSA-N 1 0 330.497 4.365 20 30 EIEDRO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1c1ccccc1 ZINC000366893331 1043442145 /nfs/dbraw/zinc/44/21/45/1043442145.db2.gz GSNOGMWLFCMMCR-ICSRJNTNSA-N 1 0 326.484 4.213 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2c(C)noc2C)ccc1OC ZINC000113957733 1043462517 /nfs/dbraw/zinc/46/25/17/1043462517.db2.gz JMGYXDCDVMUFQZ-CYBMUJFWSA-N 1 0 330.428 4.106 20 30 EIEDRO Clc1ccc([C@H]2OCC[C@H]2[NH2+]CC#Cc2cccc(Cl)c2)cc1 ZINC000494478474 1043510677 /nfs/dbraw/zinc/51/06/77/1043510677.db2.gz VTRZPSUENFYUJN-RTBURBONSA-N 1 0 346.257 4.465 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000467438685 1043524614 /nfs/dbraw/zinc/52/46/14/1043524614.db2.gz PJWUHEOXTLVABG-QGZVFWFLSA-N 1 0 349.478 4.231 20 30 EIEDRO CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCc2cccc(C#N)c2)cc1 ZINC000467438684 1043527021 /nfs/dbraw/zinc/52/70/21/1043527021.db2.gz PJWUHEOXTLVABG-KRWDZBQOSA-N 1 0 349.478 4.231 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]Cc2cnc(Cl)s2)ccc1OC ZINC000895156116 1043621926 /nfs/dbraw/zinc/62/19/26/1043621926.db2.gz UEOMXENLOSEKAW-UHFFFAOYSA-N 1 0 338.860 4.050 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000658058622 1043701564 /nfs/dbraw/zinc/70/15/64/1043701564.db2.gz CWBJGFNYQNIUDX-BRWVUGGUSA-N 1 0 330.472 4.137 20 30 EIEDRO CC[N@H+](Cc1ccc(OCC#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000731355790 1043740085 /nfs/dbraw/zinc/74/00/85/1043740085.db2.gz IASWSRQBOOXMHR-QGZVFWFLSA-N 1 0 338.451 4.051 20 30 EIEDRO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)Nc2ccccc2C#N)s1 ZINC000114733248 1043740771 /nfs/dbraw/zinc/74/07/71/1043740771.db2.gz WQUYOFOVUHKDKV-YOEHRIQHSA-N 1 0 339.464 4.092 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000521471445 1043799378 /nfs/dbraw/zinc/79/93/78/1043799378.db2.gz DRLTWGJCMBNPPI-HXUWFJFHSA-N 1 0 332.919 4.291 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)cc1C#N ZINC000172688428 1043815562 /nfs/dbraw/zinc/81/55/62/1043815562.db2.gz IVTWJYKGLMNRBD-GFCCVEGCSA-N 1 0 332.350 4.019 20 30 EIEDRO CC(C)Oc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC000442792466 1043843141 /nfs/dbraw/zinc/84/31/41/1043843141.db2.gz QDBCFJDMKPRESS-JSGCOSHPSA-N 1 0 326.362 4.274 20 30 EIEDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000494622084 1043858897 /nfs/dbraw/zinc/85/88/97/1043858897.db2.gz SQXBIROJBAIBRV-KXBFYZLASA-N 1 0 347.380 4.423 20 30 EIEDRO CCC(CC)(C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000442836669 1043860703 /nfs/dbraw/zinc/86/07/03/1043860703.db2.gz OJDKLDNMNDROAU-WBVHZDCISA-N 1 0 330.472 4.043 20 30 EIEDRO C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000732183235 1043883303 /nfs/dbraw/zinc/88/33/03/1043883303.db2.gz NFDWJOSINYWQRG-HNNXBMFYSA-N 1 0 339.464 4.354 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000467384526 1043889364 /nfs/dbraw/zinc/88/93/64/1043889364.db2.gz JETPTIFWFYDBDU-QGZVFWFLSA-N 1 0 333.435 4.288 20 30 EIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1OC(F)(F)F ZINC000543138877 1043952917 /nfs/dbraw/zinc/95/29/17/1043952917.db2.gz MPHBYWBPNHCXMS-UHFFFAOYSA-N 1 0 334.341 4.283 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C[C@H](c2ccccc2Cl)N(C)C)c1 ZINC000521823298 1044014811 /nfs/dbraw/zinc/01/48/11/1044014811.db2.gz UWTFKWYCFJFQGX-HXUWFJFHSA-N 1 0 344.886 4.297 20 30 EIEDRO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)N(C)C ZINC000443198120 1044089001 /nfs/dbraw/zinc/08/90/01/1044089001.db2.gz BTMOQGQHHZIGLC-MRUHUIDDSA-N 1 0 339.458 4.348 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2c(C)[nH]c3ccccc32)cc1 ZINC000733326807 1044187839 /nfs/dbraw/zinc/18/78/39/1044187839.db2.gz CHUCBEHIFZSALK-UHFFFAOYSA-N 1 0 332.447 4.211 20 30 EIEDRO C#CCOc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)cc1 ZINC000733327110 1044188031 /nfs/dbraw/zinc/18/80/31/1044188031.db2.gz KJWUSWRIBAVOQU-QGZVFWFLSA-N 1 0 345.446 4.044 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]CCc2ccc(OC(C)C)cc2)cc1 ZINC000733324021 1044188991 /nfs/dbraw/zinc/18/89/91/1044188991.db2.gz FCMGLHUZVQIDCB-UHFFFAOYSA-N 1 0 337.463 4.208 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000733325312 1044189685 /nfs/dbraw/zinc/18/96/85/1044189685.db2.gz IMURVNIPTLYKPG-HXUWFJFHSA-N 1 0 339.410 4.231 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000733328360 1044192418 /nfs/dbraw/zinc/19/24/18/1044192418.db2.gz RVSVHSJKSBDUJZ-UHFFFAOYSA-N 1 0 348.490 4.225 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000245836804 1044193001 /nfs/dbraw/zinc/19/30/01/1044193001.db2.gz CTGGQYAQDQFOHF-AGRHKRQWSA-N 1 0 326.827 4.392 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]C/C=C\c2ccccc2)ccc1OC ZINC000733330175 1044193172 /nfs/dbraw/zinc/19/31/72/1044193172.db2.gz QWDSBDFCUNGAQI-KWEPMOPPSA-N 1 0 336.435 4.179 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)cc1 ZINC000733328300 1044194100 /nfs/dbraw/zinc/19/41/00/1044194100.db2.gz NZMUBAOOVJDJOB-UHFFFAOYSA-N 1 0 332.447 4.395 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cccc(C#N)c1 ZINC000245831414 1044195001 /nfs/dbraw/zinc/19/50/01/1044195001.db2.gz BSRTZQCPEIETDD-NXXSPTCGSA-N 1 0 328.362 4.017 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000466278842 1044199028 /nfs/dbraw/zinc/19/90/28/1044199028.db2.gz YXWGKWQTGYFJKP-NLWGTHIKSA-N 1 0 328.500 4.006 20 30 EIEDRO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc(C#N)c1 ZINC000131031990 1044256219 /nfs/dbraw/zinc/25/62/19/1044256219.db2.gz VGKPRZSDPGHLIP-UHFFFAOYSA-N 1 0 344.462 4.331 20 30 EIEDRO C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1ccc(C#N)cc1 ZINC000174388781 1044266926 /nfs/dbraw/zinc/26/69/26/1044266926.db2.gz AOPSYUDLLWMBRC-OAHLLOKOSA-N 1 0 330.435 4.023 20 30 EIEDRO CCC(CC)(CNCc1ccc(C#N)o1)[NH2+][C@H](C)c1ccccc1 ZINC000174419153 1044269302 /nfs/dbraw/zinc/26/93/02/1044269302.db2.gz PZCWDHVDMPQSMA-MRXNPFEDSA-N 1 0 325.456 4.150 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)Cc1cccs1 ZINC000174533926 1044288616 /nfs/dbraw/zinc/28/86/16/1044288616.db2.gz JMPWKTRTXWWDRD-MRXNPFEDSA-N 1 0 328.481 4.399 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000766140899 1044330164 /nfs/dbraw/zinc/33/01/64/1044330164.db2.gz LSOVSEXCWDXOPY-VIBAHUMZSA-N 1 0 335.875 4.282 20 30 EIEDRO C=CC[C@H](CC)NC(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000466386166 1044349126 /nfs/dbraw/zinc/34/91/26/1044349126.db2.gz NUCXWWTWGPKFED-IHPCNDPISA-N 1 0 343.515 4.208 20 30 EIEDRO C=CCCCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000474080462 1044368746 /nfs/dbraw/zinc/36/87/46/1044368746.db2.gz NFUYYTSTQJYRRU-ICSRJNTNSA-N 1 0 343.515 4.037 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H](CC(C)C)C(=O)OC(C)C)c(O)c1 ZINC000733904622 1044411982 /nfs/dbraw/zinc/41/19/82/1044411982.db2.gz YSTUNERLKGLYIS-LANLRWRYSA-N 1 0 348.487 4.024 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2c(Cl)cccc2N2CCCC2)c1 ZINC000466424342 1044447914 /nfs/dbraw/zinc/44/79/14/1044447914.db2.gz VRRGPQHVRQCJSZ-UHFFFAOYSA-N 1 0 339.870 4.144 20 30 EIEDRO CCCCOc1cc(C[NH2+]CCc2cccc(C#N)c2)ccc1OC ZINC000466425796 1044447987 /nfs/dbraw/zinc/44/79/87/1044447987.db2.gz PDVHXHTULSLPLH-UHFFFAOYSA-N 1 0 338.451 4.078 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000466424149 1044449409 /nfs/dbraw/zinc/44/94/09/1044449409.db2.gz GKSVTANBGVGLBR-UHFFFAOYSA-N 1 0 336.769 4.145 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000734096244 1044473186 /nfs/dbraw/zinc/47/31/86/1044473186.db2.gz LJSKRPSMWQMAFC-UZQMFHLOSA-N 1 0 328.843 4.129 20 30 EIEDRO CCCC[N@H+](CCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000550524869 1044506012 /nfs/dbraw/zinc/50/60/12/1044506012.db2.gz NRUVCNAHIHEABY-UHFFFAOYSA-N 1 0 333.501 4.383 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000474103422 1044517490 /nfs/dbraw/zinc/51/74/90/1044517490.db2.gz CUAPULNRBBBHKR-UHFFFAOYSA-N 1 0 344.871 4.170 20 30 EIEDRO C[NH+](C)Cc1cc(C/N=C\c2c(O)ccc3ccccc32)ccc1F ZINC000734303206 1044528717 /nfs/dbraw/zinc/52/87/17/1044528717.db2.gz HEOFNDHACNOBFC-QRVIBDJDSA-N 1 0 336.410 4.365 20 30 EIEDRO C=CCCOCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000494967304 1044562620 /nfs/dbraw/zinc/56/26/20/1044562620.db2.gz HRICJDCJJCCCOA-HXUWFJFHSA-N 1 0 329.415 4.106 20 30 EIEDRO C=C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000675934145 1044578436 /nfs/dbraw/zinc/57/84/36/1044578436.db2.gz JDBLGUSJZHKPDL-ZJUUUORDSA-N 1 0 334.769 4.240 20 30 EIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)C2CCCCC2)c(C#N)c1C ZINC000542530715 1044581133 /nfs/dbraw/zinc/58/11/33/1044581133.db2.gz HFONSWDMVLFNMR-QEJZJMRPSA-N 1 0 345.487 4.290 20 30 EIEDRO CCCCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000734510902 1044593192 /nfs/dbraw/zinc/59/31/92/1044593192.db2.gz UYROINMDIUBTBH-MAUKXSAKSA-N 1 0 329.488 4.470 20 30 EIEDRO CC[NH+](CC)CCCC1CCN(c2cc(C#N)ccc2C(C)=O)CC1 ZINC000543437139 1044601647 /nfs/dbraw/zinc/60/16/47/1044601647.db2.gz FVDVTFIAUBBYAQ-UHFFFAOYSA-N 1 0 341.499 4.099 20 30 EIEDRO CCCCCCCOc1ccc(-c2noc([C@]3(C)CC[NH2+]C3)n2)cc1 ZINC001212200433 1044617161 /nfs/dbraw/zinc/61/71/61/1044617161.db2.gz BKMSQATWZYJQIK-HXUWFJFHSA-N 1 0 343.471 4.337 20 30 EIEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(CN=Nc2ccccc2F)c1C ZINC000914695383 1044669792 /nfs/dbraw/zinc/66/97/92/1044669792.db2.gz SCUBTPFMKWSVJU-GOSISDBHSA-N 1 0 342.462 4.174 20 30 EIEDRO O=c1[nH]c2ccccc2cc1C=NCc1cccc(C[NH+]2CCCC2)c1 ZINC000914701751 1044679104 /nfs/dbraw/zinc/67/91/04/1044679104.db2.gz OKPHFFXOTFQMJZ-HAHDFKILSA-N 1 0 345.446 4.155 20 30 EIEDRO C=CC[N@H+](Cc1cc(Br)ccc1F)[C@@H]1CCO[C@H](C)C1 ZINC000420906169 1044773937 /nfs/dbraw/zinc/77/39/37/1044773937.db2.gz RRZCKDKWMZZELW-IUODEOHRSA-N 1 0 342.252 4.144 20 30 EIEDRO C=C(C)C[NH+]1CCC(NCc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000106245725 1044783727 /nfs/dbraw/zinc/78/37/27/1044783727.db2.gz XKQPIVKVKFFLHD-UHFFFAOYSA-N 1 0 345.487 4.079 20 30 EIEDRO C[N@H+](CCc1ccc(F)cc1)Cc1cc(Cl)ccc1OCC#N ZINC000735308309 1044784455 /nfs/dbraw/zinc/78/44/55/1044784455.db2.gz GPALEROUOYLARF-UHFFFAOYSA-N 1 0 332.806 4.056 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000735306077 1044789567 /nfs/dbraw/zinc/78/95/67/1044789567.db2.gz HRIWYEXULZWZSY-UHFFFAOYSA-N 1 0 326.827 4.411 20 30 EIEDRO N#Cc1ccc(OCCC[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000735494965 1044832664 /nfs/dbraw/zinc/83/26/64/1044832664.db2.gz LYACLRWWEZGFEZ-FQEVSTJZSA-N 1 0 338.476 4.117 20 30 EIEDRO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000922600808 1044837223 /nfs/dbraw/zinc/83/72/23/1044837223.db2.gz UTZSPJDERMYXKX-UHFFFAOYSA-N 1 0 347.462 4.352 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)o1 ZINC000093772282 1044853106 /nfs/dbraw/zinc/85/31/06/1044853106.db2.gz YJWJHXULKHEUHE-SNVBAGLBSA-N 1 0 341.358 4.006 20 30 EIEDRO C=CCOCCC[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428927272 1044866023 /nfs/dbraw/zinc/86/60/23/1044866023.db2.gz IOYMUUHRHDJSHQ-WMLDXEAASA-N 1 0 343.389 4.060 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 ZINC000922691370 1044888861 /nfs/dbraw/zinc/88/88/61/1044888861.db2.gz ISFTUFHBHRSHCZ-CVEARBPZSA-N 1 0 340.389 4.077 20 30 EIEDRO C=CCSCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000232558680 1044962613 /nfs/dbraw/zinc/96/26/13/1044962613.db2.gz NQGAOAOVKMVNGP-UHFFFAOYSA-N 1 0 326.303 4.204 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000495416417 1045071952 /nfs/dbraw/zinc/07/19/52/1045071952.db2.gz ZUDIUBYEKLEMKJ-GFCCVEGCSA-N 1 0 329.787 4.013 20 30 EIEDRO CC(C)[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000915113255 1045111182 /nfs/dbraw/zinc/11/11/82/1045111182.db2.gz SJNDPFXOYZCYBG-CCULFSDZSA-N 1 0 339.483 4.116 20 30 EIEDRO CCCCCCCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738963243 1045115542 /nfs/dbraw/zinc/11/55/42/1045115542.db2.gz NFJYGRQSJCDQBG-LJQANCHMSA-N 1 0 337.552 4.397 20 30 EIEDRO N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C(F)(F)F)c1 ZINC000161879096 1045176208 /nfs/dbraw/zinc/17/62/08/1045176208.db2.gz YFKVUVGPIWTJEX-RHSMWYFYSA-N 1 0 349.400 4.030 20 30 EIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000542559644 1045192648 /nfs/dbraw/zinc/19/26/48/1045192648.db2.gz VJENGVMZIJSYNH-QWHCGFSZSA-N 1 0 326.893 4.031 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000282433203 1045213605 /nfs/dbraw/zinc/21/36/05/1045213605.db2.gz KGKVDDLBOHUICX-INIZCTEOSA-N 1 0 338.373 4.143 20 30 EIEDRO CCC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1Cl ZINC000611132108 1045254632 /nfs/dbraw/zinc/25/46/32/1045254632.db2.gz QCUZULSRMKQXCD-QGZVFWFLSA-N 1 0 340.298 4.412 20 30 EIEDRO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000611262736 1045268869 /nfs/dbraw/zinc/26/88/69/1045268869.db2.gz OCTFLVGVIHGZJR-KRWDZBQOSA-N 1 0 336.435 4.325 20 30 EIEDRO N#Cc1ccc(C2=CC[N@H+](Cc3nccc4ccccc43)CC2)cc1 ZINC000611287734 1045275047 /nfs/dbraw/zinc/27/50/47/1045275047.db2.gz OZMJPYIMMDATSF-UHFFFAOYSA-N 1 0 325.415 4.396 20 30 EIEDRO CCCC[C@@H](CC)CC[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000611292703 1045276368 /nfs/dbraw/zinc/27/63/68/1045276368.db2.gz FJWOENPHVJJUJY-QGZVFWFLSA-N 1 0 328.504 4.118 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2OCCc3ccccc32)CC1 ZINC000611335799 1045281876 /nfs/dbraw/zinc/28/18/76/1045281876.db2.gz NEZDTZQJEBCAKW-APKLWFBNSA-N 1 0 346.474 4.294 20 30 EIEDRO CCCCCc1ccc([C@H]([NH2+]C2CCN(CC#N)CC2)C2CC2)cc1 ZINC000611366239 1045293063 /nfs/dbraw/zinc/29/30/63/1045293063.db2.gz WJXZBCGNMIADEQ-QFIPXVFZSA-N 1 0 339.527 4.448 20 30 EIEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(C#N)c1 ZINC000611389029 1045294044 /nfs/dbraw/zinc/29/40/44/1045294044.db2.gz VVTVRECGALTDEZ-NSHDSACASA-N 1 0 348.233 4.154 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cccc(-n2ccnc2)c1 ZINC000611393446 1045296526 /nfs/dbraw/zinc/29/65/26/1045296526.db2.gz UHZKUUXCCDUIGL-AOMKIAJQSA-N 1 0 342.446 4.472 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000611392392 1045296909 /nfs/dbraw/zinc/29/69/09/1045296909.db2.gz QDQUQCWXOATLKQ-FQEVSTJZSA-N 1 0 333.410 4.388 20 30 EIEDRO COc1cccc(O[C@@H](C)C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611393121 1045298600 /nfs/dbraw/zinc/29/86/00/1045298600.db2.gz KDFIAWQGSKTSII-BTYIYWSLSA-N 1 0 336.435 4.001 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000611393290 1045298735 /nfs/dbraw/zinc/29/87/35/1045298735.db2.gz BANLPHPAJYKRJA-HJNYFJLDSA-N 1 0 332.447 4.303 20 30 EIEDRO COC(=O)CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000611394170 1045298824 /nfs/dbraw/zinc/29/88/24/1045298824.db2.gz OFSAHLHQQYDYST-NHCUHLMSSA-N 1 0 348.446 4.220 20 30 EIEDRO CCCCCn1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c(C)n1 ZINC000611395164 1045300927 /nfs/dbraw/zinc/30/09/27/1045300927.db2.gz OLHPUPZKABDYHH-NRFANRHFSA-N 1 0 336.483 4.421 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000611391011 1045302609 /nfs/dbraw/zinc/30/26/09/1045302609.db2.gz ZKGNPCJXGPVERC-JOCHJYFZSA-N 1 0 346.474 4.274 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCOCCc1ccccc1 ZINC000611391149 1045302800 /nfs/dbraw/zinc/30/28/00/1045302800.db2.gz WCKWXXBSRZXVKL-QFIPXVFZSA-N 1 0 334.463 4.175 20 30 EIEDRO CC(C)C([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000611434033 1045304925 /nfs/dbraw/zinc/30/49/25/1045304925.db2.gz HBOQFWXLSVXNHI-HNNXBMFYSA-N 1 0 347.528 4.290 20 30 EIEDRO C[C@@H](N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000611438274 1045307635 /nfs/dbraw/zinc/30/76/35/1045307635.db2.gz AUOFNUMVINUFSI-XMSQKQJNSA-N 1 0 333.479 4.436 20 30 EIEDRO C[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000611465799 1045313070 /nfs/dbraw/zinc/31/30/70/1045313070.db2.gz UYHPYDIMBTUATR-MGPUTAFESA-N 1 0 348.425 4.065 20 30 EIEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)c1 ZINC000611488224 1045317152 /nfs/dbraw/zinc/31/71/52/1045317152.db2.gz GMOXFHGGPFRQOD-LJQANCHMSA-N 1 0 349.482 4.104 20 30 EIEDRO COC(=O)Nc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000495752146 1045326686 /nfs/dbraw/zinc/32/66/86/1045326686.db2.gz GCZFWGCXHYYWPJ-HXUWFJFHSA-N 1 0 349.434 4.294 20 30 EIEDRO N#CCCCOc1cccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000237827512 1045396404 /nfs/dbraw/zinc/39/64/04/1045396404.db2.gz KQXBCULYHUVPJT-NRFANRHFSA-N 1 0 349.478 4.446 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccco1 ZINC000495815840 1045421771 /nfs/dbraw/zinc/42/17/71/1045421771.db2.gz DDYMCEXIIPIFGE-KRWDZBQOSA-N 1 0 326.396 4.033 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@@H+]2CCCCC#N)C1 ZINC000495982890 1045452986 /nfs/dbraw/zinc/45/29/86/1045452986.db2.gz PEHBOSHNALAKCV-MSOLQXFVSA-N 1 0 349.519 4.182 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(-c3ccccc3)c(C)c2)CC1 ZINC000762949148 1045453078 /nfs/dbraw/zinc/45/30/78/1045453078.db2.gz LWVMNCGDARNFCK-UHFFFAOYSA-N 1 0 349.478 4.434 20 30 EIEDRO CC[NH+](CC)Cc1ccccc1Nc1ccc(NC(C)=O)c(C#N)c1 ZINC001211993694 1045551869 /nfs/dbraw/zinc/55/18/69/1045551869.db2.gz AUMQONBPBYWTQI-UHFFFAOYSA-N 1 0 336.439 4.102 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(OC)c(Cl)c1 ZINC000533558990 1045571426 /nfs/dbraw/zinc/57/14/26/1045571426.db2.gz XONXNPLIHDAAOG-UHFFFAOYSA-N 1 0 329.831 4.027 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccccc2Cl)cc1 ZINC000768170602 1045737077 /nfs/dbraw/zinc/73/70/77/1045737077.db2.gz PNOHNLLHMHABFA-UHFFFAOYSA-N 1 0 327.859 4.322 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)cc1F ZINC000768200731 1045740490 /nfs/dbraw/zinc/74/04/90/1045740490.db2.gz QZLOTGBXJWCAMT-UHFFFAOYSA-N 1 0 342.414 4.149 20 30 EIEDRO C#CC[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)c1ccccc1 ZINC000791489047 1045749226 /nfs/dbraw/zinc/74/92/26/1045749226.db2.gz BHTRODHAVOHFDT-PKTZIBPZSA-N 1 0 329.443 4.097 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCOc2cccc(Cl)c2)cc1 ZINC000768213868 1045755095 /nfs/dbraw/zinc/75/50/95/1045755095.db2.gz VLWDOAUWZOSOSR-HNNXBMFYSA-N 1 0 344.842 4.142 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000768228929 1045760248 /nfs/dbraw/zinc/76/02/48/1045760248.db2.gz MMVCIPAOFYBWSF-QFIPXVFZSA-N 1 0 333.479 4.244 20 30 EIEDRO C=CCOc1ccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)cc1 ZINC000768235033 1045761051 /nfs/dbraw/zinc/76/10/51/1045761051.db2.gz VXSVOFIMDINRIO-QFIPXVFZSA-N 1 0 337.463 4.197 20 30 EIEDRO CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763231730 1045780093 /nfs/dbraw/zinc/78/00/93/1045780093.db2.gz PQDHYAQDAAPHRQ-IBGZPJMESA-N 1 0 328.843 4.156 20 30 EIEDRO CC(C)c1ccc(C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000763232779 1045786469 /nfs/dbraw/zinc/78/64/69/1045786469.db2.gz HXJWTXVXMIQSDN-JOCHJYFZSA-N 1 0 334.463 4.380 20 30 EIEDRO C=CC[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)C(C)C ZINC000768552359 1045819362 /nfs/dbraw/zinc/81/93/62/1045819362.db2.gz UXFWLARAJHCEBB-UHFFFAOYSA-N 1 0 332.451 4.331 20 30 EIEDRO C=CC[N@@H+](Cc1ccc(OCc2ccncc2)c(OC)c1)C(C)C ZINC000768547082 1045822609 /nfs/dbraw/zinc/82/26/09/1045822609.db2.gz HXZKEDNVGAXRRH-UHFFFAOYSA-N 1 0 326.440 4.066 20 30 EIEDRO C=CC[N@@H+](Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C(C)C ZINC000768547775 1045823007 /nfs/dbraw/zinc/82/30/07/1045823007.db2.gz OUQAZNAZJJRVLD-UHFFFAOYSA-N 1 0 338.451 4.344 20 30 EIEDRO COCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H](C)c1ccccc1 ZINC000768597272 1045824621 /nfs/dbraw/zinc/82/46/21/1045824621.db2.gz QVIZQVDDOLOCRO-QZTJIDSGSA-N 1 0 338.451 4.187 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000326593192 1045829250 /nfs/dbraw/zinc/82/92/50/1045829250.db2.gz DEKKSWZDPXCCKU-OAQYLSRUSA-N 1 0 336.479 4.178 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(OCC3CCCCC3)CC2)cc1 ZINC000743853839 1045849526 /nfs/dbraw/zinc/84/95/26/1045849526.db2.gz GJWNDCVTDDBFNC-UHFFFAOYSA-N 1 0 342.483 4.150 20 30 EIEDRO C(=[NH+]NCc1cccc2cccnc21)c1ccc(N2CCCCC2)cc1 ZINC000915961749 1045856821 /nfs/dbraw/zinc/85/68/21/1045856821.db2.gz BRWIEJZKEROFEE-UHFFFAOYSA-N 1 0 344.462 4.349 20 30 EIEDRO Cc1ccccc1OCCC[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768919736 1045860393 /nfs/dbraw/zinc/86/03/93/1045860393.db2.gz BPGFFJHOSYDXQZ-SFHVURJKSA-N 1 0 338.451 4.187 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000768991351 1045868400 /nfs/dbraw/zinc/86/84/00/1045868400.db2.gz KNOCQORWPVHKQF-UZLBHIALSA-N 1 0 338.426 4.324 20 30 EIEDRO CCO[C@@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C12CCCCC2 ZINC001169997951 1045869342 /nfs/dbraw/zinc/86/93/42/1045869342.db2.gz CHMOAIUQIZHORX-RBUKOAKNSA-N 1 0 331.887 4.409 20 30 EIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)o1 ZINC000769110379 1045880927 /nfs/dbraw/zinc/88/09/27/1045880927.db2.gz XLBOTZPYOVMYER-OAHLLOKOSA-N 1 0 345.240 4.121 20 30 EIEDRO N#CC1CC[NH+](Cc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000769192717 1045885257 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4.070 20 30 EIEDRO CCc1ccccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000077446427 1045949995 /nfs/dbraw/zinc/94/99/95/1045949995.db2.gz OOKUGANEWPNCPM-UHFFFAOYSA-N 1 0 344.462 4.316 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000769426713 1045958936 /nfs/dbraw/zinc/95/89/36/1045958936.db2.gz HBNOUOSURLMLAJ-MRXNPFEDSA-N 1 0 338.426 4.324 20 30 EIEDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769446736 1045975648 /nfs/dbraw/zinc/97/56/48/1045975648.db2.gz TUGHWOFQPJZQBM-GHTZIAJQSA-N 1 0 333.479 4.414 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)cc1 ZINC000769465340 1045983261 /nfs/dbraw/zinc/98/32/61/1045983261.db2.gz FYIKUZCFORBJJR-MDZRGWNJSA-N 1 0 338.426 4.495 20 30 EIEDRO C#CCCOc1ccc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)cc1 ZINC000769471699 1045986196 /nfs/dbraw/zinc/98/61/96/1045986196.db2.gz BTXDFNCKYWLPKJ-LJQANCHMSA-N 1 0 335.447 4.087 20 30 EIEDRO CCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 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OSLSTRYUCYVWMN-ORFBVSJDSA-N 1 0 340.511 4.311 20 30 EIEDRO N#CC1(c2ccccc2)CCC(n2cnc3ccc(C[NH3+])cc32)CC1 ZINC001170362213 1046016152 /nfs/dbraw/zinc/01/61/52/1046016152.db2.gz PUVAQIFIFYXUOA-UHFFFAOYSA-N 1 0 330.435 4.072 20 30 EIEDRO N#CCc1cc(F)cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001170337702 1046017146 /nfs/dbraw/zinc/01/71/46/1046017146.db2.gz VFPUCPSOGHDOBF-DKUWSORSSA-N 1 0 349.453 4.499 20 30 EIEDRO C[N@H+](CC(=O)c1ccccc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170396044 1046029270 /nfs/dbraw/zinc/02/92/70/1046029270.db2.gz TVIDXRATZRPVMH-UHFFFAOYSA-N 1 0 332.447 4.205 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCc3ccncc32)CC1 ZINC001170375965 1046030331 /nfs/dbraw/zinc/03/03/31/1046030331.db2.gz IPVGWABGKZJNCS-IRQNMHNUSA-N 1 0 331.463 4.453 20 30 EIEDRO CC(C)(C)CN1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170372031 1046031651 /nfs/dbraw/zinc/03/16/51/1046031651.db2.gz UBNLQPDXFPFMBF-FUHYEJFZSA-N 1 0 339.527 4.101 20 30 EIEDRO COc1cc([C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)ccn1 ZINC001170377267 1046033283 /nfs/dbraw/zinc/03/32/83/1046033283.db2.gz YAIQPMFCSHYANH-YQHFOJDRSA-N 1 0 335.451 4.145 20 30 EIEDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000769725696 1046055001 /nfs/dbraw/zinc/05/50/01/1046055001.db2.gz FDXLRSWIYTXBPX-MRXNPFEDSA-N 1 0 337.508 4.038 20 30 EIEDRO C=CC[C@H]1[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)CCCC1(C)C ZINC000769952204 1046108182 /nfs/dbraw/zinc/10/81/82/1046108182.db2.gz AQQQFBTVYYWMPL-MRXNPFEDSA-N 1 0 329.419 4.442 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2sccc2OC)c1 ZINC000769961295 1046110856 /nfs/dbraw/zinc/11/08/56/1046110856.db2.gz DTEWIVAJQQHXNS-UKRRQHHQSA-N 1 0 330.453 4.288 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCc2nc(C3CCCCC3)cs2)cc1 ZINC000237842545 1046116131 /nfs/dbraw/zinc/11/61/31/1046116131.db2.gz SXABWGVJDNBYRI-UHFFFAOYSA-N 1 0 325.481 4.395 20 30 EIEDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000792989698 1046119358 /nfs/dbraw/zinc/11/93/58/1046119358.db2.gz JEWAKZZULUKLES-IAGOWNOFSA-N 1 0 326.465 4.334 20 30 EIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1cccc(Cl)n1 ZINC000793175559 1046165000 /nfs/dbraw/zinc/16/50/00/1046165000.db2.gz TVRLWFPLOIFTNA-CQSZACIVSA-N 1 0 328.847 4.045 20 30 EIEDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000497019380 1046167670 /nfs/dbraw/zinc/16/76/70/1046167670.db2.gz SEXHVXVLXOWOMP-IAGOWNOFSA-N 1 0 349.519 4.228 20 30 EIEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000770292827 1046173537 /nfs/dbraw/zinc/17/35/37/1046173537.db2.gz UCWAAUDKICMNBB-MJGOQNOKSA-N 1 0 343.492 4.401 20 30 EIEDRO CSc1ccccc1C[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000793233051 1046180238 /nfs/dbraw/zinc/18/02/38/1046180238.db2.gz ORHNXAQIKZOPMH-UHFFFAOYSA-N 1 0 339.508 4.390 20 30 EIEDRO C[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)cc1F ZINC000611587641 1046192413 /nfs/dbraw/zinc/19/24/13/1046192413.db2.gz KMMXLCBQIPHZAN-YWZLYKJASA-N 1 0 348.425 4.065 20 30 EIEDRO C#CCOc1ccccc1CNc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000793337061 1046211103 /nfs/dbraw/zinc/21/11/03/1046211103.db2.gz ALHROCRWNJLDAU-UHFFFAOYSA-N 1 0 328.843 4.026 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(F)(F)CC3)c2)c1 ZINC000793361773 1046215434 /nfs/dbraw/zinc/21/54/34/1046215434.db2.gz KZBAZPNNJRLQDL-UHFFFAOYSA-N 1 0 342.389 4.368 20 30 EIEDRO C=CCCCCC[C@@H](C)[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000793513277 1046259401 /nfs/dbraw/zinc/25/94/01/1046259401.db2.gz AIKKXGYTLYWKMP-GFCCVEGCSA-N 1 0 328.378 4.157 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000154145803 1046335650 /nfs/dbraw/zinc/33/56/50/1046335650.db2.gz QAWGQNQUJJVCEQ-QZTJIDSGSA-N 1 0 349.478 4.428 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OC)cc2OC)cc1 ZINC000154175519 1046351948 /nfs/dbraw/zinc/35/19/48/1046351948.db2.gz ONADDUDWBLCYPM-HOTGVXAUSA-N 1 0 339.435 4.128 20 30 EIEDRO CCCCCCCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000747191313 1046543670 /nfs/dbraw/zinc/54/36/70/1046543670.db2.gz CBKKCUQABPFFBM-UHFFFAOYSA-N 1 0 336.545 4.437 20 30 EIEDRO C[NH+](C)[C@@H](CNc1nc(Cl)c(C#N)s1)c1ccc(Cl)cc1 ZINC000804531685 1046574163 /nfs/dbraw/zinc/57/41/63/1046574163.db2.gz QHROTDUJSUWZFC-NSHDSACASA-N 1 0 341.267 4.036 20 30 EIEDRO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000917063778 1046615009 /nfs/dbraw/zinc/61/50/09/1046615009.db2.gz JILWEJBSZAUODA-FQEVSTJZSA-N 1 0 338.426 4.173 20 30 EIEDRO C[C@H](C#N)CN(Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000536665063 1046638843 /nfs/dbraw/zinc/63/88/43/1046638843.db2.gz OWGRDKXQFYEVGL-QGZVFWFLSA-N 1 0 345.446 4.261 20 30 EIEDRO CC[C@@H]1C[C@@]1(NCc1c(C#N)cccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000459440863 1046667723 /nfs/dbraw/zinc/66/77/23/1046667723.db2.gz ANMZGVGBEZFMLN-UZLBHIALSA-N 1 0 335.407 4.190 20 30 EIEDRO N#Cc1cc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)ccc1F ZINC000459522161 1046752961 /nfs/dbraw/zinc/75/29/61/1046752961.db2.gz GCMVRDBNZVNZOF-FQEVSTJZSA-N 1 0 338.426 4.081 20 30 EIEDRO Cc1ccccc1[C@@H]([C@H](C)Nc1nc(Cl)c(C#N)s1)[NH+](C)C ZINC000804847005 1046813568 /nfs/dbraw/zinc/81/35/68/1046813568.db2.gz DDMOYVMJNQNVLJ-SMDDNHRTSA-N 1 0 334.876 4.080 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000536844112 1046817995 /nfs/dbraw/zinc/81/79/95/1046817995.db2.gz FXOYQIPGYXSBJC-SQWLQELKSA-N 1 0 329.406 4.047 20 30 EIEDRO CCCCCCCCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001130122448 1046868319 /nfs/dbraw/zinc/86/83/19/1046868319.db2.gz NZPORFUGQOGEAS-RTWAWAEBSA-N 1 0 342.527 4.470 20 30 EIEDRO CC(C)CCC[C@@H](C)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001170064338 1046869391 /nfs/dbraw/zinc/86/93/91/1046869391.db2.gz NCAZVSPGQUTGKR-LJQANCHMSA-N 1 0 327.516 4.349 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](COC)c2ccc(Cl)cc2)cc1 ZINC000786958753 1046883789 /nfs/dbraw/zinc/88/37/89/1046883789.db2.gz NLLVXEJNFLFVSX-FOIQADDNSA-N 1 0 343.854 4.390 20 30 EIEDRO C=CCCC[C@H](C)[NH+]1CCN(CCOc2ccccc2Cl)CC1 ZINC000536995013 1046889315 /nfs/dbraw/zinc/88/93/15/1046889315.db2.gz ILPSAKDOPYEZGG-KRWDZBQOSA-N 1 0 336.907 4.081 20 30 EIEDRO COc1ccc(C[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001170481335 1046895042 /nfs/dbraw/zinc/89/50/42/1046895042.db2.gz SBPWDHHQOMQVBH-FQEVSTJZSA-N 1 0 337.438 4.141 20 30 EIEDRO COCCSc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)cc1 ZINC000537104496 1046934495 /nfs/dbraw/zinc/93/44/95/1046934495.db2.gz CUZRFSJGOLOHAB-AWEZNQCLSA-N 1 0 344.455 4.287 20 30 EIEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl ZINC000537087656 1046936688 /nfs/dbraw/zinc/93/66/88/1046936688.db2.gz BQUDOYWKGPJYQA-LJQANCHMSA-N 1 0 341.842 4.137 20 30 EIEDRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000537161208 1047011376 /nfs/dbraw/zinc/01/13/76/1047011376.db2.gz BHJRQDPOIIZXDD-KBPBESRZSA-N 1 0 347.528 4.241 20 30 EIEDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)(C)C ZINC000537289778 1047069393 /nfs/dbraw/zinc/06/93/93/1047069393.db2.gz DCGFUWCWMOBTOT-WMLDXEAASA-N 1 0 347.528 4.434 20 30 EIEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537292268 1047075849 /nfs/dbraw/zinc/07/58/49/1047075849.db2.gz HHZJJYBZEUGQDK-UWJYYQICSA-N 1 0 339.527 4.327 20 30 EIEDRO C#CCCCCCC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001130459208 1047077702 /nfs/dbraw/zinc/07/77/02/1047077702.db2.gz ZXJWJQBFBJWEJX-UHFFFAOYSA-N 1 0 344.524 4.397 20 30 EIEDRO C[C@H]([NH2+]CC(C)(C)N1CCc2ccccc2C1)c1cccc(C#N)c1 ZINC000537296622 1047080066 /nfs/dbraw/zinc/08/00/66/1047080066.db2.gz WAQZNSRRRBFGLE-KRWDZBQOSA-N 1 0 333.479 4.046 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccc(Cl)cc2)cc1 ZINC000806175812 1047163885 /nfs/dbraw/zinc/16/38/85/1047163885.db2.gz FUKZSQXWVURNAQ-FOIQADDNSA-N 1 0 343.854 4.126 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(C#N)c(F)c1 ZINC000537405639 1047199855 /nfs/dbraw/zinc/19/98/55/1047199855.db2.gz RNPIOOSJOVIROK-LLVKDONJSA-N 1 0 333.204 4.311 20 30 EIEDRO C[C@H]([NH2+]CCCCOCc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000537407601 1047202899 /nfs/dbraw/zinc/20/28/99/1047202899.db2.gz RNRZOGXMIDYRHB-INIZCTEOSA-N 1 0 326.415 4.345 20 30 EIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCc2ccc(Cl)nc21)C(C)C ZINC000788520421 1047214143 /nfs/dbraw/zinc/21/41/43/1047214143.db2.gz QWEDNFBJLNQPBC-IAGOWNOFSA-N 1 0 333.907 4.011 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)c1 ZINC000788644251 1047258757 /nfs/dbraw/zinc/25/87/57/1047258757.db2.gz MIWSVMAEIZXHNZ-WBVHZDCISA-N 1 0 341.842 4.193 20 30 EIEDRO Cc1cc(C)c([C@@H](C)[NH2+]CCSCc2ccccc2C#N)c(O)c1 ZINC000788653760 1047264456 /nfs/dbraw/zinc/26/44/56/1047264456.db2.gz YELMCOKCSMDRBP-MRXNPFEDSA-N 1 0 340.492 4.465 20 30 EIEDRO C=CCN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C(C)C ZINC000918052794 1047294567 /nfs/dbraw/zinc/29/45/67/1047294567.db2.gz RFGLSNWRIPZDQC-UHFFFAOYSA-N 1 0 329.488 4.143 20 30 EIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(OCC#N)cc1 ZINC000788987355 1047343546 /nfs/dbraw/zinc/34/35/46/1047343546.db2.gz LDYHGBZAKFLECH-FQEVSTJZSA-N 1 0 336.435 4.110 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccc[nH]1 ZINC000760444091 1047371967 /nfs/dbraw/zinc/37/19/67/1047371967.db2.gz FBRADURPJWLDJD-INIZCTEOSA-N 1 0 331.419 4.316 20 30 EIEDRO CCOc1cccc(/C=N\C2CC[NH+](C3CCCCC3)CC2)c1O ZINC000746815366 1047424784 /nfs/dbraw/zinc/42/47/84/1047424784.db2.gz HXYWBKORAGXONK-QNGOZBTKSA-N 1 0 330.472 4.007 20 30 EIEDRO COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000556060868 1047426274 /nfs/dbraw/zinc/42/62/74/1047426274.db2.gz NTFRCIAOYJOTAR-TXPKVOOTSA-N 1 0 328.456 4.111 20 30 EIEDRO CC[C@H]([NH2+][C@@H](CCC(=O)OC)c1ccccc1)c1ccc(C#N)cc1 ZINC000556078428 1047436786 /nfs/dbraw/zinc/43/67/86/1047436786.db2.gz LQMPEVQAWZEYCD-PMACEKPBSA-N 1 0 336.435 4.293 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1 ZINC000154750261 1047501834 /nfs/dbraw/zinc/50/18/34/1047501834.db2.gz GGDLLKGBESJIPO-OAQYLSRUSA-N 1 0 348.471 4.356 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2cncs2)cc1OC ZINC000897930139 1047508814 /nfs/dbraw/zinc/50/88/14/1047508814.db2.gz JIQRPHBODMOBAX-NSHDSACASA-N 1 0 338.860 4.221 20 30 EIEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000556220882 1047596767 /nfs/dbraw/zinc/59/67/67/1047596767.db2.gz CONLQHNROBNBRA-JTDSTZFVSA-N 1 0 332.463 4.212 20 30 EIEDRO N#Cc1cccc([C@@H](O)C[N@@H+]2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC001168285546 1047606418 /nfs/dbraw/zinc/60/64/18/1047606418.db2.gz UZQHWNYZFKQALX-REWPJTCUSA-N 1 0 348.490 4.327 20 30 EIEDRO C=CC1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000532966084 1047607338 /nfs/dbraw/zinc/60/73/38/1047607338.db2.gz ZVWCLQHUSJDDDP-UHFFFAOYSA-N 1 0 327.255 4.220 20 30 EIEDRO C=C[C@H](CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000533919627 1047694083 /nfs/dbraw/zinc/69/40/83/1047694083.db2.gz SGWCZGGVRZPUKD-NNMXDRDESA-N 1 0 348.490 4.298 20 30 EIEDRO N#Cc1ccc(F)c(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000107897893 1047769694 /nfs/dbraw/zinc/76/96/94/1047769694.db2.gz NFRSMOFWFLVWJD-UHFFFAOYSA-N 1 0 344.817 4.146 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCC[C@@H]3Cc3ccccc3)n2c1 ZINC000556594694 1047833735 /nfs/dbraw/zinc/83/37/35/1047833735.db2.gz GLTVDPKDMKMPPS-TZIWHRDSSA-N 1 0 344.462 4.097 20 30 EIEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C1(c2ccccc2)CCCC1 ZINC000556603329 1047838876 /nfs/dbraw/zinc/83/88/76/1047838876.db2.gz HXFGFTRZGJSHTM-KRWDZBQOSA-N 1 0 344.462 4.196 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000556610150 1047840167 /nfs/dbraw/zinc/84/01/67/1047840167.db2.gz QXCRNGVXUZOZBN-AWEZNQCLSA-N 1 0 345.446 4.128 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)cc1 ZINC000825045602 1048023579 /nfs/dbraw/zinc/02/35/79/1048023579.db2.gz HYNSGHNJNMQAHH-KRWDZBQOSA-N 1 0 345.364 4.283 20 30 EIEDRO CN(CCC#N)c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000825104518 1048026826 /nfs/dbraw/zinc/02/68/26/1048026826.db2.gz YUXRNRIOLRSJNO-HXUWFJFHSA-N 1 0 335.451 4.357 20 30 EIEDRO N#CCc1ccc(C[NH+]2CCC(Cc3cccc(F)c3F)CC2)cc1 ZINC001171077238 1048053582 /nfs/dbraw/zinc/05/35/82/1048053582.db2.gz AYTXFMGYCDHXCI-UHFFFAOYSA-N 1 0 340.417 4.486 20 30 EIEDRO N#CCCOc1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1 ZINC001170752374 1048071124 /nfs/dbraw/zinc/07/11/24/1048071124.db2.gz PPZXFDDGKCZQSI-NRFANRHFSA-N 1 0 349.478 4.098 20 30 EIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000808762763 1048089252 /nfs/dbraw/zinc/08/92/52/1048089252.db2.gz CEYGURSUAXYAFI-ZDUSSCGKSA-N 1 0 333.229 4.433 20 30 EIEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccc(N2CCCOC2=O)cc1 ZINC000814655745 1048104466 /nfs/dbraw/zinc/10/44/66/1048104466.db2.gz WQINAFSAVYLEIN-HNNXBMFYSA-N 1 0 329.444 4.014 20 30 EIEDRO N#CCCC[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)c1ccccc1 ZINC000814658853 1048105036 /nfs/dbraw/zinc/10/50/36/1048105036.db2.gz HMUPZCAWMDZGRP-HXUWFJFHSA-N 1 0 341.499 4.240 20 30 EIEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccc(N2CCCOC2=O)cc1 ZINC000814659856 1048106077 /nfs/dbraw/zinc/10/60/77/1048106077.db2.gz BJSVFELHJOYVLR-INIZCTEOSA-N 1 0 343.471 4.404 20 30 EIEDRO O[C@H](c1ccccc1)[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000808788736 1048109737 /nfs/dbraw/zinc/10/97/37/1048109737.db2.gz RZTAAKZUUWNGQE-XZOQPEGZSA-N 1 0 345.417 4.242 20 30 EIEDRO C=CCN(Cc1cccs1)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000499052153 1048124907 /nfs/dbraw/zinc/12/49/07/1048124907.db2.gz AFSRRANDABQTSC-JKSUJKDBSA-N 1 0 340.492 4.102 20 30 EIEDRO N#Cc1cccc(Cl)c1C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001143722892 1048174729 /nfs/dbraw/zinc/17/47/29/1048174729.db2.gz KQFDZSQNHYAFGJ-IMFGXOCKSA-N 1 0 344.886 4.239 20 30 EIEDRO N#Cc1cccc(Cl)c1CN1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001143724038 1048175620 /nfs/dbraw/zinc/17/56/20/1048175620.db2.gz UVMGNPJSKQJPDP-KRWDZBQOSA-N 1 0 331.891 4.052 20 30 EIEDRO C=CCOCc1cccc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1 ZINC001171099319 1048184020 /nfs/dbraw/zinc/18/40/20/1048184020.db2.gz MMUDJRQCWBJFLR-QGZVFWFLSA-N 1 0 332.447 4.149 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000556911824 1048186393 /nfs/dbraw/zinc/18/63/93/1048186393.db2.gz PSSYFNFDCMAETB-HNNXBMFYSA-N 1 0 326.396 4.319 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)cc1Cl ZINC000619748469 1048213714 /nfs/dbraw/zinc/21/37/14/1048213714.db2.gz GCPOIJZTAGUNQP-UHFFFAOYSA-N 1 0 329.812 4.218 20 30 EIEDRO CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000556960565 1048322348 /nfs/dbraw/zinc/32/23/48/1048322348.db2.gz VPQMPDXSRYZNNF-VQTJNVASSA-N 1 0 348.494 4.474 20 30 EIEDRO C=CC[C@@H](C)C(=O)Nc1ccc2c(c1)CC[C@@H]([NH+]1CCCC1)CC2 ZINC001144020166 1048368920 /nfs/dbraw/zinc/36/89/20/1048368920.db2.gz BEHQKCASFZZWMB-UZLBHIALSA-N 1 0 326.484 4.181 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)cc1 ZINC000809625175 1048442004 /nfs/dbraw/zinc/44/20/04/1048442004.db2.gz YTKPVYHEWQQXOF-KPZWWZAWSA-N 1 0 334.246 4.186 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2OC)cc1 ZINC000809652984 1048454101 /nfs/dbraw/zinc/45/41/01/1048454101.db2.gz OEEGQXQUKIBWKD-CYBMUJFWSA-N 1 0 344.252 4.290 20 30 EIEDRO C#Cc1ccc(C[NH2+][C@H]2CCOc3c(Br)cccc32)cc1 ZINC000809661325 1048466895 /nfs/dbraw/zinc/46/68/95/1048466895.db2.gz ANYPFFXWYAPBEA-KRWDZBQOSA-N 1 0 342.236 4.044 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(Cc3c(F)cccc3Cl)CC2)nc1 ZINC001144163067 1048472754 /nfs/dbraw/zinc/47/27/54/1048472754.db2.gz KRYUGLPASMRPBH-UHFFFAOYSA-N 1 0 343.833 4.200 20 30 EIEDRO N#CCOc1ccc(Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC001212613494 1048476728 /nfs/dbraw/zinc/47/67/28/1048476728.db2.gz WTEPXERNZWVAMC-UHFFFAOYSA-N 1 0 335.451 4.361 20 30 EIEDRO CC(C)[N@@H+](Cc1ccc(C#N)cn1)C[C@H](O)c1ccc2ccccc2c1 ZINC001144166802 1048479605 /nfs/dbraw/zinc/47/96/05/1048479605.db2.gz WSWSNRKQHGIAJZ-QFIPXVFZSA-N 1 0 345.446 4.050 20 30 EIEDRO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815636363 1048564620 /nfs/dbraw/zinc/56/46/20/1048564620.db2.gz TYQFOECZRIAVBN-KSSFIOAISA-N 1 0 338.411 4.263 20 30 EIEDRO C=CCc1c(Cl)ncnc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171164579 1048603717 /nfs/dbraw/zinc/60/37/17/1048603717.db2.gz JEXYQGJONRKFAG-ZDUSSCGKSA-N 1 0 340.858 4.001 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000810128156 1048638282 /nfs/dbraw/zinc/63/82/82/1048638282.db2.gz DFJZEQDURCIDCL-DLBZAZTESA-N 1 0 347.462 4.487 20 30 EIEDRO Cc1[nH]c2ncc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc2c1C ZINC001171181765 1048663283 /nfs/dbraw/zinc/66/32/83/1048663283.db2.gz BTSUAAQMDBSWCS-UHFFFAOYSA-N 1 0 330.391 4.076 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)cc1C(F)(F)F ZINC001171184610 1048675390 /nfs/dbraw/zinc/67/53/90/1048675390.db2.gz NLRQEOPDRFKFCT-ZDUSSCGKSA-N 1 0 348.368 4.306 20 30 EIEDRO Cc1cc2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc2cn1 ZINC001171186051 1048684062 /nfs/dbraw/zinc/68/40/62/1048684062.db2.gz NNPMIGKLDAXLQM-UHFFFAOYSA-N 1 0 327.387 4.439 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC001171189707 1048687641 /nfs/dbraw/zinc/68/76/41/1048687641.db2.gz JXKANONBIOASEG-VGOFRKELSA-N 1 0 334.463 4.247 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](CCO)c1cccc2ccccc21 ZINC001171190320 1048693222 /nfs/dbraw/zinc/69/32/22/1048693222.db2.gz RZHRDRRUUMPXAI-GAJHUEQPSA-N 1 0 344.458 4.356 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000810225703 1048693845 /nfs/dbraw/zinc/69/38/45/1048693845.db2.gz KKOWDROQCCUNQI-NQIIRXRSSA-N 1 0 331.419 4.016 20 30 EIEDRO Cc1ccc(Cl)c(CC[NH2+][C@@H](C)Cc2cccc(C#N)c2)c1F ZINC001171195442 1048701570 /nfs/dbraw/zinc/70/15/70/1048701570.db2.gz SUHCEZKTSKCCKJ-AWEZNQCLSA-N 1 0 330.834 4.423 20 30 EIEDRO COc1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)ccc1OC(C)C ZINC000810208585 1048704862 /nfs/dbraw/zinc/70/48/62/1048704862.db2.gz CPJCFHFPZUNOEV-IBGZPJMESA-N 1 0 336.435 4.131 20 30 EIEDRO COc1ccc(CC2(C[NH2+][C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171198306 1048721918 /nfs/dbraw/zinc/72/19/18/1048721918.db2.gz JSSZPAAMDYQRRY-QGZVFWFLSA-N 1 0 334.463 4.110 20 30 EIEDRO COc1cccc(CC2(C[NH2+][C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171198833 1048728087 /nfs/dbraw/zinc/72/80/87/1048728087.db2.gz RBCIFXDTSBHPJD-KRWDZBQOSA-N 1 0 334.463 4.110 20 30 EIEDRO COc1ccccc1CC(C)(C)C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171198714 1048728724 /nfs/dbraw/zinc/72/87/24/1048728724.db2.gz OKCBQRCHMWJYFE-QGZVFWFLSA-N 1 0 336.479 4.356 20 30 EIEDRO C[N@@H+](Cc1ccc(C(C)(C)C)s1)C[C@H](O)c1cccc(C#N)c1 ZINC000846007082 1048786366 /nfs/dbraw/zinc/78/63/66/1048786366.db2.gz MXMVPZLAUSHLLE-KRWDZBQOSA-N 1 0 328.481 4.083 20 30 EIEDRO C#CCCCCCC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000816456290 1048805466 /nfs/dbraw/zinc/80/54/66/1048805466.db2.gz FGHIMHLKYKDOPX-ICSRJNTNSA-N 1 0 327.468 4.024 20 30 EIEDRO CC1CC[NH+]([C@H](C/N=C\c2ccccc2O)c2cccs2)CC1 ZINC000920943969 1048817036 /nfs/dbraw/zinc/81/70/36/1048817036.db2.gz MREQIQAISVJQEL-VJOZSWGJSA-N 1 0 328.481 4.346 20 30 EIEDRO C#CCn1ccc(C[N@H+](CC)CC(c2ccccc2)c2ccccc2)n1 ZINC000816593899 1048832018 /nfs/dbraw/zinc/83/20/18/1048832018.db2.gz IJWUQKRCLVFKBM-UHFFFAOYSA-N 1 0 343.474 4.170 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001171220763 1048854992 /nfs/dbraw/zinc/85/49/92/1048854992.db2.gz BTJYONTUVQYYBD-GOSISDBHSA-N 1 0 343.474 4.316 20 30 EIEDRO C=CCCCCCCCCC(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001144799051 1048859929 /nfs/dbraw/zinc/85/99/29/1048859929.db2.gz UHFVXWZATHHITG-FQEVSTJZSA-N 1 0 328.500 4.205 20 30 EIEDRO CCCCCCCC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000772948713 1048885763 /nfs/dbraw/zinc/88/57/63/1048885763.db2.gz KIJGKXKKWPPADB-HNNXBMFYSA-N 1 0 326.506 4.069 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)c2c(C)onc2CC)cc(OC)c1OC ZINC000772956690 1048922452 /nfs/dbraw/zinc/92/24/52/1048922452.db2.gz WTCRVIGFIIJYLP-ZDUSSCGKSA-N 1 0 344.455 4.142 20 30 EIEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](c1ccc(CCCC)cc1)C(C)C ZINC001135877758 1048938804 /nfs/dbraw/zinc/93/88/04/1048938804.db2.gz PACMDUDNAJILSL-FQEVSTJZSA-N 1 0 330.516 4.350 20 30 EIEDRO C=C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)c1ccccc1 ZINC001132619145 1048952921 /nfs/dbraw/zinc/95/29/21/1048952921.db2.gz NCXYOIDHNPNDLZ-WIYYLYMNSA-N 1 0 340.511 4.260 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(OCC#N)cc1 ZINC000772960740 1048998786 /nfs/dbraw/zinc/99/87/86/1048998786.db2.gz VQCHAFIPQBWXIL-BBTUJRGHSA-N 1 0 349.478 4.075 20 30 EIEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001171276256 1049016659 /nfs/dbraw/zinc/01/66/59/1049016659.db2.gz JOGKVLZIAAMOGL-GOSISDBHSA-N 1 0 335.407 4.235 20 30 EIEDRO CO/C=C/c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001171276540 1049019534 /nfs/dbraw/zinc/01/95/34/1049019534.db2.gz AOXQJOBEOHRQAC-LFIBNONCSA-N 1 0 347.462 4.274 20 30 EIEDRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000811482484 1049080624 /nfs/dbraw/zinc/08/06/24/1049080624.db2.gz YAFLPLPVWAFHME-YJBOKZPZSA-N 1 0 345.487 4.148 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000811491820 1049087213 /nfs/dbraw/zinc/08/72/13/1049087213.db2.gz RGFJKZSUXPACFJ-CYBMUJFWSA-N 1 0 347.384 4.494 20 30 EIEDRO CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000811473385 1049093786 /nfs/dbraw/zinc/09/37/86/1049093786.db2.gz XLQBGCLAOJUEMP-MAUKXSAKSA-N 1 0 345.487 4.148 20 30 EIEDRO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135251232 1049094310 /nfs/dbraw/zinc/09/43/10/1049094310.db2.gz DJNCKIJJILDONK-OAQYLSRUSA-N 1 0 334.463 4.370 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c(C(F)(F)F)c1 ZINC000811502436 1049112357 /nfs/dbraw/zinc/11/23/57/1049112357.db2.gz UFJNGEBTUOCKQW-MRXNPFEDSA-N 1 0 346.352 4.060 20 30 EIEDRO COc1ccc(C[NH2+]C(C)(C)c2cc(Cl)ccc2OC)cc1C#N ZINC000818231708 1049116350 /nfs/dbraw/zinc/11/63/50/1049116350.db2.gz SYPLGZZVTNFLAP-UHFFFAOYSA-N 1 0 344.842 4.254 20 30 EIEDRO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818231584 1049117643 /nfs/dbraw/zinc/11/76/43/1049117643.db2.gz YILUUUMTPHPEGE-JKSUJKDBSA-N 1 0 342.874 4.233 20 30 EIEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000135345689 1049124868 /nfs/dbraw/zinc/12/48/68/1049124868.db2.gz WRAYENQMRQUXJY-NVXWUHKLSA-N 1 0 345.512 4.141 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)c(Cl)c1 ZINC000818335712 1049131487 /nfs/dbraw/zinc/13/14/87/1049131487.db2.gz ZLSGVAQKWHQORH-LBPRGKRZSA-N 1 0 330.815 4.080 20 30 EIEDRO C=CC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC1CCCCC1 ZINC000609564485 1049152358 /nfs/dbraw/zinc/15/23/58/1049152358.db2.gz ZDQQFTXIDVGMMC-UHFFFAOYSA-N 1 0 346.427 4.030 20 30 EIEDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001171309501 1049165483 /nfs/dbraw/zinc/16/54/83/1049165483.db2.gz YLWPPPPCVMCAQJ-OAQYLSRUSA-N 1 0 338.426 4.173 20 30 EIEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170908116 1049173643 /nfs/dbraw/zinc/17/36/43/1049173643.db2.gz LVJLSWNYKCPOQU-QGZVFWFLSA-N 1 0 349.865 4.398 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000772983851 1049215285 /nfs/dbraw/zinc/21/52/85/1049215285.db2.gz LLPUJGMMFVMBGG-RBBKRZOGSA-N 1 0 334.463 4.478 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCC[C@@H]2C(C)C)ccc1OC ZINC000772983905 1049215944 /nfs/dbraw/zinc/21/59/44/1049215944.db2.gz ASWZIVWSNOMVDM-KURKYZTESA-N 1 0 330.472 4.290 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000772986910 1049281701 /nfs/dbraw/zinc/28/17/01/1049281701.db2.gz FSLYBTHVXKHQHH-CQSZACIVSA-N 1 0 329.440 4.410 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000772988623 1049285765 /nfs/dbraw/zinc/28/57/65/1049285765.db2.gz SGOMHUHEYAMJKK-SFHVURJKSA-N 1 0 341.838 4.356 20 30 EIEDRO N#CCCC[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)c1ccccc1 ZINC000819329232 1049298335 /nfs/dbraw/zinc/29/83/35/1049298335.db2.gz HVPJHDXORSJCAO-OALUTQOASA-N 1 0 330.378 4.023 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000819362947 1049310318 /nfs/dbraw/zinc/31/03/18/1049310318.db2.gz ZNEGYKJEDNFNOT-YSIASYRMSA-N 1 0 340.854 4.171 20 30 EIEDRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000819370853 1049310413 /nfs/dbraw/zinc/31/04/13/1049310413.db2.gz WQQIFQDSPAUPKG-AEMJNJESSA-N 1 0 334.463 4.154 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001136222900 1049313510 /nfs/dbraw/zinc/31/35/10/1049313510.db2.gz ZOAFXBSTKODUKW-UTKZUKDTSA-N 1 0 328.500 4.137 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccco2)cc1OCCCC#N ZINC000064613648 1049367741 /nfs/dbraw/zinc/36/77/41/1049367741.db2.gz IGNFVLBQERICEA-INIZCTEOSA-N 1 0 342.439 4.082 20 30 EIEDRO COc1cc([C@H](C)[NH2+]CC(C)(C)CCC#N)ccc1OC(F)F ZINC000348216536 1049484569 /nfs/dbraw/zinc/48/45/69/1049484569.db2.gz ONHDMCUDTJABND-LBPRGKRZSA-N 1 0 326.387 4.277 20 30 EIEDRO C=C(C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)c1ccccc1 ZINC000812719304 1049549292 /nfs/dbraw/zinc/54/92/92/1049549292.db2.gz XGONNHCOVAKPOE-QFBILLFUSA-N 1 0 344.499 4.325 20 30 EIEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000812744095 1049561674 /nfs/dbraw/zinc/56/16/74/1049561674.db2.gz ZKYPGFSAMCNNGN-AEFFLSMTSA-N 1 0 329.488 4.392 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)cc1C#N ZINC000773083537 1049569623 /nfs/dbraw/zinc/56/96/23/1049569623.db2.gz LPIMMKBTBVSHSI-LBPRGKRZSA-N 1 0 343.496 4.480 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCc2ccccn2)cc1 ZINC000773081298 1049571158 /nfs/dbraw/zinc/57/11/58/1049571158.db2.gz MDDLZYXNVJVSKH-MRXNPFEDSA-N 1 0 330.859 4.496 20 30 EIEDRO C=C1CCC(C(=O)Nc2ccc(C[NH+](C)C)c(C(F)(F)F)c2)CC1 ZINC001133440839 1049573006 /nfs/dbraw/zinc/57/30/06/1049573006.db2.gz BELOKZHKWZQOLQ-UHFFFAOYSA-N 1 0 340.389 4.452 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](CCOC)Cc1cccc(F)c1)c1ccccc1 ZINC000773115762 1049587298 /nfs/dbraw/zinc/58/72/98/1049587298.db2.gz OVPLKYFBIOCGME-LEWJYISDSA-N 1 0 325.427 4.128 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)/C=C\c2ccc(Br)cc2)c1 ZINC000821017539 1049588495 /nfs/dbraw/zinc/58/84/95/1049588495.db2.gz JGQCLMDFCJODEG-FLIBITNWSA-N 1 0 344.252 4.407 20 30 EIEDRO C#C[C@H](N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000812793272 1049591066 /nfs/dbraw/zinc/59/10/66/1049591066.db2.gz RJMUFUKHLZRMLV-ZNLUXHQJSA-N 1 0 336.454 4.000 20 30 EIEDRO Cc1ccc(F)cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC001171400275 1049621647 /nfs/dbraw/zinc/62/16/47/1049621647.db2.gz VRIVPKXRPXZKAV-HNNXBMFYSA-N 1 0 339.414 4.027 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCc2ccc(C(F)(F)F)cc2)cc1 ZINC000237572111 1049627247 /nfs/dbraw/zinc/62/72/47/1049627247.db2.gz VHBVTQBFQTYNJG-CQSZACIVSA-N 1 0 348.368 4.329 20 30 EIEDRO Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)c21 ZINC000237594053 1049638123 /nfs/dbraw/zinc/63/81/23/1049638123.db2.gz XDODBSLHTVUKHP-MRXNPFEDSA-N 1 0 333.435 4.100 20 30 EIEDRO Cc1ccc2c(CC[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)c[nH]c2c1 ZINC000237593953 1049638140 /nfs/dbraw/zinc/63/81/40/1049638140.db2.gz QWAQXBMPLBTLJS-MRXNPFEDSA-N 1 0 333.435 4.100 20 30 EIEDRO C[C@@H](Cc1ccc(Br)cc1)[NH2+]Cc1cccc(C#N)c1 ZINC000037000046 1049653863 /nfs/dbraw/zinc/65/38/63/1049653863.db2.gz RBRCHRFUZHBYCU-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@@H]3CCc4c(F)cccc4C3)CC2)cc1 ZINC001171439579 1049692182 /nfs/dbraw/zinc/69/21/82/1049692182.db2.gz BPQQMFXVBQHWCW-HXUWFJFHSA-N 1 0 334.438 4.434 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)c1ccc(C#N)cc1 ZINC001171509294 1049740054 /nfs/dbraw/zinc/74/00/54/1049740054.db2.gz UOVKYTQNBLCMKA-IAQYHMDHSA-N 1 0 330.353 4.184 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171590920 1049752348 /nfs/dbraw/zinc/75/23/48/1049752348.db2.gz SGKGCLJIQCWPMZ-OWCLPIDISA-N 1 0 337.508 4.082 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CC(Cc3ccccc3Cl)C2)cc1 ZINC000813331550 1049753405 /nfs/dbraw/zinc/75/34/05/1049753405.db2.gz LCWWDTZAZHLUMO-OAHLLOKOSA-N 1 0 340.854 4.305 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cscc1C(F)F)C(C)C ZINC001136650030 1049811167 /nfs/dbraw/zinc/81/11/67/1049811167.db2.gz MRVUKKWHBZSTTB-OAHLLOKOSA-N 1 0 342.455 4.114 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC001171846759 1049812645 /nfs/dbraw/zinc/81/26/45/1049812645.db2.gz DOSAOQCLZPPOPA-LBPRGKRZSA-N 1 0 335.245 4.378 20 30 EIEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001171848040 1049813525 /nfs/dbraw/zinc/81/35/25/1049813525.db2.gz WHVAJNNUYIUEKF-LBPRGKRZSA-N 1 0 328.334 4.402 20 30 EIEDRO Cc1sc(NC(=O)C[N@@H+]2CCC(C)(C)CC(C)(C)C2)c(C#N)c1C ZINC001171882219 1049815328 /nfs/dbraw/zinc/81/53/28/1049815328.db2.gz LFLWXUQPMJTUJF-UHFFFAOYSA-N 1 0 347.528 4.323 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(-c3cccc(C)c3)c2)CC1 ZINC001136670762 1049819926 /nfs/dbraw/zinc/81/99/26/1049819926.db2.gz OGGCNKCSIHFHBO-UHFFFAOYSA-N 1 0 334.463 4.042 20 30 EIEDRO C=CCCCCC[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC001171920219 1049820261 /nfs/dbraw/zinc/82/02/61/1049820261.db2.gz CAPLSFSRXQMACC-UHFFFAOYSA-N 1 0 326.362 4.249 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(Cc2ccc(F)cc2)no1 ZINC001171920552 1049820416 /nfs/dbraw/zinc/82/04/16/1049820416.db2.gz IVOIVXYVYUQYGJ-WBVHZDCISA-N 1 0 329.419 4.024 20 30 EIEDRO C=CCC[C@H]([NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)C1CC1 ZINC000813879934 1049830196 /nfs/dbraw/zinc/83/01/96/1049830196.db2.gz SUPHYTQHIHWMCY-IRXDYDNUSA-N 1 0 334.504 4.110 20 30 EIEDRO N#CCC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172079520 1049846025 /nfs/dbraw/zinc/84/60/25/1049846025.db2.gz OSBMESPDORKSFL-MZADTFQBSA-N 1 0 337.511 4.388 20 30 EIEDRO N#CCC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC001172079521 1049846565 /nfs/dbraw/zinc/84/65/65/1049846565.db2.gz OSBMESPDORKSFL-WKCHPHFGSA-N 1 0 337.511 4.388 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000823617261 1049862930 /nfs/dbraw/zinc/86/29/30/1049862930.db2.gz HXBXGPFPPSKUBV-XIKOKIGWSA-N 1 0 332.806 4.077 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC001172301474 1049872944 /nfs/dbraw/zinc/87/29/44/1049872944.db2.gz PISVKVZIIYOYMI-HNNXBMFYSA-N 1 0 333.460 4.403 20 30 EIEDRO COc1cccc(C(F)(F)F)c1C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172302770 1049872980 /nfs/dbraw/zinc/87/29/80/1049872980.db2.gz QLTCOZJOQHOSLZ-CYBMUJFWSA-N 1 0 348.368 4.306 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC001172302005 1049873176 /nfs/dbraw/zinc/87/31/76/1049873176.db2.gz BVZUZKYJEAEQJE-VGOFRKELSA-N 1 0 327.431 4.263 20 30 EIEDRO COc1cccc([C@@H]2CCC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172313565 1049875383 /nfs/dbraw/zinc/87/53/83/1049875383.db2.gz ZRWPWLPFLLBUJY-LAUBAEHRSA-N 1 0 334.463 4.377 20 30 EIEDRO COc1cccc(C[C@H]2CCC[N@@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172312874 1049875521 /nfs/dbraw/zinc/87/55/21/1049875521.db2.gz KZJJNGAPSHZFAH-PGRDOPGGSA-N 1 0 348.490 4.453 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC(=O)c3ccccc32)CC1 ZINC001172313291 1049876004 /nfs/dbraw/zinc/87/60/04/1049876004.db2.gz UCDHCSYFPVPEMQ-QGZVFWFLSA-N 1 0 344.458 4.109 20 30 EIEDRO COC(=O)c1cccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172311911 1049876008 /nfs/dbraw/zinc/87/60/08/1049876008.db2.gz CJNPGTSZKZODCI-HRAATJIYSA-N 1 0 348.446 4.113 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC001172318529 1049876899 /nfs/dbraw/zinc/87/68/99/1049876899.db2.gz GWFDCRUJIUTFAP-SFHVURJKSA-N 1 0 346.474 4.053 20 30 EIEDRO CC(=O)C1(c2ccccc2)CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172320413 1049877663 /nfs/dbraw/zinc/87/76/63/1049877663.db2.gz VFJXQGIHLQFLGZ-GOSISDBHSA-N 1 0 346.474 4.112 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCOc1cccc(Cl)c1 ZINC001172290422 1049880854 /nfs/dbraw/zinc/88/08/54/1049880854.db2.gz PKQYWGZKXZLFMR-OAHLLOKOSA-N 1 0 328.843 4.201 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2csc(C)c2)ccc1OC ZINC000823847295 1049881150 /nfs/dbraw/zinc/88/11/50/1049881150.db2.gz KUYAKZHALVGCOL-INIZCTEOSA-N 1 0 330.453 4.036 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC001172293384 1049881608 /nfs/dbraw/zinc/88/16/08/1049881608.db2.gz WELXRRMRTJLSRS-CQSZACIVSA-N 1 0 332.369 4.340 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CO)c1cc(Cl)cc(Cl)c1 ZINC001172298913 1049882513 /nfs/dbraw/zinc/88/25/13/1049882513.db2.gz DYNLBPJZJVQZKN-SGTLLEGYSA-N 1 0 349.261 4.119 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Oc2ccccn2)cc1 ZINC001172300150 1049882822 /nfs/dbraw/zinc/88/28/22/1049882822.db2.gz RMFMLIHDOPLPID-KRWDZBQOSA-N 1 0 343.430 4.466 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+][C@H]1CCc2c(ccc(=O)n2CC)C1 ZINC001172346204 1049890532 /nfs/dbraw/zinc/89/05/32/1049890532.db2.gz HCGJNNZJTIYUNS-OALUTQOASA-N 1 0 332.532 4.454 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+](CCOC)C1CCN(C(C)=O)CC1 ZINC001172353761 1049893395 /nfs/dbraw/zinc/89/33/95/1049893395.db2.gz BHMLHANXRUGZAV-LJQANCHMSA-N 1 0 340.552 4.085 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001172359289 1049895305 /nfs/dbraw/zinc/89/53/05/1049895305.db2.gz UUXQFYRQQQXAEH-ZWKOTPCHSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@@H](CC)N1CCn2c(COCC3CC3)nnc2C1 ZINC001172358584 1049895696 /nfs/dbraw/zinc/89/56/96/1049895696.db2.gz QKZWYZQTRDKOGW-GOSISDBHSA-N 1 0 348.535 4.159 20 30 EIEDRO CCCCCCC[C@@H](CC)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001172359302 1049895702 /nfs/dbraw/zinc/89/57/02/1049895702.db2.gz VJFUCBOTCPKMFX-CYBMUJFWSA-N 1 0 332.414 4.252 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172477059 1049910594 /nfs/dbraw/zinc/91/05/94/1049910594.db2.gz UKKULAPXIQZLFO-INIZCTEOSA-N 1 0 337.508 4.086 20 30 EIEDRO COc1ccc([C@@H](C[NH2+][C@H](C)CCCC#N)C2(O)CCCCC2)cc1 ZINC001172483072 1049910646 /nfs/dbraw/zinc/91/06/46/1049910646.db2.gz MVZYLRCXMFTBAW-YLJYHZDGSA-N 1 0 344.499 4.146 20 30 EIEDRO COCCS[C@H](C[NH2+][C@H](C)CCCC#N)c1ccc(Cl)cc1 ZINC001172487446 1049911590 /nfs/dbraw/zinc/91/15/90/1049911590.db2.gz BFUWGBKFJQTYBP-RHSMWYFYSA-N 1 0 340.920 4.433 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C[C@H](c1ccc(Cl)cc1Cl)N(C)C ZINC001172485545 1049911723 /nfs/dbraw/zinc/91/17/23/1049911723.db2.gz RCTAIGWJLLYMMK-BLLLJJGKSA-N 1 0 328.287 4.268 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC001172489455 1049920788 /nfs/dbraw/zinc/92/07/88/1049920788.db2.gz SGNAVFDCDQFYQI-AWEZNQCLSA-N 1 0 337.870 4.115 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]CC1(Cc2ccncc2)CCC(F)(F)CC1 ZINC001172488018 1049920862 /nfs/dbraw/zinc/92/08/62/1049920862.db2.gz PNVTYQABQJENIT-MRXNPFEDSA-N 1 0 335.442 4.492 20 30 EIEDRO C[C@H](CCCC#N)[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001172492068 1049921383 /nfs/dbraw/zinc/92/13/83/1049921383.db2.gz PYPIVZBMKOGFMD-HZPDHXFCSA-N 1 0 343.471 4.197 20 30 EIEDRO C[C@H](CCCC#N)[N@@H+]1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001172496314 1049921950 /nfs/dbraw/zinc/92/19/50/1049921950.db2.gz LYFDZOMGWDACOJ-XLIONFOSSA-N 1 0 349.519 4.324 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCC2(CCn3c(-c4ccccc4)cnc32)CC1 ZINC001172495397 1049922238 /nfs/dbraw/zinc/92/22/38/1049922238.db2.gz QFWFXJRQHVPVMV-GOSISDBHSA-N 1 0 348.494 4.370 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001172503036 1049923044 /nfs/dbraw/zinc/92/30/44/1049923044.db2.gz XVBGEZQTQYJZQM-AWEZNQCLSA-N 1 0 331.847 4.137 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCN(CCC(C)(C)O)CC1 ZINC001172503077 1049923498 /nfs/dbraw/zinc/92/34/98/1049923498.db2.gz VWCFUYCDSOVYPI-LJQANCHMSA-N 1 0 326.569 4.294 20 30 EIEDRO CCCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001172503798 1049923965 /nfs/dbraw/zinc/92/39/65/1049923965.db2.gz BGAHNRDGQNLWDH-QWFCFKBJSA-N 1 0 349.519 4.107 20 30 EIEDRO CCCCCCCC[C@@H](CC)[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001172505991 1049924616 /nfs/dbraw/zinc/92/46/16/1049924616.db2.gz YQDBVOBQWACBMB-QGZVFWFLSA-N 1 0 336.520 4.034 20 30 EIEDRO CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001172508529 1049925411 /nfs/dbraw/zinc/92/54/11/1049925411.db2.gz LNRJSNSDSDWTJK-VQTJNVASSA-N 1 0 345.531 4.415 20 30 EIEDRO CCCCCCC[C@@H](CCC)[N@@H+]1[C@H]2COC[C@@H]1C[C@@H](C(=O)OC)C2 ZINC001172510462 1049925845 /nfs/dbraw/zinc/92/58/45/1049925845.db2.gz CJRWBDAXBBSQCL-AKHDSKFASA-N 1 0 339.520 4.168 20 30 EIEDRO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CC[C@H](NC(=O)COC)CC1 ZINC001172508802 1049926129 /nfs/dbraw/zinc/92/61/29/1049926129.db2.gz OMCYJQDPELZQQC-GUDVDZBRSA-N 1 0 340.552 4.179 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)cc1 ZINC000180718378 1049933148 /nfs/dbraw/zinc/93/31/48/1049933148.db2.gz CUJRAYJVWGUTNF-IFXJQAMLSA-N 1 0 325.383 4.012 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172629344 1049953526 /nfs/dbraw/zinc/95/35/26/1049953526.db2.gz YRXWVTVCZFTDJF-MBOZVWFJSA-N 1 0 336.520 4.336 20 30 EIEDRO CCCC[C@H]1C[C@H]([NH2+][C@H](CC)CC#N)CCN1C(=O)OC(C)(C)C ZINC001172640329 1049954089 /nfs/dbraw/zinc/95/40/89/1049954089.db2.gz ZQADYDUPHXESRS-ZACQAIPSSA-N 1 0 337.508 4.227 20 30 EIEDRO CC1(C)CC([N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC(C)(C)O1 ZINC001172658993 1049958442 /nfs/dbraw/zinc/95/84/42/1049958442.db2.gz KDPJQDZAOOHJAK-SFHVURJKSA-N 1 0 342.483 4.138 20 30 EIEDRO C[C@@H]([NH2+]CCOc1ccccc1C#N)c1ccc(-c2ccncc2)cc1 ZINC000180930187 1049966237 /nfs/dbraw/zinc/96/62/37/1049966237.db2.gz UKSXAOKNBHJTGG-QGZVFWFLSA-N 1 0 343.430 4.350 20 30 EIEDRO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1C1CCC2(CCCC2)CC1 ZINC001172728424 1049968327 /nfs/dbraw/zinc/96/83/27/1049968327.db2.gz CQSXCTRKWARBBO-LJQANCHMSA-N 1 0 343.515 4.025 20 30 EIEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000248233507 1050047464 /nfs/dbraw/zinc/04/74/64/1050047464.db2.gz LSZLOPFZICYAQN-HXUWFJFHSA-N 1 0 344.499 4.037 20 30 EIEDRO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248744979 1050076753 /nfs/dbraw/zinc/07/67/53/1050076753.db2.gz FKOQPUFVBKJVSF-NUJGCVRESA-N 1 0 331.891 4.147 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N(C)C)c1ccc(C#N)cc1 ZINC000181401744 1050115988 /nfs/dbraw/zinc/11/59/88/1050115988.db2.gz PZQPGIZMTUKCKC-IFXJQAMLSA-N 1 0 327.859 4.165 20 30 EIEDRO O=C1C=C2C[N@H+](C3CCC(Cc4ccccc4)CC3)CCC2S1 ZINC001172822019 1050164080 /nfs/dbraw/zinc/16/40/80/1050164080.db2.gz OZUSCZATINLGNF-KVZIAJEVSA-N 1 0 327.493 4.062 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000774938219 1050168061 /nfs/dbraw/zinc/16/80/61/1050168061.db2.gz CFAZLEIESBJETR-CQSZACIVSA-N 1 0 346.377 4.279 20 30 EIEDRO CC[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(C#N)c1 ZINC001172904686 1050206900 /nfs/dbraw/zinc/20/69/00/1050206900.db2.gz ZTCMHKNYTNGDSR-TZIWHRDSSA-N 1 0 349.434 4.455 20 30 EIEDRO C#CCOc1ccc(C[NH2+]CCOc2ccc3ccccc3c2)cc1 ZINC001177403814 1050208571 /nfs/dbraw/zinc/20/85/71/1050208571.db2.gz CWBLYQMJTWYIPY-UHFFFAOYSA-N 1 0 331.415 4.020 20 30 EIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCOc1ccc(C#N)cc1 ZINC001172876861 1050216149 /nfs/dbraw/zinc/21/61/49/1050216149.db2.gz DCWCVGJMFHDQHU-CQSZACIVSA-N 1 0 346.883 4.361 20 30 EIEDRO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCOc1ccccc1C#N ZINC001172879059 1050220704 /nfs/dbraw/zinc/22/07/04/1050220704.db2.gz LNSRTXSSICCRQM-CQSZACIVSA-N 1 0 346.883 4.361 20 30 EIEDRO N#Cc1cccnc1NCC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC001177506517 1050231076 /nfs/dbraw/zinc/23/10/76/1050231076.db2.gz PBGYEQRWTLKZOB-ICSRJNTNSA-N 1 0 334.467 4.071 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccco2)cc1)c1cccc(C#N)c1 ZINC000181596502 1050235685 /nfs/dbraw/zinc/23/56/85/1050235685.db2.gz XJIGLYHIPDRNHK-HNNXBMFYSA-N 1 0 345.402 4.254 20 30 EIEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC001177566344 1050254740 /nfs/dbraw/zinc/25/47/40/1050254740.db2.gz SRHBASLUKQPZQJ-KPFFTGBYSA-N 1 0 327.516 4.422 20 30 EIEDRO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172994412 1050265294 /nfs/dbraw/zinc/26/52/94/1050265294.db2.gz UYYHTMSPXBFXLZ-MSOLQXFVSA-N 1 0 347.503 4.099 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc(C)c(OC)c2)cc(OC)c1OC ZINC000774987911 1050267605 /nfs/dbraw/zinc/26/76/05/1050267605.db2.gz CXWFMMCQADZKHB-UHFFFAOYSA-N 1 0 341.451 4.039 20 30 EIEDRO C=C(C[NH2+]Cc1cc(OC)ccc1Br)c1ccccc1 ZINC001177687829 1050279991 /nfs/dbraw/zinc/27/99/91/1050279991.db2.gz JPDBKHICMGBTTM-UHFFFAOYSA-N 1 0 332.241 4.261 20 30 EIEDRO CCCOC1CCC([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001173101057 1050301512 /nfs/dbraw/zinc/30/15/12/1050301512.db2.gz FSXLTCZLSBBCIE-UHFFFAOYSA-N 1 0 325.496 4.488 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC001177874883 1050311145 /nfs/dbraw/zinc/31/11/45/1050311145.db2.gz BBBOJVDZQIYDBR-UHFFFAOYSA-N 1 0 339.483 4.322 20 30 EIEDRO COc1cc(C[NH2+]CC(C)(C)c2ccc(F)cc2Cl)ccc1C#N ZINC001177859710 1050317683 /nfs/dbraw/zinc/31/76/83/1050317683.db2.gz KSWNWMFLHDNASA-UHFFFAOYSA-N 1 0 346.833 4.427 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]CCc1c[nH]c2c1cccc2CC ZINC001177855394 1050317733 /nfs/dbraw/zinc/31/77/33/1050317733.db2.gz UQHCBXXUJRGDML-UHFFFAOYSA-N 1 0 332.447 4.075 20 30 EIEDRO C=CC[C@H]([NH2+]Cc1ccc(OCCC)c(OC)c1)c1ccncc1 ZINC001177886106 1050319978 /nfs/dbraw/zinc/31/99/78/1050319978.db2.gz XSSAWQARLKDLCE-SFHVURJKSA-N 1 0 326.440 4.286 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H](SCC)C2)cc(OC)c1O ZINC001177948671 1050345352 /nfs/dbraw/zinc/34/53/52/1050345352.db2.gz LKWVYQQAOKJEBL-IAGOWNOFSA-N 1 0 335.513 4.283 20 30 EIEDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(OCC#N)cc3)C2)cc1 ZINC000181828220 1050350885 /nfs/dbraw/zinc/35/08/85/1050350885.db2.gz SBVSDFOBSHKZBL-AZUAARDMSA-N 1 0 349.478 4.217 20 30 EIEDRO C=C(C)C(=O)OCC[NH2+][C@H](C)CC(c1ccccc1)c1ccccc1 ZINC001173205851 1050365069 /nfs/dbraw/zinc/36/50/69/1050365069.db2.gz RAQUAIBKOVBSQA-GOSISDBHSA-N 1 0 337.463 4.306 20 30 EIEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1[C@H](CCCC)CC(C)C ZINC001173254944 1050378030 /nfs/dbraw/zinc/37/80/30/1050378030.db2.gz JGJONSOWSQEOLT-MJGOQNOKSA-N 1 0 333.520 4.127 20 30 EIEDRO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[C@@H](CC)C3)C2)CC1 ZINC001173275869 1050390488 /nfs/dbraw/zinc/39/04/88/1050390488.db2.gz WIAJEAUALQMPOO-MSOLQXFVSA-N 1 0 334.504 4.066 20 30 EIEDRO C=CCOc1cccc(C[NH2+]CCOCc2ccc(Cl)cc2)c1 ZINC001178187878 1050400102 /nfs/dbraw/zinc/40/01/02/1050400102.db2.gz ANAACFMVKAGRJH-UHFFFAOYSA-N 1 0 331.843 4.211 20 30 EIEDRO CCCCCCCC[C@H](CCC)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001173310549 1050404271 /nfs/dbraw/zinc/40/42/71/1050404271.db2.gz WSUVNYCQZNJGPR-SFHVURJKSA-N 1 0 331.504 4.410 20 30 EIEDRO C=CCOC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC001173312404 1050406561 /nfs/dbraw/zinc/40/65/61/1050406561.db2.gz YZHNZRYYQPMZLD-ITAUSPCMSA-N 1 0 342.527 4.002 20 30 EIEDRO CCCCCCCCC[C@H](CCC)[NH+]1CCC(NC(N)=O)CC1 ZINC001173284266 1050409741 /nfs/dbraw/zinc/40/97/41/1050409741.db2.gz DRRDHLUQGHZHNA-SFHVURJKSA-N 1 0 325.541 4.429 20 30 EIEDRO CCCCCCCCC[C@@H](CCC)[NH2+]C1CC2(C1)CS(=O)(=O)C2 ZINC001173285158 1050412616 /nfs/dbraw/zinc/41/26/16/1050412616.db2.gz ORYWBHREYXHDBF-QGZVFWFLSA-N 1 0 343.577 4.463 20 30 EIEDRO CCCCCCCCC[C@H](CCC)[NH2+]C1CCN(CCO)CC1 ZINC001173284962 1050413325 /nfs/dbraw/zinc/41/33/25/1050413325.db2.gz MIFOFJGNQHDYQQ-IBGZPJMESA-N 1 0 326.569 4.342 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccc2ccccc2c1)c1ccc(OCC#N)cc1 ZINC000182001177 1050414164 /nfs/dbraw/zinc/41/41/64/1050414164.db2.gz OUHVKYQSZPSPCJ-KRWDZBQOSA-N 1 0 346.430 4.472 20 30 EIEDRO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173324879 1050417103 /nfs/dbraw/zinc/41/71/03/1050417103.db2.gz WVGORHKHWYZUGC-FCCDEINASA-N 1 0 349.519 4.084 20 30 EIEDRO C=CCOC1CCC(n2c3ccc(F)cc3c3c2C[NH2+]CC3)CC1 ZINC001173323516 1050417338 /nfs/dbraw/zinc/41/73/38/1050417338.db2.gz ZZBGCIOMHKGTAE-UHFFFAOYSA-N 1 0 328.431 4.112 20 30 EIEDRO C=CCOC1CCC([NH+]2CCN([C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC001173325414 1050418324 /nfs/dbraw/zinc/41/83/24/1050418324.db2.gz MCMRQXPSZIONDI-MDMXATFFSA-N 1 0 346.490 4.018 20 30 EIEDRO N#CCC1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001173331269 1050419724 /nfs/dbraw/zinc/41/97/24/1050419724.db2.gz AVDCLKXJZGXUBN-UHFFFAOYSA-N 1 0 345.918 4.366 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC001173330812 1050420659 /nfs/dbraw/zinc/42/06/59/1050420659.db2.gz WGJJVUFDCYXKKR-OAAAQFAESA-N 1 0 330.447 4.355 20 30 EIEDRO CC(C)(C)OC(=O)Cc1cccc(C[NH2+]C2CCC(CC#N)CC2)c1 ZINC001173332369 1050422811 /nfs/dbraw/zinc/42/28/11/1050422811.db2.gz LYIQQQUNIPRXER-UHFFFAOYSA-N 1 0 342.483 4.133 20 30 EIEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173334649 1050425099 /nfs/dbraw/zinc/42/50/99/1050425099.db2.gz ZFDFSCBQICWMNH-MNLRITNHSA-N 1 0 339.527 4.349 20 30 EIEDRO COc1ccc(C[C@@H]2CCC[N@@H+](C3CCC(CC#N)CC3)C2)cc1 ZINC001173336535 1050425389 /nfs/dbraw/zinc/42/53/89/1050425389.db2.gz CQOYKNCPQDEXGV-SYYJFZTOSA-N 1 0 326.484 4.422 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)C1 ZINC000618577528 1050426622 /nfs/dbraw/zinc/42/66/22/1050426622.db2.gz KVRDHYXRSOESTQ-YUELXQCFSA-N 1 0 338.282 4.244 20 30 EIEDRO C[C@H]1C[N@@H+](C2CCC(CC#N)CC2)CC[C@@]1(C)c1cccc(O)c1 ZINC001173338614 1050428595 /nfs/dbraw/zinc/42/85/95/1050428595.db2.gz GBAYMIYCDFXRRC-AHKRWKSXSA-N 1 0 326.484 4.464 20 30 EIEDRO C=CCN1CC[C@@]2(CCC[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)C2)C1=O ZINC001173345602 1050434863 /nfs/dbraw/zinc/43/48/63/1050434863.db2.gz TZTXYEOUJYLZHK-DENIHFKCSA-N 1 0 344.543 4.380 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H]2CCC[C@@H]2OCc2ccccc2)CC1 ZINC001173316263 1050439825 /nfs/dbraw/zinc/43/98/25/1050439825.db2.gz ZMBIJBCWGDHFHA-JSRAGOMMSA-N 1 0 329.484 4.228 20 30 EIEDRO CC[N@@H+]1CC[C@@H](N(Cc2cccc(C#N)c2)[C@H](C)c2ccccc2)C1 ZINC001173367240 1050444175 /nfs/dbraw/zinc/44/41/75/1050444175.db2.gz FGYQNZCNWZBONR-XMSQKQJNSA-N 1 0 333.479 4.216 20 30 EIEDRO COc1ccccc1C1(C[NH2+]Cc2c(C)cc(C#N)cc2C)CCC1 ZINC001178449861 1050462114 /nfs/dbraw/zinc/46/21/14/1050462114.db2.gz YGRPRVTVWHIPIS-UHFFFAOYSA-N 1 0 334.463 4.395 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173586111 1050493361 /nfs/dbraw/zinc/49/33/61/1050493361.db2.gz IAUPLJCAQCJHHG-HLVUACMISA-N 1 0 349.519 4.132 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)CC1 ZINC001173588575 1050495144 /nfs/dbraw/zinc/49/51/44/1050495144.db2.gz LEZGSWYLAJZWHX-GPJFCIFZSA-N 1 0 330.447 4.355 20 30 EIEDRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000182126222 1050496700 /nfs/dbraw/zinc/49/67/00/1050496700.db2.gz SFNIVVDZSVPHPT-GFCCVEGCSA-N 1 0 345.493 4.021 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)CC1 ZINC001173595745 1050496828 /nfs/dbraw/zinc/49/68/28/1050496828.db2.gz VHZQZKITQWLYIU-ZGJBTBESSA-N 1 0 338.495 4.498 20 30 EIEDRO CC[C@@]1(C[NH2+]C2CCC(C)(C#N)CC2)CCCN1C(=O)OC(C)(C)C ZINC001173593497 1050496900 /nfs/dbraw/zinc/49/69/00/1050496900.db2.gz QRRALYYMDIJWJM-GQOXECLESA-N 1 0 349.519 4.228 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2CCc3cccc(Br)c3C2)CC1 ZINC001173593546 1050496962 /nfs/dbraw/zinc/49/69/62/1050496962.db2.gz LBDMHCIMRZFKQD-UHFFFAOYSA-N 1 0 333.273 4.280 20 30 EIEDRO CC[N@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173600180 1050500962 /nfs/dbraw/zinc/50/09/62/1050500962.db2.gz WQDJAKOBMDEXRZ-NYLDSWQDSA-N 1 0 325.500 4.055 20 30 EIEDRO COc1ccc2cc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)ccc2c1 ZINC000618741316 1050501358 /nfs/dbraw/zinc/50/13/58/1050501358.db2.gz DTZAIABTZCKMHV-JOCHJYFZSA-N 1 0 328.415 4.497 20 30 EIEDRO CC1(C#N)CCC([N@@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)CC1 ZINC001173601406 1050501485 /nfs/dbraw/zinc/50/14/85/1050501485.db2.gz SJLCEGGHSNRKHA-UHFFFAOYSA-N 1 0 336.414 4.071 20 30 EIEDRO COC(=O)[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)[C@H](c2ccccc2)C1 ZINC001173600685 1050501997 /nfs/dbraw/zinc/50/19/97/1050501997.db2.gz JHNJOBKBELSTBP-GUFYVYCGSA-N 1 0 340.467 4.085 20 30 EIEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(F)ccc1Oc1ccc(SC)cc1 ZINC001178589011 1050502546 /nfs/dbraw/zinc/50/25/46/1050502546.db2.gz AICCFQUGJKBCMF-INIZCTEOSA-N 1 0 347.455 4.367 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000618742191 1050503069 /nfs/dbraw/zinc/50/30/69/1050503069.db2.gz KWNCVAWSXOLTSO-KRWDZBQOSA-N 1 0 332.325 4.234 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173624359 1050511000 /nfs/dbraw/zinc/51/10/00/1050511000.db2.gz WGUJEKYIDUKRGM-SCCNAQOGSA-N 1 0 327.468 4.187 20 30 EIEDRO CCC[N@H+](Cc1ccc(C#N)cc1C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000618778738 1050515551 /nfs/dbraw/zinc/51/55/51/1050515551.db2.gz OECIFCBCQBFFKD-SFHVURJKSA-N 1 0 349.478 4.414 20 30 EIEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CCN1Cc1ccccc1 ZINC000618805551 1050532589 /nfs/dbraw/zinc/53/25/89/1050532589.db2.gz HMUKLJUUKORBQZ-FRGLQRNOSA-N 1 0 345.490 4.188 20 30 EIEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(OC)c(OC)c1 ZINC000618803295 1050533073 /nfs/dbraw/zinc/53/30/73/1050533073.db2.gz SKZIIQWEGIQGRI-OALUTQOASA-N 1 0 336.435 4.304 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccccc1OC(F)F ZINC000618807915 1050535403 /nfs/dbraw/zinc/53/54/03/1050535403.db2.gz YBOUFRMHNMQLTD-PXAZEXFGSA-N 1 0 328.362 4.498 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccccc1OC(F)F ZINC000618807919 1050536571 /nfs/dbraw/zinc/53/65/71/1050536571.db2.gz YBOUFRMHNMQLTD-YVEFUNNKSA-N 1 0 328.362 4.498 20 30 EIEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702137 1050547408 /nfs/dbraw/zinc/54/74/08/1050547408.db2.gz IOXQEHZIZBXIQZ-NHCUHLMSSA-N 1 0 334.463 4.405 20 30 EIEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173706390 1050550484 /nfs/dbraw/zinc/55/04/84/1050550484.db2.gz IOXQEHZIZBXIQZ-LEWJYISDSA-N 1 0 334.463 4.405 20 30 EIEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccc(F)c(Br)c1 ZINC001178782161 1050550533 /nfs/dbraw/zinc/55/05/33/1050550533.db2.gz CPIHZNMSTPIVBK-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO C=CCC(C)(C)C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001178795197 1050555213 /nfs/dbraw/zinc/55/52/13/1050555213.db2.gz IJBFJTGKYLPGLM-UHFFFAOYSA-N 1 0 327.222 4.049 20 30 EIEDRO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000093303296 1050557202 /nfs/dbraw/zinc/55/72/02/1050557202.db2.gz BQFHZQKQFAMALQ-GOSISDBHSA-N 1 0 336.479 4.261 20 30 EIEDRO CC(=O)Oc1ccc(C2CCC([NH2+][C@H]3CC[C@H](C#N)CC3)CC2)cc1 ZINC001173783029 1050569396 /nfs/dbraw/zinc/56/93/96/1050569396.db2.gz QBFHAAZSLRWQCM-MXYYQSCMSA-N 1 0 340.467 4.310 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC001178852775 1050572933 /nfs/dbraw/zinc/57/29/33/1050572933.db2.gz YJBKFUGJZXUIDQ-LMNJBCLMSA-N 1 0 330.516 4.411 20 30 EIEDRO COc1cccc(OC)c1/C=C/C(=O)c1ccc(-n2ccnc2C)cc1 ZINC000182253165 1050577163 /nfs/dbraw/zinc/57/71/63/1050577163.db2.gz VNVFWOQRTMXGDK-VAWYXSNFSA-N 1 0 348.402 4.094 20 30 EIEDRO C=CCOc1cccc(CNc2ccc(OCC[NH+](C)C)c(C)c2)c1 ZINC001178921715 1050590655 /nfs/dbraw/zinc/59/06/55/1050590655.db2.gz FUBUCJHMFWHANZ-UHFFFAOYSA-N 1 0 340.467 4.112 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC001178971438 1050600817 /nfs/dbraw/zinc/60/08/17/1050600817.db2.gz GKDYKDXUAQIQJN-HXUWFJFHSA-N 1 0 346.409 4.255 20 30 EIEDRO C=CCCSCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001179099850 1050625213 /nfs/dbraw/zinc/62/52/13/1050625213.db2.gz HCAIWNAOTMMECD-UHFFFAOYSA-N 1 0 336.501 4.433 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC001179142471 1050631264 /nfs/dbraw/zinc/63/12/64/1050631264.db2.gz IERSQBAVZPJTOR-XJKSGUPXSA-N 1 0 348.288 4.321 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC001179095914 1050633235 /nfs/dbraw/zinc/63/32/35/1050633235.db2.gz QDOWQEPBSXNSQA-HOTGVXAUSA-N 1 0 330.230 4.146 20 30 EIEDRO CC1(C)CCC[C@H](C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)C1 ZINC001179184148 1050639644 /nfs/dbraw/zinc/63/96/44/1050639644.db2.gz UUXXYEFCEVLKSH-SFHVURJKSA-N 1 0 326.484 4.370 20 30 EIEDRO C=CCC1([NH2+]Cc2cc(Br)cnc2Cl)CCCC1 ZINC001179158924 1050644799 /nfs/dbraw/zinc/64/47/99/1050644799.db2.gz CVGGSGSFZCWECB-UHFFFAOYSA-N 1 0 329.669 4.476 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)cc1OC ZINC001179228024 1050655719 /nfs/dbraw/zinc/65/57/19/1050655719.db2.gz BMUAQYLVKAXPBI-CQSZACIVSA-N 1 0 345.817 4.294 20 30 EIEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cccc(Oc2ccc(F)cc2)c1 ZINC001179291674 1050664620 /nfs/dbraw/zinc/66/46/20/1050664620.db2.gz UFWXNPOTMSEENW-SFHVURJKSA-N 1 0 327.399 4.136 20 30 EIEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccccc3C#N)CC2)CC(C)(C)C1 ZINC001179304741 1050666439 /nfs/dbraw/zinc/66/64/39/1050666439.db2.gz RIRUBGGIMVIARA-QFBILLFUSA-N 1 0 325.500 4.331 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)c(C)n1-c1ccccc1 ZINC001179333050 1050678062 /nfs/dbraw/zinc/67/80/62/1050678062.db2.gz OUARGVXUTXYNST-UHFFFAOYSA-N 1 0 333.410 4.395 20 30 EIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(OC(F)F)cc2F)c1 ZINC001179364876 1050682172 /nfs/dbraw/zinc/68/21/72/1050682172.db2.gz DFSHVTAWXHIAFS-UHFFFAOYSA-N 1 0 337.341 4.282 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(SCC)cc2)cc1 ZINC001179447368 1050693519 /nfs/dbraw/zinc/69/35/19/1050693519.db2.gz DOXMQMZOBQNZPO-UHFFFAOYSA-N 1 0 325.477 4.491 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1Cl ZINC001179426460 1050698788 /nfs/dbraw/zinc/69/87/88/1050698788.db2.gz YDALDMKIXTVYQY-SFHVURJKSA-N 1 0 335.875 4.486 20 30 EIEDRO C=C1CCC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC001179542389 1050721494 /nfs/dbraw/zinc/72/14/94/1050721494.db2.gz ZQXZKLKNQPZNHR-UHFFFAOYSA-N 1 0 326.343 4.032 20 30 EIEDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508418 1050797290 /nfs/dbraw/zinc/79/72/90/1050797290.db2.gz PXNVISQKOOVRCA-NHCUHLMSSA-N 1 0 348.446 4.448 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000619508553 1050798044 /nfs/dbraw/zinc/79/80/44/1050798044.db2.gz LBJDMXJHTLVHII-IBGZPJMESA-N 1 0 346.430 4.333 20 30 EIEDRO CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC001179878886 1050815244 /nfs/dbraw/zinc/81/52/44/1050815244.db2.gz UUCWHBLTBPBIAR-QFIPXVFZSA-N 1 0 333.479 4.136 20 30 EIEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001179881669 1050817823 /nfs/dbraw/zinc/81/78/23/1050817823.db2.gz ISDDEHDRUDMAHQ-PXNSSMCTSA-N 1 0 333.479 4.077 20 30 EIEDRO N#Cc1cc(C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)ccn1 ZINC000619622704 1050835494 /nfs/dbraw/zinc/83/54/94/1050835494.db2.gz OAWXNEGHFOGXHB-UHFFFAOYSA-N 1 0 329.806 4.067 20 30 EIEDRO CC(C)[C@H]1c2ccccc2CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000619620795 1050841012 /nfs/dbraw/zinc/84/10/12/1050841012.db2.gz NIWNTLBHLKXZQT-FQEVSTJZSA-N 1 0 326.484 4.342 20 30 EIEDRO COc1cccc(C[N@H+](CCCC2(C#N)CCOCC2)CC(C)C)c1 ZINC000619620278 1050841800 /nfs/dbraw/zinc/84/18/00/1050841800.db2.gz DJUQNBCVBCORHH-UHFFFAOYSA-N 1 0 344.499 4.254 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)CC2 ZINC000619754878 1050884929 /nfs/dbraw/zinc/88/49/29/1050884929.db2.gz NQTADRUITLSQLZ-KRWDZBQOSA-N 1 0 342.826 4.006 20 30 EIEDRO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754955 1050885485 /nfs/dbraw/zinc/88/54/85/1050885485.db2.gz PDKVAYDLDIZEDL-SFHVURJKSA-N 1 0 326.827 4.387 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000619755197 1050885788 /nfs/dbraw/zinc/88/57/88/1050885788.db2.gz CDNVUCLPMCGXMP-KRWDZBQOSA-N 1 0 329.787 4.361 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1Cl ZINC000619748582 1050894748 /nfs/dbraw/zinc/89/47/48/1050894748.db2.gz IZPFWCWEJARUEL-UHFFFAOYSA-N 1 0 326.827 4.290 20 30 EIEDRO Cc1cc(Cl)c2ncc(C#N)c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000619791995 1050917601 /nfs/dbraw/zinc/91/76/01/1050917601.db2.gz NOOIKZHSGHROBS-CABCVRRESA-N 1 0 340.858 4.107 20 30 EIEDRO C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC([N@@H+](C)CC)CC2)c1 ZINC001189268412 1050954154 /nfs/dbraw/zinc/95/41/54/1050954154.db2.gz GGQCGEVQOPDZLK-UHFFFAOYSA-N 1 0 343.515 4.081 20 30 EIEDRO C#CC[N@@H+](Cc1ccc(OCC)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC001180295832 1050959321 /nfs/dbraw/zinc/95/93/21/1050959321.db2.gz AVGWQVWVTLADRZ-HXUWFJFHSA-N 1 0 335.447 4.217 20 30 EIEDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1C#N ZINC001180292952 1050959470 /nfs/dbraw/zinc/95/94/70/1050959470.db2.gz SBVJUZDCVJKPDX-QGZVFWFLSA-N 1 0 326.827 4.210 20 30 EIEDRO Cc1ccccc1[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(C)C ZINC000183208973 1051020114 /nfs/dbraw/zinc/02/01/14/1051020114.db2.gz ARLVODFAMKRWHR-SFHVURJKSA-N 1 0 341.480 4.244 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC001180505208 1051022055 /nfs/dbraw/zinc/02/20/55/1051022055.db2.gz KDIVNFOGJAGDQK-UHFFFAOYSA-N 1 0 341.455 4.476 20 30 EIEDRO Cc1oc(NC(=O)C[NH2+][C@H](c2ccccc2C)C(C)C)c(C#N)c1C ZINC000183214491 1051031186 /nfs/dbraw/zinc/03/11/86/1051031186.db2.gz GHIRHRFDSVLNHN-IBGZPJMESA-N 1 0 339.439 4.002 20 30 EIEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC001174573566 1051059180 /nfs/dbraw/zinc/05/91/80/1051059180.db2.gz FUDFHJWBXVYPJH-OALUTQOASA-N 1 0 326.484 4.391 20 30 EIEDRO CC(C)[C@H]1CN([C@H](C)c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001174572954 1051060549 /nfs/dbraw/zinc/06/05/49/1051060549.db2.gz CABOPWGWDZDQBY-AUSIDOKSSA-N 1 0 347.506 4.462 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1cccc(C#N)c1 ZINC000183337310 1051084789 /nfs/dbraw/zinc/08/47/89/1051084789.db2.gz YRWVWBASEAXJGL-KDOFPFPSSA-N 1 0 325.843 4.141 20 30 EIEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2ccccc2C)c1 ZINC001190304554 1051145105 /nfs/dbraw/zinc/14/51/05/1051145105.db2.gz UIJLPYWINHKKAI-FQEVSTJZSA-N 1 0 334.463 4.042 20 30 EIEDRO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC001174742677 1051159563 /nfs/dbraw/zinc/15/95/63/1051159563.db2.gz PZUCNVWRBXSTCX-KRWDZBQOSA-N 1 0 338.451 4.101 20 30 EIEDRO CCCCCCC[C@H](C)C(=O)NCCSCc1[nH]cnc1C ZINC001181133447 1051161698 /nfs/dbraw/zinc/16/16/98/1051161698.db2.gz SRPQDHOKHBAWLZ-AWEZNQCLSA-N 1 0 325.522 4.064 20 30 EIEDRO CCCCCCC[C@H](C)C(=O)N(Cc1cccc(C[NH3+])c1)C(C)=N ZINC001181134116 1051162266 /nfs/dbraw/zinc/16/22/66/1051162266.db2.gz DEYYJSVOIGROFS-INIZCTEOSA-N 1 0 331.504 4.468 20 30 EIEDRO CC[C@@](C)([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)c1ccccc1 ZINC000775389502 1051191838 /nfs/dbraw/zinc/19/18/38/1051191838.db2.gz GAXAUIFUKHPPLX-LJQANCHMSA-N 1 0 341.480 4.090 20 30 EIEDRO Cc1cc(C#N)cc(Cl)c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001174813816 1051202629 /nfs/dbraw/zinc/20/26/29/1051202629.db2.gz GDUHNWRANATDBT-UHFFFAOYSA-N 1 0 340.858 4.016 20 30 EIEDRO C=CCSCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000780729450 1051203184 /nfs/dbraw/zinc/20/31/84/1051203184.db2.gz XCCUVLVHPNNYNR-IRXDYDNUSA-N 1 0 348.512 4.206 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000775393949 1051204689 /nfs/dbraw/zinc/20/46/89/1051204689.db2.gz CJJJEUKEICFBDH-OALUTQOASA-N 1 0 348.471 4.474 20 30 EIEDRO C#CC[N@@H+](CC/C=C/c1cncc(OC)c1)[C@H]1CCc2ccccc21 ZINC001190529549 1051206536 /nfs/dbraw/zinc/20/65/36/1051206536.db2.gz SQEZGRHFUMKFKJ-IMAOXBOFSA-N 1 0 332.447 4.116 20 30 EIEDRO N#Cc1ccc(C2CC[NH+]([C@H]3CCc4cc(Cl)ccc43)CC2)nc1 ZINC001174871320 1051224827 /nfs/dbraw/zinc/22/48/27/1051224827.db2.gz BINNPVJQQTVCSC-FQEVSTJZSA-N 1 0 337.854 4.474 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12)c1ccccc1 ZINC000775399778 1051235350 /nfs/dbraw/zinc/23/53/50/1051235350.db2.gz UJLYCWIBHMAIMF-HXUWFJFHSA-N 1 0 331.415 4.264 20 30 EIEDRO N#CC1(C[C@@H](O)C[N@H+](CCc2ccccc2F)C2CCCC2)CCC1 ZINC001190635798 1051240479 /nfs/dbraw/zinc/24/04/79/1051240479.db2.gz QATJNLJZOJHTME-LJQANCHMSA-N 1 0 344.474 4.058 20 30 EIEDRO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC001190713222 1051251810 /nfs/dbraw/zinc/25/18/10/1051251810.db2.gz IJNTYPOZLMKRGN-KRWDZBQOSA-N 1 0 349.519 4.182 20 30 EIEDRO C#C[C@H]([NH2+]Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C)C(C)C ZINC001181576196 1051255285 /nfs/dbraw/zinc/25/52/85/1051255285.db2.gz KYQHBHILWGINPZ-SFHVURJKSA-N 1 0 343.902 4.456 20 30 EIEDRO C=C(C[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C)c1ccccc1 ZINC000620756949 1051274845 /nfs/dbraw/zinc/27/48/45/1051274845.db2.gz WUQBMAZDLFOFQD-UHFFFAOYSA-N 1 0 331.463 4.351 20 30 EIEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC001181699147 1051293629 /nfs/dbraw/zinc/29/36/29/1051293629.db2.gz ZQPWLIXAQWNEHK-OAHLLOKOSA-N 1 0 345.368 4.352 20 30 EIEDRO C[N@H+](Cc1ccncc1)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000183742771 1051322953 /nfs/dbraw/zinc/32/29/53/1051322953.db2.gz WZDUTONXEGTIPH-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO C=C(Br)C[N@@H+](CCc1ccc(OC)cc1)CC(C)(C)C ZINC001191013873 1051326613 /nfs/dbraw/zinc/32/66/13/1051326613.db2.gz QPXZSHHFWKBFAN-UHFFFAOYSA-N 1 0 340.305 4.494 20 30 EIEDRO CCCCCCCCNC(=O)N1CCC(C2CC[NH+](C)CC2)CC1 ZINC001191064088 1051337560 /nfs/dbraw/zinc/33/75/60/1051337560.db2.gz PFWKNTTXNPIHKJ-UHFFFAOYSA-N 1 0 337.552 4.110 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCc3ccccc3CC2)c(C(F)(F)F)c1 ZINC001191048051 1051347205 /nfs/dbraw/zinc/34/72/05/1051347205.db2.gz LVYKODAUSYSXNL-UHFFFAOYSA-N 1 0 330.353 4.178 20 30 EIEDRO CCC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001191174618 1051374734 /nfs/dbraw/zinc/37/47/34/1051374734.db2.gz PNPCBGPHYBBVGW-QRVBRYPASA-N 1 0 331.887 4.217 20 30 EIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)c1C ZINC001191214562 1051389789 /nfs/dbraw/zinc/38/97/89/1051389789.db2.gz PVPQSTSYDXOYHU-FCHUYYIVSA-N 1 0 334.463 4.436 20 30 EIEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000774139189 1051460924 /nfs/dbraw/zinc/46/09/24/1051460924.db2.gz OZJAVGYMRDIMBY-JTSKRJEESA-N 1 0 349.478 4.197 20 30 EIEDRO CC[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc(C#N)cc1 ZINC000774195051 1051495251 /nfs/dbraw/zinc/49/52/51/1051495251.db2.gz ZYUFAFYLCYCDNJ-ROUUACIJSA-N 1 0 345.487 4.148 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C#N)cc1 ZINC000774260974 1051531036 /nfs/dbraw/zinc/53/10/36/1051531036.db2.gz UWQGPXPQIXZZOA-QGZVFWFLSA-N 1 0 329.787 4.361 20 30 EIEDRO C[C@@]12CN([C@@H](C#N)c3ccccc3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001175382989 1051562313 /nfs/dbraw/zinc/56/23/13/1051562313.db2.gz YXIXFTCGRZZBET-YTFSRNRJSA-N 1 0 345.490 4.095 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000774446902 1051595685 /nfs/dbraw/zinc/59/56/85/1051595685.db2.gz FBSXHVRRQCZRKV-LBPRGKRZSA-N 1 0 349.261 4.438 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@H](C)c1cc(Cl)c(N)c(Cl)c1 ZINC000774446898 1051596165 /nfs/dbraw/zinc/59/61/65/1051596165.db2.gz FBSXHVRRQCZRKV-GFCCVEGCSA-N 1 0 349.261 4.438 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F ZINC001182508303 1051622529 /nfs/dbraw/zinc/62/25/29/1051622529.db2.gz KSOGTUFBHRNOIE-SSDOTTSWSA-N 1 0 340.158 4.450 20 30 EIEDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC001192108121 1051632529 /nfs/dbraw/zinc/63/25/29/1051632529.db2.gz QYGNWEJQPRWZGM-NRFANRHFSA-N 1 0 349.478 4.230 20 30 EIEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001182532565 1051634444 /nfs/dbraw/zinc/63/44/44/1051634444.db2.gz FWAYMGUPNWTFCQ-IEBWSBKVSA-N 1 0 325.500 4.272 20 30 EIEDRO N#Cc1cc(F)c(F)cc1NC1=CC[N@H+](Cc2ccccc2)CC1 ZINC001175507501 1051638650 /nfs/dbraw/zinc/63/86/50/1051638650.db2.gz XULYRSYZNWBCKO-UHFFFAOYSA-N 1 0 325.362 4.038 20 30 EIEDRO C[N@H+](CCc1cccc(C#N)c1)C[C@H]1CCC2(CCCCCC2)O1 ZINC001175530362 1051652831 /nfs/dbraw/zinc/65/28/31/1051652831.db2.gz CQIQHEUAGFLZAB-HXUWFJFHSA-N 1 0 326.484 4.305 20 30 EIEDRO Cc1sc(NC(=O)C[N@@H+](CC(C)C)CC(C)(C)C)c(C#N)c1C ZINC001192225033 1051671837 /nfs/dbraw/zinc/67/18/37/1051671837.db2.gz WZOTVKJKUZIDCV-UHFFFAOYSA-N 1 0 335.517 4.179 20 30 EIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCC#Cc1ccccc1Cl ZINC001192271068 1051678591 /nfs/dbraw/zinc/67/85/91/1051678591.db2.gz CGSWUGRCSRAIGL-UHFFFAOYSA-N 1 0 340.898 4.192 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCCOc1ccccc1C(N)=O ZINC001182843518 1051713050 /nfs/dbraw/zinc/71/30/50/1051713050.db2.gz DQEPJUIZWGALIS-LMMKCTJWSA-N 1 0 344.499 4.058 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2CCCc2ccccc2)cc1 ZINC001192435222 1051713595 /nfs/dbraw/zinc/71/35/95/1051713595.db2.gz OXODMSKGNZFMQO-PKTZIBPZSA-N 1 0 348.490 4.469 20 30 EIEDRO CC[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc(Cl)ccc1O ZINC000775526509 1051719481 /nfs/dbraw/zinc/71/94/81/1051719481.db2.gz KRXBIWSFVHJMFZ-KRWDZBQOSA-N 1 0 330.815 4.037 20 30 EIEDRO CC(C)[NH+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)C(C)C ZINC001192500470 1051745198 /nfs/dbraw/zinc/74/51/98/1051745198.db2.gz IQQBHTKKIMGHCC-AWEZNQCLSA-N 1 0 347.528 4.192 20 30 EIEDRO Cc1cc([C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c(O)cc1Cl ZINC001183023627 1051772401 /nfs/dbraw/zinc/77/24/01/1051772401.db2.gz IMVUZEVANOLISN-KRWDZBQOSA-N 1 0 325.839 4.195 20 30 EIEDRO C=CCCC[C@H]([NH2+]Cc1cnnn1-c1ccccc1)c1ccccc1 ZINC001175775163 1051779641 /nfs/dbraw/zinc/77/96/41/1051779641.db2.gz OHLVIAYKQLTZJF-NRFANRHFSA-N 1 0 332.451 4.455 20 30 EIEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccccc1OCC(F)(F)F ZINC001192652065 1051780694 /nfs/dbraw/zinc/78/06/94/1051780694.db2.gz AQPFHEGTZNDBKO-UHFFFAOYSA-N 1 0 339.357 4.451 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3ccc(Cl)cc3C#N)cc2)CC1 ZINC001175780760 1051781051 /nfs/dbraw/zinc/78/10/51/1051781051.db2.gz MCIVBROYSAMCBF-UHFFFAOYSA-N 1 0 340.858 4.097 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3c(C#N)oc4ccccc43)cc2)CC1 ZINC001175783370 1051785041 /nfs/dbraw/zinc/78/50/41/1051785041.db2.gz JYIZUOISWIQGIF-UHFFFAOYSA-N 1 0 346.434 4.190 20 30 EIEDRO C=CCC[C@@H]([NH2+]C/C=C/C(=O)OCC)c1ccc(C(F)(F)F)cc1 ZINC001192635735 1051786105 /nfs/dbraw/zinc/78/61/05/1051786105.db2.gz QLZGBVSMWKNISR-IQIBNGDESA-N 1 0 341.373 4.422 20 30 EIEDRO N#Cc1cncc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)c1 ZINC001192672563 1051789369 /nfs/dbraw/zinc/78/93/69/1051789369.db2.gz IGRMTDBCKLNNNI-QFIPXVFZSA-N 1 0 327.431 4.417 20 30 EIEDRO N#Cc1cncc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)c1 ZINC001192698662 1051794012 /nfs/dbraw/zinc/79/40/12/1051794012.db2.gz ITFWWQYYWMLVDB-OAQYLSRUSA-N 1 0 331.394 4.166 20 30 EIEDRO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(CC(F)(F)F)cc1)C2 ZINC001183181873 1051802333 /nfs/dbraw/zinc/80/23/33/1051802333.db2.gz ZDFMRZJGWQXRSB-UHFFFAOYSA-N 1 0 344.380 4.416 20 30 EIEDRO N#CCC[C@@H]([NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775553201 1051829317 /nfs/dbraw/zinc/82/93/17/1051829317.db2.gz MGRCWLPJKCFNQA-QZTJIDSGSA-N 1 0 348.368 4.373 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[NH+](CC(C)(C)C)CC(C)(C)C)cc1 ZINC001192974880 1051848234 /nfs/dbraw/zinc/84/82/34/1051848234.db2.gz BAPCOQGUDJPNHR-UHFFFAOYSA-N 1 0 328.500 4.391 20 30 EIEDRO C#CCC[C@H](O)C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC001183606727 1051865720 /nfs/dbraw/zinc/86/57/20/1051865720.db2.gz MUKHDDPWHPBIPX-UYJHFMRCSA-N 1 0 339.401 4.096 20 30 EIEDRO Cc1ccccc1C([NH2+]Cc1cncc(C#N)c1)c1ccccc1C ZINC001193142191 1051879285 /nfs/dbraw/zinc/87/92/85/1051879285.db2.gz SGLURFFSRZXEFP-UHFFFAOYSA-N 1 0 327.431 4.449 20 30 EIEDRO N#Cc1cccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1F ZINC000774660272 1051879852 /nfs/dbraw/zinc/87/98/52/1051879852.db2.gz RBKASYCLYHISDJ-ZWKOTPCHSA-N 1 0 342.414 4.159 20 30 EIEDRO N#CC(CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1)(c1ccccc1)c1ccccc1 ZINC001176086261 1051890003 /nfs/dbraw/zinc/89/00/03/1051890003.db2.gz GJEBMAOFOBDDHH-KDURUIRLSA-N 1 0 348.515 4.181 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)cc1C#N ZINC001183754552 1051894520 /nfs/dbraw/zinc/89/45/20/1051894520.db2.gz DSGKGFVZXYQSKV-UHFFFAOYSA-N 1 0 336.435 4.112 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)c1cccc(C#N)c1 ZINC001176052486 1051897415 /nfs/dbraw/zinc/89/74/15/1051897415.db2.gz OFLWNNCYJLXBFA-INIZCTEOSA-N 1 0 343.430 4.391 20 30 EIEDRO N#CCc1ccc(C[N@H+]2CCCC[C@H]2CC2(O)CCCCC2)cc1 ZINC001176061956 1051900845 /nfs/dbraw/zinc/90/08/45/1051900845.db2.gz LPTFMROOIFKFIF-FQEVSTJZSA-N 1 0 326.484 4.192 20 30 EIEDRO C=CCC[C@H](O)C[N@@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001193385354 1051915218 /nfs/dbraw/zinc/91/52/18/1051915218.db2.gz UMJAHUONTDPVOH-OLZOCXBDSA-N 1 0 332.271 4.020 20 30 EIEDRO CCC1(CC)CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC001193429928 1051923419 /nfs/dbraw/zinc/92/34/19/1051923419.db2.gz AVSLQLRBSNNJKK-UHFFFAOYSA-N 1 0 328.456 4.137 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC[C@@H](C)C2)c1 ZINC001193516535 1051942325 /nfs/dbraw/zinc/94/23/25/1051942325.db2.gz CYDUJDALETUSQH-APWZRJJASA-N 1 0 341.499 4.061 20 30 EIEDRO C=CCCC[N@@H+](CC)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001184187537 1051958483 /nfs/dbraw/zinc/95/84/83/1051958483.db2.gz FBDHUOAUEPNSJX-AYHJJNSGSA-N 1 0 336.520 4.453 20 30 EIEDRO COC(=O)c1cccc(C[N@@H+]2CC[C@H](C)C3(CCCCC3)C2)c1C#N ZINC001193637488 1051962398 /nfs/dbraw/zinc/96/23/98/1051962398.db2.gz XXJYACAZYXVEOG-INIZCTEOSA-N 1 0 340.467 4.137 20 30 EIEDRO C[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000184448777 1051979599 /nfs/dbraw/zinc/97/95/99/1051979599.db2.gz KHENZVUDTLIPFG-CYBMUJFWSA-N 1 0 329.469 4.042 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2ccc(C#N)cc2OC(F)(F)F)cc1 ZINC001176292473 1051981611 /nfs/dbraw/zinc/98/16/11/1051981611.db2.gz UKEGKIXZABULEI-UHFFFAOYSA-N 1 0 335.329 4.262 20 30 EIEDRO CCc1ccc([C@H](CNc2nc(C)c(C#N)cc2Cl)[NH+](C)C)cc1 ZINC001184491542 1052013426 /nfs/dbraw/zinc/01/34/26/1052013426.db2.gz NBCZUZLLYWZWBJ-SFHVURJKSA-N 1 0 342.874 4.192 20 30 EIEDRO C#CCC1([NH2+]CC(=O)Nc2ccc(C(C)(C)C)cc2)CCCCC1 ZINC001176431597 1052052185 /nfs/dbraw/zinc/05/21/85/1052052185.db2.gz GSZXIKXVZLOMOP-UHFFFAOYSA-N 1 0 326.484 4.238 20 30 EIEDRO C#CCC1([NH2+]Cc2nc3cc(Br)ccc3o2)CCCCC1 ZINC001176432053 1052052724 /nfs/dbraw/zinc/05/27/24/1052052724.db2.gz MAZBPJPGVBAXNO-UHFFFAOYSA-N 1 0 347.256 4.406 20 30 EIEDRO C=CC[N@@H+](CCOC)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001193991583 1052055001 /nfs/dbraw/zinc/05/50/01/1052055001.db2.gz YEZZJMXGBDZVCK-UHFFFAOYSA-N 1 0 347.405 4.178 20 30 EIEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)cc1 ZINC001194161739 1052090898 /nfs/dbraw/zinc/09/08/98/1052090898.db2.gz CWARPARHDRBNAV-RMJJICAUSA-N 1 0 341.499 4.045 20 30 EIEDRO Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)n2c3ccccc3nc2c1C#N ZINC001184738575 1052096618 /nfs/dbraw/zinc/09/66/18/1052096618.db2.gz BFCLRRYDKLXNEK-MRXNPFEDSA-N 1 0 349.482 4.056 20 30 EIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CC(C)(C)OC1(C)C ZINC001194270590 1052123946 /nfs/dbraw/zinc/12/39/46/1052123946.db2.gz ZQCPUOMMQRLGIW-SFHVURJKSA-N 1 0 333.520 4.436 20 30 EIEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC001194505079 1052162086 /nfs/dbraw/zinc/16/20/86/1052162086.db2.gz JYOWEPUENMPHRL-IERDGZPVSA-N 1 0 336.435 4.197 20 30 EIEDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000774835214 1052177848 /nfs/dbraw/zinc/17/78/48/1052177848.db2.gz KCEQPOQRKUAVEW-CQSZACIVSA-N 1 0 344.842 4.492 20 30 EIEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001176771613 1052193924 /nfs/dbraw/zinc/19/39/24/1052193924.db2.gz NZPVXDPFKGSLIR-QGZVFWFLSA-N 1 0 339.458 4.431 20 30 EIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1csc2ccccc21 ZINC001176828346 1052196021 /nfs/dbraw/zinc/19/60/21/1052196021.db2.gz RVBWPSYYKBXOEL-CQSZACIVSA-N 1 0 349.459 4.452 20 30 EIEDRO CCCCCC[N@@H+](Cc1ccco1)C[C@H](O)c1cccc(C#N)c1 ZINC001176828297 1052196077 /nfs/dbraw/zinc/19/60/77/1052196077.db2.gz QVDTXFQMXVHVRM-FQEVSTJZSA-N 1 0 326.440 4.267 20 30 EIEDRO COc1cc(C[N@@H+]2CCC23CCC3)ccc1OCc1cccc(C#N)c1 ZINC000081545370 1052196869 /nfs/dbraw/zinc/19/68/69/1052196869.db2.gz LXIGAPRTFHJHCK-UHFFFAOYSA-N 1 0 348.446 4.274 20 30 EIEDRO CCC[C@@](C)([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1 ZINC001176891607 1052201907 /nfs/dbraw/zinc/20/19/07/1052201907.db2.gz KCKLTMKBNBANKK-HXUWFJFHSA-N 1 0 339.439 4.012 20 30 EIEDRO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)cc1 ZINC000774858131 1052219933 /nfs/dbraw/zinc/21/99/33/1052219933.db2.gz VOJWCBMIKHABAJ-ZDUSSCGKSA-N 1 0 330.815 4.102 20 30 EIEDRO N#CCCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000171416758 1052422656 /nfs/dbraw/zinc/42/26/56/1052422656.db2.gz LSHTWKURKGKULY-UHFFFAOYSA-N 1 0 333.229 4.493 20 30 EIEDRO C=CCSCC[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000172119193 1052479349 /nfs/dbraw/zinc/47/93/49/1052479349.db2.gz LTFGUJMPXABGNB-UHFFFAOYSA-N 1 0 334.510 4.039 20 30 EIEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000671255466 1052532810 /nfs/dbraw/zinc/53/28/10/1052532810.db2.gz PCNHYPPNGGCILO-CYBMUJFWSA-N 1 0 341.295 4.093 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1 ZINC000072726026 1052580281 /nfs/dbraw/zinc/58/02/81/1052580281.db2.gz ZEUPRJRSIPYOHD-SFHVURJKSA-N 1 0 344.462 4.357 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)CC(F)(F)F)cc1OC ZINC000623494613 1052665190 /nfs/dbraw/zinc/66/51/90/1052665190.db2.gz XBUDLRKAXSJDPQ-JTQLQIEISA-N 1 0 337.769 4.344 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(CNCc2nc3ccccc3n2CC)c1 ZINC000073012175 1052671373 /nfs/dbraw/zinc/67/13/73/1052671373.db2.gz CGQNWRRQGWBPEI-QGZVFWFLSA-N 1 0 348.450 4.027 20 30 EIEDRO CC(C)c1ccc(C[C@H]2CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000763961152 1052683698 /nfs/dbraw/zinc/68/36/98/1052683698.db2.gz CGZMKHVAPQAYNJ-OFNKIYASSA-N 1 0 348.490 4.280 20 30 EIEDRO CC(C)([NH2+]Cc1cc(C#N)cs1)c1ccccc1Br ZINC000179328564 1052730623 /nfs/dbraw/zinc/73/06/23/1052730623.db2.gz RWXZOKQLYMANSQ-UHFFFAOYSA-N 1 0 335.270 4.407 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1cn(C)nc1-c1cccs1 ZINC000179603266 1052743331 /nfs/dbraw/zinc/74/33/31/1052743331.db2.gz MCVHNACHYXVOPV-UHFFFAOYSA-N 1 0 329.494 4.398 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(F)c1)c1ccccc1 ZINC000180038260 1052775066 /nfs/dbraw/zinc/77/50/66/1052775066.db2.gz CPAUDSWHIFWCHJ-IBGZPJMESA-N 1 0 327.399 4.409 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)n1C)c1ccccc1 ZINC000180036341 1052775589 /nfs/dbraw/zinc/77/55/89/1052775589.db2.gz CRMOEWVSUSXAQV-LJQANCHMSA-N 1 0 332.451 4.279 20 30 EIEDRO CO[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000623967695 1052844700 /nfs/dbraw/zinc/84/47/00/1052844700.db2.gz GEWSXNJYQKWSDC-PRHODGIISA-N 1 0 347.274 4.463 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623976996 1052846110 /nfs/dbraw/zinc/84/61/10/1052846110.db2.gz CMJHIUDGMKOSHU-OZVIIMIRSA-N 1 0 331.353 4.476 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1C(F)(F)F ZINC000623976995 1052846237 /nfs/dbraw/zinc/84/62/37/1052846237.db2.gz CMJHIUDGMKOSHU-MKBNYLNASA-N 1 0 331.353 4.476 20 30 EIEDRO N#CC1(c2ccc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)cc2)CC1 ZINC000850137206 1053077362 /nfs/dbraw/zinc/07/73/62/1053077362.db2.gz KMQCAHOGWKEBHF-JOCHJYFZSA-N 1 0 346.474 4.499 20 30 EIEDRO CCCCCCCCOC(=O)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001194743623 1053078155 /nfs/dbraw/zinc/07/81/55/1053078155.db2.gz LREXUYFSNFWXEA-UHFFFAOYSA-N 1 0 342.499 4.382 20 30 EIEDRO C=C(C)CN(CC)C(=O)[C@H](C)Nc1ccc([NH+]2CCCCCC2)cc1 ZINC000863850822 1053085291 /nfs/dbraw/zinc/08/52/91/1053085291.db2.gz IWXRYLCPFNTSJN-SFHVURJKSA-N 1 0 343.515 4.292 20 30 EIEDRO Cc1ccc2oc(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)cc2c1 ZINC000850375713 1053153589 /nfs/dbraw/zinc/15/35/89/1053153589.db2.gz LJRUPPCUZDIFLG-UHFFFAOYSA-N 1 0 333.435 4.381 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cc(Cl)cs3)CCOCC2)c1 ZINC000850384573 1053157112 /nfs/dbraw/zinc/15/71/12/1053157112.db2.gz YEIFIGFMDSFGIC-UHFFFAOYSA-N 1 0 332.856 4.069 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)cc1 ZINC000850387922 1053159305 /nfs/dbraw/zinc/15/93/05/1053159305.db2.gz CTTKPPATYZSOHC-MNEFBYGVSA-N 1 0 342.483 4.193 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(OCC#N)cc1 ZINC000850441750 1053216475 /nfs/dbraw/zinc/21/64/75/1053216475.db2.gz BMXUGBCHUOAEHQ-HOTGVXAUSA-N 1 0 336.435 4.326 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)C(C)(C)C(F)F)ccc1OC ZINC000850444236 1053218030 /nfs/dbraw/zinc/21/80/30/1053218030.db2.gz VQQUEMOQFCYKSE-TZMCWYRMSA-N 1 0 340.414 4.146 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000850480681 1053252457 /nfs/dbraw/zinc/25/24/57/1053252457.db2.gz BNOYVEXZHBPAPK-GPMSIDNRSA-N 1 0 328.456 4.429 20 30 EIEDRO C=CCCSCC[NH2+][C@H](c1nc(Br)cs1)C1CC1 ZINC000850501718 1053261945 /nfs/dbraw/zinc/26/19/45/1053261945.db2.gz FYALPMJPOSQKGB-LBPRGKRZSA-N 1 0 347.347 4.256 20 30 EIEDRO C=CCCOc1ccc(C(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001195140806 1053291075 /nfs/dbraw/zinc/29/10/75/1053291075.db2.gz DJUVAPSSQUHJAZ-UHFFFAOYSA-N 1 0 344.499 4.023 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000764770364 1053302730 /nfs/dbraw/zinc/30/27/30/1053302730.db2.gz APGSDSJUUKEWKI-LIRRHRJNSA-N 1 0 349.833 4.341 20 30 EIEDRO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850549311 1053305737 /nfs/dbraw/zinc/30/57/37/1053305737.db2.gz FVPOAVKRPSLWBB-SJORKVTESA-N 1 0 349.519 4.086 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000850557018 1053313449 /nfs/dbraw/zinc/31/34/49/1053313449.db2.gz UKFJZZLZECBLRX-QZTJIDSGSA-N 1 0 347.245 4.176 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2csc(C)n2)cc1 ZINC000764826670 1053320387 /nfs/dbraw/zinc/32/03/87/1053320387.db2.gz JAWCLRUPNOBGFE-ZDUSSCGKSA-N 1 0 336.888 4.476 20 30 EIEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552068362 1053380914 /nfs/dbraw/zinc/38/09/14/1053380914.db2.gz TVEZDODRSUIZBF-QGZVFWFLSA-N 1 0 339.405 4.094 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CCCCC1 ZINC001195358096 1053381607 /nfs/dbraw/zinc/38/16/07/1053381607.db2.gz LACGDFWZDMZXNW-AWEZNQCLSA-N 1 0 325.374 4.495 20 30 EIEDRO C=CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccncc1 ZINC000794800645 1053384001 /nfs/dbraw/zinc/38/40/01/1053384001.db2.gz FLXRABBRFPYQQI-BLLLJJGKSA-N 1 0 332.245 4.207 20 30 EIEDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000765015067 1053420453 /nfs/dbraw/zinc/42/04/53/1053420453.db2.gz OAOVMGYLJFKRJW-CYBMUJFWSA-N 1 0 334.448 4.236 20 30 EIEDRO C#CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)c1ccccc1 ZINC000794815717 1053426163 /nfs/dbraw/zinc/42/61/63/1053426163.db2.gz KYUHYHAOIFDXCT-SUMWQHHRSA-N 1 0 329.241 4.259 20 30 EIEDRO C[C@H](CC(C)(C)C#N)OC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000851204324 1053437549 /nfs/dbraw/zinc/43/75/49/1053437549.db2.gz OPPVGOPIEQSDNM-QGZVFWFLSA-N 1 0 342.483 4.160 20 30 EIEDRO CCC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H](O)c1ccccc1 ZINC000794829738 1053441408 /nfs/dbraw/zinc/44/14/08/1053441408.db2.gz FXDKFHFRTFOYAI-FSSWDIPSSA-N 1 0 334.463 4.428 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2COC(C)C)cc1 ZINC000765337354 1053509667 /nfs/dbraw/zinc/50/96/67/1053509667.db2.gz WWUPGEGLAXZGMI-GOSISDBHSA-N 1 0 337.463 4.474 20 30 EIEDRO C#CCOCC[NH2+][C@@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000851933452 1053535532 /nfs/dbraw/zinc/53/55/32/1053535532.db2.gz QWKRYLYCBMHVKK-LBPRGKRZSA-N 1 0 334.872 4.072 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000852098243 1053548505 /nfs/dbraw/zinc/54/85/05/1053548505.db2.gz IAPPFUUTVUYNQL-ZUZCIYMTSA-N 1 0 346.780 4.077 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC001196003525 1053551212 /nfs/dbraw/zinc/55/12/12/1053551212.db2.gz AGRGESCEQQCHJR-NRFANRHFSA-N 1 0 348.446 4.207 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]CCc2ccc3ccccc3n2)cc1 ZINC000765455187 1053552936 /nfs/dbraw/zinc/55/29/36/1053552936.db2.gz BPFOXEWAQRGABV-KRWDZBQOSA-N 1 0 330.431 4.140 20 30 EIEDRO CC(C)c1c(Cl)ncnc1N=NC1CC[NH+](C2CCCC2)CC1 ZINC000797404107 1053563631 /nfs/dbraw/zinc/56/36/31/1053563631.db2.gz GVILWKZJYWCZLB-UHFFFAOYSA-N 1 0 335.883 4.060 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000776581001 1053564258 /nfs/dbraw/zinc/56/42/58/1053564258.db2.gz BRQQNONUAYMGGV-DLBZAZTESA-N 1 0 349.519 4.038 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC001196056580 1053564997 /nfs/dbraw/zinc/56/49/97/1053564997.db2.gz LUVDYBBOHOTYAX-NJYVYQBISA-N 1 0 342.527 4.267 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000776587364 1053568319 /nfs/dbraw/zinc/56/83/19/1053568319.db2.gz MSZZVWHOQBXKPY-SJORKVTESA-N 1 0 349.519 4.180 20 30 EIEDRO C=CCc1cc(C[NH2+]C2CCC(OC(C)(C)C)CC2)cc(OC)c1O ZINC000865699005 1053574604 /nfs/dbraw/zinc/57/46/04/1053574604.db2.gz WPQPKQYYWNAYDV-UHFFFAOYSA-N 1 0 347.499 4.345 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852594838 1053595199 /nfs/dbraw/zinc/59/51/99/1053595199.db2.gz DGCMFKIMNLTCDM-CRAIPNDOSA-N 1 0 348.874 4.023 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1cc2cnccc2o1 ZINC000865852136 1053610507 /nfs/dbraw/zinc/61/05/07/1053610507.db2.gz NSWHLTFIYPGXOF-HNNXBMFYSA-N 1 0 334.423 4.028 20 30 EIEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1C(F)(F)F ZINC001196315099 1053630446 /nfs/dbraw/zinc/63/04/46/1053630446.db2.gz ZPFVAJCBWFGCDN-WMZOPIPTSA-N 1 0 341.417 4.430 20 30 EIEDRO C#CCCN(CCOC)Cc1cc2cc(Cl)ccc2nc1Cl ZINC001196401901 1053656659 /nfs/dbraw/zinc/65/66/59/1053656659.db2.gz DNVFDLREMLMTIV-UHFFFAOYSA-N 1 0 337.250 4.013 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3cc(OC)ccc32)c1 ZINC000866296304 1053680850 /nfs/dbraw/zinc/68/08/50/1053680850.db2.gz AJTIMPZMLGJUCT-DYESRHJHSA-N 1 0 336.435 4.153 20 30 EIEDRO CC(C)(C)[PH+](CCCNC(=O)c1ncccc1C#N)C(C)(C)C ZINC001196564711 1053694818 /nfs/dbraw/zinc/69/48/18/1053694818.db2.gz VIUHNXZACYQYBC-UHFFFAOYSA-N 1 0 333.416 4.152 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(SC(F)(F)F)c1 ZINC000866342208 1053698018 /nfs/dbraw/zinc/69/80/18/1053698018.db2.gz BUGIOMRIGBEKFO-NSHDSACASA-N 1 0 337.370 4.416 20 30 EIEDRO C[C@H](CCc1cncc2ccccc21)[NH2+]CCc1ccc(C#N)cc1 ZINC000866385673 1053710621 /nfs/dbraw/zinc/71/06/21/1053710621.db2.gz PAEUWZOWFDYKNH-QGZVFWFLSA-N 1 0 329.447 4.260 20 30 EIEDRO C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000866450821 1053735019 /nfs/dbraw/zinc/73/50/19/1053735019.db2.gz KSYPGZCLTAWRDV-DMKPSLHHSA-N 1 0 330.472 4.366 20 30 EIEDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCCC1 ZINC000543702096 1053746310 /nfs/dbraw/zinc/74/63/10/1053746310.db2.gz BWKXZWNMVQCBGL-MRXNPFEDSA-N 1 0 336.483 4.265 20 30 EIEDRO C(=[NH+]OCc1cccnc1)c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000794923089 1053749750 /nfs/dbraw/zinc/74/97/50/1053749750.db2.gz MDDBXZKTJVUBIY-UHFFFAOYSA-N 1 0 343.430 4.195 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CCC23CCOCC3)CC1 ZINC000866529587 1053770912 /nfs/dbraw/zinc/77/09/12/1053770912.db2.gz QHLLJQKFRHIDDF-YMISUZCDSA-N 1 0 338.495 4.187 20 30 EIEDRO C[N@H+](CCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC001196829981 1053773230 /nfs/dbraw/zinc/77/32/30/1053773230.db2.gz IIJFRBXHOOYAMJ-XJKSGUPXSA-N 1 0 326.362 4.098 20 30 EIEDRO C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1cc2c(ccnc2Cl)o1 ZINC000866616208 1053807815 /nfs/dbraw/zinc/80/78/15/1053807815.db2.gz LCXNTFIWIBIGLD-XHDPSFHLSA-N 1 0 337.810 4.171 20 30 EIEDRO Clc1ccccc1C#CCN1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001197264814 1053864745 /nfs/dbraw/zinc/86/47/45/1053864745.db2.gz OBLFKVUFMXGXDS-LJQANCHMSA-N 1 0 336.866 4.176 20 30 EIEDRO CCc1cc(C(=O)Nc2ccc(C3CC[NH+](C)CC3)cc2)ccc1C#N ZINC001197291965 1053877297 /nfs/dbraw/zinc/87/72/97/1053877297.db2.gz FLQJHJUIYDSSTO-UHFFFAOYSA-N 1 0 347.462 4.182 20 30 EIEDRO C=CCCC[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC001197378087 1053898014 /nfs/dbraw/zinc/89/80/14/1053898014.db2.gz UTYSQUIIPQMJIY-FQEVSTJZSA-N 1 0 343.492 4.148 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(Cl)cc2OC)cc1 ZINC000113339842 1053924921 /nfs/dbraw/zinc/92/49/21/1053924921.db2.gz JWPGKPRAIXUDSE-UHFFFAOYSA-N 1 0 329.827 4.041 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CCC1(C#N)CCCCC1)CC2 ZINC001197496502 1053927594 /nfs/dbraw/zinc/92/75/94/1053927594.db2.gz KMFYAELZCUZQDJ-MRXNPFEDSA-N 1 0 342.483 4.487 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C2(c3nc(C)cs3)CCCC2)cc1 ZINC000172120963 1053932195 /nfs/dbraw/zinc/93/21/95/1053932195.db2.gz DJXCUDFALSRIND-UHFFFAOYSA-N 1 0 340.492 4.413 20 30 EIEDRO C[C@H](C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)(C)C ZINC001197604139 1053954453 /nfs/dbraw/zinc/95/44/53/1053954453.db2.gz ZSZYGYVXQCDBQW-CYBMUJFWSA-N 1 0 347.528 4.051 20 30 EIEDRO Cc1csc(C[C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC001197863318 1054019090 /nfs/dbraw/zinc/01/90/90/1054019090.db2.gz CXSPMQJQEMNEBO-KRWDZBQOSA-N 1 0 344.911 4.411 20 30 EIEDRO C#CCC1([NH2+]Cc2cc(Br)ccc2OC(F)F)CCC1 ZINC001198033241 1054062375 /nfs/dbraw/zinc/06/23/75/1054062375.db2.gz DPHNKHWZFPMSAQ-UHFFFAOYSA-N 1 0 344.199 4.086 20 30 EIEDRO COc1ccc(C#N)cc1C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC001198122219 1054083159 /nfs/dbraw/zinc/08/31/59/1054083159.db2.gz BOTWOUBNVKMSLD-UHFFFAOYSA-N 1 0 343.430 4.337 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccc(N(C)C)cc1 ZINC000775833290 1054107390 /nfs/dbraw/zinc/10/73/90/1054107390.db2.gz AZPGQGKHORKPIR-CYBMUJFWSA-N 1 0 345.393 4.076 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC001198289972 1054116328 /nfs/dbraw/zinc/11/63/28/1054116328.db2.gz XREGWXCDAHKYHT-OAHLLOKOSA-N 1 0 338.517 4.470 20 30 EIEDRO C=CCCC[N@@H+](CC)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC001198457926 1054150592 /nfs/dbraw/zinc/15/05/92/1054150592.db2.gz OGIMXHNPWGAKMZ-UHFFFAOYSA-N 1 0 339.270 4.362 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cnn(CC2CCC2)c1 ZINC001198554219 1054195701 /nfs/dbraw/zinc/19/57/01/1054195701.db2.gz QRILDRSQKDOAQC-OAHLLOKOSA-N 1 0 327.859 4.039 20 30 EIEDRO COc1ccc([C@H]2C[C@@H]([NH2+][C@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC001168575452 1054222947 /nfs/dbraw/zinc/22/29/47/1054222947.db2.gz GSVJCDGDJMOUCN-MFMILTCTSA-N 1 0 336.435 4.138 20 30 EIEDRO Cc1cc(Br)cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1O ZINC000775913042 1054282384 /nfs/dbraw/zinc/28/23/84/1054282384.db2.gz GSEQZVCKNAVHTK-LBPRGKRZSA-N 1 0 345.240 4.186 20 30 EIEDRO C#Cc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N(CC)CC)cc1 ZINC001199000310 1054326443 /nfs/dbraw/zinc/32/64/43/1054326443.db2.gz FZXHCLBMRPKHAP-OAQYLSRUSA-N 1 0 340.898 4.494 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)c2nccnc2C)cc1 ZINC000872135587 1054409978 /nfs/dbraw/zinc/40/99/78/1054409978.db2.gz WZVUQPIODHLCHZ-ZFWWWQNUSA-N 1 0 331.847 4.328 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858052179 1054410270 /nfs/dbraw/zinc/41/02/70/1054410270.db2.gz UYTXJPFFSGZINQ-FOIQADDNSA-N 1 0 333.435 4.045 20 30 EIEDRO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137059091 1054440464 /nfs/dbraw/zinc/44/04/64/1054440464.db2.gz MECZYXGSNASAHQ-KRWDZBQOSA-N 1 0 349.409 4.222 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)cc1 ZINC000858214902 1054441364 /nfs/dbraw/zinc/44/13/64/1054441364.db2.gz WCNYKLHNGDSGGH-FBFWQHAYSA-N 1 0 338.838 4.059 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000776016656 1054448935 /nfs/dbraw/zinc/44/89/35/1054448935.db2.gz QTRBBIHMTGMSPH-LJQANCHMSA-N 1 0 326.827 4.483 20 30 EIEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccc(Br)cc1O ZINC000282161497 1054461074 /nfs/dbraw/zinc/46/10/74/1054461074.db2.gz DKDPNKBRACDXHS-PNESKVBLSA-N 1 0 337.261 4.135 20 30 EIEDRO CCCCC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)C(C)(C)C ZINC000776023010 1054464503 /nfs/dbraw/zinc/46/45/03/1054464503.db2.gz IFXVATAUGMFJJA-INIZCTEOSA-N 1 0 333.476 4.291 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000858321204 1054464955 /nfs/dbraw/zinc/46/49/55/1054464955.db2.gz VQLUPEVFPAPYRJ-HXUWFJFHSA-N 1 0 339.870 4.467 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2c(C)nn(C)c2C)cc1 ZINC000124271565 1054466606 /nfs/dbraw/zinc/46/66/06/1054466606.db2.gz KVYPCBGPWUSNSP-AWEZNQCLSA-N 1 0 347.890 4.062 20 30 EIEDRO C#CCOc1ccc(C[NH2+]Cc2ccccc2CC(F)(F)F)cc1 ZINC000858329851 1054467093 /nfs/dbraw/zinc/46/70/93/1054467093.db2.gz GDZQWGVHUCYJDV-UHFFFAOYSA-N 1 0 333.353 4.093 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(Cl)nc2)cc1Cl ZINC001200980964 1054595390 /nfs/dbraw/zinc/59/53/90/1054595390.db2.gz RDBKNXSITOCXDX-UHFFFAOYSA-N 1 0 337.250 4.286 20 30 EIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)ccc1OC(F)F ZINC000859228613 1054647700 /nfs/dbraw/zinc/64/77/00/1054647700.db2.gz SWKXNHKAXMPMPN-ZDUSSCGKSA-N 1 0 346.377 4.328 20 30 EIEDRO C=CCC1([NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2)CCCCC1 ZINC000859743692 1054721097 /nfs/dbraw/zinc/72/10/97/1054721097.db2.gz NGXGPMBQYCZJEU-UHFFFAOYSA-N 1 0 341.499 4.094 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1ccc(OCC#N)cc1 ZINC000776155110 1054759793 /nfs/dbraw/zinc/75/97/93/1054759793.db2.gz YIIJNIVONBRQTD-AWEZNQCLSA-N 1 0 346.377 4.084 20 30 EIEDRO C[NH+](C)Cc1cccc(Nc2c(Br)cccc2C#N)c1 ZINC001201399251 1054774454 /nfs/dbraw/zinc/77/44/54/1054774454.db2.gz BISISRMNPOZVES-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000776164869 1054775788 /nfs/dbraw/zinc/77/57/88/1054775788.db2.gz KWWWPDPSDZHXGU-LPHOPBHVSA-N 1 0 349.434 4.121 20 30 EIEDRO CC(C)c1ccc(OCC[NH2+][C@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000776161676 1054782814 /nfs/dbraw/zinc/78/28/14/1054782814.db2.gz YQGQIUFFLNURFU-QGZVFWFLSA-N 1 0 338.451 4.442 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1ccc(OCC#N)cc1 ZINC000776161090 1054786274 /nfs/dbraw/zinc/78/62/74/1054786274.db2.gz STYGWHPVOWSZNY-LIRRHRJNSA-N 1 0 340.398 4.293 20 30 EIEDRO C=CCOC(=O)N1CCC2(CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC001201390201 1054787660 /nfs/dbraw/zinc/78/76/60/1054787660.db2.gz DUKLILYPRUECQH-UHFFFAOYSA-N 1 0 334.504 4.067 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(F)cc1Cl)c1ccc(OCC#N)cc1 ZINC000776165230 1054792341 /nfs/dbraw/zinc/79/23/41/1054792341.db2.gz OPPYPOVFZMKHBC-ZDUSSCGKSA-N 1 0 332.806 4.275 20 30 EIEDRO CCCCCn1cc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)c(C)n1 ZINC000776172699 1054802189 /nfs/dbraw/zinc/80/21/89/1054802189.db2.gz XJFCNJNEDBZECI-MRXNPFEDSA-N 1 0 340.471 4.135 20 30 EIEDRO N#CCc1ccccc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201477853 1054831229 /nfs/dbraw/zinc/83/12/29/1054831229.db2.gz NTXUOCNGIQMYLJ-RTWAWAEBSA-N 1 0 329.447 4.485 20 30 EIEDRO C[N@H+](Cc1ccc(Cl)nc1)Cc1cccc(OCCCC#N)c1 ZINC000125724943 1054851587 /nfs/dbraw/zinc/85/15/87/1054851587.db2.gz GCDHBPOIYUNDCK-UHFFFAOYSA-N 1 0 329.831 4.050 20 30 EIEDRO C[NH+]1CCC(COc2ccc(Nc3ccc(C#N)cc3F)cc2)CC1 ZINC001201575650 1054854626 /nfs/dbraw/zinc/85/46/26/1054854626.db2.gz UABDLFHHYFNNEI-UHFFFAOYSA-N 1 0 339.414 4.162 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CCCN2C(=O)c2ccco2)CC1 ZINC001201762757 1054899408 /nfs/dbraw/zinc/89/94/08/1054899408.db2.gz SZNYWRPYKCIOOP-UHFFFAOYSA-N 1 0 332.488 4.321 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201814233 1054912915 /nfs/dbraw/zinc/91/29/15/1054912915.db2.gz MYWAZDXFHYDFJK-QZTJIDSGSA-N 1 0 335.561 4.400 20 30 EIEDRO CCCCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001201815148 1054915697 /nfs/dbraw/zinc/91/56/97/1054915697.db2.gz XMPBVZBBWFYJDT-HXUWFJFHSA-N 1 0 330.520 4.129 20 30 EIEDRO CCCCCCC[NH+]1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001201777481 1054918289 /nfs/dbraw/zinc/91/82/89/1054918289.db2.gz XVHDBZWVYCPUGG-LJQANCHMSA-N 1 0 334.548 4.365 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000876562026 1054928888 /nfs/dbraw/zinc/92/88/88/1054928888.db2.gz OCWXXKLGAPKSSW-FGTMMUONSA-N 1 0 349.519 4.038 20 30 EIEDRO CCCCCCCC[NH+]1CCC(NC(=O)c2cccc(OC)c2)CC1 ZINC001201839687 1054931470 /nfs/dbraw/zinc/93/14/70/1054931470.db2.gz HGDNYIGQTWFQIZ-UHFFFAOYSA-N 1 0 346.515 4.250 20 30 EIEDRO CC(C)C[N@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(C#N)cc1 ZINC000876603169 1054934865 /nfs/dbraw/zinc/93/48/65/1054934865.db2.gz KZLCOAFCTHXXFY-UHFFFAOYSA-N 1 0 335.407 4.063 20 30 EIEDRO CCCCCCCCCC[NH+]1CCN(CCc2ccncc2)CC1 ZINC001201875395 1054941419 /nfs/dbraw/zinc/94/14/19/1054941419.db2.gz XZITVHQWWHJPQI-UHFFFAOYSA-N 1 0 331.548 4.382 20 30 EIEDRO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000876793192 1054958829 /nfs/dbraw/zinc/95/88/29/1054958829.db2.gz IWHIPGZQHJLPTI-AEFFLSMTSA-N 1 0 328.481 4.224 20 30 EIEDRO CS[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC001201970768 1054971445 /nfs/dbraw/zinc/97/14/45/1054971445.db2.gz KBTKIXTURZRMGL-AWEZNQCLSA-N 1 0 341.318 4.188 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc3ccccc3n2C)c1 ZINC000877047161 1055006261 /nfs/dbraw/zinc/00/62/61/1055006261.db2.gz YMDMOQAONOFIDQ-LJQANCHMSA-N 1 0 333.435 4.149 20 30 EIEDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c(Cl)nc(Cl)c(C#N)c1Cl ZINC001168596205 1055035455 /nfs/dbraw/zinc/03/54/55/1055035455.db2.gz GHZYSSKHHCUIJF-UWVGGRQHSA-N 1 0 347.677 4.198 20 30 EIEDRO CC(C)(C)Oc1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000877499111 1055066672 /nfs/dbraw/zinc/06/66/72/1055066672.db2.gz YNUWOCRLABVDSQ-UHFFFAOYSA-N 1 0 349.478 4.316 20 30 EIEDRO CC(C)(C)OC(=O)Nc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000877563075 1055080365 /nfs/dbraw/zinc/08/03/65/1055080365.db2.gz GMLNGDIFQNZQFS-YOEHRIQHSA-N 1 0 329.444 4.206 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@H]2C[C@H]([NH2+]CC(C)(C)CC#N)CC[C@@H]21 ZINC000877584371 1055086376 /nfs/dbraw/zinc/08/63/76/1055086376.db2.gz QIDPEGGXMWJJJG-BBWFWOEESA-N 1 0 349.519 4.084 20 30 EIEDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000877593872 1055088742 /nfs/dbraw/zinc/08/87/42/1055088742.db2.gz IFBZBFJQZSYGRZ-IGMHASDESA-N 1 0 334.400 4.248 20 30 EIEDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000877593874 1055089714 /nfs/dbraw/zinc/08/97/14/1055089714.db2.gz IFBZBFJQZSYGRZ-SXHVTTPXSA-N 1 0 334.400 4.248 20 30 EIEDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(C(F)(F)F)ccc1CC#N ZINC001168600916 1055100290 /nfs/dbraw/zinc/10/02/90/1055100290.db2.gz IOEBCJYBZRQQLU-HOCLYGCPSA-N 1 0 325.378 4.056 20 30 EIEDRO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000126640781 1055107783 /nfs/dbraw/zinc/10/77/83/1055107783.db2.gz ZTIPXEXKDYOOKT-KRWDZBQOSA-N 1 0 335.234 4.030 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000126673709 1055109788 /nfs/dbraw/zinc/10/97/88/1055109788.db2.gz WEPKBXVYKMYEPD-PKTZIBPZSA-N 1 0 342.442 4.165 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000877898981 1055148096 /nfs/dbraw/zinc/14/80/96/1055148096.db2.gz WYPLAMINJVFIPX-YADHBBJMSA-N 1 0 332.447 4.264 20 30 EIEDRO COc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cc2ccccc21 ZINC001202366779 1055151907 /nfs/dbraw/zinc/15/19/07/1055151907.db2.gz QGHAGBPMMAMVQT-UHFFFAOYSA-N 1 0 328.415 4.499 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000877916150 1055153295 /nfs/dbraw/zinc/15/32/95/1055153295.db2.gz YMDLOBKIUMBIOL-XZOQPEGZSA-N 1 0 346.474 4.134 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000877960770 1055162587 /nfs/dbraw/zinc/16/25/87/1055162587.db2.gz BOTGYPVUIOUUBN-PMACEKPBSA-N 1 0 338.476 4.326 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H](C)c1ccc(C)cc1)c1ccccc1 ZINC000877968086 1055165125 /nfs/dbraw/zinc/16/51/25/1055165125.db2.gz IJXNLQRTNMPHKK-GCJKJVERSA-N 1 0 334.463 4.429 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000878166001 1055197900 /nfs/dbraw/zinc/19/79/00/1055197900.db2.gz JFYIFDAHMHSTAO-MTNREXPMSA-N 1 0 332.447 4.120 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1 ZINC000107714068 1055260748 /nfs/dbraw/zinc/26/07/48/1055260748.db2.gz NKGYTSNWGWSCHN-MRXNPFEDSA-N 1 0 333.435 4.181 20 30 EIEDRO C=C(C)COc1cc(C[NH2+][C@H](COC)c2ccccc2)ccc1OC ZINC000113355585 1055288609 /nfs/dbraw/zinc/28/86/09/1055288609.db2.gz YQKUQBJXTFTEHJ-LJQANCHMSA-N 1 0 341.451 4.127 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCCCCCC1 ZINC000108356005 1055290851 /nfs/dbraw/zinc/29/08/51/1055290851.db2.gz NSXGGYCSLLYTBP-MRXNPFEDSA-N 1 0 345.512 4.285 20 30 EIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCCCCCC1 ZINC000108356007 1055291666 /nfs/dbraw/zinc/29/16/66/1055291666.db2.gz IFEBMILGAPDJAN-MRXNPFEDSA-N 1 0 345.512 4.143 20 30 EIEDRO C[NH+](C)Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c1 ZINC000073491432 1055313532 /nfs/dbraw/zinc/31/35/32/1055313532.db2.gz ADASVXVVZPNWJU-FQEVSTJZSA-N 1 0 349.478 4.040 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+](C)C/C(C)=C/c1ccccc1)c1ccccc1 ZINC000878509634 1055330579 /nfs/dbraw/zinc/33/05/79/1055330579.db2.gz SEXFMIHGHOLRNN-BBIZSYTBSA-N 1 0 346.474 4.462 20 30 EIEDRO CCCNC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1ccccc1 ZINC000022805314 1055361530 /nfs/dbraw/zinc/36/15/30/1055361530.db2.gz SLROXFKJDVBERC-UHFFFAOYSA-O 1 0 341.500 4.036 20 30 EIEDRO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878755663 1055388080 /nfs/dbraw/zinc/38/80/80/1055388080.db2.gz GSAWRFAAXWKMIG-INIZCTEOSA-N 1 0 341.842 4.017 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000273266050 1055582800 /nfs/dbraw/zinc/58/28/00/1055582800.db2.gz YTYZTDDMRWUQNJ-GOSISDBHSA-N 1 0 339.464 4.071 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)c1ccc(C#N)c(F)c1 ZINC000273454520 1055842985 /nfs/dbraw/zinc/84/29/85/1055842985.db2.gz PIOYIJRERPIGKY-NSHDSACASA-N 1 0 330.790 4.136 20 30 EIEDRO N#Cc1cc(C(F)(F)F)ccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000301106725 1055896864 /nfs/dbraw/zinc/89/68/64/1055896864.db2.gz RFYURMOIYRSYRZ-MRXNPFEDSA-N 1 0 349.356 4.419 20 30 EIEDRO Cc1nnc(NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)c(C#N)c1C ZINC000301181229 1055905309 /nfs/dbraw/zinc/90/53/09/1055905309.db2.gz QDBXGJZWMGEXCQ-KRWDZBQOSA-N 1 0 349.482 4.041 20 30 EIEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273523453 1055908147 /nfs/dbraw/zinc/90/81/47/1055908147.db2.gz QHEDUJYJDMNICN-QUCCMNQESA-N 1 0 342.389 4.189 20 30 EIEDRO N#Cc1cnc2ccccc2c1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000301537601 1055947421 /nfs/dbraw/zinc/94/74/21/1055947421.db2.gz RESGGEJPXQHADY-GOSISDBHSA-N 1 0 348.475 4.417 20 30 EIEDRO CC1CC[NH+](C[C@H]2CCCN(c3c(C#N)cnc4ccccc43)C2)CC1 ZINC000301997528 1056004592 /nfs/dbraw/zinc/00/45/92/1056004592.db2.gz ULBPXHDLHFYQAU-GOSISDBHSA-N 1 0 348.494 4.055 20 30 EIEDRO CCc1ccc([C@@H](CNc2cc(C(C)=O)ccc2C#N)[NH+](C)C)cc1 ZINC000302008878 1056007459 /nfs/dbraw/zinc/00/74/59/1056007459.db2.gz BOUQYZBQRFDWSA-OAQYLSRUSA-N 1 0 335.451 4.038 20 30 EIEDRO CC(=O)c1ccc(C#N)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000302099612 1056016612 /nfs/dbraw/zinc/01/66/12/1056016612.db2.gz KTEIFSMHURERNL-KKSFZXQISA-N 1 0 347.462 4.083 20 30 EIEDRO CC(=O)c1ccc(C#N)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000302134386 1056023386 /nfs/dbraw/zinc/02/33/86/1056023386.db2.gz ZJTYQQKSSAOKAZ-HRAATJIYSA-N 1 0 347.462 4.226 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2OC)cc1 ZINC000765868044 1056032893 /nfs/dbraw/zinc/03/28/93/1056032893.db2.gz ODYYZPRNCORKIL-CQSZACIVSA-N 1 0 329.827 4.211 20 30 EIEDRO Cc1ccc(NCc2ccccc2C[NH+]2CCC(C)CC2)nc1C#N ZINC000302612509 1056057486 /nfs/dbraw/zinc/05/74/86/1056057486.db2.gz FHDJQFUSBNRGHT-UHFFFAOYSA-N 1 0 334.467 4.106 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000619508480 1056159786 /nfs/dbraw/zinc/15/97/86/1056159786.db2.gz ZRVLCPYLOIMSKI-YADHBBJMSA-N 1 0 332.447 4.229 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000542836143 1056192712 /nfs/dbraw/zinc/19/27/12/1056192712.db2.gz LLCJUPZKAIPZFN-CYBMUJFWSA-N 1 0 339.357 4.240 20 30 EIEDRO N#Cc1c(C[N@@H+](CCc2cccc(F)c2)C2CC2)cn2ccccc12 ZINC000303542832 1056207066 /nfs/dbraw/zinc/20/70/66/1056207066.db2.gz GJLBWWBJTZXSQT-UHFFFAOYSA-N 1 0 333.410 4.157 20 30 EIEDRO N#Cc1ccc2ncc(C[NH2+]C3CCC(c4ccccc4)CC3)n2c1 ZINC000123225246 1056326145 /nfs/dbraw/zinc/32/61/45/1056326145.db2.gz BMYVSUGXWFDEEZ-UHFFFAOYSA-N 1 0 330.435 4.022 20 30 EIEDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000109093975 1056376160 /nfs/dbraw/zinc/37/61/60/1056376160.db2.gz YJFVWJBWQZOUDF-OAHLLOKOSA-N 1 0 347.418 4.326 20 30 EIEDRO CC[N@H+](Cc1ccc(C(=O)N(C)Cc2ccc(C#N)cc2)cc1)C(C)C ZINC000153886585 1056723926 /nfs/dbraw/zinc/72/39/26/1056723926.db2.gz SBSUNWSEVJKYEL-UHFFFAOYSA-N 1 0 349.478 4.061 20 30 EIEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)c(C(F)(F)F)c1)Cc1ccccc1 ZINC000111105043 1056745846 /nfs/dbraw/zinc/74/58/46/1056745846.db2.gz ZTCWWEVHDVWGBZ-QGZVFWFLSA-N 1 0 347.384 4.162 20 30 EIEDRO COc1ccc(C[NH2+]CCSc2ccc(Cl)cc2)cc1C#N ZINC000742366029 1058577199 /nfs/dbraw/zinc/57/71/99/1058577199.db2.gz BKRXQVPGDOQSEN-UHFFFAOYSA-N 1 0 332.856 4.102 20 30 EIEDRO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(OC)c(C#N)c3)oc21 ZINC000742366413 1058577248 /nfs/dbraw/zinc/57/72/48/1058577248.db2.gz DATZVBQUGGNYFL-ZDUSSCGKSA-N 1 0 336.391 4.172 20 30 EIEDRO C#CCCC[NH2+]Cc1c(Cl)cccc1OCc1cccc(OC)c1 ZINC000742384995 1058588498 /nfs/dbraw/zinc/58/84/98/1058588498.db2.gz CBXQDBFKSDECEI-UHFFFAOYSA-N 1 0 343.854 4.431 20 30 EIEDRO CCO[C@@H]1C[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2O)C12CCCC2 ZINC000743043799 1058848170 /nfs/dbraw/zinc/84/81/70/1058848170.db2.gz ADTWWYLHFFOTGY-MRQPSRSCSA-N 1 0 344.499 4.395 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000743473026 1059019842 /nfs/dbraw/zinc/01/98/42/1059019842.db2.gz JIXINXQLTORYSO-RBUKOAKNSA-N 1 0 349.478 4.289 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(Br)cc1F)c1ccc(C#N)cc1 ZINC000743473470 1059023898 /nfs/dbraw/zinc/02/38/98/1059023898.db2.gz ASYKFBUEJFOKJE-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3)c1cccc(C#N)c1 ZINC000743492753 1059030734 /nfs/dbraw/zinc/03/07/34/1059030734.db2.gz SCIMPTNDOHIZSX-AWEZNQCLSA-N 1 0 344.414 4.004 20 30 EIEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743869126 1059179490 /nfs/dbraw/zinc/17/94/90/1059179490.db2.gz LSCYMGCTQGEDOK-HZPDHXFCSA-N 1 0 338.904 4.348 20 30 EIEDRO COCC[N@H+](CCCOc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000746149855 1060046703 /nfs/dbraw/zinc/04/67/03/1060046703.db2.gz GLSJMXRCUCYPBA-SFHVURJKSA-N 1 0 338.451 4.037 20 30 EIEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1c(F)cccc1F ZINC000746153047 1060049855 /nfs/dbraw/zinc/04/98/55/1060049855.db2.gz OVPHELOYCYWJMU-IBGZPJMESA-N 1 0 344.405 4.028 20 30 EIEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC001205990885 1060126552 /nfs/dbraw/zinc/12/65/52/1060126552.db2.gz XBQBYTWHTKKKBJ-FZKQIMNGSA-N 1 0 346.243 4.483 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)ccc1OC ZINC000766439421 1060358969 /nfs/dbraw/zinc/35/89/69/1060358969.db2.gz QYWIHIGYJWDMJD-CYGHRXIMSA-N 1 0 330.472 4.290 20 30 EIEDRO CCCCCCCC[NH2+][C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168899206 1060494512 /nfs/dbraw/zinc/49/45/12/1060494512.db2.gz DVKBJHPUTFFPNX-IBGZPJMESA-N 1 0 346.515 4.136 20 30 EIEDRO CC1(C)C[C@H](Nc2c(F)c(F)c(C#N)c(F)c2F)C[C@@](C)(C[NH3+])C1 ZINC001169151923 1060671092 /nfs/dbraw/zinc/67/10/92/1060671092.db2.gz NMLRXJQMSGBBKT-HUTHGQBESA-N 1 0 343.368 4.070 20 30 EIEDRO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@@H]1C ZINC001169285773 1060743481 /nfs/dbraw/zinc/74/34/81/1060743481.db2.gz XVFWPEGEAVKZJK-GUYCJALGSA-N 1 0 333.863 4.051 20 30 EIEDRO O=C(OC1CCC([NH2+]CCCCCCS)CC1)c1ccccc1 ZINC001169291877 1060749506 /nfs/dbraw/zinc/74/95/06/1060749506.db2.gz BYDKMBFYDVSIGM-UHFFFAOYSA-N 1 0 335.513 4.234 20 30 EIEDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000103346933 1060899801 /nfs/dbraw/zinc/89/98/01/1060899801.db2.gz BMXGWYRJAOARQB-OAHLLOKOSA-N 1 0 326.465 4.085 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC001169717259 1060916514 /nfs/dbraw/zinc/91/65/14/1060916514.db2.gz YVQZKKYEXDFNMQ-SFHVURJKSA-N 1 0 345.364 4.040 20 30 EIEDRO C=CC[C@H]1[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)CCCC1(C)C ZINC001169845477 1060996198 /nfs/dbraw/zinc/99/61/98/1060996198.db2.gz VDSDSGZBHLANRE-QGZVFWFLSA-N 1 0 336.426 4.360 20 30 EIEDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc1 ZINC001169855132 1061000175 /nfs/dbraw/zinc/00/01/75/1061000175.db2.gz XHMTXXHOLJSOBH-CRAIPNDOSA-N 1 0 335.407 4.153 20 30 EIEDRO CC[N@H+]1CC=C(c2cnc(NC3=CC(=O)CC(C)(C)C3)c(C)c2)CC1 ZINC001169947012 1061049774 /nfs/dbraw/zinc/04/97/74/1061049774.db2.gz QWPGUMGAHZCPPT-UHFFFAOYSA-N 1 0 339.483 4.184 20 30 EIEDRO C#CCCC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000766895537 1061056859 /nfs/dbraw/zinc/05/68/59/1061056859.db2.gz QCGMCASYCSDALO-HXUWFJFHSA-N 1 0 341.476 4.126 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1nc(Cl)c(C#N)s1)c1ccsc1 ZINC000804350658 1061177654 /nfs/dbraw/zinc/17/76/54/1061177654.db2.gz QOWLNGFIJOYGAG-LLVKDONJSA-N 1 0 340.905 4.225 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1nc(Cl)c(C#N)s1)c1ccsc1 ZINC000804350659 1061179028 /nfs/dbraw/zinc/17/90/28/1061179028.db2.gz QOWLNGFIJOYGAG-NSHDSACASA-N 1 0 340.905 4.225 20 30 EIEDRO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000137087447 1032069318 /nfs/dbraw/zinc/06/93/18/1032069318.db2.gz LQGLCVMOKMJEHC-DNVCBOLYSA-N 1 0 340.423 4.054 20 30 EIEDRO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCCC1 ZINC000449933459 1032136630 /nfs/dbraw/zinc/13/66/30/1032136630.db2.gz BHAPTQNTQYIRRG-FUHWJXTLSA-N 1 0 346.540 4.384 20 30 EIEDRO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000450000158 1032189355 /nfs/dbraw/zinc/18/93/55/1032189355.db2.gz RPVBUYQGVXAWAS-FQEVSTJZSA-N 1 0 340.511 4.103 20 30 EIEDRO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237716200 1032236910 /nfs/dbraw/zinc/23/69/10/1032236910.db2.gz MORNXSDNOVTIDJ-UHFFFAOYSA-N 1 0 347.462 4.491 20 30 EIEDRO Cc1cnc([C@@H]2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)s1 ZINC000360078881 1032239286 /nfs/dbraw/zinc/23/92/86/1032239286.db2.gz YRTBNDIEOUPQNG-WMLDXEAASA-N 1 0 341.480 4.122 20 30 EIEDRO Cc1ncc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)s1 ZINC000105448628 1032242273 /nfs/dbraw/zinc/24/22/73/1032242273.db2.gz VWZXKNYKUCAHPH-UHFFFAOYSA-N 1 0 349.459 4.192 20 30 EIEDRO C=C(C)CCc1noc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000508621708 1032270952 /nfs/dbraw/zinc/27/09/52/1032270952.db2.gz VHTUVDTWGILLBW-INIZCTEOSA-N 1 0 329.419 4.097 20 30 EIEDRO Cc1cc(C[N@H+](C)CCCCC#N)cc(C)c1OCC(F)(F)F ZINC000102397692 1032416442 /nfs/dbraw/zinc/41/64/42/1032416442.db2.gz VUKHOEGTFREKIN-UHFFFAOYSA-N 1 0 328.378 4.370 20 30 EIEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000120800473 1032444074 /nfs/dbraw/zinc/44/40/74/1032444074.db2.gz HWGBQGIVFHUFPD-UHFFFAOYSA-N 1 0 328.378 4.185 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000925261347 1032496803 /nfs/dbraw/zinc/49/68/03/1032496803.db2.gz ICMLFMUBHUYJDX-OAHLLOKOSA-N 1 0 345.487 4.494 20 30 EIEDRO COCc1ccc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000529641087 1032502205 /nfs/dbraw/zinc/50/22/05/1032502205.db2.gz BJPRYNFSXBXCIW-IEBWSBKVSA-N 1 0 349.478 4.027 20 30 EIEDRO COCc1ccc(NCc2[nH+]c(C(C)C)n3ccccc23)cc1C#N ZINC000529644565 1032503310 /nfs/dbraw/zinc/50/33/10/1032503310.db2.gz OYBMZQQOQKQNTR-UHFFFAOYSA-N 1 0 334.423 4.088 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000245937091 1032563414 /nfs/dbraw/zinc/56/34/14/1032563414.db2.gz AHDQXSYVDIRTKL-IERDGZPVSA-N 1 0 336.435 4.323 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000181032653 1032639644 /nfs/dbraw/zinc/63/96/44/1032639644.db2.gz RMZXXDFBLRDZTF-AUUYWEPGSA-N 1 0 340.398 4.120 20 30 EIEDRO CC[C@H](C)[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000533369171 1032706525 /nfs/dbraw/zinc/70/65/25/1032706525.db2.gz VEQJAILNIRWIML-INIZCTEOSA-N 1 0 338.451 4.376 20 30 EIEDRO N#Cc1ccc(CNCc2ccnc(OC3CCCCC3)c2)c(F)c1 ZINC000533449307 1032763948 /nfs/dbraw/zinc/76/39/48/1032763948.db2.gz YDNWXCTYQOXXQG-UHFFFAOYSA-N 1 0 339.414 4.094 20 30 EIEDRO C=CC[C@@H](C)[NH2+]Cc1cc(OC)c(OCc2ccccc2)c(OC)c1 ZINC000116927140 1018824961 /nfs/dbraw/zinc/82/49/61/1018824961.db2.gz BXHUODGHXYMXOO-MRXNPFEDSA-N 1 0 341.451 4.337 20 30 EIEDRO COc1ccc(C(=O)C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000186999659 1019144978 /nfs/dbraw/zinc/14/49/78/1019144978.db2.gz ZKYCATIKAWLXQE-MRXNPFEDSA-N 1 0 348.446 4.223 20 30 EIEDRO CCCCOc1cccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000236713976 1032828216 /nfs/dbraw/zinc/82/82/16/1032828216.db2.gz SFGKCSHTYFXNKG-QGZVFWFLSA-N 1 0 338.451 4.446 20 30 EIEDRO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cccc(Br)c23)CC1 ZINC001139966164 1019684684 /nfs/dbraw/zinc/68/46/84/1019684684.db2.gz NUYGHYIGEZOFJT-GFCCVEGCSA-N 1 0 332.245 4.056 20 30 EIEDRO COc1cc(C[NH2+]CCCCC#N)ccc1OCc1ccc(F)cc1 ZINC000237139848 1032847657 /nfs/dbraw/zinc/84/76/57/1032847657.db2.gz WWLOWZXZGGUUSY-UHFFFAOYSA-N 1 0 342.414 4.197 20 30 EIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000339660299 1019784534 /nfs/dbraw/zinc/78/45/34/1019784534.db2.gz WVJFXXUQBVEJPT-IBGZPJMESA-N 1 0 348.425 4.020 20 30 EIEDRO C[C@H](NCc1ccc(C#N)cc1F)c1nc2ccccc2n1C(F)F ZINC000547747506 1019999235 /nfs/dbraw/zinc/99/92/35/1019999235.db2.gz LTDBEDQCDDJNLN-NSHDSACASA-N 1 0 344.340 4.293 20 30 EIEDRO CCC(CC)(CC)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000471240922 1020160392 /nfs/dbraw/zinc/16/03/92/1020160392.db2.gz DFGARWGKPZXMMZ-UHFFFAOYSA-N 1 0 347.528 4.386 20 30 EIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCc3ccccc32)c(-c2ccccc2)n1 ZINC000237832871 1032885616 /nfs/dbraw/zinc/88/56/16/1032885616.db2.gz QTUHXAMBZRPOLW-OAQYLSRUSA-N 1 0 342.446 4.241 20 30 EIEDRO C=CCCCCCCCC[NH+]1C[C@H]2CN(C(=O)c3ccco3)C[C@@H]2C1 ZINC001209443919 1020354267 /nfs/dbraw/zinc/35/42/67/1020354267.db2.gz IFOWFFXITKWPBX-OALUTQOASA-N 1 0 344.499 4.200 20 30 EIEDRO C=CCSCC[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000510220796 1020487254 /nfs/dbraw/zinc/48/72/54/1020487254.db2.gz DJRKGTBWFFKBDB-GOSISDBHSA-N 1 0 344.455 4.014 20 30 EIEDRO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(F)cc1F ZINC000025363167 1020559097 /nfs/dbraw/zinc/55/90/97/1020559097.db2.gz ABZAKQHWGUOLPY-CQSZACIVSA-N 1 0 329.394 4.165 20 30 EIEDRO C=CC[N@@H+](CCOc1ccc(F)cc1Cl)Cc1cccc(C#N)c1 ZINC001167251180 1020671115 /nfs/dbraw/zinc/67/11/15/1020671115.db2.gz BVEHQVOTRLGIBN-UHFFFAOYSA-N 1 0 344.817 4.418 20 30 EIEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000138527676 1020691345 /nfs/dbraw/zinc/69/13/45/1020691345.db2.gz ABLUOUVCLKDVII-IFMALSPDSA-N 1 0 349.478 4.031 20 30 EIEDRO C=CCOc1ccc(C[N@@H+]2CCC=C(c3ccco3)C2)cc1OC ZINC000348633261 1020781269 /nfs/dbraw/zinc/78/12/69/1020781269.db2.gz JXPLSSCUMYGIHN-UHFFFAOYSA-N 1 0 325.408 4.142 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CSCc3ccccc32)c1 ZINC000608861111 1020895916 /nfs/dbraw/zinc/89/59/16/1020895916.db2.gz TXUGTPWJLJAHMQ-HXUWFJFHSA-N 1 0 338.476 4.447 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3Br)s1 ZINC000176964553 1020941666 /nfs/dbraw/zinc/94/16/66/1020941666.db2.gz OTCHRMXMDPELEL-HNNXBMFYSA-N 1 0 333.254 4.159 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000177554079 1020986181 /nfs/dbraw/zinc/98/61/81/1020986181.db2.gz IPIPANGVBWEWFH-KRWDZBQOSA-N 1 0 337.467 4.431 20 30 EIEDRO N#CCCC[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000340437985 1021024219 /nfs/dbraw/zinc/02/42/19/1021024219.db2.gz XMHPBMRJKPCKDW-QFIPXVFZSA-N 1 0 348.494 4.071 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c(C(F)(F)F)c1 ZINC000580020152 1021148657 /nfs/dbraw/zinc/14/86/57/1021148657.db2.gz DSMIDFWGJKIIPH-KRWDZBQOSA-N 1 0 345.368 4.263 20 30 EIEDRO CC(=NNc1ccccc1Cl)c1ccc(OCC[NH+](C)C)cc1 ZINC000748131255 1021225070 /nfs/dbraw/zinc/22/50/70/1021225070.db2.gz JAICBRMPAKYJFT-UHFFFAOYSA-N 1 0 331.847 4.117 20 30 EIEDRO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610346073 1021344422 /nfs/dbraw/zinc/34/44/22/1021344422.db2.gz JUWFNDKFNDZOJI-SJORKVTESA-N 1 0 335.451 4.161 20 30 EIEDRO C=C(C)C[N@@H+](CCCc1cccc(OC)c1)Cc1cnn(C(C)C)c1 ZINC000512517224 1032972293 /nfs/dbraw/zinc/97/22/93/1032972293.db2.gz SAXJDZUSIBKXOA-UHFFFAOYSA-N 1 0 341.499 4.484 20 30 EIEDRO N#Cc1c(Cl)cccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000610350022 1021371943 /nfs/dbraw/zinc/37/19/43/1021371943.db2.gz YPKMGYUDZMCAET-UHFFFAOYSA-N 1 0 325.843 4.420 20 30 EIEDRO C=CCOc1c(Cl)cc(CN2CC(CC(F)F)C2)cc1OC ZINC000628318972 1021391167 /nfs/dbraw/zinc/39/11/67/1021391167.db2.gz CVJDYLHVEABTJU-UHFFFAOYSA-N 1 0 331.790 4.000 20 30 EIEDRO CCn1ncc2c1CCC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000376085525 1021393550 /nfs/dbraw/zinc/39/35/50/1021393550.db2.gz WENRAWGHYLGUKK-SJKOYZFVSA-N 1 0 328.847 4.156 20 30 EIEDRO N#Cc1csc(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)c1 ZINC000177684920 1021442038 /nfs/dbraw/zinc/44/20/38/1021442038.db2.gz FAKAJAZKMDDHTQ-UHFFFAOYSA-N 1 0 339.395 4.236 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000926708018 1021458011 /nfs/dbraw/zinc/45/80/11/1021458011.db2.gz WZVAJMOBXANZHG-NVXWUHKLSA-N 1 0 349.519 4.084 20 30 EIEDRO C=CCCC1(CNC(=O)C[C@@H](n2ccnc2)C(F)(F)F)CCCC1 ZINC000636159241 1021467967 /nfs/dbraw/zinc/46/79/67/1021467967.db2.gz DKCFDHBKERQCJV-CQSZACIVSA-N 1 0 343.393 4.019 20 30 EIEDRO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OCc2ccccn2)c1 ZINC000180048883 1021484920 /nfs/dbraw/zinc/48/49/20/1021484920.db2.gz GTSMNVTYOCEPJW-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000471526034 1021540340 /nfs/dbraw/zinc/54/03/40/1021540340.db2.gz BWGATZQTRKSLEU-MRXNPFEDSA-N 1 0 333.501 4.239 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[NH+]3CCC(C4CCCC4)CC3)o2)c1 ZINC000610370771 1021549196 /nfs/dbraw/zinc/54/91/96/1021549196.db2.gz HDJHHXUXPNDXKM-UHFFFAOYSA-N 1 0 336.439 4.010 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000177743835 1021631904 /nfs/dbraw/zinc/63/19/04/1021631904.db2.gz DGCXZWCTGNKNPP-FCHUYYIVSA-N 1 0 346.405 4.110 20 30 EIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1cc(F)ccc1OC ZINC000512516539 1032991608 /nfs/dbraw/zinc/99/16/08/1032991608.db2.gz HVOJHHORQRHAEL-UHFFFAOYSA-N 1 0 331.435 4.190 20 30 EIEDRO COc1ccccc1[C@H](CNc1cccc(C(F)F)c1C#N)[NH+](C)C ZINC000579977902 1021667952 /nfs/dbraw/zinc/66/79/52/1021667952.db2.gz LKWQAVBKMZVEFD-KRWDZBQOSA-N 1 0 345.393 4.219 20 30 EIEDRO CC[C@@H](C)[C@H](C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC001167355938 1021672115 /nfs/dbraw/zinc/67/21/15/1021672115.db2.gz FHFDBTCOBSLRMC-KGLIPLIRSA-N 1 0 347.890 4.439 20 30 EIEDRO C[C@H]1c2ccccc2CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180089899 1021711483 /nfs/dbraw/zinc/71/14/83/1021711483.db2.gz YEOQGOVVJPIXQZ-INIZCTEOSA-N 1 0 342.446 4.078 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000613242569 1021826636 /nfs/dbraw/zinc/82/66/36/1021826636.db2.gz DQVDQUDEFUAUPB-HJNYFJLDSA-N 1 0 332.447 4.446 20 30 EIEDRO Cc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1C ZINC000376278927 1021983003 /nfs/dbraw/zinc/98/30/03/1021983003.db2.gz BOXMCRCLFCHBSW-KRWDZBQOSA-N 1 0 344.462 4.426 20 30 EIEDRO COc1cc(C[NH+]2[C@H](C)C[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000548096883 1022025519 /nfs/dbraw/zinc/02/55/19/1022025519.db2.gz RTXHMNDNJXFZND-HZPDHXFCSA-N 1 0 336.435 4.129 20 30 EIEDRO CC[C@H]([NH2+][C@H](COC)c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000278820840 1022062268 /nfs/dbraw/zinc/06/22/68/1022062268.db2.gz SMFAWIVZDQBNAA-RBUKOAKNSA-N 1 0 330.378 4.265 20 30 EIEDRO N#Cc1ccc(CN[C@H](c2ccncc2)c2cc(F)ccc2F)s1 ZINC000377986653 1022189845 /nfs/dbraw/zinc/18/98/45/1022189845.db2.gz APMUCXNTHBREJY-GOSISDBHSA-N 1 0 341.386 4.172 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cccc(-c2nccn2C)c1)c1ccc(C#N)cc1 ZINC000365741240 1022194564 /nfs/dbraw/zinc/19/45/64/1022194564.db2.gz ZWIZFEKYJGQWDH-HXUWFJFHSA-N 1 0 330.435 4.200 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cn(C)nc2C2CCCCC2)cc1 ZINC000512532675 1033039237 /nfs/dbraw/zinc/03/92/37/1033039237.db2.gz UBAGLAPVGHGLFZ-UHFFFAOYSA-N 1 0 339.483 4.322 20 30 EIEDRO COc1ccc(C[NH2+]C/C=C\c2ccccc2)cc1OCCCC#N ZINC000255626592 1022253344 /nfs/dbraw/zinc/25/33/44/1022253344.db2.gz QUADEJFNDKIXRA-YFHOEESVSA-N 1 0 336.435 4.181 20 30 EIEDRO N#Cc1cccc(C[NH2+]C2CCC(O)(c3cccc(Cl)c3)CC2)c1 ZINC000376365493 1022328605 /nfs/dbraw/zinc/32/86/05/1022328605.db2.gz FELGMMFMUVYPTR-UHFFFAOYSA-N 1 0 340.854 4.132 20 30 EIEDRO C=C[C@@](C)(CC)C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000187875440 1022335930 /nfs/dbraw/zinc/33/59/30/1022335930.db2.gz SKZNUJZXOZQYPP-IBGZPJMESA-N 1 0 332.513 4.085 20 30 EIEDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1F ZINC000181574001 1022379708 /nfs/dbraw/zinc/37/97/08/1022379708.db2.gz AKRUQDODNOSHOK-AWEZNQCLSA-N 1 0 334.398 4.042 20 30 EIEDRO CS[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481111677 1022456105 /nfs/dbraw/zinc/45/61/05/1022456105.db2.gz QOWHTTVDBYSILI-AWEZNQCLSA-N 1 0 339.302 4.038 20 30 EIEDRO CS[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481111679 1022467396 /nfs/dbraw/zinc/46/73/96/1022467396.db2.gz QOWHTTVDBYSILI-CQSZACIVSA-N 1 0 339.302 4.038 20 30 EIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1(O)CCCC1 ZINC000472588993 1022572389 /nfs/dbraw/zinc/57/23/89/1022572389.db2.gz MEMMOLFXUKJBKZ-UHFFFAOYSA-N 1 0 348.490 4.123 20 30 EIEDRO C[N@H+](CCCC#N)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000102696921 1022624439 /nfs/dbraw/zinc/62/44/39/1022624439.db2.gz JTPXGELLEMDTCE-UHFFFAOYSA-N 1 0 336.464 4.336 20 30 EIEDRO C=CCCC(C)(C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000659020798 1022659267 /nfs/dbraw/zinc/65/92/67/1022659267.db2.gz AOWPIFGFPWLWMC-UHFFFAOYSA-N 1 0 329.366 4.030 20 30 EIEDRO CCC[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000193042054 1022687560 /nfs/dbraw/zinc/68/75/60/1022687560.db2.gz FDLDKYHNLVHSQR-FQEVSTJZSA-N 1 0 335.451 4.064 20 30 EIEDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000181925061 1022741673 /nfs/dbraw/zinc/74/16/73/1022741673.db2.gz DRNUFDNRRUEJEU-INIZCTEOSA-N 1 0 338.451 4.226 20 30 EIEDRO CCCOc1cccc(CC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000182041093 1022758300 /nfs/dbraw/zinc/75/83/00/1022758300.db2.gz RNIGPNNAVCTZPD-KRWDZBQOSA-N 1 0 338.451 4.271 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000549077605 1022769790 /nfs/dbraw/zinc/76/97/90/1022769790.db2.gz BFSBYMGHILAZOH-KRWDZBQOSA-N 1 0 328.362 4.039 20 30 EIEDRO C=C[C@](C)(CC)c1nc(-c2ccccc2OCC[NH+](CC)CC)no1 ZINC000580976767 1022771448 /nfs/dbraw/zinc/77/14/48/1022771448.db2.gz IFYMDDBGYGZTJE-HXUWFJFHSA-N 1 0 343.471 4.311 20 30 EIEDRO C=CCC[C@@H](NC(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccccc1 ZINC000893766956 1033082962 /nfs/dbraw/zinc/08/29/62/1033082962.db2.gz FRTCROBQUUBPLP-HXUWFJFHSA-N 1 0 341.499 4.010 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OCCCC#N ZINC000064613294 1022822696 /nfs/dbraw/zinc/82/26/96/1022822696.db2.gz NKYAOBJELBJPHQ-UHFFFAOYSA-N 1 0 344.842 4.321 20 30 EIEDRO COc1ccc(C[NH2+]Cc2cccc(Cl)c2)cc1OCCCC#N ZINC000064613298 1022823304 /nfs/dbraw/zinc/82/33/04/1022823304.db2.gz GTBOOJCHILYJJI-UHFFFAOYSA-N 1 0 344.842 4.321 20 30 EIEDRO COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1OCCCC#N ZINC000064614105 1022823468 /nfs/dbraw/zinc/82/34/68/1022823468.db2.gz MDEMRWFFCJFQFY-UHFFFAOYSA-N 1 0 330.453 4.038 20 30 EIEDRO FC(F)(F)[C@H]1C[N@H+](CC2CCC(F)(F)CC2)C[C@H]1C(F)(F)F ZINC000656453374 1022921069 /nfs/dbraw/zinc/92/10/69/1022921069.db2.gz WRRIVELTXQMPDR-AOOOYVTPSA-N 1 0 339.270 4.485 20 30 EIEDRO CCOc1c(Cl)cc(CNCc2ccc(C#N)cc2F)cc1OC ZINC000236848926 1023021189 /nfs/dbraw/zinc/02/11/89/1023021189.db2.gz VRPSBWQXZNAEFX-UHFFFAOYSA-N 1 0 348.805 4.048 20 30 EIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(C)(C)C#N)C12CCCC2 ZINC000581337089 1023033940 /nfs/dbraw/zinc/03/39/40/1023033940.db2.gz UETJHBMJBPVWFY-RTBURBONSA-N 1 0 326.484 4.315 20 30 EIEDRO CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000548160151 1023085331 /nfs/dbraw/zinc/08/53/31/1023085331.db2.gz ZOFYOIMCELXFCS-GOEBONIOSA-N 1 0 333.501 4.124 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(COCC(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000181453083 1023128622 /nfs/dbraw/zinc/12/86/22/1023128622.db2.gz FPXKSYHKNKBJHU-AWEZNQCLSA-N 1 0 348.368 4.488 20 30 EIEDRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC1CCC(C#N)CC1 ZINC000497189446 1023133278 /nfs/dbraw/zinc/13/32/78/1023133278.db2.gz GYQLKVJXMMTIJP-CPFNUKBASA-N 1 0 349.519 4.084 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2cccnc2)c2ccc(F)c(F)c2)C1 ZINC000364040429 1023177938 /nfs/dbraw/zinc/17/79/38/1023177938.db2.gz JDPUZPVCQAJGMS-NRXGSXMXSA-N 1 0 327.378 4.121 20 30 EIEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC001167461302 1023210476 /nfs/dbraw/zinc/21/04/76/1023210476.db2.gz DWUZTIJLEPZDNO-MRXNPFEDSA-N 1 0 332.513 4.192 20 30 EIEDRO C#CC[NH+](CC#C)CCCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001167465009 1023260613 /nfs/dbraw/zinc/26/06/13/1023260613.db2.gz TZASJVHRMZAVCM-UHFFFAOYSA-N 1 0 337.413 4.445 20 30 EIEDRO CCOC(=O)C1(C)CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000417374623 1023287606 /nfs/dbraw/zinc/28/76/06/1023287606.db2.gz YFRHEAHFMFIBLY-MOMVYJMYSA-N 1 0 340.467 4.037 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1N(C)C ZINC000417364703 1023290206 /nfs/dbraw/zinc/29/02/06/1023290206.db2.gz LOARBXMUPHWJAN-VBKZILBWSA-N 1 0 337.442 4.492 20 30 EIEDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417395198 1023302196 /nfs/dbraw/zinc/30/21/96/1023302196.db2.gz VYHTZQDOLYZGOJ-KKSFZXQISA-N 1 0 347.462 4.251 20 30 EIEDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417395196 1023302641 /nfs/dbraw/zinc/30/26/41/1023302641.db2.gz VYHTZQDOLYZGOJ-IERDGZPVSA-N 1 0 347.462 4.251 20 30 EIEDRO COc1ccccc1-c1cnc(CNC2(c3cccc(C#N)c3)CC2)o1 ZINC000376833196 1023320559 /nfs/dbraw/zinc/32/05/59/1023320559.db2.gz QJWDVWCKKIAPIF-UHFFFAOYSA-N 1 0 345.402 4.001 20 30 EIEDRO C[C@H](NC[C@H](C#N)CCC#N)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000376865899 1023327136 /nfs/dbraw/zinc/32/71/36/1023327136.db2.gz CHWCNOZWAFUMII-WMZOPIPTSA-N 1 0 328.419 4.319 20 30 EIEDRO C[N@H+](CCOCc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000581520306 1023329086 /nfs/dbraw/zinc/32/90/86/1023329086.db2.gz QEURXRQIGKJKKM-UHFFFAOYSA-N 1 0 348.368 4.226 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)c(F)c1)c1ccc(C#N)cc1 ZINC000377078002 1023367098 /nfs/dbraw/zinc/36/70/98/1023367098.db2.gz MYIMHSKNTSXUQK-IBGZPJMESA-N 1 0 334.398 4.124 20 30 EIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccccc1 ZINC000341218229 1023389656 /nfs/dbraw/zinc/38/96/56/1023389656.db2.gz ITXUHBYMAQUYFB-XBPCWFMRSA-N 1 0 341.499 4.047 20 30 EIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000341223407 1023395861 /nfs/dbraw/zinc/39/58/61/1023395861.db2.gz UXEOYFGXKJFOAU-GOSISDBHSA-N 1 0 341.842 4.281 20 30 EIEDRO COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000565690471 1023461980 /nfs/dbraw/zinc/46/19/80/1023461980.db2.gz WDZVWBTZAQSJDL-IBGZPJMESA-N 1 0 336.435 4.088 20 30 EIEDRO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132721 1023468962 /nfs/dbraw/zinc/46/89/62/1023468962.db2.gz MKFJUBSZVOMJQN-GHTZIAJQSA-N 1 0 338.426 4.297 20 30 EIEDRO C=CCC[C@H]([NH2+]CCCC(=O)N1Cc2ccccc2C1)c1ccco1 ZINC000276415975 1023473726 /nfs/dbraw/zinc/47/37/26/1023473726.db2.gz GIBXGSCQRWFRLK-IBGZPJMESA-N 1 0 338.451 4.199 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H](c1ccccc1)N(C)C ZINC000613664920 1023475310 /nfs/dbraw/zinc/47/53/10/1023475310.db2.gz XBJKMQWKEBKIIH-KNXBSLHKSA-N 1 0 333.479 4.217 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H](C)Cc2ccccc2C)cc(OC)c1O ZINC000500119238 1023515810 /nfs/dbraw/zinc/51/58/10/1023515810.db2.gz FBISDEAZRBKKFN-INIZCTEOSA-N 1 0 325.452 4.159 20 30 EIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)CCC#N)CC2)cc1 ZINC000472763568 1023522531 /nfs/dbraw/zinc/52/25/31/1023522531.db2.gz ATYXWYSECGSMMK-KRWDZBQOSA-N 1 0 326.484 4.472 20 30 EIEDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000418136809 1023553378 /nfs/dbraw/zinc/55/33/78/1023553378.db2.gz AWTJMWLMMCBQQW-SFHVURJKSA-N 1 0 332.407 4.017 20 30 EIEDRO N#CC1(C[NH2+]C2CC(c3ccc(Br)cc3F)C2)CCC1 ZINC000418144340 1023557314 /nfs/dbraw/zinc/55/73/14/1023557314.db2.gz SWDBBGSYXZFGQS-UHFFFAOYSA-N 1 0 337.236 4.118 20 30 EIEDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000418140151 1023561212 /nfs/dbraw/zinc/56/12/12/1023561212.db2.gz FJWHCZHUNRLUBU-HXUWFJFHSA-N 1 0 336.483 4.294 20 30 EIEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1cc(C#N)cs1 ZINC000236760518 1023581412 /nfs/dbraw/zinc/58/14/12/1023581412.db2.gz HITFZBDCCRICIH-UHFFFAOYSA-N 1 0 349.297 4.493 20 30 EIEDRO COc1ccc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)cc1 ZINC000480781969 1023649091 /nfs/dbraw/zinc/64/90/91/1023649091.db2.gz WJVHYZVOHUUAMA-INIZCTEOSA-N 1 0 326.827 4.210 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415579797 1023705371 /nfs/dbraw/zinc/70/53/71/1023705371.db2.gz KQFJQBHCFQDMEW-WBVHZDCISA-N 1 0 329.488 4.178 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000415581612 1023706676 /nfs/dbraw/zinc/70/66/76/1023706676.db2.gz NQBREECAZAYKLC-QAPCUYQASA-N 1 0 329.488 4.130 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000415581358 1023706695 /nfs/dbraw/zinc/70/66/95/1023706695.db2.gz NJOKJUCHSNELNA-UHFFFAOYSA-N 1 0 343.515 4.392 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000390603288 1023714470 /nfs/dbraw/zinc/71/44/70/1023714470.db2.gz ZKQZOQMUTBRMQT-OAQYLSRUSA-N 1 0 336.479 4.006 20 30 EIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCc2ccccc2C(F)(F)F)cc1 ZINC000728711754 1023760397 /nfs/dbraw/zinc/76/03/97/1023760397.db2.gz PSMQHXSCKXWDPE-AWEZNQCLSA-N 1 0 348.368 4.329 20 30 EIEDRO CCSCCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000500393060 1023781984 /nfs/dbraw/zinc/78/19/84/1023781984.db2.gz AGDPRBHWMPVDBS-UHFFFAOYSA-N 1 0 340.492 4.370 20 30 EIEDRO C=CCN1CCC([NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000581864044 1023782088 /nfs/dbraw/zinc/78/20/88/1023782088.db2.gz FLXSRSBCLGLEDZ-QFIPXVFZSA-N 1 0 338.470 4.350 20 30 EIEDRO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511713918 1023836492 /nfs/dbraw/zinc/83/64/92/1023836492.db2.gz RBMHKYGVXQHZMN-FQEVSTJZSA-N 1 0 340.511 4.172 20 30 EIEDRO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4cccc(C#N)c4)CC3)c2c1 ZINC000047257228 1023877830 /nfs/dbraw/zinc/87/78/30/1023877830.db2.gz QXOJYPRRKMQRBH-UHFFFAOYSA-N 1 0 343.430 4.337 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000511799194 1023890922 /nfs/dbraw/zinc/89/09/22/1023890922.db2.gz FSFDEABOGLUBQT-XOKHGSTOSA-N 1 0 335.373 4.375 20 30 EIEDRO CC(C)(C)C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000341589709 1023897765 /nfs/dbraw/zinc/89/77/65/1023897765.db2.gz GIACNMYNWWZNEN-INIZCTEOSA-N 1 0 341.480 4.325 20 30 EIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]CCCSCC#N)cc2)cs1 ZINC000341591872 1023899946 /nfs/dbraw/zinc/89/99/46/1023899946.db2.gz GMGWOHBZCGHRSM-ZDUSSCGKSA-N 1 0 331.510 4.416 20 30 EIEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1cc(F)cc(Br)c1 ZINC000430746372 1024002683 /nfs/dbraw/zinc/00/26/83/1024002683.db2.gz QBQPBJJRZHJGEE-AWEZNQCLSA-N 1 0 325.225 4.323 20 30 EIEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000430745258 1024004081 /nfs/dbraw/zinc/00/40/81/1024004081.db2.gz WLAVAVILNKKOEO-RDJZCZTQSA-N 1 0 346.446 4.118 20 30 EIEDRO CC(C)Oc1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)cc1 ZINC000236719372 1024040567 /nfs/dbraw/zinc/04/05/67/1024040567.db2.gz AVNYVECVFPZXAB-UHFFFAOYSA-N 1 0 338.451 4.446 20 30 EIEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000651682083 1024193331 /nfs/dbraw/zinc/19/33/31/1024193331.db2.gz LOAMRADFTMXKRR-LPHOPBHVSA-N 1 0 338.451 4.044 20 30 EIEDRO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H]3C3CCCCC3)o2)c1 ZINC000075641814 1024196497 /nfs/dbraw/zinc/19/64/97/1024196497.db2.gz UJDWDRVUZPLWAY-SFHVURJKSA-N 1 0 336.439 4.153 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)C1 ZINC000651684235 1024197067 /nfs/dbraw/zinc/19/70/67/1024197067.db2.gz DRFYMRNQOAOCAH-QFBILLFUSA-N 1 0 335.451 4.168 20 30 EIEDRO COc1ccc(C[C@H]([NH2+]CCCCC#N)c2ccccc2)cc1OC ZINC000341662807 1024243163 /nfs/dbraw/zinc/24/31/63/1024243163.db2.gz XKFWHXTZQMRASR-IBGZPJMESA-N 1 0 338.451 4.271 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1Sc2ccccc2NC1=O ZINC000661116735 1024247710 /nfs/dbraw/zinc/24/77/10/1024247710.db2.gz ZRCUWSDPULRNRV-RVKKMQEKSA-N 1 0 330.497 4.214 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000661117148 1024251641 /nfs/dbraw/zinc/25/16/41/1024251641.db2.gz PESBYPPDWZIAPS-HIFRSBDPSA-N 1 0 337.423 4.306 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)C1 ZINC000651716663 1024253956 /nfs/dbraw/zinc/25/39/56/1024253956.db2.gz DRHJMCMZHRNCTH-SFHLNBCPSA-N 1 0 342.527 4.221 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)C1 ZINC000651716661 1024254324 /nfs/dbraw/zinc/25/43/24/1024254324.db2.gz DRHJMCMZHRNCTH-QKNQBKEWSA-N 1 0 342.527 4.221 20 30 EIEDRO C=CCCCC[NH2+][C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000471889241 1024299443 /nfs/dbraw/zinc/29/94/43/1024299443.db2.gz WHNWBWNRYIENIW-HXUWFJFHSA-N 1 0 338.451 4.321 20 30 EIEDRO C=CCOc1cccc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000510728125 1024354921 /nfs/dbraw/zinc/35/49/21/1024354921.db2.gz FBRKRYSOZMOQRZ-UHFFFAOYSA-N 1 0 345.487 4.028 20 30 EIEDRO Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cn1 ZINC000066905353 1024386651 /nfs/dbraw/zinc/38/66/51/1024386651.db2.gz KGQPAESMIAKYAS-UHFFFAOYSA-N 1 0 343.430 4.131 20 30 EIEDRO Cc1ccc(C#N)c(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000341742241 1024546897 /nfs/dbraw/zinc/54/68/97/1024546897.db2.gz LIAHEWTXCQBACV-UHFFFAOYSA-N 1 0 334.467 4.106 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc2c(c1)OCCO2 ZINC000341758434 1024616134 /nfs/dbraw/zinc/61/61/34/1024616134.db2.gz PJOLCFNEMLVTRR-VQTJNVASSA-N 1 0 348.446 4.448 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(-n2ccnc2)cc1 ZINC000341758442 1024616993 /nfs/dbraw/zinc/61/69/93/1024616993.db2.gz PNEYTHWXYKGMEI-AOMKIAJQSA-N 1 0 342.446 4.472 20 30 EIEDRO CCOc1ccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000341759801 1024626157 /nfs/dbraw/zinc/62/61/57/1024626157.db2.gz IDRVXHHCLLJFHB-IBGZPJMESA-N 1 0 336.435 4.133 20 30 EIEDRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598619707 1024825216 /nfs/dbraw/zinc/82/52/16/1024825216.db2.gz WQGDFZXMVIZSCB-PKOBYXMFSA-N 1 0 336.907 4.188 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1Cl ZINC000341883077 1024863068 /nfs/dbraw/zinc/86/30/68/1024863068.db2.gz UMNDSTAPAVSZTK-GOSISDBHSA-N 1 0 326.827 4.387 20 30 EIEDRO COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000510978302 1024873843 /nfs/dbraw/zinc/87/38/43/1024873843.db2.gz LHCDDABYEQUUSW-ADLMAVQZSA-N 1 0 328.362 4.183 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCCC1CC[NH2+]CC1 ZINC000652599212 1024901195 /nfs/dbraw/zinc/90/11/95/1024901195.db2.gz XYDVHYYZVDKWHU-UHFFFAOYSA-N 1 0 329.488 4.050 20 30 EIEDRO COC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)c(F)c1 ZINC000341892198 1024948022 /nfs/dbraw/zinc/94/80/22/1024948022.db2.gz WGQQNMWVLCPQAY-WOJBJXKFSA-N 1 0 342.389 4.191 20 30 EIEDRO CC[C@@H](Cc1cccs1)[NH2+]CCSCc1ccccc1C#N ZINC000610804892 1024992341 /nfs/dbraw/zinc/99/23/41/1024992341.db2.gz QLZYBQXYKULQRA-KRWDZBQOSA-N 1 0 330.522 4.464 20 30 EIEDRO COCC1(C#N)CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1 ZINC000341988214 1025021621 /nfs/dbraw/zinc/02/16/21/1025021621.db2.gz HVLXCMATTQHZQH-UHFFFAOYSA-N 1 0 326.465 4.167 20 30 EIEDRO CC(C)C[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccccc1Cl ZINC000342007245 1025034607 /nfs/dbraw/zinc/03/46/07/1025034607.db2.gz ANGPEDVXSCWNJD-MRXNPFEDSA-N 1 0 349.906 4.121 20 30 EIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610829773 1025053000 /nfs/dbraw/zinc/05/30/00/1025053000.db2.gz JUWCTSRIPBGWEE-IRXDYDNUSA-N 1 0 335.451 4.243 20 30 EIEDRO CC1CCC([N@@H+](Cc2ccc(C#N)cc2F)C[C@H]2CCCO2)CC1 ZINC000215663053 1025205843 /nfs/dbraw/zinc/20/58/43/1025205843.db2.gz KGHXMJSIKRIJEX-XUJQIHCRSA-N 1 0 330.447 4.257 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1N1CCCCC1)CC2 ZINC000568571071 1025205966 /nfs/dbraw/zinc/20/59/66/1025205966.db2.gz WZOACXNNSXXJKW-OAQYLSRUSA-N 1 0 331.463 4.326 20 30 EIEDRO CC(C)[N@H+](Cc1ccc(Br)cc1)Cc1ccnc(C#N)c1 ZINC000610991660 1025213850 /nfs/dbraw/zinc/21/38/50/1025213850.db2.gz QERKERJBMKNDRN-UHFFFAOYSA-N 1 0 344.256 4.126 20 30 EIEDRO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC001167499103 1025335658 /nfs/dbraw/zinc/33/56/58/1025335658.db2.gz BVUJKNUJEKODGR-GCJKJVERSA-N 1 0 334.463 4.453 20 30 EIEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC001167500922 1025361418 /nfs/dbraw/zinc/36/14/18/1025361418.db2.gz XQDLOEFKYUHWRD-ZBFHGGJFSA-N 1 0 347.890 4.016 20 30 EIEDRO CC(=NNc1cccc2cnccc21)c1ccc(-n2ccnc2)cc1 ZINC000728432394 1025413211 /nfs/dbraw/zinc/41/32/11/1025413211.db2.gz SIJBBONAWIXOFK-UHFFFAOYSA-N 1 0 327.391 4.257 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC(=O)N(CC)CC)c1ccc(C(F)(F)F)cc1 ZINC000342195693 1025418121 /nfs/dbraw/zinc/41/81/21/1025418121.db2.gz CLGVVKGLWYNYRP-MRXNPFEDSA-N 1 0 342.405 4.171 20 30 EIEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000538203284 1025450301 /nfs/dbraw/zinc/45/03/01/1025450301.db2.gz JXUUWJRKQVYTAD-INIZCTEOSA-N 1 0 332.513 4.038 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000511009604 1025456823 /nfs/dbraw/zinc/45/68/23/1025456823.db2.gz HBXOKOSBCJYWPC-COXVUDFISA-N 1 0 336.273 4.007 20 30 EIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000426545943 1025523042 /nfs/dbraw/zinc/52/30/42/1025523042.db2.gz TWMCRTYHRNIASG-LJQANCHMSA-N 1 0 338.451 4.210 20 30 EIEDRO N#Cc1cccc(OC2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000519201461 1025593725 /nfs/dbraw/zinc/59/37/25/1025593725.db2.gz MNKVPJDKFOQCFR-UHFFFAOYSA-N 1 0 344.817 4.394 20 30 EIEDRO CCCCCOc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1OC ZINC000066971945 1025618071 /nfs/dbraw/zinc/61/80/71/1025618071.db2.gz HJDNACJAAKADSX-UHFFFAOYSA-N 1 0 338.451 4.426 20 30 EIEDRO C=CCC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000426600435 1025732673 /nfs/dbraw/zinc/73/26/73/1025732673.db2.gz HVEXULRRTVCXBF-UYAOXDASSA-N 1 0 328.500 4.117 20 30 EIEDRO CCc1ccc(NC(=[NH2+])NCc2csc(-c3ccccc3)n2)cc1 ZINC000104158720 1025773355 /nfs/dbraw/zinc/77/33/55/1025773355.db2.gz SUIFLUHPVYCRRL-UHFFFAOYSA-N 1 0 336.464 4.299 20 30 EIEDRO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC(C)(C)CCC#N ZINC000342289142 1025790057 /nfs/dbraw/zinc/79/00/57/1025790057.db2.gz VZLNBHJMPWACRR-UHFFFAOYSA-N 1 0 330.863 4.254 20 30 EIEDRO C=CCc1cc(C[NH2+]C[C@H]2CCCC(F)(F)C2)cc(OC)c1O ZINC000500448746 1025832939 /nfs/dbraw/zinc/83/29/39/1025832939.db2.gz SHCGEZWRWDGUID-ZDUSSCGKSA-N 1 0 325.399 4.044 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@H](CC3CC3)c3ccccc3)CC2)nc1 ZINC000585794431 1025841648 /nfs/dbraw/zinc/84/16/48/1025841648.db2.gz UVJRKCZMLHZENE-OAQYLSRUSA-N 1 0 346.478 4.053 20 30 EIEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)C1 ZINC000472140234 1025979230 /nfs/dbraw/zinc/97/92/30/1025979230.db2.gz MWBDFTJJXAFOFJ-HYVNUMGLSA-N 1 0 337.492 4.197 20 30 EIEDRO C[C@H]([NH2+]Cc1cccc(COCC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000182055590 1026021973 /nfs/dbraw/zinc/02/19/73/1026021973.db2.gz GZJNETMHVCIZFO-AWEZNQCLSA-N 1 0 348.368 4.488 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000048817891 1026070473 /nfs/dbraw/zinc/07/04/73/1026070473.db2.gz AMXOLVLLRLIKDD-UHFFFAOYSA-N 1 0 332.241 4.304 20 30 EIEDRO N#Cc1cccc(C2([NH2+]Cc3cnc(-c4ccccc4)s3)CC2)c1 ZINC000551227058 1026096558 /nfs/dbraw/zinc/09/65/58/1026096558.db2.gz ZWGSXACNGMCURP-UHFFFAOYSA-N 1 0 331.444 4.461 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000550100600 1026096748 /nfs/dbraw/zinc/09/67/48/1026096748.db2.gz JUMBRVLYXKEQBQ-XJKSGUPXSA-N 1 0 338.373 4.457 20 30 EIEDRO C[N@H+](CCC1CCCCC1)CC(=O)Nc1ccccc1SCC#N ZINC000101566002 1026175030 /nfs/dbraw/zinc/17/50/30/1026175030.db2.gz APEFHUGGFFWKDC-UHFFFAOYSA-N 1 0 345.512 4.143 20 30 EIEDRO C=CCCn1cc(C[NH2+]C[C@H](C)c2c(Cl)cccc2Cl)nn1 ZINC000657342721 1026188105 /nfs/dbraw/zinc/18/81/05/1026188105.db2.gz RSYHFKKGABAZGN-LBPRGKRZSA-N 1 0 339.270 4.054 20 30 EIEDRO OCC[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000512176079 1026234424 /nfs/dbraw/zinc/23/44/24/1026234424.db2.gz BKMZKCQBWFULQF-SFHVURJKSA-N 1 0 334.246 4.058 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CCC2(CCCCC2)O1 ZINC000512188301 1026293863 /nfs/dbraw/zinc/29/38/63/1026293863.db2.gz YBWNPILLYOCCPA-GOSISDBHSA-N 1 0 333.472 4.032 20 30 EIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)cc1 ZINC000550275725 1026468274 /nfs/dbraw/zinc/46/82/74/1026468274.db2.gz DEQVYBXAZUECHQ-UHFFFAOYSA-N 1 0 337.341 4.282 20 30 EIEDRO COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(C#N)cc3F)c2c1 ZINC000611587767 1026484519 /nfs/dbraw/zinc/48/45/19/1026484519.db2.gz KWZDHTHHAUFXIK-ZDUSSCGKSA-N 1 0 337.398 4.081 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779950 1026574415 /nfs/dbraw/zinc/57/44/15/1026574415.db2.gz XYEGPCOCRAPGQP-PGRDOPGGSA-N 1 0 345.490 4.406 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(COCc3ccco3)c2)cc1 ZINC000048711877 1026575664 /nfs/dbraw/zinc/57/56/64/1026575664.db2.gz VJBPTQBNPPXTPV-UHFFFAOYSA-N 1 0 332.403 4.158 20 30 EIEDRO C=CCC1([NH2+]Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CCCCC1 ZINC000625935967 1026586979 /nfs/dbraw/zinc/58/69/79/1026586979.db2.gz UZOKXNQFATYFNA-UHFFFAOYSA-N 1 0 331.847 4.357 20 30 EIEDRO C=CCC1([NH2+]Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CCCCC1 ZINC000625935732 1026587715 /nfs/dbraw/zinc/58/77/15/1026587715.db2.gz LBTJKMWRZWDKDA-UHFFFAOYSA-N 1 0 331.847 4.357 20 30 EIEDRO C=CC[C@H](C(=O)N1CCC(C[N@@H+](C)CCCC)CC1)c1ccccc1 ZINC000426849497 1026589313 /nfs/dbraw/zinc/58/93/13/1026589313.db2.gz VAHKQBSVBFWOLV-NRFANRHFSA-N 1 0 342.527 4.317 20 30 EIEDRO N#Cc1c(F)cccc1Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000507014365 1026589473 /nfs/dbraw/zinc/58/94/73/1026589473.db2.gz ISKWGFJPNNJYDV-UHFFFAOYSA-N 1 0 341.455 4.032 20 30 EIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000582436386 1026629442 /nfs/dbraw/zinc/62/94/42/1026629442.db2.gz NZHWQOMARQQFCV-IOMROCGXSA-N 1 0 338.426 4.138 20 30 EIEDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000507145708 1026662298 /nfs/dbraw/zinc/66/22/98/1026662298.db2.gz UVSRFEHRVXQMPS-FQEVSTJZSA-N 1 0 336.483 4.474 20 30 EIEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512313365 1026682623 /nfs/dbraw/zinc/68/26/23/1026682623.db2.gz IPYIMLBUPBYWHI-HLLBOEOZSA-N 1 0 329.463 4.001 20 30 EIEDRO CC(C)[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000507172860 1026684723 /nfs/dbraw/zinc/68/47/23/1026684723.db2.gz IZGCVVGWQHMSBM-UHFFFAOYSA-N 1 0 348.425 4.294 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCc1ccncc1 ZINC000507212827 1026703575 /nfs/dbraw/zinc/70/35/75/1026703575.db2.gz PANCSSUZPAJGCJ-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000015372018 1026712498 /nfs/dbraw/zinc/71/24/98/1026712498.db2.gz VBVAAFFJGRSWOS-IBGZPJMESA-N 1 0 349.478 4.243 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000507250982 1026717670 /nfs/dbraw/zinc/71/76/70/1026717670.db2.gz DWYPVVKZQBAMAL-UHFFFAOYSA-N 1 0 336.769 4.445 20 30 EIEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000507258403 1026721599 /nfs/dbraw/zinc/72/15/99/1026721599.db2.gz OUAYPBQGUMYCSH-UHFFFAOYSA-N 1 0 336.479 4.210 20 30 EIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000562082377 1026760816 /nfs/dbraw/zinc/76/08/16/1026760816.db2.gz GXUGHLRGGWYMFN-FSSWDIPSSA-N 1 0 332.447 4.364 20 30 EIEDRO C=C(C)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512343708 1026761831 /nfs/dbraw/zinc/76/18/31/1026761831.db2.gz QTPYKNUMWATTAQ-SNVBAGLBSA-N 1 0 334.769 4.242 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657454828 1026772064 /nfs/dbraw/zinc/77/20/64/1026772064.db2.gz MPJLARBYXYQFAO-ROUUACIJSA-N 1 0 328.481 4.189 20 30 EIEDRO COC(=O)c1sc(Nc2cc[nH+]c(C(C)(C)C)c2)c(C#N)c1C ZINC001213160778 1026796541 /nfs/dbraw/zinc/79/65/41/1026796541.db2.gz KZXQGCYQSPKXIA-UHFFFAOYSA-N 1 0 329.425 4.151 20 30 EIEDRO CC[C@](C)(C#N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000507488411 1026815898 /nfs/dbraw/zinc/81/58/98/1026815898.db2.gz UUFXCHZQIANPGA-OAQYLSRUSA-N 1 0 341.499 4.007 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCCN(c2ccccc2)C1 ZINC001167587234 1026838139 /nfs/dbraw/zinc/83/81/39/1026838139.db2.gz WQGLBPZYRVYEHA-IBGZPJMESA-N 1 0 339.870 4.312 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccccc1-c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000375719724 1026848622 /nfs/dbraw/zinc/84/86/22/1026848622.db2.gz OQGDFAUUESPBRD-NRFANRHFSA-N 1 0 330.435 4.200 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000507638918 1026857961 /nfs/dbraw/zinc/85/79/61/1026857961.db2.gz VFKJWPUUDZKZMV-UHFFFAOYSA-N 1 0 349.434 4.131 20 30 EIEDRO C[C@H]1CCC[C@H](C)N1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507635258 1026860384 /nfs/dbraw/zinc/86/03/84/1026860384.db2.gz IZWFNIYEHRCDQO-CDNGDFIJSA-N 1 0 339.527 4.243 20 30 EIEDRO CC(C)CC[C@@](C)(O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000507646606 1026863934 /nfs/dbraw/zinc/86/39/34/1026863934.db2.gz YEGYURBIURPHIT-NYLDSWQDSA-N 1 0 328.500 4.167 20 30 EIEDRO CN(C)C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000507642789 1026864399 /nfs/dbraw/zinc/86/43/99/1026864399.db2.gz DYDMCQZUMIHVJJ-OOMBGRCJSA-N 1 0 347.506 4.283 20 30 EIEDRO COc1ccc2cc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)ccc2c1 ZINC000519615370 1026867834 /nfs/dbraw/zinc/86/78/34/1026867834.db2.gz QQLRAQWMSHMSDX-QFIPXVFZSA-N 1 0 328.415 4.497 20 30 EIEDRO CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000128062585 1026915017 /nfs/dbraw/zinc/91/50/17/1026915017.db2.gz NWGMJULEWXHBQW-GJZGRUSLSA-N 1 0 336.435 4.131 20 30 EIEDRO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(CC#N)CC2)cc1 ZINC000611687846 1026918062 /nfs/dbraw/zinc/91/80/62/1026918062.db2.gz PBROZNBEVBFEIH-OAQYLSRUSA-N 1 0 347.462 4.301 20 30 EIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1cc(C#N)cs1 ZINC000158717274 1026930818 /nfs/dbraw/zinc/93/08/18/1026930818.db2.gz BFNYCZZJXWCCNU-INIZCTEOSA-N 1 0 335.860 4.005 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000153010904 1026938606 /nfs/dbraw/zinc/93/86/06/1026938606.db2.gz SYNKZYWOXNAXEW-LJQANCHMSA-N 1 0 326.484 4.063 20 30 EIEDRO CSCC[C@H](C)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440608248 1026970176 /nfs/dbraw/zinc/97/01/76/1026970176.db2.gz IEABXXVEQWCEJN-ZDUSSCGKSA-N 1 0 331.403 4.010 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000415578469 1026992644 /nfs/dbraw/zinc/99/26/44/1026992644.db2.gz IQUORKXIYRKTJI-KRWDZBQOSA-N 1 0 329.488 4.048 20 30 EIEDRO CSc1ccc(C[NH2+]Cc2cc(C)nc3c2CCCC3)cc1C#N ZINC000896045669 1027178182 /nfs/dbraw/zinc/17/81/82/1027178182.db2.gz KHNCGFVAPWTXPV-UHFFFAOYSA-N 1 0 337.492 4.152 20 30 EIEDRO Cc1cc(C[NH+]2CCC(OCC3CCCCC3)CC2)ccc1C#N ZINC000582761109 1027280140 /nfs/dbraw/zinc/28/01/40/1027280140.db2.gz QCZBLVKPOARFQQ-UHFFFAOYSA-N 1 0 326.484 4.428 20 30 EIEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(Cl)c(C#N)n2)[C@@H]1c1cccs1 ZINC000078338184 1027322113 /nfs/dbraw/zinc/32/21/13/1027322113.db2.gz BKDXCVPGLWLSCE-YVEFUNNKSA-N 1 0 346.887 4.163 20 30 EIEDRO C=CCC1([NH2+]Cc2cnc(-c3ccc(C)cc3)s2)CCOCC1 ZINC000657633758 1027342599 /nfs/dbraw/zinc/34/25/99/1027342599.db2.gz VYWQDUDLOIGVSI-UHFFFAOYSA-N 1 0 328.481 4.333 20 30 EIEDRO C=CCC1([NH2+]Cc2ccc(OCCC)c(OCC)c2)CCOCC1 ZINC000657632824 1027346737 /nfs/dbraw/zinc/34/67/37/1027346737.db2.gz NIWXDVOQQOWLSB-UHFFFAOYSA-N 1 0 333.472 4.089 20 30 EIEDRO Cc1cccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1C ZINC000520249327 1027360284 /nfs/dbraw/zinc/36/02/84/1027360284.db2.gz YFOXIUKUDJGHGQ-IBGZPJMESA-N 1 0 337.442 4.073 20 30 EIEDRO CC[NH+](CC)Cc1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000187824907 1027368550 /nfs/dbraw/zinc/36/85/50/1027368550.db2.gz IWPYJHCXPDPXCE-UHFFFAOYSA-N 1 0 347.462 4.070 20 30 EIEDRO C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)C1CCCCC1 ZINC000185506876 1027402578 /nfs/dbraw/zinc/40/25/78/1027402578.db2.gz UMSKGMPXBKBRTD-HUUCEWRRSA-N 1 0 338.455 4.303 20 30 EIEDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000237383700 1027433718 /nfs/dbraw/zinc/43/37/18/1027433718.db2.gz LNRMBBZQHNUHPU-MJGOQNOKSA-N 1 0 336.483 4.380 20 30 EIEDRO COc1cc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)ccc1C#N ZINC000441353317 1027473970 /nfs/dbraw/zinc/47/39/70/1027473970.db2.gz MIVASKBCJPQUAV-UHFFFAOYSA-N 1 0 344.817 4.337 20 30 EIEDRO COCc1nc(C[NH2+]CC(C)(C)CCC#N)c(-c2ccccc2)s1 ZINC000441379243 1027501628 /nfs/dbraw/zinc/50/16/28/1027501628.db2.gz JASRLSZYWORHOB-UHFFFAOYSA-N 1 0 343.496 4.376 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000840887704 1027507145 /nfs/dbraw/zinc/50/71/45/1027507145.db2.gz NGAGWYUQYDMZTQ-FXAWDEMLSA-N 1 0 349.478 4.054 20 30 EIEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000840887707 1027509985 /nfs/dbraw/zinc/50/99/85/1027509985.db2.gz NGAGWYUQYDMZTQ-YLJYHZDGSA-N 1 0 349.478 4.054 20 30 EIEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000840887706 1027510505 /nfs/dbraw/zinc/51/05/05/1027510505.db2.gz NGAGWYUQYDMZTQ-XLIONFOSSA-N 1 0 349.478 4.054 20 30 EIEDRO Cc1noc([C@H](C)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)n1 ZINC000611727880 1027523356 /nfs/dbraw/zinc/52/33/56/1027523356.db2.gz WQPWRXVJFHPKAC-KBPBESRZSA-N 1 0 332.407 4.329 20 30 EIEDRO N#CC1(c2ccc(C[N@@H+]3CCC[C@H](Cc4nccs4)C3)cc2)CC1 ZINC000896527216 1027547644 /nfs/dbraw/zinc/54/76/44/1027547644.db2.gz DDITXBPKGOACIJ-QGZVFWFLSA-N 1 0 337.492 4.153 20 30 EIEDRO Cc1ccccc1CN(C)Cc1cc(Br)ccc1C#N ZINC001141901408 1027605325 /nfs/dbraw/zinc/60/53/25/1027605325.db2.gz VHYLIYHFXVHMME-UHFFFAOYSA-N 1 0 329.241 4.261 20 30 EIEDRO NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)[C@@H]2CCCCS2)c1 ZINC000329258951 1027674339 /nfs/dbraw/zinc/67/43/39/1027674339.db2.gz AILBLVLZBRSSSL-HOTGVXAUSA-N 1 0 347.484 4.060 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CC)cc1)c1ccccc1 ZINC000347332123 1027728291 /nfs/dbraw/zinc/72/82/91/1027728291.db2.gz KXQLXSLLKNQUBN-FQEVSTJZSA-N 1 0 343.492 4.277 20 30 EIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)cc1 ZINC000282013391 1027770708 /nfs/dbraw/zinc/77/07/08/1027770708.db2.gz OPDCUGJLTHVOER-QGZVFWFLSA-N 1 0 330.472 4.225 20 30 EIEDRO C=CCCC[C@@H](C)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000091510376 1027772824 /nfs/dbraw/zinc/77/28/24/1027772824.db2.gz SNPNPEBYUHSSGY-OAHLLOKOSA-N 1 0 326.444 4.056 20 30 EIEDRO CSc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328691822 1027793955 /nfs/dbraw/zinc/79/39/55/1027793955.db2.gz IYLWODPHPRKYES-DOMZBBRYSA-N 1 0 347.484 4.016 20 30 EIEDRO Cc1noc(C(C)C)c1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000328689964 1027796544 /nfs/dbraw/zinc/79/65/44/1027796544.db2.gz DGESSBSXGARJMI-UHFFFAOYSA-N 1 0 347.503 4.457 20 30 EIEDRO CCOc1cc2c(cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C)O[C@H](C)C2 ZINC000328753403 1027803862 /nfs/dbraw/zinc/80/38/62/1027803862.db2.gz DGQIZKMAJZAKKY-HUUCEWRRSA-N 1 0 346.471 4.261 20 30 EIEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)C1 ZINC000328816916 1027810113 /nfs/dbraw/zinc/81/01/13/1027810113.db2.gz GSMAVTOSAOKHCR-HBGVWJBISA-N 1 0 347.462 4.301 20 30 EIEDRO Cc1cc([C@@H]2CCCN2CC(=O)N[C@H]2CCCc3ccccc32)on1 ZINC000328799644 1027813697 /nfs/dbraw/zinc/81/36/97/1027813697.db2.gz XSUHFNFIHJYCMS-ROUUACIJSA-N 1 0 339.439 4.154 20 30 EIEDRO O=C(Nc1scnc1C1CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000328942171 1027831748 /nfs/dbraw/zinc/83/17/48/1027831748.db2.gz TYOVERAWBAOTSR-UHFFFAOYSA-N 1 0 348.516 4.144 20 30 EIEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)s1 ZINC000609544913 1027841860 /nfs/dbraw/zinc/84/18/60/1027841860.db2.gz ZNOLFEFVMNUIKN-UHFFFAOYSA-N 1 0 326.465 4.408 20 30 EIEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(N)c1Cl ZINC000330464843 1027854074 /nfs/dbraw/zinc/85/40/74/1027854074.db2.gz VZUMSEAIFMGHLJ-LLVKDONJSA-N 1 0 344.286 4.001 20 30 EIEDRO COc1ccc2cc(C[N@H+](C)Cc3ccc(F)c(C#N)c3)ccc2c1 ZINC000468278376 1027870806 /nfs/dbraw/zinc/87/08/06/1027870806.db2.gz SDWYAMXBGHJMNO-UHFFFAOYSA-N 1 0 334.394 4.491 20 30 EIEDRO CC[N@H+](Cc1ccc(F)cc1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000609432223 1027894471 /nfs/dbraw/zinc/89/44/71/1027894471.db2.gz UXYQFMZJUWIVMV-OAHLLOKOSA-N 1 0 326.415 4.159 20 30 EIEDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444660650 1027931752 /nfs/dbraw/zinc/93/17/52/1027931752.db2.gz KADUHJNXDPNTFL-SIKLNZKXSA-N 1 0 348.490 4.122 20 30 EIEDRO C[C@@H]1CSCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444640108 1027935543 /nfs/dbraw/zinc/93/55/43/1027935543.db2.gz BEEXBPNVLJQZDY-GOSISDBHSA-N 1 0 336.504 4.324 20 30 EIEDRO CC(C)[C@@H](CNC(=O)c1cc(O)ccc1Cl)[NH+]1CCC(C)CC1 ZINC000331184015 1027938321 /nfs/dbraw/zinc/93/83/21/1027938321.db2.gz IEWRFUCVFWQEBK-QGZVFWFLSA-N 1 0 338.879 4.107 20 30 EIEDRO COc1ccc([C@H]([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C(C)C)cc1 ZINC000237271218 1027961361 /nfs/dbraw/zinc/96/13/61/1027961361.db2.gz BZSIDFFHNTXKCY-IIBYNOLFSA-N 1 0 338.451 4.473 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000583087664 1027971624 /nfs/dbraw/zinc/97/16/24/1027971624.db2.gz ZTUVBDNDUMWNNK-OKILXGFUSA-N 1 0 341.333 4.019 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000469843411 1027976519 /nfs/dbraw/zinc/97/65/19/1027976519.db2.gz RMSPWXMSUPBJSQ-UHFFFAOYSA-N 1 0 345.512 4.385 20 30 EIEDRO N#CC(CC[NH2+][C@H]1CCO[C@H]1C1CC1)(c1ccccc1)c1ccccc1 ZINC000444691565 1027979798 /nfs/dbraw/zinc/97/97/98/1027979798.db2.gz AAVVDHJBBVHWBD-VXKWHMMOSA-N 1 0 346.474 4.043 20 30 EIEDRO CCc1ccc2[nH+]ccc(N3CCC(C#N)(c4ccccn4)CC3)c2c1 ZINC000564705508 1028029661 /nfs/dbraw/zinc/02/96/61/1028029661.db2.gz ZVVHRTWIKQHOKU-UHFFFAOYSA-N 1 0 342.446 4.254 20 30 EIEDRO C=CC[C@@H]1[N@@H+](Cc2nc(Cc3ccccc3)no2)CCCC1(C)C ZINC000444793213 1028074449 /nfs/dbraw/zinc/07/44/49/1028074449.db2.gz RMIPWOSCOYHSJN-KRWDZBQOSA-N 1 0 325.456 4.227 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccccn1 ZINC000047687930 1028135082 /nfs/dbraw/zinc/13/50/82/1028135082.db2.gz HNALJZFLSHKERB-QGZVFWFLSA-N 1 0 343.430 4.383 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)C(=O)Nc1ccc(F)cc1Cl ZINC000329895114 1028149954 /nfs/dbraw/zinc/14/99/54/1028149954.db2.gz BUWSAXLXRNSHHZ-PNEXNCLXSA-N 1 0 340.826 4.003 20 30 EIEDRO C=CC[C@@H]1N(C(=O)NCc2ccc(C[NH+](C)C)cc2)CCCC1(C)C ZINC000444888812 1028156331 /nfs/dbraw/zinc/15/63/31/1028156331.db2.gz WTFYCEJMAAQFFU-IBGZPJMESA-N 1 0 343.515 4.025 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)c(F)c1 ZINC000176495724 1028210143 /nfs/dbraw/zinc/21/01/43/1028210143.db2.gz SZPJLPYPQJEKEG-UHFFFAOYSA-N 1 0 340.789 4.031 20 30 EIEDRO CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC23CCC3)c1 ZINC000330141228 1028213922 /nfs/dbraw/zinc/21/39/22/1028213922.db2.gz XLVXCCJOPWDPBP-UHFFFAOYSA-N 1 0 338.455 4.229 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000523564940 1028238150 /nfs/dbraw/zinc/23/81/50/1028238150.db2.gz DTCVTDHSTAPCSE-FQEVSTJZSA-N 1 0 343.515 4.039 20 30 EIEDRO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000330270298 1028240228 /nfs/dbraw/zinc/24/02/28/1028240228.db2.gz TXDZDNDXFJZXAP-UCLAIMLFSA-N 1 0 330.472 4.252 20 30 EIEDRO CCC[N@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccc(C#N)cc1 ZINC000346139455 1028275923 /nfs/dbraw/zinc/27/59/23/1028275923.db2.gz VMKMLMLQUNYEFS-UHFFFAOYSA-N 1 0 336.464 4.218 20 30 EIEDRO CCC(CC)C(=O)N1CCC([NH2+][C@@H](CC)c2ccc(C#N)cc2)CC1 ZINC000278194234 1028474696 /nfs/dbraw/zinc/47/46/96/1028474696.db2.gz FUUNHGSXMBEYGH-FQEVSTJZSA-N 1 0 341.499 4.026 20 30 EIEDRO C=CCCCCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000583329777 1028515133 /nfs/dbraw/zinc/51/51/33/1028515133.db2.gz BMOVFXYUDPRIHY-UHFFFAOYSA-N 1 0 328.500 4.151 20 30 EIEDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)CCO1 ZINC000346664577 1028587138 /nfs/dbraw/zinc/58/71/38/1028587138.db2.gz BGRAQJCIULQPSL-QUCCMNQESA-N 1 0 330.472 4.052 20 30 EIEDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCC3(C#N)CCOCC3)C2)cc1 ZINC000281432638 1028605973 /nfs/dbraw/zinc/60/59/73/1028605973.db2.gz SORAQYZKNHCADL-UYAOXDASSA-N 1 0 326.484 4.273 20 30 EIEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000281475031 1028637336 /nfs/dbraw/zinc/63/73/36/1028637336.db2.gz VBHFGVOPBLLTON-KRWDZBQOSA-N 1 0 344.455 4.323 20 30 EIEDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000583396827 1028657140 /nfs/dbraw/zinc/65/71/40/1028657140.db2.gz INEPJYVVZCWKDE-AWEZNQCLSA-N 1 0 326.390 4.436 20 30 EIEDRO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000524148139 1028706113 /nfs/dbraw/zinc/70/61/13/1028706113.db2.gz GKZMFWPYJQRSKS-ICSRJNTNSA-N 1 0 343.515 4.210 20 30 EIEDRO CC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000522712513 1028719060 /nfs/dbraw/zinc/71/90/60/1028719060.db2.gz UMFQEVBRRAWKQJ-LJQANCHMSA-N 1 0 341.499 4.062 20 30 EIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1OCCCC#N ZINC000127379598 1028775017 /nfs/dbraw/zinc/77/50/17/1028775017.db2.gz MQRQDNPTWKUPQC-GOSISDBHSA-N 1 0 339.439 4.043 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccccc1 ZINC000027777167 1028815456 /nfs/dbraw/zinc/81/54/56/1028815456.db2.gz WUECYEBILXNYGP-UHFFFAOYSA-N 1 0 346.833 4.496 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)ccc1C#N ZINC000440826646 1028831470 /nfs/dbraw/zinc/83/14/70/1028831470.db2.gz NTHJMRQGQYIDJG-ORAYPTAESA-N 1 0 344.842 4.086 20 30 EIEDRO COc1cc(C[NH2+]CC2(c3cccc(Cl)c3)CC2)ccc1C#N ZINC000440828301 1028832271 /nfs/dbraw/zinc/83/22/71/1028832271.db2.gz SPBZOVPXSCWLJY-UHFFFAOYSA-N 1 0 326.827 4.042 20 30 EIEDRO N#CC1CCC(C[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000281777126 1028862186 /nfs/dbraw/zinc/86/21/86/1028862186.db2.gz SSIYTZSAFPQOHY-UHFFFAOYSA-N 1 0 325.225 4.008 20 30 EIEDRO N#CC1(CCC[NH+]2CCC(=Cc3ccccc3F)CC2)CCOCC1 ZINC000281873769 1028903613 /nfs/dbraw/zinc/90/36/13/1028903613.db2.gz CLMRBFDHIWYZPP-UHFFFAOYSA-N 1 0 342.458 4.405 20 30 EIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1cccc(OC(F)F)c1 ZINC000281890984 1028915429 /nfs/dbraw/zinc/91/54/29/1028915429.db2.gz DSZJORCLJJRLDC-AWEZNQCLSA-N 1 0 338.398 4.039 20 30 EIEDRO CCC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343318613 1028933948 /nfs/dbraw/zinc/93/39/48/1028933948.db2.gz JRIUVMTXYSPKJY-IBGZPJMESA-N 1 0 349.478 4.234 20 30 EIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)CC(C)(C)C)c1C ZINC000524436261 1028945944 /nfs/dbraw/zinc/94/59/44/1028945944.db2.gz KSJOHJLIEKRZHS-UHFFFAOYSA-N 1 0 343.515 4.355 20 30 EIEDRO CC[C@H]([NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)c1ccc(C#N)cc1 ZINC000278347239 1028955768 /nfs/dbraw/zinc/95/57/68/1028955768.db2.gz YLKQXHMZEBCGEF-IERDGZPVSA-N 1 0 347.462 4.487 20 30 EIEDRO CC[C@@H]([NH2+]CCCC1(C#N)CCOCC1)C(C)(C)c1ccccc1 ZINC000281944326 1028995074 /nfs/dbraw/zinc/99/50/74/1028995074.db2.gz JBUPNSRQNMWPCG-LJQANCHMSA-N 1 0 328.500 4.433 20 30 EIEDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000444254145 1029114234 /nfs/dbraw/zinc/11/42/34/1029114234.db2.gz VTWUETOWGPQCRO-NVXWUHKLSA-N 1 0 345.512 4.141 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N(CCC)[C@H](CC)c2ccccc2)CC1 ZINC000522985660 1029146906 /nfs/dbraw/zinc/14/69/06/1029146906.db2.gz DPNOEEOPLPNDFZ-HXUWFJFHSA-N 1 0 343.515 4.210 20 30 EIEDRO COc1ccccc1C(C)(C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000103171905 1029166722 /nfs/dbraw/zinc/16/67/22/1029166722.db2.gz HCIDCIBKJYAEBJ-UHFFFAOYSA-N 1 0 338.451 4.403 20 30 EIEDRO CC[N@H+](CC(=O)c1c[nH]c2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000103468817 1029196226 /nfs/dbraw/zinc/19/62/26/1029196226.db2.gz DSEHRLLRXFTGDV-OAHLLOKOSA-N 1 0 331.419 4.305 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)C1CCCCC1 ZINC000475100761 1029248624 /nfs/dbraw/zinc/24/86/24/1029248624.db2.gz RLJWOPGIZYOJEB-VNCLNFNDSA-N 1 0 327.472 4.202 20 30 EIEDRO C[C@H]1CC(N(CC#N)Cc2ccccc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058105 1029359851 /nfs/dbraw/zinc/35/98/51/1029359851.db2.gz AZCLLNCZCQLXFN-PMACEKPBSA-N 1 0 347.506 4.454 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000186227928 1029379496 /nfs/dbraw/zinc/37/94/96/1029379496.db2.gz XWYNPMUDFIACFF-UHFFFAOYSA-N 1 0 334.463 4.296 20 30 EIEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000192739093 1029383550 /nfs/dbraw/zinc/38/35/50/1029383550.db2.gz MDEDADCTJWHGDD-CABCVRRESA-N 1 0 348.372 4.063 20 30 EIEDRO Cc1[nH+]ccc(N2CCC(Oc3ccc(C#N)cc3F)CC2)c1Cl ZINC000343512927 1029411676 /nfs/dbraw/zinc/41/16/76/1029411676.db2.gz ZTOHHBLTVDFSOX-UHFFFAOYSA-N 1 0 345.805 4.102 20 30 EIEDRO Cc1ccc([C@H](CNc2ncc(Cl)c(C)c2C#N)[NH+]2CCCC2)o1 ZINC000343530498 1029449430 /nfs/dbraw/zinc/44/94/30/1029449430.db2.gz ODFKNMLBKXFPMA-INIZCTEOSA-N 1 0 344.846 4.066 20 30 EIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C12CCCCC2 ZINC000525127886 1029466977 /nfs/dbraw/zinc/46/69/77/1029466977.db2.gz QXBXILBZSWDVNV-RTBURBONSA-N 1 0 330.447 4.257 20 30 EIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)n1)c1cccc(C#N)c1 ZINC000925185628 1029536447 /nfs/dbraw/zinc/53/64/47/1029536447.db2.gz NOBAKMYFIZFEHU-NEPJUHHUSA-N 1 0 330.229 4.128 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)cc1Cl ZINC000657819308 1029537665 /nfs/dbraw/zinc/53/76/65/1029537665.db2.gz STNNUQRWOKCJEM-KUHUBIRLSA-N 1 0 331.843 4.117 20 30 EIEDRO CCC(CC)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccc(OC)c(OC)c1 ZINC000446754651 1029559219 /nfs/dbraw/zinc/55/92/19/1029559219.db2.gz XUOFIZCWAWSAOZ-FUHWJXTLSA-N 1 0 344.499 4.434 20 30 EIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193343123 1029612083 /nfs/dbraw/zinc/61/20/83/1029612083.db2.gz NBJVWDJRUFMXPE-OBJOEFQTSA-N 1 0 337.261 4.191 20 30 EIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)CC3 ZINC000584104102 1029623941 /nfs/dbraw/zinc/62/39/41/1029623941.db2.gz SBFMKKHDJMZREJ-GOSISDBHSA-N 1 0 341.458 4.484 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc3c(n2)CCCC3)CC1 ZINC000446899531 1029628921 /nfs/dbraw/zinc/62/89/21/1029628921.db2.gz RXIQHPXUHLRVSI-UHFFFAOYSA-N 1 0 345.490 4.454 20 30 EIEDRO COc1ccccc1[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)OC(C)C ZINC000186383550 1029645239 /nfs/dbraw/zinc/64/52/39/1029645239.db2.gz GFQAPAUTTYBTMZ-HRAATJIYSA-N 1 0 338.451 4.384 20 30 EIEDRO COc1ccccc1[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)OC(C)C ZINC000186383534 1029645344 /nfs/dbraw/zinc/64/53/44/1029645344.db2.gz GFQAPAUTTYBTMZ-KKSFZXQISA-N 1 0 338.451 4.384 20 30 EIEDRO C=C(C)C[NH+]1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000301183164 1029682693 /nfs/dbraw/zinc/68/26/93/1029682693.db2.gz PXYJMIZBLVLAFF-UHFFFAOYSA-N 1 0 333.785 4.206 20 30 EIEDRO C[C@@H](NCc1ccccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000179071792 1029684067 /nfs/dbraw/zinc/68/40/67/1029684067.db2.gz QSRAOXKYSCXYIO-CYBMUJFWSA-N 1 0 334.341 4.350 20 30 EIEDRO N#CCCn1cc(C[NH2+]CCC2=CCCCCC2)c(-c2ccncc2)n1 ZINC000278699322 1029708804 /nfs/dbraw/zinc/70/88/04/1029708804.db2.gz QPYKPMBVFJVTPJ-UHFFFAOYSA-N 1 0 349.482 4.229 20 30 EIEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccc(N2CCCC2=O)c1 ZINC000278735924 1029754286 /nfs/dbraw/zinc/75/42/86/1029754286.db2.gz LIPWNTFOIUGFBP-MRXNPFEDSA-N 1 0 327.472 4.184 20 30 EIEDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000151888651 1029835080 /nfs/dbraw/zinc/83/50/80/1029835080.db2.gz DYBJVZMYKXDQON-FQEVSTJZSA-N 1 0 336.435 4.155 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]CCC[C@H]2CCCC[C@H]2O)ccc1OC ZINC000128135036 1029859076 /nfs/dbraw/zinc/85/90/76/1029859076.db2.gz XKVHAUZIVFZVNQ-RTBURBONSA-N 1 0 347.499 4.071 20 30 EIEDRO N#Cc1cccnc1OC1CCC([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000525833468 1030054931 /nfs/dbraw/zinc/05/49/31/1030054931.db2.gz BEBCORQQLGBTSH-GKYDQMIMSA-N 1 0 347.462 4.037 20 30 EIEDRO Cc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2c2ccccc2OC(F)F)cc1C ZINC000262685971 1030075344 /nfs/dbraw/zinc/07/53/44/1030075344.db2.gz AOOXHLNBIJEVCN-CVEARBPZSA-N 1 0 345.393 4.188 20 30 EIEDRO C=CC[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1cccs1 ZINC000054358739 1030098803 /nfs/dbraw/zinc/09/88/03/1030098803.db2.gz RKFSQGCIZKOHFR-UHFFFAOYSA-N 1 0 334.872 4.418 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1 ZINC000447518181 1030115188 /nfs/dbraw/zinc/11/51/88/1030115188.db2.gz VJWWQQMTANXGSV-UXHICEINSA-N 1 0 325.431 4.041 20 30 EIEDRO CC[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccc(C#N)cc1 ZINC000447518176 1030115288 /nfs/dbraw/zinc/11/52/88/1030115288.db2.gz VJWWQQMTANXGSV-PMACEKPBSA-N 1 0 325.431 4.041 20 30 EIEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000185192260 1030121781 /nfs/dbraw/zinc/12/17/81/1030121781.db2.gz UVWWJOAENLHOEA-PMACEKPBSA-N 1 0 330.472 4.052 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441278209 1030128296 /nfs/dbraw/zinc/12/82/96/1030128296.db2.gz RBXVMONFMZWOQN-VXKWHMMOSA-N 1 0 346.474 4.474 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)C1 ZINC000447536785 1030141029 /nfs/dbraw/zinc/14/10/29/1030141029.db2.gz PYLVPEYQNQMERW-GOEBONIOSA-N 1 0 325.387 4.185 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)C1 ZINC000447536784 1030142399 /nfs/dbraw/zinc/14/23/99/1030142399.db2.gz PYLVPEYQNQMERW-GDBMZVCRSA-N 1 0 325.387 4.185 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)c1ccc(C#N)cc1 ZINC000447542967 1030148451 /nfs/dbraw/zinc/14/84/51/1030148451.db2.gz QDOYAGMRQWUGTH-MRXNPFEDSA-N 1 0 349.356 4.135 20 30 EIEDRO CC[C@H]([NH2+]Cc1ccccc1Cn1cccn1)c1ccc(C#N)cc1 ZINC000447543598 1030149209 /nfs/dbraw/zinc/14/92/09/1030149209.db2.gz SFEHFTJOFPNOIF-NRFANRHFSA-N 1 0 330.435 4.044 20 30 EIEDRO CC[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 ZINC000447574800 1030161277 /nfs/dbraw/zinc/16/12/77/1030161277.db2.gz OPQMGSPCGQAVDS-LJQANCHMSA-N 1 0 336.435 4.003 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2)c1ccc(C#N)cc1 ZINC000447564518 1030175783 /nfs/dbraw/zinc/17/57/83/1030175783.db2.gz XLEJSDMSFYXZAL-AUUYWEPGSA-N 1 0 336.435 4.131 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](C)COc1ccccc1OC)c1ccc(C#N)cc1 ZINC000447585500 1030184256 /nfs/dbraw/zinc/18/42/56/1030184256.db2.gz JKKCVKLQKFTZJQ-VQIMIIECSA-N 1 0 338.451 4.323 20 30 EIEDRO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000127494548 1030189996 /nfs/dbraw/zinc/18/99/96/1030189996.db2.gz XPOBRGFPNPQNKQ-IAGOWNOFSA-N 1 0 335.451 4.161 20 30 EIEDRO CC(C)c1ccc2ncc(C#N)c(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000447686263 1030275545 /nfs/dbraw/zinc/27/55/45/1030275545.db2.gz POPFXJXEEVXSJD-UTKZUKDTSA-N 1 0 348.494 4.150 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)ccc1F ZINC000451167327 1030292447 /nfs/dbraw/zinc/29/24/47/1030292447.db2.gz ZYSHXRYQIRLSFO-GFCCVEGCSA-N 1 0 334.341 4.458 20 30 EIEDRO N#Cc1cccc(OCC[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000451300925 1030372446 /nfs/dbraw/zinc/37/24/46/1030372446.db2.gz IOKIJIFRXTWJKX-HOCLYGCPSA-N 1 0 326.362 4.038 20 30 EIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480557036 1030392481 /nfs/dbraw/zinc/39/24/81/1030392481.db2.gz RYHGCIFUSCGVCS-DLBZAZTESA-N 1 0 345.918 4.298 20 30 EIEDRO N#CC1(CCC[N@@H+]2CCCC[C@H]2Cc2ccccc2)CCOCC1 ZINC000282031361 1030513348 /nfs/dbraw/zinc/51/33/48/1030513348.db2.gz QBDBUIZRRXGFEK-FQEVSTJZSA-N 1 0 326.484 4.184 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000657929150 1030617361 /nfs/dbraw/zinc/61/73/61/1030617361.db2.gz CPSTULGZGOZJHZ-YFVAEKQCSA-N 1 0 327.516 4.332 20 30 EIEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000657933371 1030629828 /nfs/dbraw/zinc/62/98/28/1030629828.db2.gz RFXZJXQFYGZVNW-HNNXBMFYSA-N 1 0 329.440 4.100 20 30 EIEDRO CC[NH+](CC)[C@H](CN=Cc1cc2ccccc2[nH]c1=O)c1ccco1 ZINC000255618618 1030677696 /nfs/dbraw/zinc/67/76/96/1030677696.db2.gz JGIIYOYRGLNYHE-LZAZYHHXSA-N 1 0 337.423 4.035 20 30 EIEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000527484841 1030699991 /nfs/dbraw/zinc/69/99/91/1030699991.db2.gz OEPDXBKSLBUIEG-AWEZNQCLSA-N 1 0 349.459 4.452 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)C1CCCCC1 ZINC000527523554 1030746177 /nfs/dbraw/zinc/74/61/77/1030746177.db2.gz FNJLUDGLLCTLOD-VNCLNFNDSA-N 1 0 327.472 4.202 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000658007208 1030759041 /nfs/dbraw/zinc/75/90/41/1030759041.db2.gz YRBSVYAWFKYVDJ-NZSAHSFTSA-N 1 0 327.472 4.017 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000451918456 1030766957 /nfs/dbraw/zinc/76/69/57/1030766957.db2.gz YUQIWOZLMCAQFC-MRXNPFEDSA-N 1 0 329.271 4.120 20 30 EIEDRO COc1ccc(C#N)cc1CN(C)Cc1ccccc1C(F)(F)F ZINC000448452204 1030802896 /nfs/dbraw/zinc/80/28/96/1030802896.db2.gz LFIBHGOTSIAMMI-UHFFFAOYSA-N 1 0 334.341 4.218 20 30 EIEDRO COc1cc(C[NH2+]Cc2ccc(CC#N)cc2)cc(C(F)(F)F)c1 ZINC000527725350 1030826046 /nfs/dbraw/zinc/82/60/46/1030826046.db2.gz SWMADNIXKUWOOY-UHFFFAOYSA-N 1 0 334.341 4.070 20 30 EIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1F ZINC000127605686 1030837772 /nfs/dbraw/zinc/83/77/72/1030837772.db2.gz WTKSXLRCSCJERV-VXGBXAGGSA-N 1 0 345.805 4.029 20 30 EIEDRO N#Cc1cc(F)ccc1CNC1(c2ccc(Br)cc2)CC1 ZINC000103142038 1030851021 /nfs/dbraw/zinc/85/10/21/1030851021.db2.gz BJQSNKWZTIBLEJ-UHFFFAOYSA-N 1 0 345.215 4.239 20 30 EIEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(F)c(Br)cc1F ZINC000527899660 1030904898 /nfs/dbraw/zinc/90/48/98/1030904898.db2.gz AJFXRVIHHCLLEQ-DCAQKATOSA-N 1 0 343.215 4.460 20 30 EIEDRO CN(C)C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(Cl)c(Cl)c1 ZINC000528012281 1031038378 /nfs/dbraw/zinc/03/83/78/1031038378.db2.gz SNYYRYCZYLRRRU-JDFRZJQESA-N 1 0 340.298 4.268 20 30 EIEDRO COc1ccc(C[NH2+]C(C)(C)CC(F)(F)F)cc1OCCCC#N ZINC000614822398 1031092272 /nfs/dbraw/zinc/09/22/72/1031092272.db2.gz JEHSGWVVFDSRSN-UHFFFAOYSA-N 1 0 344.377 4.198 20 30 EIEDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)Cc3ccc(C#N)cc3)c2C1 ZINC000171072886 1031172622 /nfs/dbraw/zinc/17/26/22/1031172622.db2.gz CKAQKPLYGNRBTC-UHFFFAOYSA-N 1 0 347.462 4.101 20 30 EIEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000532503524 1031225025 /nfs/dbraw/zinc/22/50/25/1031225025.db2.gz WTGWLBBBDBEUCJ-OAQYLSRUSA-N 1 0 347.462 4.286 20 30 EIEDRO C[C@@H]([N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)C(C)(C)C ZINC000532490615 1031230615 /nfs/dbraw/zinc/23/06/15/1031230615.db2.gz CWMMBEXVDJWESV-OAHLLOKOSA-N 1 0 325.456 4.104 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C)c(Cl)c2Cl)CC1 ZINC000448921478 1031250058 /nfs/dbraw/zinc/25/00/58/1031250058.db2.gz NGJXDECCUYXZSF-UHFFFAOYSA-N 1 0 341.282 4.072 20 30 EIEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccccc1OC(F)F ZINC000179715740 1031275671 /nfs/dbraw/zinc/27/56/71/1031275671.db2.gz CVZGQPSPLWZYPM-INIZCTEOSA-N 1 0 346.377 4.409 20 30 EIEDRO CCC(C#N)(CC)C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000528274071 1031328617 /nfs/dbraw/zinc/32/86/17/1031328617.db2.gz UUHFKKZBCZJNEI-UHFFFAOYSA-N 1 0 327.472 4.331 20 30 EIEDRO CC(C)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C1CCOCC1 ZINC000897452836 1031341032 /nfs/dbraw/zinc/34/10/32/1031341032.db2.gz XRCSIBMLMDHHKJ-UHFFFAOYSA-N 1 0 340.511 4.433 20 30 EIEDRO CCN(CC)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)c1cccc(OC)c1 ZINC000449067240 1031417162 /nfs/dbraw/zinc/41/71/62/1031417162.db2.gz JPVCMACQJNOKLV-VEDCXYSMSA-N 1 0 343.515 4.140 20 30 EIEDRO C[C@@H](NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000449073716 1031430038 /nfs/dbraw/zinc/43/00/38/1031430038.db2.gz NSJSLHVQQWPWIB-RTBURBONSA-N 1 0 347.506 4.304 20 30 EIEDRO COc1ccccc1SC[C@@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449123192 1031461581 /nfs/dbraw/zinc/46/15/81/1031461581.db2.gz BKVBWXMOWQMDFE-LYGPFTKASA-N 1 0 332.513 4.485 20 30 EIEDRO C=CCCCC[C@H](C)[NH2+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000449162963 1031503621 /nfs/dbraw/zinc/50/36/21/1031503621.db2.gz KWQURSSEFDHGIB-SFHVURJKSA-N 1 0 328.500 4.263 20 30 EIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+]C2CCC(C)(C#N)CC2)c(C)c1 ZINC000449189741 1031510679 /nfs/dbraw/zinc/51/06/79/1031510679.db2.gz MLDNQVPFOBWBKY-VEDCXYSMSA-N 1 0 336.483 4.303 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000449219904 1031551828 /nfs/dbraw/zinc/55/18/28/1031551828.db2.gz OTPMHIYBIJDQIE-SNCIUUNGSA-N 1 0 347.462 4.428 20 30 EIEDRO CC[C@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000365247233 1031576813 /nfs/dbraw/zinc/57/68/13/1031576813.db2.gz ZXHWKLSEOORMMV-LEWJYISDSA-N 1 0 348.425 4.261 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1 ZINC000177310835 1031583416 /nfs/dbraw/zinc/58/34/16/1031583416.db2.gz GEHXGIOVNWFGLO-OAQYLSRUSA-N 1 0 347.462 4.452 20 30 EIEDRO C[C@H](CCCc1cccnc1)[NH2+]CCSCc1ccccc1C#N ZINC000453091790 1031584486 /nfs/dbraw/zinc/58/44/86/1031584486.db2.gz ZYIJFARZLJLNID-QGZVFWFLSA-N 1 0 339.508 4.187 20 30 EIEDRO N#CCCCOc1cccnc1NCc1ccccc1Br ZINC000162252077 1031601346 /nfs/dbraw/zinc/60/13/46/1031601346.db2.gz PYZVRYHKNNYKGK-UHFFFAOYSA-N 1 0 346.228 4.139 20 30 EIEDRO CC[N@H+](CCCC(C)(C)C#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472441484 1031657271 /nfs/dbraw/zinc/65/72/71/1031657271.db2.gz YATGGJRRKJELMD-UYAOXDASSA-N 1 0 327.516 4.474 20 30 EIEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)c(C(F)(F)F)c1 ZINC000449373924 1031672048 /nfs/dbraw/zinc/67/20/48/1031672048.db2.gz CYEQXVLOGZNINU-ZDUSSCGKSA-N 1 0 332.316 4.492 20 30 EIEDRO CO[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)Cc1ccccc1 ZINC000449390865 1031696113 /nfs/dbraw/zinc/69/61/13/1031696113.db2.gz CGVWWIFOEWTZDE-OOMBGRCJSA-N 1 0 348.490 4.238 20 30 EIEDRO CSCC1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000449422326 1031739269 /nfs/dbraw/zinc/73/92/69/1031739269.db2.gz LFLFDEPLZIHMBV-UHFFFAOYSA-N 1 0 332.513 4.381 20 30 EIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000528691851 1031768400 /nfs/dbraw/zinc/76/84/00/1031768400.db2.gz WTWAGACNWMTLDS-GOSISDBHSA-N 1 0 329.488 4.000 20 30 EIEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000453289155 1031808617 /nfs/dbraw/zinc/80/86/17/1031808617.db2.gz IEJQUNLAFFBKRZ-OYSPMZIOSA-N 1 0 332.875 4.102 20 30 EIEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000449546874 1031827291 /nfs/dbraw/zinc/82/72/91/1031827291.db2.gz FCOMGYRUMLKXFC-BNICSPFPSA-N 1 0 336.273 4.018 20 30 EIEDRO COCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000449553889 1031840790 /nfs/dbraw/zinc/84/07/90/1031840790.db2.gz MYBFPMGSVIFQJC-RCBQFDQVSA-N 1 0 326.362 4.065 20 30 EIEDRO COCC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000449552086 1031841657 /nfs/dbraw/zinc/84/16/57/1031841657.db2.gz HZZVCIAWNQSQRS-XKQJLSEDSA-N 1 0 340.389 4.455 20 30 EIEDRO C=CCC1(C[NH2+]Cc2cnc(-c3ccccc3OC)nc2)CCCC1 ZINC000449606616 1031868032 /nfs/dbraw/zinc/86/80/32/1031868032.db2.gz RLKTUMBSMYKOQN-UHFFFAOYSA-N 1 0 337.467 4.378 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCO[C@H](c3cccs3)C2)c1 ZINC000449624632 1031886299 /nfs/dbraw/zinc/88/62/99/1031886299.db2.gz NOYRPCBVFAHGQQ-AEFFLSMTSA-N 1 0 329.465 4.323 20 30 EIEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000453365239 1031906747 /nfs/dbraw/zinc/90/67/47/1031906747.db2.gz RFSXSDQFPLECHV-JKSUJKDBSA-N 1 0 346.471 4.243 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000453366574 1031908646 /nfs/dbraw/zinc/90/86/46/1031908646.db2.gz RMAODHGHQVEYRH-INMHGKMJSA-N 1 0 344.455 4.260 20 30 EIEDRO CC(C)(C)[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000152304539 1031912280 /nfs/dbraw/zinc/91/22/80/1031912280.db2.gz USDXQGUYLQFLIM-UHFFFAOYSA-N 1 0 335.451 4.188 20 30 EIEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000449760759 1031977735 /nfs/dbraw/zinc/97/77/35/1031977735.db2.gz RCTWIZTZUNRYJC-JWFWCLOMSA-N 1 0 326.484 4.328 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000449765773 1031989397 /nfs/dbraw/zinc/98/93/97/1031989397.db2.gz KKYYQLNYWBTDDD-LJQANCHMSA-N 1 0 343.492 4.306 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](c2cccs2)C(C)(C)CO)c1 ZINC000453578811 1032025903 /nfs/dbraw/zinc/02/59/03/1032025903.db2.gz RGRYRIWVCPNTFN-GOSISDBHSA-N 1 0 331.481 4.162 20 30 EIEDRO C=CCC1(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCCC1 ZINC000449821625 1032046721 /nfs/dbraw/zinc/04/67/21/1032046721.db2.gz RNQZRLJSJLEAOJ-IBGZPJMESA-N 1 0 332.532 4.093 20 30 EIEDRO CC(C)Oc1ccc(CC[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000573475068 1033367427 /nfs/dbraw/zinc/36/74/27/1033367427.db2.gz NDJCYVYQBILNTF-HNNXBMFYSA-N 1 0 326.415 4.378 20 30 EIEDRO N#CCCOCC[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000549865801 1033394567 /nfs/dbraw/zinc/39/45/67/1033394567.db2.gz DKFJBJJVKVXJBG-UHFFFAOYSA-N 1 0 339.266 4.403 20 30 EIEDRO Cc1ccc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000512610015 1033486442 /nfs/dbraw/zinc/48/64/42/1033486442.db2.gz UUAHLXACUOZYAS-UHFFFAOYSA-N 1 0 347.462 4.026 20 30 EIEDRO COCC[N@H+](CCc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614163966 1033543020 /nfs/dbraw/zinc/54/30/20/1033543020.db2.gz VTDFQTHZJAJOKR-UHFFFAOYSA-N 1 0 336.479 4.179 20 30 EIEDRO CC(C)(C#N)c1ccc(CN2CCO[C@@H](c3ccccc3F)C2)cc1 ZINC000614166778 1033549168 /nfs/dbraw/zinc/54/91/68/1033549168.db2.gz OLMUECGRTNNQQP-HXUWFJFHSA-N 1 0 338.426 4.200 20 30 EIEDRO C[C@@H](NCC(C)(C)[NH2+][C@H](C)c1ccccc1)c1ccc(C#N)cc1F ZINC000512629913 1033549899 /nfs/dbraw/zinc/54/98/99/1033549899.db2.gz KNPSZGUTBNSUOP-HZPDHXFCSA-N 1 0 339.458 4.477 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1)c1ccc(C#N)cc1F ZINC000512636901 1033580176 /nfs/dbraw/zinc/58/01/76/1033580176.db2.gz PNTXICSDGRSIFB-CJNGLKHVSA-N 1 0 343.833 4.280 20 30 EIEDRO C[C@H]([NH2+]CCc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512655481 1033624893 /nfs/dbraw/zinc/62/48/93/1033624893.db2.gz USQRLSYNNYPSDF-LBPRGKRZSA-N 1 0 347.231 4.353 20 30 EIEDRO C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)c1ccc(C#N)cc1F ZINC000512656006 1033634007 /nfs/dbraw/zinc/63/40/07/1033634007.db2.gz XTHPLKPDYDNABB-ZDUSSCGKSA-N 1 0 343.471 4.316 20 30 EIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1OC ZINC000512662701 1033636656 /nfs/dbraw/zinc/63/66/56/1033636656.db2.gz ZQYSBABUPMQNCZ-STQMWFEESA-N 1 0 328.387 4.126 20 30 EIEDRO CC(C)N(C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1)C1CCCC1 ZINC000433017908 1033663285 /nfs/dbraw/zinc/66/32/85/1033663285.db2.gz BKPCVHCPYFDFLL-FQEVSTJZSA-N 1 0 341.499 4.191 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000512673190 1033680951 /nfs/dbraw/zinc/68/09/51/1033680951.db2.gz PGLQWQDYZSGXQR-KSSFIOAISA-N 1 0 329.419 4.024 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccsc1 ZINC000512672790 1033684610 /nfs/dbraw/zinc/68/46/10/1033684610.db2.gz MLSJGNIIHDBQFR-KUHUBIRLSA-N 1 0 345.487 4.493 20 30 EIEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000411398599 1033874723 /nfs/dbraw/zinc/87/47/23/1033874723.db2.gz CRIFTCIGLIAESD-DLBZAZTESA-N 1 0 344.503 4.454 20 30 EIEDRO C=C(Br)C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000178745520 1033895660 /nfs/dbraw/zinc/89/56/60/1033895660.db2.gz FOMNTZUUJIMAKI-JTQLQIEISA-N 1 0 338.167 4.187 20 30 EIEDRO N#Cc1cccc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000512782179 1033930707 /nfs/dbraw/zinc/93/07/07/1033930707.db2.gz AVGASYIDJJVTQB-UHFFFAOYSA-N 1 0 325.843 4.288 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2ccsc2)cc1OCCCC#N ZINC000120485764 1034009310 /nfs/dbraw/zinc/00/93/10/1034009310.db2.gz XBRZNQDHJJAPCW-UHFFFAOYSA-N 1 0 330.453 4.071 20 30 EIEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC(OC3CCC3)CC2)cc1 ZINC000419287639 1034064145 /nfs/dbraw/zinc/06/41/45/1034064145.db2.gz QMDKSUISDBSBFD-UHFFFAOYSA-N 1 0 337.385 4.090 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1C#N ZINC000512913895 1034184971 /nfs/dbraw/zinc/18/49/71/1034184971.db2.gz UIXLYLOCSIOKGI-QZTJIDSGSA-N 1 0 347.384 4.341 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419331731 1034309042 /nfs/dbraw/zinc/30/90/42/1034309042.db2.gz RTZBIHRLDZSUFB-GJZGRUSLSA-N 1 0 333.501 4.095 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419331735 1034309470 /nfs/dbraw/zinc/30/94/70/1034309470.db2.gz RTZBIHRLDZSUFB-LSDHHAIUSA-N 1 0 333.501 4.095 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000614402558 1034550068 /nfs/dbraw/zinc/55/00/68/1034550068.db2.gz JEKWDPQLTAMVDT-XXBNENTESA-N 1 0 347.506 4.352 20 30 EIEDRO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000614403300 1034551552 /nfs/dbraw/zinc/55/15/52/1034551552.db2.gz PTKFOMIHKWPCJO-UHFFFAOYSA-N 1 0 335.451 4.214 20 30 EIEDRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000729267405 1034767436 /nfs/dbraw/zinc/76/74/36/1034767436.db2.gz VEAFWAZNYVKOLU-OAQYLSRUSA-N 1 0 336.435 4.325 20 30 EIEDRO N#CCOc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1 ZINC000729268352 1034768903 /nfs/dbraw/zinc/76/89/03/1034768903.db2.gz ZLJMDLAEXAHLNC-SFHVURJKSA-N 1 0 340.854 4.449 20 30 EIEDRO C[N@H+](CCOCCC#N)[C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000549929505 1034783199 /nfs/dbraw/zinc/78/31/99/1034783199.db2.gz CYKPCBZUERPKDM-SJORKVTESA-N 1 0 340.389 4.204 20 30 EIEDRO C=C1CC[NH+](Cc2ccc(OCC(F)(F)F)c(OCC)c2)CC1 ZINC000513445032 1034951876 /nfs/dbraw/zinc/95/18/76/1034951876.db2.gz ZUNZFKWBQVIJBT-UHFFFAOYSA-N 1 0 329.362 4.178 20 30 EIEDRO C=CCc1ccccc1OC[C@H](O)C[N@H+](Cc1cccs1)C(C)C ZINC000513507941 1034993396 /nfs/dbraw/zinc/99/33/96/1034993396.db2.gz JNYHCJGRGHSFJA-GOSISDBHSA-N 1 0 345.508 4.127 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000280536042 1035290229 /nfs/dbraw/zinc/29/02/29/1035290229.db2.gz AKHLWLPAOZBIGJ-MKBNYLNASA-N 1 0 329.362 4.059 20 30 EIEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000280613083 1035307432 /nfs/dbraw/zinc/30/74/32/1035307432.db2.gz QNLILTFOYBZXCA-CQSZACIVSA-N 1 0 337.423 4.086 20 30 EIEDRO C=CCSc1ccccc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419914663 1035434574 /nfs/dbraw/zinc/43/45/74/1035434574.db2.gz BMWFJNCSDIXUCK-UHFFFAOYSA-N 1 0 332.513 4.007 20 30 EIEDRO C=CCC[C@H]([NH2+]CCc1nc2c(cccc2F)n1C)c1ccco1 ZINC000513713977 1035439146 /nfs/dbraw/zinc/43/91/46/1035439146.db2.gz WDQPKJCXFHZTTC-HNNXBMFYSA-N 1 0 327.403 4.145 20 30 EIEDRO C[C@H]1C[C@H](NCC2(C#N)CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000594980936 1035512799 /nfs/dbraw/zinc/51/27/99/1035512799.db2.gz DLHUPDWPKPUONU-AZUAARDMSA-N 1 0 325.500 4.103 20 30 EIEDRO C[C@H](CCc1ccccc1)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594984160 1035513213 /nfs/dbraw/zinc/51/32/13/1035513213.db2.gz NHYRRGWRVVWUBV-LJQANCHMSA-N 1 0 348.490 4.422 20 30 EIEDRO C[C@@H](CCc1ccccc1)C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000594984156 1035513496 /nfs/dbraw/zinc/51/34/96/1035513496.db2.gz NHYRRGWRVVWUBV-IBGZPJMESA-N 1 0 348.490 4.422 20 30 EIEDRO CCCc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000594985566 1035513693 /nfs/dbraw/zinc/51/36/93/1035513693.db2.gz ZLPVBIFLPPBRKR-UHFFFAOYSA-N 1 0 334.463 4.306 20 30 EIEDRO N#Cc1cccc(C2([NH2+]C/C=C/c3ccc(F)cc3)CCOCC2)c1 ZINC000594983226 1035513975 /nfs/dbraw/zinc/51/39/75/1035513975.db2.gz IPUGJIOEJXKZRV-DUXPYHPUSA-N 1 0 336.410 4.006 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCc3nsc4ccccc34)cc2)CC1 ZINC000594993948 1035518327 /nfs/dbraw/zinc/51/83/27/1035518327.db2.gz IQAFMIFGBRLNQL-UHFFFAOYSA-N 1 0 333.460 4.184 20 30 EIEDRO CCOc1c(Cl)cc(CNCC2(C#N)CCCCC2)cc1OC ZINC000594996390 1035526884 /nfs/dbraw/zinc/52/68/84/1035526884.db2.gz ZKBDXXDABFOWPC-UHFFFAOYSA-N 1 0 336.863 4.311 20 30 EIEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1sccc1Br ZINC000595055273 1035536025 /nfs/dbraw/zinc/53/60/25/1035536025.db2.gz BUNWKLKJXFILBL-NSHDSACASA-N 1 0 335.270 4.276 20 30 EIEDRO CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000595041629 1035564501 /nfs/dbraw/zinc/56/45/01/1035564501.db2.gz MSUJZANCUYLJCS-XIRDDKMYSA-N 1 0 335.289 4.442 20 30 EIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCc2noc3ccccc23)CC1 ZINC000595047180 1035568461 /nfs/dbraw/zinc/56/84/61/1035568461.db2.gz BPWQGITYFHXGQN-UHFFFAOYSA-N 1 0 345.446 4.364 20 30 EIEDRO Cn1ncc(C2CCC2)c1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000595101569 1035587071 /nfs/dbraw/zinc/58/70/71/1035587071.db2.gz XBOAOZBNEVWHAB-UHFFFAOYSA-N 1 0 348.494 4.181 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)C1 ZINC000595075613 1035588550 /nfs/dbraw/zinc/58/85/50/1035588550.db2.gz AOSIHHDEWVODER-RIEGTJTDSA-N 1 0 337.286 4.019 20 30 EIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000595092221 1035598891 /nfs/dbraw/zinc/59/88/91/1035598891.db2.gz ZNHCJJRLQVOWLG-CVEARBPZSA-N 1 0 330.472 4.259 20 30 EIEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000595091076 1035599342 /nfs/dbraw/zinc/59/93/42/1035599342.db2.gz MZKKUYKYUXGXNG-OAHLLOKOSA-N 1 0 340.471 4.095 20 30 EIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2(C#N)CCCCC2)c(Cl)c1 ZINC000595091229 1035600302 /nfs/dbraw/zinc/60/03/02/1035600302.db2.gz OHUXWPSSQZLGEX-OAHLLOKOSA-N 1 0 347.890 4.429 20 30 EIEDRO N#Cc1ccc(CC[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000595318549 1035639418 /nfs/dbraw/zinc/63/94/18/1035639418.db2.gz URVNUDJJDPOHKA-UHFFFAOYSA-N 1 0 334.463 4.030 20 30 EIEDRO N#C[C@@H](c1ccccc1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000595503344 1035688287 /nfs/dbraw/zinc/68/82/87/1035688287.db2.gz RYMUCWSYSTXWPN-QFIPXVFZSA-N 1 0 345.490 4.239 20 30 EIEDRO CCCC[N@H+](CCc1ccc(C#N)cc1)[C@H]1CCc2ncsc2C1 ZINC000595566556 1035696485 /nfs/dbraw/zinc/69/64/85/1035696485.db2.gz HDNDOZNWFMKFBW-SFHVURJKSA-N 1 0 339.508 4.217 20 30 EIEDRO Cn1cc(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)c(C2CCCC2)n1 ZINC000905078127 1035719836 /nfs/dbraw/zinc/71/98/36/1035719836.db2.gz LLFYNBNDTYLIFT-VAWYXSNFSA-N 1 0 337.467 4.035 20 30 EIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)s1)c1nc(-c2ccccc2)no1 ZINC000183359380 1035740306 /nfs/dbraw/zinc/74/03/06/1035740306.db2.gz QNNKHOMPGJPFHB-STQMWFEESA-N 1 0 338.436 4.124 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2CCc2ccccc2)cc1 ZINC000761123341 1035746477 /nfs/dbraw/zinc/74/64/77/1035746477.db2.gz KYRTYVTXMBVZKZ-VXKWHMMOSA-N 1 0 334.463 4.079 20 30 EIEDRO N#CC[C@@H]1CCC[N@@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC000595615085 1035750320 /nfs/dbraw/zinc/75/03/20/1035750320.db2.gz OWQZZWRTUPWUPV-YDOVZFOCSA-N 1 0 333.273 4.478 20 30 EIEDRO C[C@@H]([NH2+]CCOCCC#N)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000595683686 1035756798 /nfs/dbraw/zinc/75/67/98/1035756798.db2.gz YCDJXRKTHUYTFJ-QZTJIDSGSA-N 1 0 338.451 4.407 20 30 EIEDRO CC(C)(C#N)CCC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCCOC1 ZINC000595670373 1035760770 /nfs/dbraw/zinc/76/07/70/1035760770.db2.gz CHDSWOAVTHQXCV-LJQANCHMSA-N 1 0 334.891 4.351 20 30 EIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)cc1F ZINC000593113844 1035775966 /nfs/dbraw/zinc/77/59/66/1035775966.db2.gz WQWUQMXWFXBFGU-UHFFFAOYSA-N 1 0 334.316 4.495 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747064 1035782292 /nfs/dbraw/zinc/78/22/92/1035782292.db2.gz FQOWQLBRBGNQCZ-LEWJYISDSA-N 1 0 348.490 4.086 20 30 EIEDRO C=CCC1([NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)CCCC1 ZINC000595780304 1035794417 /nfs/dbraw/zinc/79/44/17/1035794417.db2.gz QSJODVZCKPIZJT-UHFFFAOYSA-N 1 0 339.483 4.029 20 30 EIEDRO CC(C)(C#N)CCCC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595828321 1035801247 /nfs/dbraw/zinc/80/12/47/1035801247.db2.gz JZWMHHDDLIZYBE-AWEZNQCLSA-N 1 0 329.271 4.336 20 30 EIEDRO COc1ccc(C#N)cc1C[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000595879876 1035802260 /nfs/dbraw/zinc/80/22/60/1035802260.db2.gz VRUXWEUSRICHGQ-UHFFFAOYSA-N 1 0 346.430 4.007 20 30 EIEDRO C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595889137 1035802475 /nfs/dbraw/zinc/80/24/75/1035802475.db2.gz HMSDTPVZAAZVRP-UKRRQHHQSA-N 1 0 340.389 4.029 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CC(C)C)c2ccccc2C)CC1 ZINC000491132027 1035816960 /nfs/dbraw/zinc/81/69/60/1035816960.db2.gz FHSHGDLFZVRMPM-FQEVSTJZSA-N 1 0 343.515 4.032 20 30 EIEDRO CCC[N@H+](CCOc1ccccc1C(C)=O)Cc1ccc(C#N)cc1 ZINC000502056879 1035817201 /nfs/dbraw/zinc/81/72/01/1035817201.db2.gz RJBVOZFTGGDTST-UHFFFAOYSA-N 1 0 336.435 4.052 20 30 EIEDRO N#Cc1ccc(OC2CC[NH+]([C@@H]3CCc4ccccc43)CC2)c(F)c1 ZINC000586783562 1035846282 /nfs/dbraw/zinc/84/62/82/1035846282.db2.gz MBPWITHJVWNQGB-HXUWFJFHSA-N 1 0 336.410 4.228 20 30 EIEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000586789698 1035847430 /nfs/dbraw/zinc/84/74/30/1035847430.db2.gz QWWBJBPXNSFQER-NRFANRHFSA-N 1 0 325.500 4.476 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccc(Br)cc1F ZINC000586796672 1035849359 /nfs/dbraw/zinc/84/93/59/1035849359.db2.gz SOGGSCGOTMFGJU-GVXVVHGQSA-N 1 0 325.225 4.321 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccc(Br)cc1F ZINC000586796670 1035850309 /nfs/dbraw/zinc/85/03/09/1035850309.db2.gz SOGGSCGOTMFGJU-DMDPSCGWSA-N 1 0 325.225 4.321 20 30 EIEDRO C=CCOc1cccc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)c1 ZINC000760648239 1035861218 /nfs/dbraw/zinc/86/12/18/1035861218.db2.gz FUWCPHLQVCQWOI-UHFFFAOYSA-N 1 0 337.463 4.171 20 30 EIEDRO CCN(Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000060197828 1035896787 /nfs/dbraw/zinc/89/67/87/1035896787.db2.gz XIRFCCWZFOGPLX-PGRDOPGGSA-N 1 0 333.479 4.216 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC(c3ccc(Br)cc3)CC2)o1 ZINC000502303210 1036060892 /nfs/dbraw/zinc/06/08/92/1036060892.db2.gz SGTVTHYQWHRYMK-UHFFFAOYSA-N 1 0 345.240 4.293 20 30 EIEDRO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596998305 1036072499 /nfs/dbraw/zinc/07/24/99/1036072499.db2.gz LTXMESKOSCLFFJ-UWJYYQICSA-N 1 0 332.447 4.204 20 30 EIEDRO N#C[C@@H]1CC[C@H](Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000571563121 1036087033 /nfs/dbraw/zinc/08/70/33/1036087033.db2.gz QMJIRYXDWPQKFX-AEFFLSMTSA-N 1 0 329.513 4.369 20 30 EIEDRO Cc1c(Br)cncc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000597161831 1036135758 /nfs/dbraw/zinc/13/57/58/1036135758.db2.gz RITAWVGTVZESPF-CYBMUJFWSA-N 1 0 344.256 4.217 20 30 EIEDRO N#CC[C@H]1CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000597176988 1036141785 /nfs/dbraw/zinc/14/17/85/1036141785.db2.gz LDFYNTLBOKYOJL-QGZVFWFLSA-N 1 0 349.482 4.186 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc(C)c1OCc1ccccn1 ZINC000597173858 1036143551 /nfs/dbraw/zinc/14/35/51/1036143551.db2.gz LVXRSUNHTMDCBD-LJQANCHMSA-N 1 0 349.478 4.403 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cc(C)sc2C)ccc1OC ZINC000760676259 1036195506 /nfs/dbraw/zinc/19/55/06/1036195506.db2.gz WNPXIRZQNGFUFQ-KRWDZBQOSA-N 1 0 344.480 4.344 20 30 EIEDRO COCC[C@H]1CCC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000502433696 1036224474 /nfs/dbraw/zinc/22/44/74/1036224474.db2.gz WIGATDJZHUXQDO-WQUXRXDGSA-N 1 0 342.483 4.043 20 30 EIEDRO C=CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000502470856 1036229388 /nfs/dbraw/zinc/22/93/88/1036229388.db2.gz XUBXOOLQVAGZSM-CQSZACIVSA-N 1 0 346.833 4.494 20 30 EIEDRO C=CCN(Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000502471349 1036231372 /nfs/dbraw/zinc/23/13/72/1036231372.db2.gz YQOFOWKOOQEHQJ-MRXNPFEDSA-N 1 0 326.415 4.149 20 30 EIEDRO C[C@H](CCC#N)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000602450279 1036451953 /nfs/dbraw/zinc/45/19/53/1036451953.db2.gz WVJBJEZPNZIEGR-CYBMUJFWSA-N 1 0 329.271 4.118 20 30 EIEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000602522680 1036481108 /nfs/dbraw/zinc/48/11/08/1036481108.db2.gz WIGQKOHNMOAQLW-OAHLLOKOSA-N 1 0 339.414 4.107 20 30 EIEDRO N#CC1CCC([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000602511958 1036486003 /nfs/dbraw/zinc/48/60/03/1036486003.db2.gz SMRNZVYYMQCROO-PPSBMQLTSA-N 1 0 331.891 4.149 20 30 EIEDRO N#CC1CCC([NH2+]Cc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 ZINC000602545380 1036488796 /nfs/dbraw/zinc/48/87/96/1036488796.db2.gz NDEYCGQYQSZTQX-UHFFFAOYSA-N 1 0 330.435 4.402 20 30 EIEDRO C[C@H](COc1ccccc1C(F)(F)F)[NH2+]C1CCC(C#N)CC1 ZINC000602526743 1036492952 /nfs/dbraw/zinc/49/29/52/1036492952.db2.gz POHIGKPVGXEACA-IYXRBSQSSA-N 1 0 326.362 4.145 20 30 EIEDRO CC(C)N1CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000602593526 1036501948 /nfs/dbraw/zinc/50/19/48/1036501948.db2.gz ZMLSZEQSZSUTGJ-MDASCCDHSA-N 1 0 335.442 4.018 20 30 EIEDRO CCOc1cccc(/C=N/Cc2ccccc2C[NH+]2CCCC2)c1O ZINC000027121399 1036505897 /nfs/dbraw/zinc/50/58/97/1036505897.db2.gz ZIZWUHHXFPMVCK-PXLXIMEGSA-N 1 0 338.451 4.006 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000602601324 1036508885 /nfs/dbraw/zinc/50/88/85/1036508885.db2.gz KLGRERDYIWSJRR-OXQOHEQNSA-N 1 0 342.458 4.450 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000060830186 1036526303 /nfs/dbraw/zinc/52/63/03/1036526303.db2.gz JLAXJVXRZKRPHW-LJQANCHMSA-N 1 0 344.886 4.297 20 30 EIEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000602644849 1036534957 /nfs/dbraw/zinc/53/49/57/1036534957.db2.gz OTAXFHZIJBRNCA-QGPMSJSTSA-N 1 0 332.875 4.275 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000602648570 1036541323 /nfs/dbraw/zinc/54/13/23/1036541323.db2.gz BZYKKGUHJWULJM-LBPRGKRZSA-N 1 0 341.318 4.462 20 30 EIEDRO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)C1CC(C)(C)C1 ZINC000414532107 1036545783 /nfs/dbraw/zinc/54/57/83/1036545783.db2.gz GZLKYMSCKNLBMC-UHFFFAOYSA-N 1 0 330.472 4.388 20 30 EIEDRO N#CC1CCC([NH2+]CCc2c[nH]c3cccc(Br)c23)CC1 ZINC000602672372 1036548720 /nfs/dbraw/zinc/54/87/20/1036548720.db2.gz XRTIZPAJFHBKDW-UHFFFAOYSA-N 1 0 346.272 4.145 20 30 EIEDRO CC(C)c1ccc(O[C@H](C)C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cc1 ZINC000602654124 1036553550 /nfs/dbraw/zinc/55/35/50/1036553550.db2.gz JSFFOVPJPSKIKJ-ZWKOTPCHSA-N 1 0 344.499 4.266 20 30 EIEDRO N#CCCC[C@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)c1ccccc1 ZINC000602672768 1036553575 /nfs/dbraw/zinc/55/35/75/1036553575.db2.gz ZTKWFLTZRISDRN-OALUTQOASA-N 1 0 337.471 4.451 20 30 EIEDRO N#Cc1cccc(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)n1 ZINC000602660289 1036555003 /nfs/dbraw/zinc/55/50/03/1036555003.db2.gz BPHIBVRIDDMUDI-QGZVFWFLSA-N 1 0 347.340 4.093 20 30 EIEDRO N#CC1CCC([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)CC1 ZINC000602699222 1036565250 /nfs/dbraw/zinc/56/52/50/1036565250.db2.gz NPKWKQAVLKCTAZ-UHFFFAOYSA-N 1 0 325.387 4.185 20 30 EIEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000602680911 1036569379 /nfs/dbraw/zinc/56/93/79/1036569379.db2.gz HKHSZNCWHAZCGG-IINYFYTJSA-N 1 0 325.225 4.105 20 30 EIEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000602706537 1036580233 /nfs/dbraw/zinc/58/02/33/1036580233.db2.gz PYNBAQLWJLFQFJ-FYYLOGMGSA-N 1 0 345.490 4.058 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](C(=O)OC(C)(C)C)c2ccccc21 ZINC000602711696 1036581466 /nfs/dbraw/zinc/58/14/66/1036581466.db2.gz JIGGNIODPMVBKK-JLSDUUJJSA-N 1 0 328.456 4.086 20 30 EIEDRO N#Cc1c(F)cccc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000060864901 1036583977 /nfs/dbraw/zinc/58/39/77/1036583977.db2.gz UXPKQBBYSHBXEI-UHFFFAOYSA-N 1 0 329.444 4.083 20 30 EIEDRO COc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(Cl)cc1O ZINC000602713171 1036587961 /nfs/dbraw/zinc/58/79/61/1036587961.db2.gz ZGFXSIRVHQQTGQ-UHFFFAOYSA-N 1 0 342.826 4.095 20 30 EIEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1cc(F)c(Br)cc1F ZINC000602719414 1036591177 /nfs/dbraw/zinc/59/11/77/1036591177.db2.gz CUZNKAKAWOMERA-WHXUTIOJSA-N 1 0 343.215 4.460 20 30 EIEDRO C[C@H](CCC#N)C[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1 ZINC000602720185 1036591832 /nfs/dbraw/zinc/59/18/32/1036591832.db2.gz DDIWLHGOGONXRJ-MRXNPFEDSA-N 1 0 344.503 4.312 20 30 EIEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cc(F)c(Br)cc1F ZINC000602719412 1036593411 /nfs/dbraw/zinc/59/34/11/1036593411.db2.gz CUZNKAKAWOMERA-KPPDAEKUSA-N 1 0 343.215 4.460 20 30 EIEDRO C[C@H](CCC#N)C[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000602724063 1036597528 /nfs/dbraw/zinc/59/75/28/1036597528.db2.gz GKNQEQXSIVORGE-WBMJQRKESA-N 1 0 328.287 4.126 20 30 EIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602791957 1036626170 /nfs/dbraw/zinc/62/61/70/1036626170.db2.gz YVCZIUZPCOAPCM-QGZVFWFLSA-N 1 0 336.483 4.490 20 30 EIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000060892978 1036629155 /nfs/dbraw/zinc/62/91/55/1036629155.db2.gz ODPIQAPWQMTRQU-QGZVFWFLSA-N 1 0 345.512 4.383 20 30 EIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000060949612 1036697221 /nfs/dbraw/zinc/69/72/21/1036697221.db2.gz CLXCQQRYMFRVJK-UHFFFAOYSA-N 1 0 348.418 4.183 20 30 EIEDRO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000598586261 1036704261 /nfs/dbraw/zinc/70/42/61/1036704261.db2.gz RMYXSSCKEASSIT-AWEZNQCLSA-N 1 0 341.282 4.259 20 30 EIEDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598602286 1036706610 /nfs/dbraw/zinc/70/66/10/1036706610.db2.gz MXMFKGLOJZSGFT-AEFFLSMTSA-N 1 0 332.488 4.063 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000598585058 1036706950 /nfs/dbraw/zinc/70/69/50/1036706950.db2.gz PTWYNLKUQIGBCQ-CQSZACIVSA-N 1 0 334.510 4.113 20 30 EIEDRO Cc1cnccc1OC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000589266791 1036725854 /nfs/dbraw/zinc/72/58/54/1036725854.db2.gz MOIFVQVZSGZPNR-UHFFFAOYSA-N 1 0 349.478 4.235 20 30 EIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC[C@H]3CC3(F)F)c2)c1 ZINC000598647425 1036735933 /nfs/dbraw/zinc/73/59/33/1036735933.db2.gz LYKCZERGVVLKOL-SFHVURJKSA-N 1 0 342.389 4.272 20 30 EIEDRO COc1ccc(C)cc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589308826 1036741609 /nfs/dbraw/zinc/74/16/09/1036741609.db2.gz KQGQSSLFSPKXKU-UHFFFAOYSA-N 1 0 334.341 4.184 20 30 EIEDRO Cc1cccc(C)c1OC[C@@H]([NH2+]Cc1nc(C#N)cs1)C(C)(C)C ZINC000589314702 1036744284 /nfs/dbraw/zinc/74/42/84/1036744284.db2.gz MIPPUNJTTPPPDB-MRXNPFEDSA-N 1 0 343.496 4.215 20 30 EIEDRO CC(C)OC1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589315905 1036744949 /nfs/dbraw/zinc/74/49/49/1036744949.db2.gz IFXSELSUJPUJKH-UHFFFAOYSA-N 1 0 340.389 4.403 20 30 EIEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000598703387 1036749680 /nfs/dbraw/zinc/74/96/80/1036749680.db2.gz HDCQHIBUSKUYRY-RTBURBONSA-N 1 0 342.870 4.320 20 30 EIEDRO Fc1ccc2cc(C[NH2+]CC#Cc3ccc(C(F)(F)F)cc3)[nH]c2c1 ZINC000486698260 1036820721 /nfs/dbraw/zinc/82/07/21/1036820721.db2.gz HZHBOKYDXXJMTF-UHFFFAOYSA-N 1 0 346.327 4.467 20 30 EIEDRO CCC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502941652 1036826130 /nfs/dbraw/zinc/82/61/30/1036826130.db2.gz WWNZDMSFBHNXEZ-QGZVFWFLSA-N 1 0 335.451 4.188 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc(C(F)(F)F)c1 ZINC000598963628 1036830659 /nfs/dbraw/zinc/83/06/59/1036830659.db2.gz AISHRCCEASWHKU-GFCCVEGCSA-N 1 0 334.341 4.436 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)s1 ZINC000421880080 1036831230 /nfs/dbraw/zinc/83/12/30/1036831230.db2.gz NZWSFPRGLOGAQA-MSOLQXFVSA-N 1 0 346.883 4.153 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)s1 ZINC000421879452 1036831339 /nfs/dbraw/zinc/83/13/39/1036831339.db2.gz NEUSZBRFIZOJPC-UGSOOPFHSA-N 1 0 330.428 4.016 20 30 EIEDRO N#Cc1ccc(C2([NH2+]C/C=C\c3ccc(F)cc3)CCOCC2)cc1 ZINC000599002335 1036842943 /nfs/dbraw/zinc/84/29/43/1036842943.db2.gz PSNNOLWBOBUULA-UPHRSURJSA-N 1 0 336.410 4.006 20 30 EIEDRO N#Cc1ccc(C2([NH2+]Cc3coc4ccccc34)CCOCC2)cc1 ZINC000599002367 1036843496 /nfs/dbraw/zinc/84/34/96/1036843496.db2.gz UFDJXIIFIJCBEM-UHFFFAOYSA-N 1 0 332.403 4.100 20 30 EIEDRO N#Cc1csc(C[NH2+][C@H](CCO)c2cc(Cl)cc(Cl)c2)c1 ZINC000599017050 1036852919 /nfs/dbraw/zinc/85/29/19/1036852919.db2.gz WLIPHNDSHXVCSK-OAHLLOKOSA-N 1 0 341.263 4.140 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(C)c2)cc1OC ZINC000486799195 1036857903 /nfs/dbraw/zinc/85/79/03/1036857903.db2.gz DXFWMBPOBSYZRH-IBGZPJMESA-N 1 0 336.435 4.221 20 30 EIEDRO Cc1nc(N2CCC(C[NH+]3CCCCCC3)CC2)c(Cl)cc1C#N ZINC000589685156 1036864817 /nfs/dbraw/zinc/86/48/17/1036864817.db2.gz ORXNPPFTHZHOSB-UHFFFAOYSA-N 1 0 346.906 4.008 20 30 EIEDRO Cc1nc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)c(Cl)cc1C#N ZINC000589692106 1036867258 /nfs/dbraw/zinc/86/72/58/1036867258.db2.gz YGBSUDUMEBBAJF-MRXNPFEDSA-N 1 0 342.830 4.044 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000589727674 1036870663 /nfs/dbraw/zinc/87/06/63/1036870663.db2.gz JXUBSYOIQLYAMY-LAUBAEHRSA-N 1 0 349.453 4.191 20 30 EIEDRO COc1ccc([C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C2CC2)cn1 ZINC000599095987 1036876901 /nfs/dbraw/zinc/87/69/01/1036876901.db2.gz JZQKMPBWFGDHKO-CTNGQTDRSA-N 1 0 333.435 4.080 20 30 EIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cc(C#N)ccc1F ZINC000603602038 1036895914 /nfs/dbraw/zinc/89/59/14/1036895914.db2.gz SKPPJOCMCOVPJL-UHFFFAOYSA-N 1 0 332.806 4.252 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+]CC3CCCCCC3)CC2)c1 ZINC000593693309 1036898299 /nfs/dbraw/zinc/89/82/99/1036898299.db2.gz UBLIGJOZSOXNII-UHFFFAOYSA-N 1 0 325.500 4.083 20 30 EIEDRO CC1(C)CCCC[C@H]1[NH2+]C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593701573 1036904125 /nfs/dbraw/zinc/90/41/25/1036904125.db2.gz FZYMBVMLVUMRAQ-HXUWFJFHSA-N 1 0 325.500 4.081 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)c(F)c1 ZINC000589945442 1036912778 /nfs/dbraw/zinc/91/27/78/1036912778.db2.gz FHNJRPICEAMKIK-MGPUTAFESA-N 1 0 342.389 4.094 20 30 EIEDRO N#Cc1cccc(CN2CCC([NH2+][C@@H]3CCC[C@H]3CCCF)CC2)c1 ZINC000593725449 1036939682 /nfs/dbraw/zinc/93/96/82/1036939682.db2.gz LQYTZRHGHUXUDL-PZJWPPBQSA-N 1 0 343.490 4.031 20 30 EIEDRO CCC[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000593725941 1036943335 /nfs/dbraw/zinc/94/33/35/1036943335.db2.gz SMXRWJZZTZQBNG-NRFANRHFSA-N 1 0 325.500 4.081 20 30 EIEDRO N#CC1(C[C@H](O)C[NH2+][C@H](c2cccc(Cl)c2)C2CCCC2)CC1 ZINC000599353562 1036969126 /nfs/dbraw/zinc/96/91/26/1036969126.db2.gz ISOBXLRAELRUIQ-ROUUACIJSA-N 1 0 332.875 4.216 20 30 EIEDRO CC(C)(C)C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000599357414 1036974056 /nfs/dbraw/zinc/97/40/56/1036974056.db2.gz TXDCSYDBEHSYLD-DLBZAZTESA-N 1 0 334.891 4.462 20 30 EIEDRO Cc1ccc(C[NH2+][C@@H](CC(=O)OC(C)C)c2ccccc2)cc1C#N ZINC000599362124 1036976131 /nfs/dbraw/zinc/97/61/31/1036976131.db2.gz NGNPUDNHRXGUEO-FQEVSTJZSA-N 1 0 336.435 4.039 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000590119756 1036981032 /nfs/dbraw/zinc/98/10/32/1036981032.db2.gz NFHZLLCYJZIYDT-UHFFFAOYSA-N 1 0 348.490 4.014 20 30 EIEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000599420356 1036994950 /nfs/dbraw/zinc/99/49/50/1036994950.db2.gz FIEVLLFVABXGBV-BLLLJJGKSA-N 1 0 339.266 4.089 20 30 EIEDRO N#CC1(C[C@H](O)C[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000599420357 1036996118 /nfs/dbraw/zinc/99/61/18/1036996118.db2.gz FIEVLLFVABXGBV-LRDDRELGSA-N 1 0 339.266 4.089 20 30 EIEDRO C[N@H+](Cc1ccccc1NC(=O)CC1(C#N)CC1)C1CCCCC1 ZINC000590140230 1037006014 /nfs/dbraw/zinc/00/60/14/1037006014.db2.gz IIMQGGYBZRZPMN-UHFFFAOYSA-N 1 0 325.456 4.083 20 30 EIEDRO CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccnc(C#N)c1 ZINC000590202333 1037007669 /nfs/dbraw/zinc/00/76/69/1037007669.db2.gz SKBFHMTVDIWALF-LJQANCHMSA-N 1 0 327.859 4.354 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)c1ccc(OCC#N)cc1 ZINC000271823946 1037023467 /nfs/dbraw/zinc/02/34/67/1037023467.db2.gz CUUXPMWDFMCMBA-FUHWJXTLSA-N 1 0 328.456 4.121 20 30 EIEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(Br)cc2Cl)C1 ZINC000590263993 1037038413 /nfs/dbraw/zinc/03/84/13/1037038413.db2.gz IMKWNOAMPLCBTJ-BXUZGUMPSA-N 1 0 341.680 4.317 20 30 EIEDRO CC(C)([NH2+]CCCC1(C#N)CCOCC1)c1nc2ccccc2s1 ZINC000599533327 1037063695 /nfs/dbraw/zinc/06/36/95/1037063695.db2.gz LDIXHPLPSBEEMM-UHFFFAOYSA-N 1 0 343.496 4.222 20 30 EIEDRO CC(C)([NH2+]Cc1cc(C#N)cs1)c1ccc(Br)cc1 ZINC000093492354 1037079286 /nfs/dbraw/zinc/07/92/86/1037079286.db2.gz IUJUUEMBYRAVCE-UHFFFAOYSA-N 1 0 335.270 4.407 20 30 EIEDRO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599583586 1037086861 /nfs/dbraw/zinc/08/68/61/1037086861.db2.gz SHBLEUPFCVCVAT-SJORKVTESA-N 1 0 334.504 4.150 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(Br)nc1C ZINC001232323479 1037096858 /nfs/dbraw/zinc/09/68/58/1037096858.db2.gz CDWIJFRWELPIJB-UHFFFAOYSA-N 1 0 331.257 4.341 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599640731 1037107073 /nfs/dbraw/zinc/10/70/73/1037107073.db2.gz CRNCMVKOXMSGJU-UHFFFAOYSA-N 1 0 344.503 4.312 20 30 EIEDRO CC1(C#N)CCC([NH2+]CCCc2cccc(Br)c2)CC1 ZINC000590645406 1037131463 /nfs/dbraw/zinc/13/14/63/1037131463.db2.gz XIRWPTIHSSHZOC-UHFFFAOYSA-N 1 0 335.289 4.444 20 30 EIEDRO C=CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000604012598 1037147473 /nfs/dbraw/zinc/14/74/73/1037147473.db2.gz UMCMURLCKWFEGL-UHFFFAOYSA-N 1 0 332.425 4.113 20 30 EIEDRO COC(=O)c1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1Cl ZINC000590712999 1037148743 /nfs/dbraw/zinc/14/87/43/1037148743.db2.gz TXQBIVPVNRWFPU-GOSISDBHSA-N 1 0 342.826 4.261 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc(-c2ccccc2)nn1C ZINC000590778503 1037162980 /nfs/dbraw/zinc/16/29/80/1037162980.db2.gz QSCBAJILSPRQAO-YWZLYKJASA-N 1 0 342.446 4.297 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCC(OC(F)F)CC1 ZINC000590780133 1037163612 /nfs/dbraw/zinc/16/36/12/1037163612.db2.gz MDTFLJPPWUCGED-HTWSVDAQSA-N 1 0 334.410 4.466 20 30 EIEDRO C=CCC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000487596145 1037163614 /nfs/dbraw/zinc/16/36/14/1037163614.db2.gz OAVAZVQGGQOOAN-SFTDATJTSA-N 1 0 336.479 4.156 20 30 EIEDRO N#CCSCCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000272854946 1037310536 /nfs/dbraw/zinc/31/05/36/1037310536.db2.gz PKSMUHMHMXVHRF-GOSISDBHSA-N 1 0 345.899 4.255 20 30 EIEDRO C[C@H]1C[C@@H](CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC000273157750 1037367946 /nfs/dbraw/zinc/36/79/46/1037367946.db2.gz JRIXLURPEKGUSO-KHQYNDFOSA-N 1 0 326.484 4.185 20 30 EIEDRO COc1cccc(C[N@@H+](Cc2cc(C#N)ccc2F)CC(C)C)c1 ZINC000604494586 1037405562 /nfs/dbraw/zinc/40/55/62/1037405562.db2.gz ANPQVKFUVZPWKH-UHFFFAOYSA-N 1 0 326.415 4.364 20 30 EIEDRO COC(=O)c1cccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000604494805 1037408350 /nfs/dbraw/zinc/40/83/50/1037408350.db2.gz BWLGANCQLWVIJB-UHFFFAOYSA-N 1 0 336.435 4.003 20 30 EIEDRO Cc1cc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)ccc1C#N ZINC000488213646 1037420587 /nfs/dbraw/zinc/42/05/87/1037420587.db2.gz SIXGNKDABCYHKP-UHFFFAOYSA-N 1 0 328.419 4.032 20 30 EIEDRO Cc1cc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)ccc1C#N ZINC000488222560 1037422704 /nfs/dbraw/zinc/42/27/04/1037422704.db2.gz RVMADKKGOCBHFM-UHFFFAOYSA-N 1 0 340.854 4.316 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CCC2CCCCC2)CC1 ZINC000604588135 1037448677 /nfs/dbraw/zinc/44/86/77/1037448677.db2.gz QOYOQWFVCSMDOX-QGZVFWFLSA-N 1 0 335.536 4.075 20 30 EIEDRO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000171562912 1037486051 /nfs/dbraw/zinc/48/60/51/1037486051.db2.gz URSPDGPXILCYIV-MRXNPFEDSA-N 1 0 346.430 4.429 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000591709904 1037558006 /nfs/dbraw/zinc/55/80/06/1037558006.db2.gz ZPLGACUGBHBQMW-WIYYLYMNSA-N 1 0 336.479 4.177 20 30 EIEDRO C=CC[C@H](C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)c1ccccc1 ZINC000488704523 1037716098 /nfs/dbraw/zinc/71/60/98/1037716098.db2.gz SHLOECJIGLNMJR-QIJUGHKUSA-N 1 0 348.490 4.298 20 30 EIEDRO CC[N@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccncc1C#N ZINC000592125884 1037737263 /nfs/dbraw/zinc/73/72/63/1037737263.db2.gz NBZZYDUCZMZKRF-UHFFFAOYSA-N 1 0 333.357 4.037 20 30 EIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCC(C)(C)C ZINC000592145503 1037738980 /nfs/dbraw/zinc/73/89/80/1037738980.db2.gz WOJGKFVHNYOKOQ-OAHLLOKOSA-N 1 0 347.528 4.387 20 30 EIEDRO C=CC[NH+](CC=C)[C@H](CNC(=S)Nc1cccc(C)c1C)C(C)C ZINC000911614579 1037784222 /nfs/dbraw/zinc/78/42/22/1037784222.db2.gz YBOANJSDXLQKKJ-LJQANCHMSA-N 1 0 345.556 4.288 20 30 EIEDRO N#CCc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)cc1 ZINC000592391600 1037794462 /nfs/dbraw/zinc/79/44/62/1037794462.db2.gz GJGJCOYWLLTLIF-SFHVURJKSA-N 1 0 326.827 4.410 20 30 EIEDRO Cc1cc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)ccc1C#N ZINC000488996960 1037830976 /nfs/dbraw/zinc/83/09/76/1037830976.db2.gz PBYSTLJTMIOPCQ-OALUTQOASA-N 1 0 326.827 4.140 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000172116971 1037858606 /nfs/dbraw/zinc/85/86/06/1037858606.db2.gz RPJYASUYQOVEHU-FCHUYYIVSA-N 1 0 335.447 4.099 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000605847189 1037860296 /nfs/dbraw/zinc/86/02/96/1037860296.db2.gz IUKIIYQCSDLVSH-GOSISDBHSA-N 1 0 343.515 4.169 20 30 EIEDRO C=CCCCN(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000605850035 1037872863 /nfs/dbraw/zinc/87/28/63/1037872863.db2.gz UKXYWCJXUMYYPM-GOSISDBHSA-N 1 0 343.515 4.026 20 30 EIEDRO C=C(C)COc1cccc(NC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000605920882 1037876914 /nfs/dbraw/zinc/87/69/14/1037876914.db2.gz TXSASMMMSAWCMV-UHFFFAOYSA-N 1 0 345.487 4.075 20 30 EIEDRO C=CCOc1ccccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000111395311 1037895559 /nfs/dbraw/zinc/89/55/59/1037895559.db2.gz WGDUUQGSWOWBBS-UHFFFAOYSA-N 1 0 348.240 4.009 20 30 EIEDRO C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(C[C@H](C#N)CO)c2)cc1 ZINC000592987356 1037896329 /nfs/dbraw/zinc/89/63/29/1037896329.db2.gz YVJGZIGXSGWNQE-FXAWDEMLSA-N 1 0 334.463 4.012 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000489280544 1037922462 /nfs/dbraw/zinc/92/24/62/1037922462.db2.gz NJCBOLRYCFHQLM-LJQANCHMSA-N 1 0 343.515 4.032 20 30 EIEDRO CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CCCC#N)nc1 ZINC000574192686 1037949308 /nfs/dbraw/zinc/94/93/08/1037949308.db2.gz CWKOVXDMGDEPMM-FQEVSTJZSA-N 1 0 341.886 4.345 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000592398852 1037958193 /nfs/dbraw/zinc/95/81/93/1037958193.db2.gz UWIVOETVAIVMOU-CEMLEFRQSA-N 1 0 347.462 4.231 20 30 EIEDRO C#CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000150734167 1038016184 /nfs/dbraw/zinc/01/61/84/1038016184.db2.gz WUMFIRGZKAOYPO-UHFFFAOYSA-N 1 0 328.843 4.207 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)C1 ZINC000593660162 1038120020 /nfs/dbraw/zinc/12/00/20/1038120020.db2.gz CGBICINQWXRWDK-GOEBONIOSA-N 1 0 325.387 4.185 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1ccc(C#N)cc1F ZINC000423424802 1038213148 /nfs/dbraw/zinc/21/31/48/1038213148.db2.gz DDHJONCNYNHDNJ-KPZWWZAWSA-N 1 0 339.414 4.233 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCCOc2ccc(Cl)cc2Cl)cc1 ZINC000063319496 1038217166 /nfs/dbraw/zinc/21/71/66/1038217166.db2.gz XNHOVYCNMILLON-UHFFFAOYSA-N 1 0 335.234 4.424 20 30 EIEDRO C[N@H+](Cc1ccccc1NC(=O)CCCCC#N)C1CCCCC1 ZINC000593950444 1038227562 /nfs/dbraw/zinc/22/75/62/1038227562.db2.gz CIGFQZDDDLYZEZ-UHFFFAOYSA-N 1 0 327.472 4.474 20 30 EIEDRO Cc1c([C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N)cnn1-c1ccc(F)cc1 ZINC000924849740 1038267441 /nfs/dbraw/zinc/26/74/41/1038267441.db2.gz OBTVQPQHAIEXBY-ZIAGYGMSSA-N 1 0 328.435 4.299 20 30 EIEDRO C=CCCCCCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000606966325 1038325370 /nfs/dbraw/zinc/32/53/70/1038325370.db2.gz KZVRWDAPPLPZAB-HXUWFJFHSA-N 1 0 343.515 4.211 20 30 EIEDRO N#CCCCC[C@H]([NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000594433531 1038332270 /nfs/dbraw/zinc/33/22/70/1038332270.db2.gz GJNLVYOSUXZFRC-ROUUACIJSA-N 1 0 347.890 4.099 20 30 EIEDRO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594434214 1038333565 /nfs/dbraw/zinc/33/35/65/1038333565.db2.gz XWBZMKDIJDPWKV-DYESRHJHSA-N 1 0 349.478 4.284 20 30 EIEDRO N#CCCCC[C@@H]([NH3+])C(=O)NC1(c2ccc(Cl)cc2)CCCCC1 ZINC000594440142 1038335122 /nfs/dbraw/zinc/33/51/22/1038335122.db2.gz UUXJJSOILPWERO-QGZVFWFLSA-N 1 0 347.890 4.027 20 30 EIEDRO CC(C)Cc1ccc([C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C(C)C)cc1 ZINC000594424889 1038341451 /nfs/dbraw/zinc/34/14/51/1038341451.db2.gz DKZWMDBAWKZUIM-UXHICEINSA-N 1 0 343.515 4.110 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000594498724 1038346190 /nfs/dbraw/zinc/34/61/90/1038346190.db2.gz USOMGBGQJYDEPM-IBGZPJMESA-N 1 0 326.484 4.459 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000594496801 1038346290 /nfs/dbraw/zinc/34/62/90/1038346290.db2.gz WBVBSPHRCKYEOA-SFTDATJTSA-N 1 0 334.463 4.498 20 30 EIEDRO CCOc1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cc1OC ZINC000594495386 1038346557 /nfs/dbraw/zinc/34/65/57/1038346557.db2.gz RLZUXVAPTGDDEO-UHFFFAOYSA-N 1 0 338.451 4.185 20 30 EIEDRO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594501199 1038348141 /nfs/dbraw/zinc/34/81/41/1038348141.db2.gz SSMQIEPEAXFEIL-MGPUTAFESA-N 1 0 340.442 4.493 20 30 EIEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000594499389 1038348952 /nfs/dbraw/zinc/34/89/52/1038348952.db2.gz GJHWPXBWYKIXNN-SFTDATJTSA-N 1 0 334.463 4.498 20 30 EIEDRO Cc1csc(CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594503536 1038350693 /nfs/dbraw/zinc/35/06/93/1038350693.db2.gz YCPQFUVLOVESMS-UHFFFAOYSA-N 1 0 327.497 4.365 20 30 EIEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(-n2cccn2)cc1 ZINC000594517140 1038359301 /nfs/dbraw/zinc/35/93/01/1038359301.db2.gz VPNDPCIHLCWSHF-KRWDZBQOSA-N 1 0 342.446 4.474 20 30 EIEDRO COC(=O)c1csc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594519706 1038361243 /nfs/dbraw/zinc/36/12/43/1038361243.db2.gz XXOPVGOMAYTLNG-CYBMUJFWSA-N 1 0 340.448 4.136 20 30 EIEDRO C[NH+](C)[C@H]1CCOc2c(NCc3ccc(C(C)(C)C#N)cc3)cccc21 ZINC000594522650 1038362421 /nfs/dbraw/zinc/36/24/21/1038362421.db2.gz MRRXVGJUNPHBEX-FQEVSTJZSA-N 1 0 349.478 4.485 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c(C(F)(F)F)c1 ZINC000594616247 1038381714 /nfs/dbraw/zinc/38/17/14/1038381714.db2.gz UIZZMROGPIQMGO-IAGOWNOFSA-N 1 0 338.373 4.014 20 30 EIEDRO C[C@@H]1CCCN(c2c(C#N)cnc3c(Cl)cccc32)[C@@H]1CCC[NH3+] ZINC000594659350 1038385787 /nfs/dbraw/zinc/38/57/87/1038385787.db2.gz WBSOCAGGOZCFND-CXAGYDPISA-N 1 0 342.874 4.104 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1Cl ZINC000608064169 1038472397 /nfs/dbraw/zinc/47/23/97/1038472397.db2.gz XQEAPKQRKBCNBC-ZTFGCOKTSA-N 1 0 335.875 4.198 20 30 EIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594945129 1038516049 /nfs/dbraw/zinc/51/60/49/1038516049.db2.gz MJCHLLMGXWCXOY-OAHLLOKOSA-N 1 0 336.483 4.353 20 30 EIEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000594957380 1038539262 /nfs/dbraw/zinc/53/92/62/1038539262.db2.gz ZSCDAIRECKSASO-LYGPFTKASA-N 1 0 331.891 4.228 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000424190294 1038729852 /nfs/dbraw/zinc/72/98/52/1038729852.db2.gz FTHKEQDOZGHARK-WBVHZDCISA-N 1 0 348.475 4.383 20 30 EIEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1OCc1ccccc1 ZINC000424198447 1038733199 /nfs/dbraw/zinc/73/31/99/1038733199.db2.gz PHOPOHSJHPSRIJ-PKOBYXMFSA-N 1 0 336.435 4.056 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000424289760 1038768689 /nfs/dbraw/zinc/76/86/89/1038768689.db2.gz ADXWAILOCIHDEM-WTANOLMUSA-N 1 0 345.874 4.076 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000424293121 1038771262 /nfs/dbraw/zinc/77/12/62/1038771262.db2.gz IAXUPJXJLSCVSI-SLEUVZQESA-N 1 0 342.302 4.142 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000424300900 1038779159 /nfs/dbraw/zinc/77/91/59/1038779159.db2.gz YRXZRVDRAGLXTC-KOZAUXTDSA-N 1 0 336.273 4.178 20 30 EIEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)COC2)C(C)C ZINC000480759741 1038800958 /nfs/dbraw/zinc/80/09/58/1038800958.db2.gz PZCFTEWGTMOISN-LAUBAEHRSA-N 1 0 328.500 4.066 20 30 EIEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)C1 ZINC000424317829 1038802374 /nfs/dbraw/zinc/80/23/74/1038802374.db2.gz CIQQMFIVQUFECU-GDIGMMSISA-N 1 0 325.843 4.301 20 30 EIEDRO C=CCCc1ccccc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000505035576 1038910411 /nfs/dbraw/zinc/91/04/11/1038910411.db2.gz NTOZBNBMKFWVPH-SJORKVTESA-N 1 0 329.488 4.047 20 30 EIEDRO COc1cc(C)c([C@H](C)[NH2+]CC#Cc2ccccc2Cl)cc1OC ZINC000539296987 1038945687 /nfs/dbraw/zinc/94/56/87/1038945687.db2.gz HTWJQONWFIQPSS-HNNXBMFYSA-N 1 0 343.854 4.368 20 30 EIEDRO C=C(C)C(C)(C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000424630448 1038972645 /nfs/dbraw/zinc/97/26/45/1038972645.db2.gz SWDPGCLKRRCNIB-UHFFFAOYSA-N 1 0 332.513 4.085 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N[C@H](C)CC)c1ccc(C(F)(F)F)cc1 ZINC000539331348 1038981264 /nfs/dbraw/zinc/98/12/64/1038981264.db2.gz JBVUWTXEWPNPIW-CJNGLKHVSA-N 1 0 342.405 4.217 20 30 EIEDRO C=CCC[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1ccco1 ZINC000552048589 1039069207 /nfs/dbraw/zinc/06/92/07/1039069207.db2.gz XNSKFFHUNSXCJP-DLBZAZTESA-N 1 0 334.410 4.458 20 30 EIEDRO Cc1ccccc1C(C)(C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552048032 1039070197 /nfs/dbraw/zinc/07/01/97/1039070197.db2.gz FDUGMOJDZBACBU-UHFFFAOYSA-N 1 0 347.506 4.403 20 30 EIEDRO CCN(Cc1ccc(Br)c(C#N)c1)Cc1ccccc1F ZINC001232899134 1039118611 /nfs/dbraw/zinc/11/86/11/1039118611.db2.gz MVWIAOUCVJJBHV-UHFFFAOYSA-N 1 0 347.231 4.482 20 30 EIEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(-c2nc(C(=O)OC)cs2)c1 ZINC000477844867 1039120669 /nfs/dbraw/zinc/12/06/69/1039120669.db2.gz BMBWFCXHNVNBPE-ZDUSSCGKSA-N 1 0 330.453 4.041 20 30 EIEDRO C=CCC[C@@H]([NH2+]CC1(c2ccc(OC)cc2)CCOCC1)C1CC1 ZINC000120474927 1039125766 /nfs/dbraw/zinc/12/57/66/1039125766.db2.gz CRJOJJXVIMKEFG-HXUWFJFHSA-N 1 0 329.484 4.078 20 30 EIEDRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665100 1039268486 /nfs/dbraw/zinc/26/84/86/1039268486.db2.gz IPPVUGANEUGKKJ-NHCUHLMSSA-N 1 0 340.442 4.408 20 30 EIEDRO N#CCC[C@H](NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000090665636 1039275623 /nfs/dbraw/zinc/27/56/23/1039275623.db2.gz SVVRHSVGSGYLFH-NRFANRHFSA-N 1 0 325.500 4.418 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000481358862 1039340702 /nfs/dbraw/zinc/34/07/02/1039340702.db2.gz JWKOEXNSXJYFKQ-SGTLLEGYSA-N 1 0 332.806 4.217 20 30 EIEDRO C=CC[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000600187295 1039350422 /nfs/dbraw/zinc/35/04/22/1039350422.db2.gz XFQSFJXVNWQMQO-CYBMUJFWSA-N 1 0 329.425 4.116 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cc1 ZINC000552319975 1039374899 /nfs/dbraw/zinc/37/48/99/1039374899.db2.gz VQYNZEBYWTZQEE-QGZVFWFLSA-N 1 0 333.435 4.288 20 30 EIEDRO N#CCc1cccc2c1CCN(Cc1cnc(-c3ccco3)s1)C2 ZINC000600212446 1039375740 /nfs/dbraw/zinc/37/57/40/1039375740.db2.gz DABKZTHHFXLOQG-UHFFFAOYSA-N 1 0 335.432 4.027 20 30 EIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2c(Cl)ccc(C)c2C)CC1 ZINC000434472554 1039497259 /nfs/dbraw/zinc/49/72/59/1039497259.db2.gz APXWBCJCRCKABU-UHFFFAOYSA-N 1 0 335.879 4.119 20 30 EIEDRO CC(C)COC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000092223104 1039502477 /nfs/dbraw/zinc/50/24/77/1039502477.db2.gz BJIJZNYDUHWSDY-UHFFFAOYSA-N 1 0 330.472 4.006 20 30 EIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000481517880 1039532535 /nfs/dbraw/zinc/53/25/35/1039532535.db2.gz PYINDPCSLRQCDU-XIKOKIGWSA-N 1 0 332.806 4.217 20 30 EIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(-c2ccccc2)n1 ZINC000092485440 1039550691 /nfs/dbraw/zinc/55/06/91/1039550691.db2.gz JLRCURYZBDVAFZ-XLIONFOSSA-N 1 0 334.467 4.228 20 30 EIEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000478222948 1039560447 /nfs/dbraw/zinc/56/04/47/1039560447.db2.gz DCHFPALRBKDBJC-CYBMUJFWSA-N 1 0 340.298 4.492 20 30 EIEDRO Cc1cc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc(F)c1F ZINC001143610630 1039561183 /nfs/dbraw/zinc/56/11/83/1039561183.db2.gz AJCDGJWVDMHDSP-GOSISDBHSA-N 1 0 342.389 4.188 20 30 EIEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3cccs3)C3CC3)CC2)cc1 ZINC000514081066 1039577935 /nfs/dbraw/zinc/57/79/35/1039577935.db2.gz AJOKATDXLOQHOS-FQEVSTJZSA-N 1 0 337.492 4.329 20 30 EIEDRO C[C@H](c1ccc2ccccc2c1)[N@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000092796193 1039596432 /nfs/dbraw/zinc/59/64/32/1039596432.db2.gz OSAGFXNBXJRABF-QGZVFWFLSA-N 1 0 349.478 4.127 20 30 EIEDRO CCCc1ccc([C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCC2)C(C)C)cc1 ZINC001168349746 1039610181 /nfs/dbraw/zinc/61/01/81/1039610181.db2.gz CGYSPQFOOQOGLB-PMACEKPBSA-N 1 0 328.500 4.371 20 30 EIEDRO C=C(C)[C@@H]([NH2+]CCOc1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000481606837 1039629345 /nfs/dbraw/zinc/62/93/45/1039629345.db2.gz SIPGWFBXWWUIIL-LJQANCHMSA-N 1 0 328.362 4.122 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000042275402 1039629725 /nfs/dbraw/zinc/62/97/25/1039629725.db2.gz VJVXCKMJBDWWAN-AWEZNQCLSA-N 1 0 344.252 4.312 20 30 EIEDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)n1 ZINC000093445090 1039693801 /nfs/dbraw/zinc/69/38/01/1039693801.db2.gz XNDYDZYNIZBLKK-NRFANRHFSA-N 1 0 335.451 4.410 20 30 EIEDRO N#CCCn1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000093441838 1039695908 /nfs/dbraw/zinc/69/59/08/1039695908.db2.gz OLUWSPJIPINSPP-KDURUIRLSA-N 1 0 334.467 4.086 20 30 EIEDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000534729806 1039741311 /nfs/dbraw/zinc/74/13/11/1039741311.db2.gz VCSUKOKEZPVAJZ-CTNGQTDRSA-N 1 0 341.499 4.001 20 30 EIEDRO CN(C)c1cccc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000093845668 1039761411 /nfs/dbraw/zinc/76/14/11/1039761411.db2.gz JJUXUIMKGIYCSL-UHFFFAOYSA-N 1 0 337.467 4.067 20 30 EIEDRO CC1(C)CC[N@H+](Cc2ccc(C#N)cc2Br)CCS1 ZINC000434667640 1039801081 /nfs/dbraw/zinc/80/10/81/1039801081.db2.gz YAZXQSPZVQSCPN-UHFFFAOYSA-N 1 0 339.302 4.038 20 30 EIEDRO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3CCCc3ccccc3)n2c1 ZINC000537646886 1039802406 /nfs/dbraw/zinc/80/24/06/1039802406.db2.gz BQSRLZPGWLPHRJ-HXUWFJFHSA-N 1 0 344.462 4.193 20 30 EIEDRO C=CC[C@@H](C)NC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000537672151 1039885716 /nfs/dbraw/zinc/88/57/16/1039885716.db2.gz XKBHSRNOXBPQHY-QGZVFWFLSA-N 1 0 329.488 4.047 20 30 EIEDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000281923377 1039887704 /nfs/dbraw/zinc/88/77/04/1039887704.db2.gz HIXILQNMDQOUEE-MRXNPFEDSA-N 1 0 334.891 4.303 20 30 EIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000481920890 1039895686 /nfs/dbraw/zinc/89/56/86/1039895686.db2.gz WCTRIGOCANXTSD-WMZHIEFXSA-N 1 0 345.490 4.442 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Br)s1 ZINC000404621648 1039941048 /nfs/dbraw/zinc/94/10/48/1039941048.db2.gz XWGTZHUAQLOFNQ-VIFPVBQESA-N 1 0 339.233 4.372 20 30 EIEDRO COc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1OCCCC#N ZINC000434983017 1039963466 /nfs/dbraw/zinc/96/34/66/1039963466.db2.gz OSMCFYWKRIPQBX-IBGZPJMESA-N 1 0 336.435 4.325 20 30 EIEDRO C=C[C@H](CC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000505587000 1039983249 /nfs/dbraw/zinc/98/32/49/1039983249.db2.gz KZOZPHPTORHBIB-SVMVAKDDSA-N 1 0 336.479 4.154 20 30 EIEDRO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000478913893 1040013245 /nfs/dbraw/zinc/01/32/45/1040013245.db2.gz VBAVTQUEONNLNU-VGOFRKELSA-N 1 0 333.479 4.119 20 30 EIEDRO COc1cccc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000478950148 1040031034 /nfs/dbraw/zinc/03/10/34/1040031034.db2.gz HTBCIPVMJGIMJW-UHFFFAOYSA-N 1 0 333.353 4.198 20 30 EIEDRO CC#CCC[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000482167693 1040056161 /nfs/dbraw/zinc/05/61/61/1040056161.db2.gz YDQURORXCHSBQR-UHFFFAOYSA-N 1 0 329.875 4.462 20 30 EIEDRO CC[NH+](CC)[C@H](CNc1cc(C#N)ccn1)c1ccccc1Cl ZINC000553251729 1040078879 /nfs/dbraw/zinc/07/88/79/1040078879.db2.gz GYNWPFAADLNIQJ-QGZVFWFLSA-N 1 0 328.847 4.102 20 30 EIEDRO C=CCC1(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CCC1 ZINC000479095698 1040127563 /nfs/dbraw/zinc/12/75/63/1040127563.db2.gz YVFQVJIAKZEKHL-UHFFFAOYSA-N 1 0 340.511 4.425 20 30 EIEDRO C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc(C#N)c(F)c1 ZINC000551271837 1040135190 /nfs/dbraw/zinc/13/51/90/1040135190.db2.gz DPACACHKPXUDRG-JTQLQIEISA-N 1 0 338.304 4.289 20 30 EIEDRO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428780821 1040198471 /nfs/dbraw/zinc/19/84/71/1040198471.db2.gz CZSUWDXXQTWVCX-ROUUACIJSA-N 1 0 341.842 4.211 20 30 EIEDRO C=C[C@H](CC(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)c1ccccc1 ZINC000535339821 1040204453 /nfs/dbraw/zinc/20/44/53/1040204453.db2.gz JFUZCLIQJSWLFW-XCJLJZCSSA-N 1 0 340.511 4.210 20 30 EIEDRO C[C@H](c1cccc(C#N)c1)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000249093035 1040210809 /nfs/dbraw/zinc/21/08/09/1040210809.db2.gz DTKLUOZOKIJGGP-UYAOXDASSA-N 1 0 325.500 4.063 20 30 EIEDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000160008939 1040304357 /nfs/dbraw/zinc/30/43/57/1040304357.db2.gz PFUCZADYSJWTGY-SFHVURJKSA-N 1 0 348.494 4.253 20 30 EIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cc(OC)c1O ZINC000482512684 1040318133 /nfs/dbraw/zinc/31/81/33/1040318133.db2.gz WCAMXAJQZQKVNH-DOMZBBRYSA-N 1 0 343.389 4.292 20 30 EIEDRO CC[C@H](C)[NH2+][C@@H](CNc1ncc(Cl)c(C)c1C#N)c1ccco1 ZINC000553603360 1040353182 /nfs/dbraw/zinc/35/31/82/1040353182.db2.gz BEXNOAMPCPZURX-NHYWBVRUSA-N 1 0 332.835 4.049 20 30 EIEDRO C[C@H]([NH2+]CC1CCN(c2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000479463432 1040374215 /nfs/dbraw/zinc/37/42/15/1040374215.db2.gz FREKWUGGVZEAMR-INIZCTEOSA-N 1 0 337.442 4.265 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CCc2ccc(OC)c(F)c2)cc1Cl ZINC000477311920 1040399426 /nfs/dbraw/zinc/39/94/26/1040399426.db2.gz VOSUCVYRIWLFJL-UHFFFAOYSA-N 1 0 349.833 4.385 20 30 EIEDRO C=C(C)CN1CCC([NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000482650799 1040413695 /nfs/dbraw/zinc/41/36/95/1040413695.db2.gz ZVLJPFWEFUKLFN-FQEVSTJZSA-N 1 0 328.500 4.147 20 30 EIEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(NC(=O)C2CCCC2)c1 ZINC000924723297 1040455442 /nfs/dbraw/zinc/45/54/42/1040455442.db2.gz ZRDQCXACQLOWAO-OAHLLOKOSA-N 1 0 327.472 4.233 20 30 EIEDRO CC#CCC[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000462324086 1040488994 /nfs/dbraw/zinc/48/89/94/1040488994.db2.gz KHLSIKBBDJLOTL-UHFFFAOYSA-N 1 0 327.255 4.057 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000462324787 1040492079 /nfs/dbraw/zinc/49/20/79/1040492079.db2.gz DKFFZIMVHFVEPR-INIZCTEOSA-N 1 0 335.451 4.142 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000551689549 1040502577 /nfs/dbraw/zinc/50/25/77/1040502577.db2.gz VEWDSPNPMFTWSD-AWEZNQCLSA-N 1 0 340.920 4.037 20 30 EIEDRO Cc1cnn(CC[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000551702238 1040516615 /nfs/dbraw/zinc/51/66/15/1040516615.db2.gz CZFHFSNVFCYROF-QGZVFWFLSA-N 1 0 330.435 4.081 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000435665015 1040517695 /nfs/dbraw/zinc/51/76/95/1040517695.db2.gz OMTLANAPSVUBGA-XIRDDKMYSA-N 1 0 338.289 4.471 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000482869761 1040529017 /nfs/dbraw/zinc/52/90/17/1040529017.db2.gz SYCKVQBIBFSKSO-HNNXBMFYSA-N 1 0 328.431 4.307 20 30 EIEDRO COc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1OCCCC#N ZINC000160469863 1040537767 /nfs/dbraw/zinc/53/77/67/1040537767.db2.gz YGXBLJINAOUGLB-UHFFFAOYSA-N 1 0 342.414 4.149 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccs1 ZINC000482880897 1040546195 /nfs/dbraw/zinc/54/61/95/1040546195.db2.gz BZHNOHRNPANDHD-WBVHZDCISA-N 1 0 343.471 4.469 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000435730626 1040562816 /nfs/dbraw/zinc/56/28/16/1040562816.db2.gz GIVHMCVERBHWRG-NHYWBVRUSA-N 1 0 330.255 4.073 20 30 EIEDRO CCc1ccc(C2=CC[N@H+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000282082734 1040581118 /nfs/dbraw/zinc/58/11/18/1040581118.db2.gz URVFNRNGIAEWGT-UHFFFAOYSA-N 1 0 338.495 4.439 20 30 EIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000435752238 1040588031 /nfs/dbraw/zinc/58/80/31/1040588031.db2.gz WXZOQNRPKNLHMV-XHDPSFHLSA-N 1 0 331.790 4.012 20 30 EIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1ccc(C#N)c(F)c1 ZINC000539610485 1040607185 /nfs/dbraw/zinc/60/71/85/1040607185.db2.gz YKEBSEHKQPHLSN-RHSMWYFYSA-N 1 0 341.405 4.156 20 30 EIEDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000539609462 1040607410 /nfs/dbraw/zinc/60/74/10/1040607410.db2.gz HKHKKPXNGGWWBL-VPZZIHKRSA-N 1 0 330.378 4.263 20 30 EIEDRO COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000539609326 1040607512 /nfs/dbraw/zinc/60/75/12/1040607512.db2.gz FANKAEISGZNCBV-LSDHHAIUSA-N 1 0 342.414 4.072 20 30 EIEDRO CC#CCN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(C)C ZINC000160574471 1040612954 /nfs/dbraw/zinc/61/29/54/1040612954.db2.gz NQGGWCJTTIVHGV-UHFFFAOYSA-N 1 0 346.780 4.031 20 30 EIEDRO COc1ccc([C@@H]2CCCN2Cc2ccc(F)c(C#N)c2)c(OC)c1 ZINC000160585014 1040616027 /nfs/dbraw/zinc/61/60/27/1040616027.db2.gz PAUANSQMEOMNML-IBGZPJMESA-N 1 0 340.398 4.052 20 30 EIEDRO CC1CCC([N@H+](CCCCC#N)Cc2ccc3c(c2)OCO3)CC1 ZINC000477626820 1040652950 /nfs/dbraw/zinc/65/29/50/1040652950.db2.gz MRZSYOWKOMCERB-UHFFFAOYSA-N 1 0 328.456 4.490 20 30 EIEDRO C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1cccc(C#N)c1 ZINC000539689232 1040701775 /nfs/dbraw/zinc/70/17/75/1040701775.db2.gz NGYUXZLHKGRICK-FGTMMUONSA-N 1 0 349.478 4.341 20 30 EIEDRO Cc1cccc2[nH]c(C[NH2+]C3(c4cccc(C#N)c4)CCOCC3)cc21 ZINC000594980277 1040723823 /nfs/dbraw/zinc/72/38/23/1040723823.db2.gz OGGOTPMMECKNOU-UHFFFAOYSA-N 1 0 345.446 4.144 20 30 EIEDRO C=CCCc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000667029838 1040733372 /nfs/dbraw/zinc/73/33/72/1040733372.db2.gz LPXNZUNVXFLXPK-SFHVURJKSA-N 1 0 341.499 4.049 20 30 EIEDRO C[C@H](NCc1cc(F)ccc1Br)c1ccc(C#N)cc1 ZINC000037996320 1040749378 /nfs/dbraw/zinc/74/93/78/1040749378.db2.gz IRIPZWBICCTAGV-NSHDSACASA-N 1 0 333.204 4.311 20 30 EIEDRO C=CCC1(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)CCC1 ZINC000479864884 1040751202 /nfs/dbraw/zinc/75/12/02/1040751202.db2.gz JRZLNONDIWPRPW-QGZVFWFLSA-N 1 0 342.483 4.092 20 30 EIEDRO CCn1c2ccccc2nc1CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000537721331 1040786054 /nfs/dbraw/zinc/78/60/54/1040786054.db2.gz APFOHJRARMMBGF-UHFFFAOYSA-N 1 0 342.446 4.217 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000479913144 1040789312 /nfs/dbraw/zinc/78/93/12/1040789312.db2.gz HPBMMUFWQMEZEK-YFVAEKQCSA-N 1 0 348.494 4.407 20 30 EIEDRO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(C)cc1 ZINC000539814744 1040807647 /nfs/dbraw/zinc/80/76/47/1040807647.db2.gz RRHXTTRRJMZOCA-UHFFFAOYSA-N 1 0 344.462 4.289 20 30 EIEDRO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000537762360 1040811943 /nfs/dbraw/zinc/81/19/43/1040811943.db2.gz JUDBDWAWVRYCDJ-FQEVSTJZSA-N 1 0 336.435 4.209 20 30 EIEDRO CC[N@H+](CCC1CCN(c2cccc(F)c2C#N)CC1)CC1CC1 ZINC000537824197 1040841019 /nfs/dbraw/zinc/84/10/19/1040841019.db2.gz ZTKSYBMOYKRAET-UHFFFAOYSA-N 1 0 329.463 4.036 20 30 EIEDRO C[C@H](c1ccsc1)[NH+]1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000462703484 1040855220 /nfs/dbraw/zinc/85/52/20/1040855220.db2.gz SVQAWZNTRSXLAJ-OAHLLOKOSA-N 1 0 348.475 4.051 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]Cc1nc2cc(Br)ccc2n1CC ZINC000483513320 1040883902 /nfs/dbraw/zinc/88/39/02/1040883902.db2.gz ZJCQZPZTIXHBAM-GFCCVEGCSA-N 1 0 336.277 4.263 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)C23CCCC3)cc1OC ZINC000462754679 1040890626 /nfs/dbraw/zinc/89/06/26/1040890626.db2.gz JNYIHYTYKWJJAR-UXHICEINSA-N 1 0 345.483 4.087 20 30 EIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+](CCCCC#N)CC2)cc1 ZINC000160968074 1040891463 /nfs/dbraw/zinc/89/14/63/1040891463.db2.gz ZGHZXYCUNAWNPX-UHFFFAOYSA-N 1 0 326.484 4.474 20 30 EIEDRO C=CCCOCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000537949389 1040917488 /nfs/dbraw/zinc/91/74/88/1040917488.db2.gz DEVNUKBVJURKSE-MRXNPFEDSA-N 1 0 328.481 4.370 20 30 EIEDRO C[C@H](CCc1ccco1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537975766 1040943826 /nfs/dbraw/zinc/94/38/26/1040943826.db2.gz ATKBXRUPTIAKPF-PPDQVPDSSA-N 1 0 338.451 4.452 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000483703942 1040967276 /nfs/dbraw/zinc/96/72/76/1040967276.db2.gz YOSMZYSEUHWRGB-AZUAARDMSA-N 1 0 342.389 4.189 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)c1 ZINC000539980789 1040994267 /nfs/dbraw/zinc/99/42/67/1040994267.db2.gz VOAGGBVNRDRBIJ-FOIQADDNSA-N 1 0 329.415 4.256 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)c1 ZINC000539980792 1040994613 /nfs/dbraw/zinc/99/46/13/1040994613.db2.gz VOAGGBVNRDRBIJ-YWZLYKJASA-N 1 0 329.415 4.256 20 30 EIEDRO Fc1cccc2[nH]c(C[NH2+]CC#Cc3ccc(C(F)(F)F)cc3)cc21 ZINC000436288744 1041038625 /nfs/dbraw/zinc/03/86/25/1041038625.db2.gz FWGFBGBAKOFZPB-UHFFFAOYSA-N 1 0 346.327 4.467 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000436293211 1041061544 /nfs/dbraw/zinc/06/15/44/1041061544.db2.gz DEGMROANPFBMOZ-LXZKKBNFSA-N 1 0 343.389 4.260 20 30 EIEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000483967051 1041076446 /nfs/dbraw/zinc/07/64/46/1041076446.db2.gz PZFGLKZRCPQFDO-SFHVURJKSA-N 1 0 336.504 4.253 20 30 EIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000484076898 1041106088 /nfs/dbraw/zinc/10/60/88/1041106088.db2.gz LIZUZDSTZMKEBP-SFHVURJKSA-N 1 0 347.821 4.083 20 30 EIEDRO CC[N@H+](Cc1cccc(C#N)c1F)[C@H](C)Cc1ccc(OC)cc1 ZINC000538148583 1041113948 /nfs/dbraw/zinc/11/39/48/1041113948.db2.gz WJDCHMRVZJRZBL-OAHLLOKOSA-N 1 0 326.415 4.159 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000538194308 1041159224 /nfs/dbraw/zinc/15/92/24/1041159224.db2.gz JUGFIPJBRNTNAS-UONOGXRCSA-N 1 0 346.452 4.159 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000538194954 1041159358 /nfs/dbraw/zinc/15/93/58/1041159358.db2.gz QUMNZDWFRBGIMQ-IEBWSBKVSA-N 1 0 325.452 4.101 20 30 EIEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000538194310 1041160483 /nfs/dbraw/zinc/16/04/83/1041160483.db2.gz JUGFIPJBRNTNAS-ZIAGYGMSSA-N 1 0 346.452 4.159 20 30 EIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000540175953 1041222100 /nfs/dbraw/zinc/22/21/00/1041222100.db2.gz MVFPPPBCTHENOQ-CYBMUJFWSA-N 1 0 332.419 4.420 20 30 EIEDRO C=CCCC[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000538289105 1041224790 /nfs/dbraw/zinc/22/47/90/1041224790.db2.gz CPPSLXKJZVOHBI-LZLYRXPVSA-N 1 0 349.544 4.175 20 30 EIEDRO CC1(C)C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000484353540 1041225044 /nfs/dbraw/zinc/22/50/44/1041225044.db2.gz SXJFMCQUQNKDEY-INIZCTEOSA-N 1 0 340.389 4.238 20 30 EIEDRO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1C#N ZINC000463037023 1041259149 /nfs/dbraw/zinc/25/91/49/1041259149.db2.gz VJEYPJFNPTWGMX-CABCVRRESA-N 1 0 326.362 4.120 20 30 EIEDRO C=CC[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)CC1CCCCC1 ZINC000484482895 1041275547 /nfs/dbraw/zinc/27/55/47/1041275547.db2.gz AWSSMIFWYOSUAC-UHFFFAOYSA-N 1 0 344.503 4.005 20 30 EIEDRO CC(C)(C)CCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538395443 1041316255 /nfs/dbraw/zinc/31/62/55/1041316255.db2.gz CAUDWYWPEOZDHY-UHFFFAOYSA-N 1 0 327.516 4.329 20 30 EIEDRO CC(=O)c1ccc(C#N)c(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)c1 ZINC000480501161 1041350987 /nfs/dbraw/zinc/35/09/87/1041350987.db2.gz NAUPBAFQZJJYGW-JOCHJYFZSA-N 1 0 347.462 4.083 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000554743008 1041374342 /nfs/dbraw/zinc/37/43/42/1041374342.db2.gz LSCHDGNKKMVBEX-HNNXBMFYSA-N 1 0 348.475 4.051 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CC(C)C)c2ccc(Cl)cc2)CC1 ZINC000668369936 1041386928 /nfs/dbraw/zinc/38/69/28/1041386928.db2.gz IRWXLUQAPVBOPV-LJQANCHMSA-N 1 0 348.918 4.236 20 30 EIEDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)Oc1ccccc1F ZINC000538508314 1041396743 /nfs/dbraw/zinc/39/67/43/1041396743.db2.gz HYOJMGDJHCNURU-CJNGLKHVSA-N 1 0 330.378 4.345 20 30 EIEDRO CCCCCn1cc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c(C)n1 ZINC000538510858 1041398048 /nfs/dbraw/zinc/39/80/48/1041398048.db2.gz ORFLBJWLHLAIGP-CQSZACIVSA-N 1 0 328.435 4.243 20 30 EIEDRO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)ccc1C#N ZINC000463209494 1041422138 /nfs/dbraw/zinc/42/21/38/1041422138.db2.gz JOCNQOBLXKHKMW-KQLYMOGASA-N 1 0 326.484 4.018 20 30 EIEDRO CC1(c2ccccc2)CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000538604416 1041437993 /nfs/dbraw/zinc/43/79/93/1041437993.db2.gz VWKGFUZWQUOOLL-UHFFFAOYSA-N 1 0 344.462 4.196 20 30 EIEDRO CC(C)[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCOC1 ZINC000463231303 1041438639 /nfs/dbraw/zinc/43/86/39/1041438639.db2.gz WRKHDYRYSIGLGS-JOCHJYFZSA-N 1 0 348.490 4.386 20 30 EIEDRO CC(C)(C#N)CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000554844422 1041442323 /nfs/dbraw/zinc/44/23/23/1041442323.db2.gz WQVJRDXEBFWADY-FCHUYYIVSA-N 1 0 347.506 4.184 20 30 EIEDRO C[C@@H](CC1CCCCC1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000463234792 1041443239 /nfs/dbraw/zinc/44/32/39/1041443239.db2.gz AUYYAFSKLNIWNF-SFHVURJKSA-N 1 0 339.527 4.471 20 30 EIEDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000516194370 1041446720 /nfs/dbraw/zinc/44/67/20/1041446720.db2.gz FJAURNKCGRBCAK-UHFFFAOYSA-N 1 0 332.488 4.036 20 30 EIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)C(C)(C)c1ccccc1 ZINC000516186074 1041454134 /nfs/dbraw/zinc/45/41/34/1041454134.db2.gz BLAAQXWBIQHWEW-SFHVURJKSA-N 1 0 347.506 4.483 20 30 EIEDRO C=CCN1CCC([NH2+]C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000554854438 1041455522 /nfs/dbraw/zinc/45/55/22/1041455522.db2.gz PFZQMOWUOPNDAZ-CQSZACIVSA-N 1 0 326.406 4.049 20 30 EIEDRO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1 ZINC000540434985 1041465462 /nfs/dbraw/zinc/46/54/62/1041465462.db2.gz AXFBFEBWRAHHPA-MRXNPFEDSA-N 1 0 335.838 4.228 20 30 EIEDRO C=CCC[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000540457689 1041478794 /nfs/dbraw/zinc/47/87/94/1041478794.db2.gz HNSVGNWRRXEHHD-UZLBHIALSA-N 1 0 340.442 4.300 20 30 EIEDRO CC[NH+](CC)[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000425636338 1041503151 /nfs/dbraw/zinc/50/31/51/1041503151.db2.gz JPQUOSPIRBYPAO-UWJYYQICSA-N 1 0 349.478 4.161 20 30 EIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000540609151 1041561506 /nfs/dbraw/zinc/56/15/06/1041561506.db2.gz DKKTWCVJXMNQRC-AVRDEDQJSA-N 1 0 344.462 4.464 20 30 EIEDRO CC1(C)[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCO[C@@H]21 ZINC000540609727 1041562817 /nfs/dbraw/zinc/56/28/17/1041562817.db2.gz YOONVFHDSXSXJP-NJYVYQBISA-N 1 0 332.447 4.128 20 30 EIEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463433187 1041567579 /nfs/dbraw/zinc/56/75/79/1041567579.db2.gz BCKQWQMLXTXGAM-CABCVRRESA-N 1 0 326.362 4.120 20 30 EIEDRO Cc1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(Cl)cc1C#N ZINC000461787512 1041587728 /nfs/dbraw/zinc/58/77/28/1041587728.db2.gz QCQYNTSQYKAJTL-INIZCTEOSA-N 1 0 346.906 4.008 20 30 EIEDRO N#Cc1ccc(C[NH2+]CCOCc2ccc(Cl)cc2Cl)cc1 ZINC000540687204 1041597897 /nfs/dbraw/zinc/59/78/97/1041597897.db2.gz FMAQMQCFBUKPGE-UHFFFAOYSA-N 1 0 335.234 4.171 20 30 EIEDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000540700927 1041604203 /nfs/dbraw/zinc/60/42/03/1041604203.db2.gz ARHNIEQIUUMWGU-HNAYVOBHSA-N 1 0 341.430 4.168 20 30 EIEDRO Cc1ccc2c(CC[NH2+][C@@H](C)c3ccc(C#N)cc3F)cn(C)c2c1 ZINC000437074907 1041625305 /nfs/dbraw/zinc/62/53/05/1041625305.db2.gz IVHQGOBXJSXDFL-HNNXBMFYSA-N 1 0 335.426 4.391 20 30 EIEDRO Cc1cccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000437094651 1041641529 /nfs/dbraw/zinc/64/15/29/1041641529.db2.gz PWNDNHSZVDGTKT-DZIBYMRMSA-N 1 0 335.451 4.303 20 30 EIEDRO CC1(C)CCC[C@@](O)(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000437109338 1041652440 /nfs/dbraw/zinc/65/24/40/1041652440.db2.gz IBWYWRPIKNRISN-VTLFHKLASA-N 1 0 340.511 4.311 20 30 EIEDRO CC1([N@H+](Cc2ccc3c(c2)OCO3)Cc2ccc(C#N)cn2)CCCC1 ZINC000516660129 1041688063 /nfs/dbraw/zinc/68/80/63/1041688063.db2.gz MBKBHFMYUDSWPJ-UHFFFAOYSA-N 1 0 349.434 4.017 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)Cc1ccc(OC)c(COCC)c1 ZINC000506005599 1041718665 /nfs/dbraw/zinc/71/86/65/1041718665.db2.gz ZZZYPMDJKLOULX-UHFFFAOYSA-N 1 0 331.481 4.481 20 30 EIEDRO Cn1cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000540918671 1041738144 /nfs/dbraw/zinc/73/81/44/1041738144.db2.gz VODACIJTKSONFF-YVWKXTFCSA-N 1 0 334.467 4.017 20 30 EIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cn1 ZINC000541090870 1041807427 /nfs/dbraw/zinc/80/74/27/1041807427.db2.gz XYGAKVYNPMDPGH-MRXNPFEDSA-N 1 0 343.430 4.480 20 30 EIEDRO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC(F)(F)CC1 ZINC000516918629 1041810362 /nfs/dbraw/zinc/81/03/62/1041810362.db2.gz RSHOGHLECFIGSO-UHFFFAOYSA-N 1 0 347.327 4.446 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[C@H]1c1ccccc1 ZINC000437576341 1041844847 /nfs/dbraw/zinc/84/48/47/1041844847.db2.gz CCMOPDNVRPBDJC-APWZRJJASA-N 1 0 340.492 4.098 20 30 EIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)c(OC)c1 ZINC000541282752 1041882786 /nfs/dbraw/zinc/88/27/86/1041882786.db2.gz TUMQPWHMGOVRFR-FQEVSTJZSA-N 1 0 336.435 4.107 20 30 EIEDRO N#CCSCCCN(CCc1ccccc1)c1ccc(O)cc1 ZINC000437888267 1041943468 /nfs/dbraw/zinc/94/34/68/1041943468.db2.gz HGIAQZSHEVZFNI-UHFFFAOYSA-N 1 0 326.465 4.088 20 30 EIEDRO Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000517338121 1041963770 /nfs/dbraw/zinc/96/37/70/1041963770.db2.gz HNRXXHNGKGQPFM-OAQYLSRUSA-N 1 0 342.446 4.424 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCOCc1ccccc1 ZINC000541576668 1042023924 /nfs/dbraw/zinc/02/39/24/1042023924.db2.gz PRWYTNFMXOGJBG-YADHBBJMSA-N 1 0 334.463 4.365 20 30 EIEDRO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000438128283 1042058226 /nfs/dbraw/zinc/05/82/26/1042058226.db2.gz OCSIQYNPYZMSPH-VJBWXMMDSA-N 1 0 346.474 4.442 20 30 EIEDRO C[C@H](Cc1ccccc1Br)[NH2+]Cc1ccc(C#N)s1 ZINC000151189923 1042086121 /nfs/dbraw/zinc/08/61/21/1042086121.db2.gz LKVZFSXENVBKKN-LLVKDONJSA-N 1 0 335.270 4.103 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000464656886 1042109141 /nfs/dbraw/zinc/10/91/41/1042109141.db2.gz QGXLSBCSZHHZDI-ROUUACIJSA-N 1 0 328.500 4.137 20 30 EIEDRO N#CCC1CC[NH+](CC(=O)N(C2CCCCC2)C2CCCCC2)CC1 ZINC000541949202 1042192883 /nfs/dbraw/zinc/19/28/83/1042192883.db2.gz PNBDZNWQRGQHQP-UHFFFAOYSA-N 1 0 345.531 4.106 20 30 EIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](C)Oc2ccccc2)ccc1OC ZINC000506286970 1042262188 /nfs/dbraw/zinc/26/21/88/1042262188.db2.gz XJEPSAUDWKBWMF-QGZVFWFLSA-N 1 0 341.451 4.207 20 30 EIEDRO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(CCC#N)CC1 ZINC000517930849 1042268699 /nfs/dbraw/zinc/26/86/99/1042268699.db2.gz ODBMLBMPSSPBNZ-CYBMUJFWSA-N 1 0 344.846 4.467 20 30 EIEDRO Cc1c(Cl)cnc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1C#N ZINC000542209688 1042347535 /nfs/dbraw/zinc/34/75/35/1042347535.db2.gz IVVUNHAYHWXTCO-SFHVURJKSA-N 1 0 340.858 4.164 20 30 EIEDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1ccc(CC#N)cc1 ZINC000542279149 1042366373 /nfs/dbraw/zinc/36/63/73/1042366373.db2.gz MKOZFVMMXHEUHG-UHFFFAOYSA-N 1 0 341.524 4.158 20 30 EIEDRO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000491357331 1042432379 /nfs/dbraw/zinc/43/23/79/1042432379.db2.gz YFLTYJFEIIQAMW-NRFANRHFSA-N 1 0 341.451 4.068 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)c1 ZINC000518280315 1042451072 /nfs/dbraw/zinc/45/10/72/1042451072.db2.gz DHPIHTFSDOZNQC-MRXNPFEDSA-N 1 0 339.435 4.091 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)c2ccc(C(C)(C)C)cc2)CC1 ZINC000438988054 1042452117 /nfs/dbraw/zinc/45/21/17/1042452117.db2.gz VTXSPBLAVTWKDA-UHFFFAOYSA-N 1 0 342.527 4.028 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000439010339 1042458465 /nfs/dbraw/zinc/45/84/65/1042458465.db2.gz NFSMVIFGPASCBZ-CEWLAPEOSA-N 1 0 340.511 4.393 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000439010342 1042459074 /nfs/dbraw/zinc/45/90/74/1042459074.db2.gz NFSMVIFGPASCBZ-TYPHKJRUSA-N 1 0 340.511 4.393 20 30 EIEDRO C#C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000491535470 1042463938 /nfs/dbraw/zinc/46/39/38/1042463938.db2.gz BZNUOACCBDEFPL-INIZCTEOSA-N 1 0 344.808 4.021 20 30 EIEDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1ccc(C#N)c(F)c1 ZINC000271940103 1042535725 /nfs/dbraw/zinc/53/57/25/1042535725.db2.gz LMBSQKAJGPOOOO-KXBFYZLASA-N 1 0 340.442 4.150 20 30 EIEDRO C=CCc1cc(C[N@H+](C)[C@H](C)c2ccccc2F)cc(OC)c1O ZINC000506552657 1042593382 /nfs/dbraw/zinc/59/33/82/1042593382.db2.gz MHPBSWZNOTZYFE-CQSZACIVSA-N 1 0 329.415 4.461 20 30 EIEDRO N#Cc1ccc(C[N@@H+](Cc2ccc(OCC(F)F)cc2)C2CC2)cc1 ZINC000506557334 1042601403 /nfs/dbraw/zinc/60/14/03/1042601403.db2.gz XJTBCMGKOKAWLA-UHFFFAOYSA-N 1 0 342.389 4.367 20 30 EIEDRO C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000439449158 1042634762 /nfs/dbraw/zinc/63/47/62/1042634762.db2.gz IASLCFPHEGCALU-LIRRHRJNSA-N 1 0 326.827 4.174 20 30 EIEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000518770248 1042685253 /nfs/dbraw/zinc/68/52/53/1042685253.db2.gz FSLDGKGCGCAUFL-MSOLQXFVSA-N 1 0 330.472 4.436 20 30 EIEDRO Clc1ccc(C#CC[N@@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000426437348 1042701192 /nfs/dbraw/zinc/70/11/92/1042701192.db2.gz WPIDVRNLRNEKKS-HXUWFJFHSA-N 1 0 339.866 4.230 20 30 EIEDRO Cc1cc(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)ccc1C#N ZINC000443976957 1042716691 /nfs/dbraw/zinc/71/66/91/1042716691.db2.gz GHJACXRFWQKFHX-UHFFFAOYSA-N 1 0 343.430 4.131 20 30 EIEDRO C[NH+](C)CCCOc1ccc(CNc2ccc(C#N)c(Cl)c2)cc1 ZINC000518898731 1042750115 /nfs/dbraw/zinc/75/01/15/1042750115.db2.gz AXPRCIFZJODYBU-UHFFFAOYSA-N 1 0 343.858 4.154 20 30 EIEDRO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)ccc1C#N ZINC000444004520 1042800257 /nfs/dbraw/zinc/80/02/57/1042800257.db2.gz MLBDZVXJRNNJLW-UHFFFAOYSA-N 1 0 336.769 4.411 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000177472811 1042838700 /nfs/dbraw/zinc/83/87/00/1042838700.db2.gz MMQVQIHIIXMFGU-QYZOEREBSA-N 1 0 349.478 4.104 20 30 EIEDRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000177848082 1042852211 /nfs/dbraw/zinc/85/22/11/1042852211.db2.gz UUKCEJVYXSELCT-HOTGVXAUSA-N 1 0 347.528 4.387 20 30 EIEDRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000177852033 1042852565 /nfs/dbraw/zinc/85/25/65/1042852565.db2.gz BQOBZOZFKZJPKZ-CVEARBPZSA-N 1 0 347.528 4.245 20 30 EIEDRO C[C@H]1CC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C[C@H](C)C1 ZINC000507767552 1042854202 /nfs/dbraw/zinc/85/42/02/1042854202.db2.gz CUDMQYNBTHDQKZ-SSSCAMEASA-N 1 0 327.472 4.058 20 30 EIEDRO CC[C@H]1CCC[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)C1 ZINC000507767874 1042859670 /nfs/dbraw/zinc/85/96/70/1042859670.db2.gz QBAYNJHYLIHFJX-BARLLCKDSA-N 1 0 327.472 4.202 20 30 EIEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000272162976 1042885126 /nfs/dbraw/zinc/88/51/26/1042885126.db2.gz BZNMFDDGGUFPMS-SFHVURJKSA-N 1 0 334.419 4.059 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]CC(C)(C)Cc2ccccc2)cc1 ZINC000237195734 1042903525 /nfs/dbraw/zinc/90/35/25/1042903525.db2.gz CBIUEMXGHPNPLM-UHFFFAOYSA-N 1 0 335.495 4.395 20 30 EIEDRO Cc1ccc(Br)cc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000190699075 1042974480 /nfs/dbraw/zinc/97/44/80/1042974480.db2.gz LNLRYANCIPNNDT-ZDUSSCGKSA-N 1 0 329.241 4.480 20 30 EIEDRO C=CCc1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc(OC)c1O ZINC000136718225 1043006343 /nfs/dbraw/zinc/00/63/43/1043006343.db2.gz HCUGWOZPHWJGBV-SFHVURJKSA-N 1 0 345.483 4.101 20 30 EIEDRO CC[NH+](CC)[C@@H](CNc1cc(C(C)=O)ccc1C#N)c1ccsc1 ZINC000347437454 1043078300 /nfs/dbraw/zinc/07/83/00/1043078300.db2.gz VMDSDLIUXOYOJV-IBGZPJMESA-N 1 0 341.480 4.317 20 30 EIEDRO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1OCCc2ccccc21 ZINC000487403158 1043169945 /nfs/dbraw/zinc/16/99/45/1043169945.db2.gz VNQBYCZIHNUZOI-OAQYLSRUSA-N 1 0 334.463 4.234 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000185878980 1043228708 /nfs/dbraw/zinc/22/87/08/1043228708.db2.gz OCDPIWFCCXTALR-CEWLAPEOSA-N 1 0 340.511 4.102 20 30 EIEDRO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000185877234 1043228729 /nfs/dbraw/zinc/22/87/29/1043228729.db2.gz HOYVDGQTOURWFN-UAFONNFLSA-N 1 0 349.881 4.286 20 30 EIEDRO CCCCO[C@H]1C[C@H]([N@H+](C)CCCC2(C#N)CCOCC2)C1(C)C ZINC000499554318 1043264911 /nfs/dbraw/zinc/26/49/11/1043264911.db2.gz UEQIVLCAENJJFN-ROUUACIJSA-N 1 0 336.520 4.003 20 30 EIEDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1C#N ZINC000311597255 1043310680 /nfs/dbraw/zinc/31/06/80/1043310680.db2.gz FPTDKLWEPMNPSX-LSDHHAIUSA-N 1 0 339.302 4.085 20 30 EIEDRO CCCCC[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000728063523 1043347673 /nfs/dbraw/zinc/34/76/73/1043347673.db2.gz RASHXLVSQAOGHC-LJQANCHMSA-N 1 0 333.439 4.012 20 30 EIEDRO Cc1c([C@@H](C)[NH2+]CCc2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000467434856 1043372068 /nfs/dbraw/zinc/37/20/68/1043372068.db2.gz WNMQDGPXCAAZCU-OAHLLOKOSA-N 1 0 348.425 4.085 20 30 EIEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccccc2)CC2CCC2)c1 ZINC000438840179 1043389199 /nfs/dbraw/zinc/38/91/99/1043389199.db2.gz HQKDCVTWTFTZQB-UHFFFAOYSA-N 1 0 347.462 4.189 20 30 EIEDRO C[C@H]([NH2+][C@@H](C)c1csc2ccccc21)C(=O)Nc1cccc(C#N)c1 ZINC000730018824 1043435055 /nfs/dbraw/zinc/43/50/55/1043435055.db2.gz AZZXZFRDUZUAEY-KBPBESRZSA-N 1 0 349.459 4.451 20 30 EIEDRO COCc1cc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)ccc1OC ZINC000272184370 1043453334 /nfs/dbraw/zinc/45/33/34/1043453334.db2.gz GFOCJVKVSQHFBS-OAHLLOKOSA-N 1 0 336.435 4.053 20 30 EIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc4ccccc4o3)C2)c(F)c1 ZINC000520993614 1043488024 /nfs/dbraw/zinc/48/80/24/1043488024.db2.gz PBELQCWRMXBQGJ-QGZVFWFLSA-N 1 0 349.409 4.202 20 30 EIEDRO CCOc1ccc(O)c(/C=N/Cc2ccccc2C[NH+]2CCCC2)c1 ZINC000730550482 1043553407 /nfs/dbraw/zinc/55/34/07/1043553407.db2.gz VRPWABQMUCGXDZ-PXLXIMEGSA-N 1 0 338.451 4.006 20 30 EIEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(CNC(=O)OC(C)(C)C)nc1C ZINC000494556878 1043591855 /nfs/dbraw/zinc/59/18/55/1043591855.db2.gz ZBXQLHMXXSNHHT-KGLIPLIRSA-N 1 0 333.476 4.030 20 30 EIEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168765314 1043673414 /nfs/dbraw/zinc/67/34/14/1043673414.db2.gz VKSCWMZPUKKCDK-SHPPYHEDSA-N 1 0 331.456 4.024 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000658058624 1043702314 /nfs/dbraw/zinc/70/23/14/1043702314.db2.gz CWBJGFNYQNIUDX-GVDBMIGSSA-N 1 0 330.472 4.137 20 30 EIEDRO C=CCN1CCC([NH2+]Cc2ccc(-c3ccc(F)cc3C)o2)CC1 ZINC000172037470 1043702502 /nfs/dbraw/zinc/70/25/02/1043702502.db2.gz WTCHXXCCWVDDHU-UHFFFAOYSA-N 1 0 328.431 4.134 20 30 EIEDRO COc1ccc(C2(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CCC2)cc1 ZINC000542487100 1043708411 /nfs/dbraw/zinc/70/84/11/1043708411.db2.gz QWRFHNWXXSSIOA-HNNXBMFYSA-N 1 0 338.426 4.478 20 30 EIEDRO COc1ccc(C2(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)CCC2)cc1 ZINC000542487105 1043709168 /nfs/dbraw/zinc/70/91/68/1043709168.db2.gz QWRFHNWXXSSIOA-OAHLLOKOSA-N 1 0 338.426 4.478 20 30 EIEDRO N#CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)cc1 ZINC000731211741 1043715544 /nfs/dbraw/zinc/71/55/44/1043715544.db2.gz YTZSIGKZLLISMJ-IBGZPJMESA-N 1 0 345.446 4.450 20 30 EIEDRO CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cn1 ZINC000442719569 1043821989 /nfs/dbraw/zinc/82/19/89/1043821989.db2.gz QISCUCKPEFRQBE-WBVHZDCISA-N 1 0 337.423 4.054 20 30 EIEDRO CCCOc1c(Cl)cc(C[NH2+]Cc2cccc(C#N)c2)cc1OC ZINC000066972030 1043837874 /nfs/dbraw/zinc/83/78/74/1043837874.db2.gz FWXIWJFZWLSRQV-UHFFFAOYSA-N 1 0 344.842 4.299 20 30 EIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H]1CCCC1(C)C ZINC000191865243 1043854265 /nfs/dbraw/zinc/85/42/65/1043854265.db2.gz KHNIKWSYQXLMTB-YOEHRIQHSA-N 1 0 345.512 4.045 20 30 EIEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000442871888 1043872204 /nfs/dbraw/zinc/87/22/04/1043872204.db2.gz MHKMMWHVYTVIKZ-PKOBYXMFSA-N 1 0 334.891 4.195 20 30 EIEDRO N#CC1CCC(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000442875143 1043874012 /nfs/dbraw/zinc/87/40/12/1043874012.db2.gz OCHRZILKYLFVEQ-FVKWTLKZSA-N 1 0 333.273 4.356 20 30 EIEDRO C=CCN(Cc1cccc(C#N)c1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000521717943 1043921322 /nfs/dbraw/zinc/92/13/22/1043921322.db2.gz AQTKBBCZHSGOAF-UHFFFAOYSA-N 1 0 340.810 4.129 20 30 EIEDRO C[N@H+](Cc1ccc(Br)cc1)Cc1ccc(F)c(C#N)c1 ZINC000229747601 1044044132 /nfs/dbraw/zinc/04/41/32/1044044132.db2.gz WOAKXFPIGJWVKM-UHFFFAOYSA-N 1 0 333.204 4.092 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2Nc2ccc(C)cc2)CC1 ZINC000521923337 1044073542 /nfs/dbraw/zinc/07/35/42/1044073542.db2.gz TZESIIRTZMPOPI-UHFFFAOYSA-N 1 0 349.478 4.119 20 30 EIEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000067976760 1044086665 /nfs/dbraw/zinc/08/66/65/1044086665.db2.gz DQMYGVDNHUEGRO-FQEVSTJZSA-N 1 0 333.435 4.032 20 30 EIEDRO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000521996711 1044144038 /nfs/dbraw/zinc/14/40/38/1044144038.db2.gz ZRQZRCDZKHRAFJ-GUYCJALGSA-N 1 0 346.272 4.323 20 30 EIEDRO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000521996709 1044146292 /nfs/dbraw/zinc/14/62/92/1044146292.db2.gz ZRQZRCDZKHRAFJ-CXAGYDPISA-N 1 0 346.272 4.323 20 30 EIEDRO COc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000173801351 1044157883 /nfs/dbraw/zinc/15/78/83/1044157883.db2.gz OHRYFNQXODSZKZ-VGOFRKELSA-N 1 0 349.478 4.055 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000733321697 1044184809 /nfs/dbraw/zinc/18/48/09/1044184809.db2.gz HXGSKKSXBQRXLP-HSZRJFAPSA-N 1 0 348.490 4.015 20 30 EIEDRO C=CCSCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000226397337 1044187041 /nfs/dbraw/zinc/18/70/41/1044187041.db2.gz IBTQIPQKQKZRGN-UHFFFAOYSA-N 1 0 326.303 4.204 20 30 EIEDRO C#CCCOc1ccc(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)cc1 ZINC000733328598 1044193303 /nfs/dbraw/zinc/19/33/03/1044193303.db2.gz VZVCJSVOWJBCEK-KNQAVFIVSA-N 1 0 348.490 4.014 20 30 EIEDRO CCOc1cc(CCC[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000174112048 1044219365 /nfs/dbraw/zinc/21/93/65/1044219365.db2.gz XRQPCOFNEULKMJ-MRXNPFEDSA-N 1 0 338.451 4.249 20 30 EIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000174265319 1044241643 /nfs/dbraw/zinc/24/16/43/1044241643.db2.gz BIHUBZZMRBBKFP-NSHDSACASA-N 1 0 338.304 4.447 20 30 EIEDRO C=C(C)[C@@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000479407431 1044257598 /nfs/dbraw/zinc/25/75/98/1044257598.db2.gz FMOIMWQFMANASJ-OAHLLOKOSA-N 1 0 345.315 4.131 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168714542 1044264123 /nfs/dbraw/zinc/26/41/23/1044264123.db2.gz CFBFDGFXPPUQOC-SFHVURJKSA-N 1 0 336.866 4.365 20 30 EIEDRO C[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)Oc1cccc(F)c1 ZINC000174581024 1044291660 /nfs/dbraw/zinc/29/16/60/1044291660.db2.gz QUBOXAKCVRTEGC-INIZCTEOSA-N 1 0 342.414 4.065 20 30 EIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1sc(C(C)C)nc1C)C(C)C ZINC000522170390 1044296516 /nfs/dbraw/zinc/29/65/16/1044296516.db2.gz MUTSNXDWVZJIJV-INIZCTEOSA-N 1 0 349.544 4.003 20 30 EIEDRO C=CCOc1ccc(C[N@@H+](CCOCC(F)F)C(C)(C)C)cc1 ZINC001168017268 1044298249 /nfs/dbraw/zinc/29/82/49/1044298249.db2.gz HBDOZXVDKKOEEB-UHFFFAOYSA-N 1 0 327.415 4.134 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccnc3ccccc23)c1 ZINC000733800699 1044317622 /nfs/dbraw/zinc/31/76/22/1044317622.db2.gz DNVFSAQTSVEFRN-GOSISDBHSA-N 1 0 331.419 4.206 20 30 EIEDRO C=CC[C@H](C)[NH2+][C@@H](C(=O)Nc1ccccc1OCC)c1ccccc1 ZINC000116907822 1044318405 /nfs/dbraw/zinc/31/84/05/1044318405.db2.gz NZDCDZITPLNMLQ-OXJNMPFZSA-N 1 0 338.451 4.319 20 30 EIEDRO CC[C@@H]([NH2+]Cc1cccc(O[C@H](C#N)CC)c1)c1cccc(OC)n1 ZINC000925414051 1044343256 /nfs/dbraw/zinc/34/32/56/1044343256.db2.gz KXNCLANTQVPKKE-FUHWJXTLSA-N 1 0 339.439 4.012 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H](CC(C)C)C(=O)OC(C)C)c(O)c1 ZINC000733904625 1044412263 /nfs/dbraw/zinc/41/22/63/1044412263.db2.gz YSTUNERLKGLYIS-PKIWBCANSA-N 1 0 348.487 4.024 20 30 EIEDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929835221 1044417056 /nfs/dbraw/zinc/41/70/56/1044417056.db2.gz QOCJCAAYRAYFGQ-KRWDZBQOSA-N 1 0 334.504 4.294 20 30 EIEDRO C[C@@H](c1cccc(Cl)c1)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757322 1044439560 /nfs/dbraw/zinc/43/95/60/1044439560.db2.gz QSJAHRFBIPPBIL-IFXJQAMLSA-N 1 0 326.827 4.346 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000466426397 1044442900 /nfs/dbraw/zinc/44/29/00/1044442900.db2.gz TVOVUCZRKMHNHW-UHFFFAOYSA-N 1 0 347.374 4.059 20 30 EIEDRO N#Cc1cccc(CC[NH2+]Cc2ccc(-c3ccncc3)cc2F)c1 ZINC000466425008 1044449025 /nfs/dbraw/zinc/44/90/25/1044449025.db2.gz YRFBRYXYRMWCOQ-UHFFFAOYSA-N 1 0 331.394 4.092 20 30 EIEDRO CC(C)(C/N=C/c1cc(Cl)ccc1O)[N@@H+]1CCc2ccccc2C1 ZINC000914558309 1044481011 /nfs/dbraw/zinc/48/10/11/1044481011.db2.gz SOJGWCWDJKZDKP-WSDLNYQXSA-N 1 0 342.870 4.301 20 30 EIEDRO C=CCC1([NH2+]Cc2cc(Cl)c(OC)cc2Cl)CCOCC1 ZINC000657633599 1044483456 /nfs/dbraw/zinc/48/34/56/1044483456.db2.gz RYIQDUIAOHVLOL-UHFFFAOYSA-N 1 0 330.255 4.217 20 30 EIEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000734159926 1044504949 /nfs/dbraw/zinc/50/49/49/1044504949.db2.gz RPKMQLBZKIMTDG-AWEZNQCLSA-N 1 0 329.827 4.211 20 30 EIEDRO C#CC[C@@H]([NH2+]Cc1cnc(Br)c(C)c1)c1ccccc1 ZINC001168724030 1044587121 /nfs/dbraw/zinc/58/71/21/1044587121.db2.gz QSCZFCMGDWIBFG-MRXNPFEDSA-N 1 0 329.241 4.007 20 30 EIEDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000734477761 1044589014 /nfs/dbraw/zinc/58/90/14/1044589014.db2.gz SQBKGIVHHPSZRU-UTKZUKDTSA-N 1 0 342.446 4.257 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(OC)nc3ccccc23)cc1 ZINC000766197572 1044614611 /nfs/dbraw/zinc/61/46/11/1044614611.db2.gz FXRSQGLRRYHPBX-MRXNPFEDSA-N 1 0 346.430 4.106 20 30 EIEDRO C=CCC1([NH2+]Cc2nc(-c3cccc(OC)c3)cs2)CCOCC1 ZINC000895366552 1044676849 /nfs/dbraw/zinc/67/68/49/1044676849.db2.gz LFUXWAJIYPVMOM-UHFFFAOYSA-N 1 0 344.480 4.034 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\Cc1cccc(C[NH+]2CCCC2)c1 ZINC000914702183 1044679742 /nfs/dbraw/zinc/67/97/42/1044679742.db2.gz YUQZYRHJZJDVMH-BKUYFWCQSA-N 1 0 328.843 4.261 20 30 EIEDRO C=C(C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F)c1ccccc1 ZINC000676199911 1044680185 /nfs/dbraw/zinc/68/01/85/1044680185.db2.gz OHXPMCJDCRZOMP-UHFFFAOYSA-N 1 0 325.362 4.158 20 30 EIEDRO C=CCc1cc(C[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)cc(OC)c1OC ZINC000237261142 1044681723 /nfs/dbraw/zinc/68/17/23/1044681723.db2.gz SMWIPIGPOBYSCF-KSSFIOAISA-N 1 0 341.451 4.439 20 30 EIEDRO CC(C)C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000543484531 1044699891 /nfs/dbraw/zinc/69/98/91/1044699891.db2.gz BZFRHSGCASUZFA-AWEZNQCLSA-N 1 0 347.509 4.387 20 30 EIEDRO CC(C)C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccs1 ZINC000543484533 1044701642 /nfs/dbraw/zinc/70/16/42/1044701642.db2.gz BZFRHSGCASUZFA-CQSZACIVSA-N 1 0 347.509 4.387 20 30 EIEDRO C=CC[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000495139932 1044714767 /nfs/dbraw/zinc/71/47/67/1044714767.db2.gz NDOSSRQKOFOATH-NHCUHLMSSA-N 1 0 336.479 4.074 20 30 EIEDRO C=CC[C@H](C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC)c1ccccc1 ZINC000495145515 1044720036 /nfs/dbraw/zinc/72/00/36/1044720036.db2.gz GPFRRXZPUHJMIY-OALUTQOASA-N 1 0 340.467 4.139 20 30 EIEDRO CC(C)[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)c1ccccc1 ZINC000428865693 1044769598 /nfs/dbraw/zinc/76/95/98/1044769598.db2.gz WZUKUEYBAXFYAY-HNNXBMFYSA-N 1 0 341.480 4.420 20 30 EIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000676563926 1044796650 /nfs/dbraw/zinc/79/66/50/1044796650.db2.gz SVDOAUUSOCXZSR-OAHLLOKOSA-N 1 0 335.325 4.019 20 30 EIEDRO C[C@@H](C[N@H+](C)Cc1cc(Cl)ccc1OCC#N)c1ccccc1 ZINC000735309609 1044799354 /nfs/dbraw/zinc/79/93/54/1044799354.db2.gz QCGLNBGPUXQEGV-HNNXBMFYSA-N 1 0 328.843 4.478 20 30 EIEDRO C/C(=C/c1ccccc1)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000092854172 1044805369 /nfs/dbraw/zinc/80/53/69/1044805369.db2.gz XGDRFKZLMQPXMW-LGMDPLHJSA-N 1 0 347.462 4.336 20 30 EIEDRO C=C(C)C[C@@H](C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000466641456 1044868225 /nfs/dbraw/zinc/86/82/25/1044868225.db2.gz PNBQSKHOMOPYSA-QGZVFWFLSA-N 1 0 330.472 4.010 20 30 EIEDRO C=C(Cl)C[NH2+]Cc1ccc(Oc2cc(OC)cc(OC)c2)cc1 ZINC000735925495 1044878457 /nfs/dbraw/zinc/87/84/57/1044878457.db2.gz JGGGPZWBJHZTHS-UHFFFAOYSA-N 1 0 333.815 4.338 20 30 EIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800113 1044893987 /nfs/dbraw/zinc/89/39/87/1044893987.db2.gz ATYUHAFVIOMWJM-OAQYLSRUSA-N 1 0 340.467 4.206 20 30 EIEDRO CC(C)CCC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000124810076 1044894447 /nfs/dbraw/zinc/89/44/47/1044894447.db2.gz FVNSABMYYJNHIT-UHFFFAOYSA-N 1 0 338.455 4.256 20 30 EIEDRO C=C(C)C[C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000466654049 1044896964 /nfs/dbraw/zinc/89/69/64/1044896964.db2.gz FUVDFUIHLHHPIW-KRWDZBQOSA-N 1 0 330.472 4.092 20 30 EIEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000543603897 1044902678 /nfs/dbraw/zinc/90/26/78/1044902678.db2.gz XYJYHSJKJMFXBD-CABCVRRESA-N 1 0 337.305 4.220 20 30 EIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(F)F)cc1 ZINC000922776502 1044937416 /nfs/dbraw/zinc/93/74/16/1044937416.db2.gz PVKGICZKFFFZLT-NIKGAXFTSA-N 1 0 342.389 4.116 20 30 EIEDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCOc2ccc(C#N)cc2)C2CC2)o1 ZINC000509058011 1045028155 /nfs/dbraw/zinc/02/81/55/1045028155.db2.gz RFLVHDAIXPNSFC-FOIQADDNSA-N 1 0 336.435 4.318 20 30 EIEDRO N#Cc1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1C(F)(F)F ZINC000392450189 1045045838 /nfs/dbraw/zinc/04/58/38/1045045838.db2.gz DCSMETLZULQWLD-UHFFFAOYSA-N 1 0 337.389 4.032 20 30 EIEDRO CC1(C)C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C(C)(C)O1 ZINC000495420704 1045091423 /nfs/dbraw/zinc/09/14/23/1045091423.db2.gz KLPJNDGMUQISFJ-IDYZSHNDSA-N 1 0 326.484 4.326 20 30 EIEDRO CCOc1ccc(O)c(/C=N\C[C@H](c2ccsc2)[NH+](CC)CC)c1 ZINC000915114124 1045113871 /nfs/dbraw/zinc/11/38/71/1045113871.db2.gz DUCIKURORFXZPP-BDBXIWDTSA-N 1 0 346.496 4.354 20 30 EIEDRO CCOc1ccc(CCC2CC[NH+](CCCSCC#N)CC2)cc1 ZINC000466731945 1045138877 /nfs/dbraw/zinc/13/88/77/1045138877.db2.gz VSKJWQOJVOKSDA-UHFFFAOYSA-N 1 0 346.540 4.377 20 30 EIEDRO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000074230977 1045160529 /nfs/dbraw/zinc/16/05/29/1045160529.db2.gz LTUGOGVJGYKAHB-UHFFFAOYSA-N 1 0 332.403 4.041 20 30 EIEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc(-c2ccccc2)no1 ZINC000131139347 1045163231 /nfs/dbraw/zinc/16/32/31/1045163231.db2.gz KTEUAELONJRFCS-GJZGRUSLSA-N 1 0 332.407 4.063 20 30 EIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCc1ccccn1 ZINC000131179000 1045170469 /nfs/dbraw/zinc/17/04/69/1045170469.db2.gz YLKDDHGPQLTISI-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccncc1 ZINC000766017716 1045180758 /nfs/dbraw/zinc/18/07/58/1045180758.db2.gz CFTRGMNOAKVBQK-KXBFYZLASA-N 1 0 337.423 4.006 20 30 EIEDRO C=CC[C@H]([NH2+][C@@H](C)c1ccc(OCCOC)cc1)c1ccncc1 ZINC000766018211 1045192895 /nfs/dbraw/zinc/19/28/95/1045192895.db2.gz GPBSMTFYHYYKQE-JXFKEZNVSA-N 1 0 326.440 4.075 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccccc1Cl)[C@@H]1OCCc2sccc21 ZINC000429122727 1045256513 /nfs/dbraw/zinc/25/65/13/1045256513.db2.gz QVELOFWICFMOOT-UGSOOPFHSA-N 1 0 331.868 4.045 20 30 EIEDRO CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C#N)CCC1 ZINC001273379799 1045263401 /nfs/dbraw/zinc/26/34/01/1045263401.db2.gz YAQDBLNSYYZKPE-QBUWPKIASA-N 1 0 345.531 4.008 20 30 EIEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000611248623 1045266007 /nfs/dbraw/zinc/26/60/07/1045266007.db2.gz NKZYJBLPKCYZGM-KGLIPLIRSA-N 1 0 339.395 4.277 20 30 EIEDRO N#CCCCOc1cccc(C[N@@H+]2CCCc3sccc3C2)c1 ZINC000611271110 1045270697 /nfs/dbraw/zinc/27/06/97/1045270697.db2.gz DMCJTXPSHNJUKA-UHFFFAOYSA-N 1 0 326.465 4.379 20 30 EIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000611276542 1045272884 /nfs/dbraw/zinc/27/28/84/1045272884.db2.gz JCSVSKRXDQAIJS-TYPHKJRUSA-N 1 0 332.447 4.324 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2sccc2C#N)cc1 ZINC000741172613 1045280740 /nfs/dbraw/zinc/28/07/40/1045280740.db2.gz BSKDPPMAXZFLLC-UHFFFAOYSA-N 1 0 327.453 4.104 20 30 EIEDRO Cc1cccc2c1ncc(C#N)c2N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000611370408 1045289767 /nfs/dbraw/zinc/28/97/67/1045289767.db2.gz NENDGIVATWDXGI-ZIFCJYIRSA-N 1 0 348.494 4.257 20 30 EIEDRO CC(C)([NH2+]Cc1cccc(C#N)c1F)c1ccc(Br)cc1 ZINC000611372260 1045290238 /nfs/dbraw/zinc/29/02/38/1045290238.db2.gz LUDFBALXXFXQQW-UHFFFAOYSA-N 1 0 347.231 4.485 20 30 EIEDRO C[C@H]([NH2+]CCOc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000611376402 1045290523 /nfs/dbraw/zinc/29/05/23/1045290523.db2.gz ZXXIWICZOODTOK-ZDUSSCGKSA-N 1 0 334.341 4.307 20 30 EIEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]Cc3ccnc(C#N)c3)cc2)cs1 ZINC000611380200 1045292229 /nfs/dbraw/zinc/29/22/29/1045292229.db2.gz AIBQMWSBXDTVKA-CYBMUJFWSA-N 1 0 334.448 4.236 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000611387158 1045293918 /nfs/dbraw/zinc/29/39/18/1045293918.db2.gz FTYNJWXRKXTDCG-QGZVFWFLSA-N 1 0 349.478 4.036 20 30 EIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 ZINC000611389193 1045295575 /nfs/dbraw/zinc/29/55/75/1045295575.db2.gz YJSLFWGKHUZDHC-LLVKDONJSA-N 1 0 348.233 4.154 20 30 EIEDRO C[C@@H]([NH2+]CCc1cccc(OC(F)(F)F)c1)c1cccc(C#N)c1 ZINC000611386656 1045295839 /nfs/dbraw/zinc/29/58/39/1045295839.db2.gz QRPSOGJSZNXPAT-CYBMUJFWSA-N 1 0 334.341 4.350 20 30 EIEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccc2ccccc2n1 ZINC000611392576 1045297766 /nfs/dbraw/zinc/29/77/66/1045297766.db2.gz WMONQZFTINWMNR-QFIPXVFZSA-N 1 0 327.431 4.316 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000611392621 1045299145 /nfs/dbraw/zinc/29/91/45/1045299145.db2.gz ZDNMRSLLJRRPSZ-PMACEKPBSA-N 1 0 337.467 4.201 20 30 EIEDRO Cn1cc(-c2ccccc2C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cn1 ZINC000611394996 1045300220 /nfs/dbraw/zinc/30/02/20/1045300220.db2.gz BVUMOFYQHQSWGD-QFIPXVFZSA-N 1 0 342.446 4.126 20 30 EIEDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611395236 1045301142 /nfs/dbraw/zinc/30/11/42/1045301142.db2.gz XASUCECETGPREN-IFZYUDKTSA-N 1 0 338.426 4.441 20 30 EIEDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccccc1Cl ZINC000611465925 1045312434 /nfs/dbraw/zinc/31/24/34/1045312434.db2.gz MRWCGGCTVMQXBL-XIKOKIGWSA-N 1 0 332.806 4.389 20 30 EIEDRO CCN(CC)[C@@H](C[NH2+]Cc1cccc(C#N)c1)c1ccccc1Cl ZINC000611518359 1045320718 /nfs/dbraw/zinc/32/07/18/1045320718.db2.gz ZBSOZIFSDXOCPF-FQEVSTJZSA-N 1 0 341.886 4.384 20 30 EIEDRO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1F ZINC001168496201 1045415735 /nfs/dbraw/zinc/41/57/35/1045415735.db2.gz HBYZCAAVOOACEO-MOPGFXCFSA-N 1 0 344.405 4.247 20 30 EIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000272341375 1045417506 /nfs/dbraw/zinc/41/75/06/1045417506.db2.gz ZQEOSIZGICRUQG-INIZCTEOSA-N 1 0 345.446 4.025 20 30 EIEDRO CSC1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000193661228 1045424880 /nfs/dbraw/zinc/42/48/80/1045424880.db2.gz KBTITTOONATLTC-UHFFFAOYSA-N 1 0 338.476 4.122 20 30 EIEDRO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2)c(OCCC)c1 ZINC000915681765 1045447192 /nfs/dbraw/zinc/44/71/92/1045447192.db2.gz KJCMQQCUWUZLBG-UHFFFAOYSA-N 1 0 338.451 4.426 20 30 EIEDRO CC[N@H+](Cc1cccc(Br)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000272405123 1045459284 /nfs/dbraw/zinc/45/92/84/1045459284.db2.gz KBGXGGNDANPPNU-ZDUSSCGKSA-N 1 0 344.256 4.299 20 30 EIEDRO C[C@H](Cc1ccc(Br)cc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000790674267 1045553462 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EIEDRO Cc1cc(Br)cc(CN2CCc3ccc(C#N)cc3C2)c1 ZINC001144214737 1048501023 /nfs/dbraw/zinc/50/10/23/1048501023.db2.gz NWEHLBKYNJSCEV-UHFFFAOYSA-N 1 0 341.252 4.188 20 30 EIEDRO CCOc1ccc(/C=N/[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(O)c1 ZINC000920174421 1048571546 /nfs/dbraw/zinc/57/15/46/1048571546.db2.gz MAZBELMETRWCPA-INJKSQGZSA-N 1 0 338.451 4.045 20 30 EIEDRO CCOc1ccc(O)c(/C=N/[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000920175085 1048575295 /nfs/dbraw/zinc/57/52/95/1048575295.db2.gz TYSXVMBWAFKGTA-ISXIEHEGSA-N 1 0 338.451 4.045 20 30 EIEDRO N#Cc1cc2c(nc1NCc1ccccc1C[NH+]1CCCC1)CCCC2 ZINC000217639136 1048588529 /nfs/dbraw/zinc/58/85/29/1048588529.db2.gz NGEVLRQDXGDTEK-UHFFFAOYSA-N 1 0 346.478 4.040 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001170593678 1048593282 /nfs/dbraw/zinc/59/32/82/1048593282.db2.gz NJHFHPLNJIYXIA-IFXJQAMLSA-N 1 0 326.827 4.426 20 30 EIEDRO C=CCc1c(Cl)ncnc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171164578 1048605202 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[NH2+]=C(Nc1ccc(OCC2CCC2)nc1)c1ccc2cc(O)ccc2c1 ZINC001171181841 1048663315 /nfs/dbraw/zinc/66/33/15/1048663315.db2.gz DJKLKSWYLXWORE-UHFFFAOYSA-N 1 0 347.418 4.156 20 30 EIEDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)Cc3cccc(C#N)c3)cc2)n1 ZINC001171180576 1048667697 /nfs/dbraw/zinc/66/76/97/1048667697.db2.gz BJAYPTZMZKZSFZ-MRXNPFEDSA-N 1 0 344.462 4.082 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccsc1Br ZINC001171183690 1048673726 /nfs/dbraw/zinc/67/37/26/1048673726.db2.gz ISPGOKDYLVMFKB-NSHDSACASA-N 1 0 335.270 4.103 20 30 EIEDRO COc1ccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c2[nH]ccc21 ZINC001171183775 1048674263 /nfs/dbraw/zinc/67/42/63/1048674263.db2.gz AQAWKWLPSNCFPL-UHFFFAOYSA-N 1 0 331.375 4.072 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCOc1cccc2ccccc21 ZINC001171184518 1048676417 /nfs/dbraw/zinc/67/64/17/1048676417.db2.gz NBEGMCKQNDBYLB-KRWDZBQOSA-N 1 0 330.431 4.311 20 30 EIEDRO Cc1cn(C)c2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc12 ZINC001171185432 1048681172 /nfs/dbraw/zinc/68/11/72/1048681172.db2.gz JXBYUDDDTGEWDA-UHFFFAOYSA-N 1 0 329.403 4.383 20 30 EIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](c1ccccc1)C1CCOCC1)CC2 ZINC000810217727 1048685819 /nfs/dbraw/zinc/68/58/19/1048685819.db2.gz AWYDWBVOFFREFH-FGZHOGPDSA-N 1 0 332.447 4.303 20 30 EIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000810217724 1048686105 /nfs/dbraw/zinc/68/61/05/1048686105.db2.gz AVVRCVVWQRQRHB-ROUUACIJSA-N 1 0 347.245 4.176 20 30 EIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000810217769 1048686316 /nfs/dbraw/zinc/68/63/16/1048686316.db2.gz KNQVACDQNGHXMM-ZDUSSCGKSA-N 1 0 347.256 4.260 20 30 EIEDRO Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCc4ccc(C#N)cc43)C2)cc1 ZINC000810219338 1048687636 /nfs/dbraw/zinc/68/76/36/1048687636.db2.gz IDGZCNCZOIHOPX-DENIHFKCSA-N 1 0 331.463 4.113 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000810225702 1048694359 /nfs/dbraw/zinc/69/43/59/1048694359.db2.gz KKOWDROQCCUNQI-GHTZIAJQSA-N 1 0 331.419 4.016 20 30 EIEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)OCc3ccccc3)cc2)C1 ZINC000810249997 1048727404 /nfs/dbraw/zinc/72/74/04/1048727404.db2.gz KDEHIBRTUCNAFC-PZJWPPBQSA-N 1 0 348.446 4.216 20 30 EIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001135483773 1048744900 /nfs/dbraw/zinc/74/49/00/1048744900.db2.gz LVGYTEBJEVBDOV-HZSPNIEDSA-N 1 0 340.920 4.177 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](c1cccnc1Cl)C1CC1 ZINC001171202205 1048759140 /nfs/dbraw/zinc/75/91/40/1048759140.db2.gz XXFQILWKLOCXKF-UGSOOPFHSA-N 1 0 325.843 4.279 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)cc1C#N ZINC000845946179 1048771111 /nfs/dbraw/zinc/77/11/11/1048771111.db2.gz QMXSTKXTPKNBAE-HNNXBMFYSA-N 1 0 330.790 4.136 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC[C@]2(C)C[C@@]2(F)Cl)cc1OC ZINC000846034147 1048801011 /nfs/dbraw/zinc/80/10/11/1048801011.db2.gz HOYCJNSTXWJYKW-SJORKVTESA-N 1 0 327.827 4.054 20 30 EIEDRO CCOc1cccc(/C=N/C[C@H](c2ccccc2)[NH+](CC)CC)c1O ZINC000920943803 1048817459 /nfs/dbraw/zinc/81/74/59/1048817459.db2.gz JEAGFHZTUJIBAG-QTCOBDOFSA-N 1 0 340.467 4.293 20 30 EIEDRO CCOc1cccc(/C=N\C[C@@H](c2ccccc2)[NH+](CC)CC)c1O ZINC000920943804 1048817558 /nfs/dbraw/zinc/81/75/58/1048817558.db2.gz JEAGFHZTUJIBAG-UQRWVXEISA-N 1 0 340.467 4.293 20 30 EIEDRO Oc1ccc(Cl)cc1/C=N\C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000920943677 1048818124 /nfs/dbraw/zinc/81/81/24/1048818124.db2.gz CCVCBHADIFCOOI-VUQQOUJSSA-N 1 0 334.872 4.363 20 30 EIEDRO C=C(C[NH+](C)C)C(=O)N[C@H](c1ccccc1C)C1CCC(C)CC1 ZINC001144728118 1048827043 /nfs/dbraw/zinc/82/70/43/1048827043.db2.gz KFZHFVVFFBWOQG-UPQHMETBSA-N 1 0 328.500 4.096 20 30 EIEDRO Cc1cccc(OC2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171222961 1048857862 /nfs/dbraw/zinc/85/78/62/1048857862.db2.gz KIOFEAWPZCGWKR-GOSISDBHSA-N 1 0 334.463 4.341 20 30 EIEDRO C[C@H](Cc1cccc(C#N)c1)n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001171224019 1048861270 /nfs/dbraw/zinc/86/12/70/1048861270.db2.gz OOJUHTXDLHUQHD-CQSZACIVSA-N 1 0 333.410 4.101 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)N1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC001171231002 1048870209 /nfs/dbraw/zinc/87/02/09/1048870209.db2.gz ZPVBQANRMAZJMF-MGPUTAFESA-N 1 0 340.854 4.216 20 30 EIEDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171231954 1048871503 /nfs/dbraw/zinc/87/15/03/1048871503.db2.gz OQQNDIZUNJIAED-IERDGZPVSA-N 1 0 348.446 4.113 20 30 EIEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001171234104 1048876660 /nfs/dbraw/zinc/87/66/60/1048876660.db2.gz LCMDJJDHMKOGKA-KRWDZBQOSA-N 1 0 347.437 4.186 20 30 EIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC001170622890 1048921384 /nfs/dbraw/zinc/92/13/84/1048921384.db2.gz DOVFBWNXAOLGGY-OAHLLOKOSA-N 1 0 336.435 4.174 20 30 EIEDRO C=CCCC[N@@H+](C)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000076737429 1048933478 /nfs/dbraw/zinc/93/34/78/1048933478.db2.gz YCVJKDDQBAZNNM-UHFFFAOYSA-N 1 0 335.662 4.483 20 30 EIEDRO C[C@@H](CCc1ccc(Cl)s1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772958754 1048956828 /nfs/dbraw/zinc/95/68/28/1048956828.db2.gz HLGIZKTZQPKWJE-ZDUSSCGKSA-N 1 0 334.872 4.415 20 30 EIEDRO SCCCCCC[NH2+][C@H]1CCc2ccc(Br)cc2C1 ZINC001170867539 1048961496 /nfs/dbraw/zinc/96/14/96/1048961496.db2.gz IQQASHIUMGRDHO-INIZCTEOSA-N 1 0 342.346 4.386 20 30 EIEDRO C[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1ccc(OCC#N)cc1 ZINC000772959446 1048995413 /nfs/dbraw/zinc/99/54/13/1048995413.db2.gz NEHKWSADCQDYCP-YVEFUNNKSA-N 1 0 328.799 4.027 20 30 EIEDRO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817577820 1049009827 /nfs/dbraw/zinc/00/98/27/1049009827.db2.gz DOUAQKBEDPPTFI-CYBMUJFWSA-N 1 0 332.806 4.102 20 30 EIEDRO CC(C)c1cccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1 ZINC001171274780 1049010391 /nfs/dbraw/zinc/01/03/91/1049010391.db2.gz HFINXWVBOYSDET-UHFFFAOYSA-N 1 0 334.467 4.175 20 30 EIEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccncc2Cl)c1 ZINC000817581030 1049011751 /nfs/dbraw/zinc/01/17/51/1049011751.db2.gz MQOYFAQACVISID-HIFRSBDPSA-N 1 0 329.831 4.267 20 30 EIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2OCC#N)C12CCC2 ZINC000763453519 1049081943 /nfs/dbraw/zinc/08/19/43/1049081943.db2.gz NYVGADMSUWAZKL-ROUUACIJSA-N 1 0 348.874 4.022 20 30 EIEDRO C#C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000811517019 1049101209 /nfs/dbraw/zinc/10/12/09/1049101209.db2.gz FSPUSSLPVATPML-NRFANRHFSA-N 1 0 338.882 4.269 20 30 EIEDRO CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000135315965 1049114249 /nfs/dbraw/zinc/11/42/49/1049114249.db2.gz OPFUKKKDZQMPBO-MRXNPFEDSA-N 1 0 345.512 4.141 20 30 EIEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1O ZINC000818348073 1049127621 /nfs/dbraw/zinc/12/76/21/1049127621.db2.gz ZHVCYOZIWLSGKG-PEYYIBSZSA-N 1 0 329.362 4.043 20 30 EIEDRO CC[C@H]([NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(C#N)cc1 ZINC000818342313 1049134846 /nfs/dbraw/zinc/13/48/46/1049134846.db2.gz OWNNKKKMQNGKKO-GCJKJVERSA-N 1 0 349.478 4.134 20 30 EIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC000609544839 1049147616 /nfs/dbraw/zinc/14/76/16/1049147616.db2.gz JBOJTYBJAKAWHC-UHFFFAOYSA-N 1 0 342.389 4.316 20 30 EIEDRO CC(C)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000609676989 1049263977 /nfs/dbraw/zinc/26/39/77/1049263977.db2.gz JSVMGSDFYBIIGM-QAPCUYQASA-N 1 0 329.488 4.326 20 30 EIEDRO N#CCC[C@@H]([NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000819184208 1049274528 /nfs/dbraw/zinc/27/45/28/1049274528.db2.gz WVHQRPYMZHFRPL-QZTJIDSGSA-N 1 0 348.368 4.373 20 30 EIEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819194922 1049278772 /nfs/dbraw/zinc/27/87/72/1049278772.db2.gz VAFYAUNQHSXMQU-XIKOKIGWSA-N 1 0 349.261 4.119 20 30 EIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1 ZINC000609736728 1049304585 /nfs/dbraw/zinc/30/45/85/1049304585.db2.gz NIHZUTWBUXFBDQ-LAUBAEHRSA-N 1 0 341.499 4.121 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000819362950 1049310477 /nfs/dbraw/zinc/31/04/77/1049310477.db2.gz ZNEGYKJEDNFNOT-YZGWKJHDSA-N 1 0 340.854 4.171 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)c1cccc([C@@H](C)C#N)c1 ZINC001148621564 1049346600 /nfs/dbraw/zinc/34/66/00/1049346600.db2.gz CUGFXHQEQSGHQM-HNAYVOBHSA-N 1 0 333.435 4.063 20 30 EIEDRO C=C[C@H](CC)CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001136252075 1049356345 /nfs/dbraw/zinc/35/63/45/1049356345.db2.gz AAKUTWMAAASHTI-GBESFXJTSA-N 1 0 342.527 4.383 20 30 EIEDRO C=CC(C)(C)CCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001133176476 1049376433 /nfs/dbraw/zinc/37/64/33/1049376433.db2.gz ABHRJLFSAPDJAZ-UHFFFAOYSA-N 1 0 342.527 4.397 20 30 EIEDRO N#Cc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000195632254 1049377105 /nfs/dbraw/zinc/37/71/05/1049377105.db2.gz AFWVEOHXHMPZCZ-UHFFFAOYSA-N 1 0 339.870 4.331 20 30 EIEDRO C[C@H]1C[NH+](Cc2cccc(Nc3cccc(F)c3C#N)c2)C[C@H](C)O1 ZINC000609964259 1049425127 /nfs/dbraw/zinc/42/51/27/1049425127.db2.gz BSCJOTVAXRESKD-GJZGRUSLSA-N 1 0 339.414 4.050 20 30 EIEDRO COc1cccc(O)c1/C=N/Cc1ccccc1C[NH+]1CCCCC1 ZINC000812404621 1049454275 /nfs/dbraw/zinc/45/42/75/1049454275.db2.gz HQWHNYZYROYDEL-PXLXIMEGSA-N 1 0 338.451 4.006 20 30 EIEDRO C[C@H]1CCC[N@H+](CCNc2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000195667347 1049488700 /nfs/dbraw/zinc/48/87/00/1049488700.db2.gz NLUPEKUKSIBZPI-LBPRGKRZSA-N 1 0 346.837 4.043 20 30 EIEDRO C#CCSCC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000773010531 1049523544 /nfs/dbraw/zinc/52/35/44/1049523544.db2.gz MINNJUPFZPGQCK-ZDUSSCGKSA-N 1 0 346.521 4.144 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2COc3c2cccc3Cl)cc1 ZINC000773039990 1049546996 /nfs/dbraw/zinc/54/69/96/1049546996.db2.gz HRCMPRFRALXOMT-ACJLOTCBSA-N 1 0 327.811 4.136 20 30 EIEDRO C=C(C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)c1ccccc1 ZINC000812719305 1049548334 /nfs/dbraw/zinc/54/83/34/1049548334.db2.gz XGONNHCOVAKPOE-VQIMIIECSA-N 1 0 344.499 4.325 20 30 EIEDRO CC[N@H+](CCOc1ccc(C#N)cc1OC)Cc1ccc(Cl)cc1 ZINC000610132563 1049556277 /nfs/dbraw/zinc/55/62/77/1049556277.db2.gz BHSSUZBKHBKUAU-UHFFFAOYSA-N 1 0 344.842 4.121 20 30 EIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2C)C(C)(C)C)CC1 ZINC000080121087 1049558952 /nfs/dbraw/zinc/55/89/52/1049558952.db2.gz DTBAMXJLGIXFMA-LJQANCHMSA-N 1 0 343.515 4.032 20 30 EIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C#N ZINC000773076324 1049568739 /nfs/dbraw/zinc/56/87/39/1049568739.db2.gz LVCQIYWEBYLNKX-KRWDZBQOSA-N 1 0 349.478 4.408 20 30 EIEDRO COc1ccc(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)cc1C#N ZINC000773082925 1049569910 /nfs/dbraw/zinc/56/99/10/1049569910.db2.gz IFPNDNJVNZAVTM-FQEVSTJZSA-N 1 0 348.446 4.059 20 30 EIEDRO C[C@H](C[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1)NC(=O)OC(C)(C)C ZINC000773086153 1049573869 /nfs/dbraw/zinc/57/38/69/1049573869.db2.gz ZJHZQYLVWSMXEJ-LZLYRXPVSA-N 1 0 345.487 4.313 20 30 EIEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCc2ccncc2C)cc1 ZINC000773107539 1049586783 /nfs/dbraw/zinc/58/67/83/1049586783.db2.gz XFRSAWDBDLVUPA-INIZCTEOSA-N 1 0 330.859 4.415 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000773116017 1049587659 /nfs/dbraw/zinc/58/76/59/1049587659.db2.gz PCZQHNTVYKCVSY-CRAIPNDOSA-N 1 0 338.407 4.409 20 30 EIEDRO C#CC[C@@H]([NH2+][C@H](C)c1sc(CCOC)nc1C)c1ccccc1 ZINC000773116163 1049588169 /nfs/dbraw/zinc/58/81/69/1049588169.db2.gz QAFKXJGPAYVGPF-RHSMWYFYSA-N 1 0 328.481 4.056 20 30 EIEDRO CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853864 1049616399 /nfs/dbraw/zinc/61/63/99/1049616399.db2.gz TWHLNGMQILVXHC-LIRRHRJNSA-N 1 0 328.843 4.156 20 30 EIEDRO N#Cc1ccc(CNCc2csc(-c3ccsc3)n2)c(F)c1 ZINC000237712250 1049717935 /nfs/dbraw/zinc/71/79/35/1049717935.db2.gz IOZWQWSOXNREST-UHFFFAOYSA-N 1 0 329.425 4.172 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1)c1cccc(C#N)c1 ZINC001171505785 1049738837 /nfs/dbraw/zinc/73/88/37/1049738837.db2.gz MBIDREFEMKHGTQ-XHDPSFHLSA-N 1 0 330.353 4.184 20 30 EIEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171592092 1049752720 /nfs/dbraw/zinc/75/27/20/1049752720.db2.gz YYGUUWKKIOCHEZ-GQIGUUNPSA-N 1 0 336.520 4.192 20 30 EIEDRO CCCC1(C[NH2+][C@H](CC)CC#N)CCN(C(=O)OC(C)(C)C)CC1 ZINC000813338234 1049754293 /nfs/dbraw/zinc/75/42/93/1049754293.db2.gz YCRVJOFSLVHGQT-MRXNPFEDSA-N 1 0 337.508 4.086 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C#N)CC2)C[C@H]1C(C)(C)C ZINC001171599626 1049763274 /nfs/dbraw/zinc/76/32/74/1049763274.db2.gz CQOXFZSXCXEGMN-IRXDYDNUSA-N 1 0 349.519 4.036 20 30 EIEDRO CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCC[C@@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC001171613685 1049764993 /nfs/dbraw/zinc/76/49/93/1049764993.db2.gz OPDGJSZPDILMDL-YESZJQIVSA-N 1 0 349.519 4.036 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000237820856 1049776201 /nfs/dbraw/zinc/77/62/01/1049776201.db2.gz KTMPOEOWFDFWCJ-UHFFFAOYSA-N 1 0 349.478 4.128 20 30 EIEDRO C=C[C@H](CC(=O)N(CC[NH+](C)C)C1CCCCC1)c1ccccc1 ZINC001136627195 1049799563 /nfs/dbraw/zinc/79/95/63/1049799563.db2.gz ZYRACNIIMILISQ-GOSISDBHSA-N 1 0 328.500 4.069 20 30 EIEDRO N#Cc1cccc(C2CC[NH+]([C@@H]3CCc4cccc(F)c4C3)CC2)c1 ZINC001171001392 1049813045 /nfs/dbraw/zinc/81/30/45/1049813045.db2.gz ORQUNVNOJBQVBT-HXUWFJFHSA-N 1 0 334.438 4.434 20 30 EIEDRO C#CC[N@@H+](CCCCc1ccc(Cl)c(Cl)c1)C1CSC1 ZINC001171867857 1049815560 /nfs/dbraw/zinc/81/55/60/1049815560.db2.gz PURIVPLRZKXXGH-UHFFFAOYSA-N 1 0 328.308 4.367 20 30 EIEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001171921053 1049816253 /nfs/dbraw/zinc/81/62/53/1049816253.db2.gz QWDVHNZZWYEUPF-RRQGHBQHSA-N 1 0 327.390 4.463 20 30 EIEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001171921051 1049816377 /nfs/dbraw/zinc/81/63/77/1049816377.db2.gz QWDVHNZZWYEUPF-IAOVAPTHSA-N 1 0 327.390 4.463 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC001171920946 1049816480 /nfs/dbraw/zinc/81/64/80/1049816480.db2.gz PFMADIDUCDDEBE-PBHICJAKSA-N 1 0 344.890 4.360 20 30 EIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCOc1cccc(C#N)c1 ZINC001171960727 1049824379 /nfs/dbraw/zinc/82/43/79/1049824379.db2.gz HBPGINHVKQUECM-CQSZACIVSA-N 1 0 348.368 4.177 20 30 EIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001171961079 1049824586 /nfs/dbraw/zinc/82/45/86/1049824586.db2.gz PMOQFEJBTRILEF-LBPRGKRZSA-N 1 0 336.332 4.437 20 30 EIEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC000813877864 1049830213 /nfs/dbraw/zinc/83/02/13/1049830213.db2.gz GDOJGJALGSABHK-GVDBMIGSSA-N 1 0 336.520 4.499 20 30 EIEDRO CC(C)(C)C#CC[NH2+]C1CCN(c2ccc(Br)cc2)CC1 ZINC001171991593 1049833134 /nfs/dbraw/zinc/83/31/34/1049833134.db2.gz DYJPIHQLOVAHJM-UHFFFAOYSA-N 1 0 349.316 4.057 20 30 EIEDRO CC(C)C[C@@](C)(C#N)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978878 1049838842 /nfs/dbraw/zinc/83/88/42/1049838842.db2.gz MNNCVAHNOBVRKJ-FPOVZHCZSA-N 1 0 327.516 4.348 20 30 EIEDRO CC(C)[C@@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172063583 1049850070 /nfs/dbraw/zinc/85/00/70/1049850070.db2.gz BYQNDZYEDWEUIZ-PLACYPQZSA-N 1 0 325.500 4.100 20 30 EIEDRO CC[NH+](CC)CCOc1ccc(NC2CCC(C)(C#N)CC2)cc1 ZINC000823523985 1049854080 /nfs/dbraw/zinc/85/40/80/1049854080.db2.gz OLKPRZUWUDMPSN-UHFFFAOYSA-N 1 0 329.488 4.292 20 30 EIEDRO C[C@@H](C#N)Oc1ccccc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000180202576 1049861303 /nfs/dbraw/zinc/86/13/03/1049861303.db2.gz HUYAGBIXLVAWSS-PKOBYXMFSA-N 1 0 335.451 4.054 20 30 EIEDRO N#CC1(c2ccccc2)CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC001204085096 1049863862 /nfs/dbraw/zinc/86/38/62/1049863862.db2.gz FNSLBJIZOWHAFL-UHFFFAOYSA-N 1 0 327.431 4.292 20 30 EIEDRO N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CCc2c(Cl)cccc2C1 ZINC001171022987 1049867131 /nfs/dbraw/zinc/86/71/31/1049867131.db2.gz RGVWLONVABWVCE-KRWDZBQOSA-N 1 0 349.865 4.398 20 30 EIEDRO C=CCC[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1ccccc1 ZINC000180259547 1049872624 /nfs/dbraw/zinc/87/26/24/1049872624.db2.gz PRTUCPKIPCBXGQ-IBGZPJMESA-N 1 0 335.403 4.296 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC001172301519 1049873028 /nfs/dbraw/zinc/87/30/28/1049873028.db2.gz PSYPGGRWECMMSJ-VGSWGCGISA-N 1 0 334.463 4.247 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001172313232 1049875301 /nfs/dbraw/zinc/87/53/01/1049875301.db2.gz SFHVKTQXHAXCNS-IBGZPJMESA-N 1 0 328.459 4.253 20 30 EIEDRO C[C@@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(F)cc3OCC#N)CC2)C1 ZINC000180321967 1049879900 /nfs/dbraw/zinc/87/99/00/1049879900.db2.gz FJYGEAARYNUBME-CRAIPNDOSA-N 1 0 345.462 4.183 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC001172289828 1049880800 /nfs/dbraw/zinc/88/08/00/1049880800.db2.gz ISZILSZFGHUPON-JTSKRJEESA-N 1 0 327.431 4.263 20 30 EIEDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172295180 1049881867 /nfs/dbraw/zinc/88/18/67/1049881867.db2.gz BDVKGQWUEGUNEU-HOTGVXAUSA-N 1 0 330.435 4.245 20 30 EIEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(N2CCCCC2)c1 ZINC001172296392 1049881965 /nfs/dbraw/zinc/88/19/65/1049881965.db2.gz YYFDAXBZNZKRSL-GOSISDBHSA-N 1 0 333.479 4.269 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cccc(Br)c1 ZINC001172294133 1049882101 /nfs/dbraw/zinc/88/21/01/1049882101.db2.gz FYJOWMVXDABIAG-ZDUSSCGKSA-N 1 0 329.241 4.042 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1OC(F)(F)F ZINC001172292944 1049882150 /nfs/dbraw/zinc/88/21/50/1049882150.db2.gz SDCOVJVRLLZZIO-ZDUSSCGKSA-N 1 0 334.341 4.178 20 30 EIEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](c1ccncc1Cl)C1CC1 ZINC001172299968 1049882921 /nfs/dbraw/zinc/88/29/21/1049882921.db2.gz PZPDGERUPAJNRX-DJJJIMSYSA-N 1 0 325.843 4.279 20 30 EIEDRO CC[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CCO1 ZINC000823904322 1049884135 /nfs/dbraw/zinc/88/41/35/1049884135.db2.gz BNXBTELFGBMOCR-IAGOWNOFSA-N 1 0 326.465 4.334 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000823882034 1049885258 /nfs/dbraw/zinc/88/52/58/1049885258.db2.gz IBBPITOETCEQDX-RPTYLJJZSA-N 1 0 349.519 4.132 20 30 EIEDRO CC1(C#N)CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000823893141 1049886150 /nfs/dbraw/zinc/88/61/50/1049886150.db2.gz TZKUCIAPJPBXQZ-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO CCCCCCC[C@H](CC)[NH2+]CCc1ccc(S(C)(=O)=O)cc1 ZINC001172346653 1049890423 /nfs/dbraw/zinc/89/04/23/1049890423.db2.gz KYLZVRCAMNESED-SFHVURJKSA-N 1 0 339.545 4.361 20 30 EIEDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC001172352565 1049891976 /nfs/dbraw/zinc/89/19/76/1049891976.db2.gz SEACTEZHVNPWEC-CHWSQXEVSA-N 1 0 328.378 4.260 20 30 EIEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001172356839 1049894522 /nfs/dbraw/zinc/89/45/22/1049894522.db2.gz YNBFMGKNWINFBP-GNBUJSLZSA-N 1 0 334.548 4.362 20 30 EIEDRO CCCCCCC[C@@H](CC)[N@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001172358807 1049895045 /nfs/dbraw/zinc/89/50/45/1049895045.db2.gz SDIOHVFIZVCWOI-ZWKOTPCHSA-N 1 0 335.536 4.495 20 30 EIEDRO CCCCCCC[C@H](CC)[NH+]1CCC(OCC(=O)NCCC)CC1 ZINC001172360035 1049895365 /nfs/dbraw/zinc/89/53/65/1049895365.db2.gz HYXCOZSUSIVUNF-SFHVURJKSA-N 1 0 340.552 4.133 20 30 EIEDRO CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000824103264 1049896834 /nfs/dbraw/zinc/89/68/34/1049896834.db2.gz GNTLZEWNZSOTNB-WUJZJPHMSA-N 1 0 337.508 4.132 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001172481289 1049909852 /nfs/dbraw/zinc/90/98/52/1049909852.db2.gz SDFGHEOFJOYVJJ-HNNXBMFYSA-N 1 0 331.460 4.230 20 30 EIEDRO C[C@@H](CCCC#N)n1cc(CC[NH3+])c2ccc(Br)cc21 ZINC001172478225 1049910290 /nfs/dbraw/zinc/91/02/90/1049910290.db2.gz DGLUCLUYRPCQED-LBPRGKRZSA-N 1 0 334.261 4.160 20 30 EIEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccc2c1CCN2C(=O)OC(C)(C)C ZINC001172491185 1049920719 /nfs/dbraw/zinc/92/07/19/1049920719.db2.gz DYRVXWYSYJELJD-HNNXBMFYSA-N 1 0 343.471 4.156 20 30 EIEDRO CCC[N@H+]([C@@H](C)CCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172497819 1049921964 /nfs/dbraw/zinc/92/19/64/1049921964.db2.gz GNAXADRMZIGWGU-INIZCTEOSA-N 1 0 337.508 4.180 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001172499313 1049922669 /nfs/dbraw/zinc/92/26/69/1049922669.db2.gz RCQGRPBHRAZZAZ-HNNXBMFYSA-N 1 0 334.423 4.076 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC001172501124 1049922700 /nfs/dbraw/zinc/92/27/00/1049922700.db2.gz AEAYZSMSGFGAIX-ROUUACIJSA-N 1 0 327.509 4.073 20 30 EIEDRO C[C@@H](CCCC#N)[NH+]1CCC([C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC001172499201 1049923031 /nfs/dbraw/zinc/92/30/31/1049923031.db2.gz BWSJVFUORUXIBF-FUHWJXTLSA-N 1 0 349.519 4.180 20 30 EIEDRO CCC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CCCC#N ZINC001172503341 1049923859 /nfs/dbraw/zinc/92/38/59/1049923859.db2.gz FMXMLAXIECFQGX-DLBZAZTESA-N 1 0 337.508 4.038 20 30 EIEDRO C[C@H](CCCC#N)[NH+]1CCN(c2ccc(F)c(Cl)c2Cl)CC1 ZINC001172504620 1049924205 /nfs/dbraw/zinc/92/42/05/1049924205.db2.gz HFGYJPRHZVKCIF-GFCCVEGCSA-N 1 0 344.261 4.337 20 30 EIEDRO CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCc2c(ccc(=O)n2C)C1 ZINC001172506240 1049924692 /nfs/dbraw/zinc/92/46/92/1049924692.db2.gz QHKNZWBJLRNMNK-RBUKOAKNSA-N 1 0 332.532 4.361 20 30 EIEDRO CCCCCCCCCCCC[C@H](C)[NH2+]C1CC(CO)(CO)C1 ZINC001172565514 1049935476 /nfs/dbraw/zinc/93/54/76/1049935476.db2.gz JMJLIHXYDFEICU-SFHVURJKSA-N 1 0 327.553 4.409 20 30 EIEDRO CCCC[C@H]1C[C@H]([NH+]2CCC(C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001172635815 1049954000 /nfs/dbraw/zinc/95/40/00/1049954000.db2.gz QJFKQFXOHVQEIN-MSOLQXFVSA-N 1 0 349.519 4.180 20 30 EIEDRO C#CCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172638183 1049954013 /nfs/dbraw/zinc/95/40/13/1049954013.db2.gz UYFWKOXYSDVTOR-QZTJIDSGSA-N 1 0 336.520 4.338 20 30 EIEDRO C#CCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172638181 1049954188 /nfs/dbraw/zinc/95/41/88/1049954188.db2.gz UYFWKOXYSDVTOR-MSOLQXFVSA-N 1 0 336.520 4.338 20 30 EIEDRO CCCC[C@@H]1C[C@@H]([NH2+]CC(C)(C)S)CCN1C(=O)OC(C)(C)C ZINC001172626980 1049961338 /nfs/dbraw/zinc/96/13/38/1049961338.db2.gz NCUKRGJUUZSPBM-LSDHHAIUSA-N 1 0 344.565 4.243 20 30 EIEDRO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1C1CCC2(CCCC2)CC1 ZINC001172728421 1049968086 /nfs/dbraw/zinc/96/80/86/1049968086.db2.gz CQSXCTRKWARBBO-IBGZPJMESA-N 1 0 343.515 4.025 20 30 EIEDRO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248776390 1050077320 /nfs/dbraw/zinc/07/73/20/1050077320.db2.gz HOYVDGQTOURWFN-OYYCAODRSA-N 1 0 349.881 4.286 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccc(Br)c(O)c1 ZINC001236699016 1050108254 /nfs/dbraw/zinc/10/82/54/1050108254.db2.gz PYPCSDKIPCKQQZ-UHFFFAOYSA-N 1 0 332.241 4.343 20 30 EIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000181390780 1050114441 /nfs/dbraw/zinc/11/44/41/1050114441.db2.gz WJKUDTDQENBFIW-HSZRJFAPSA-N 1 0 345.490 4.190 20 30 EIEDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)N2CCCC2)c1 ZINC000181401333 1050116112 /nfs/dbraw/zinc/11/61/12/1050116112.db2.gz ZPDSRQQWBQONPA-JTSKRJEESA-N 1 0 349.478 4.055 20 30 EIEDRO C[C@H]([NH2+]CCSCc1ccccc1F)c1ccc(OCC#N)cc1 ZINC000181411526 1050117866 /nfs/dbraw/zinc/11/78/66/1050117866.db2.gz WEFCTUYMUGNFPR-HNNXBMFYSA-N 1 0 344.455 4.312 20 30 EIEDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000181417158 1050120704 /nfs/dbraw/zinc/12/07/04/1050120704.db2.gz CLOTYXMBPGLZJO-VFNWGFHPSA-N 1 0 336.435 4.377 20 30 EIEDRO C=CCN(CC=C)[C@H](C[NH2+]Cc1cc2cc(F)ccc2o1)C(C)C ZINC001177225521 1050169017 /nfs/dbraw/zinc/16/90/17/1050169017.db2.gz FXSQUQLWARWNAE-LJQANCHMSA-N 1 0 330.447 4.360 20 30 EIEDRO C[C@H](Cc1c(F)cccc1Cl)[NH2+]CCCOc1cccc(C#N)c1 ZINC001172852952 1050191402 /nfs/dbraw/zinc/19/14/02/1050191402.db2.gz WSKXNWYJFOITOS-CQSZACIVSA-N 1 0 346.833 4.340 20 30 EIEDRO C[NH+]1CCC(c2ccc(Nc3cc(F)c(C#N)cc3F)cc2)CC1 ZINC001212690735 1050203604 /nfs/dbraw/zinc/20/36/04/1050203604.db2.gz USBFVCJDWPHMNQ-UHFFFAOYSA-N 1 0 327.378 4.389 20 30 EIEDRO Cc1c(Cl)cnc(NC(C)(C)C[N@H+](C)Cc2ccccc2)c1C#N ZINC001186010314 1050210848 /nfs/dbraw/zinc/21/08/48/1050210848.db2.gz XAVAEMBDUJMUTP-UHFFFAOYSA-N 1 0 342.874 4.238 20 30 EIEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(c3ccc(OCC)cc3)CCOCC2)C1 ZINC001177459785 1050215746 /nfs/dbraw/zinc/21/57/46/1050215746.db2.gz YZQXSOWETWXWAT-AZUAARDMSA-N 1 0 343.511 4.468 20 30 EIEDRO CO[C@@H]1CCC[C@H]([NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001172941539 1050240055 /nfs/dbraw/zinc/24/00/55/1050240055.db2.gz FUYDVUJQQALSME-DOTOQJQBSA-N 1 0 348.874 4.012 20 30 EIEDRO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc(C#N)cc1 ZINC001173073308 1050290161 /nfs/dbraw/zinc/29/01/61/1050290161.db2.gz MZZRBOGWYUSFJP-CYBMUJFWSA-N 1 0 334.341 4.178 20 30 EIEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC001177791356 1050302908 /nfs/dbraw/zinc/30/29/08/1050302908.db2.gz VVTYVWWHWMEUFK-RTBURBONSA-N 1 0 334.548 4.135 20 30 EIEDRO N#Cc1ccc([C@@H](O)C[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)cc1 ZINC000763498937 1050314675 /nfs/dbraw/zinc/31/46/75/1050314675.db2.gz FZXZZINJZYNNJP-YADHBBJMSA-N 1 0 332.447 4.134 20 30 EIEDRO Cc1oncc1CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000181752247 1050321639 /nfs/dbraw/zinc/32/16/39/1050321639.db2.gz MEINFFKUYTVXNQ-UHFFFAOYSA-N 1 0 335.382 4.196 20 30 EIEDRO CC(C)(C#N)CCCC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000618283290 1050328867 /nfs/dbraw/zinc/32/88/67/1050328867.db2.gz FZSDUFJBPIOOLM-GHMZBOCLSA-N 1 0 330.316 4.379 20 30 EIEDRO N#CCOc1ccc(C[NH2+]Cc2ccccc2OC2CCCC2)cc1 ZINC000069749944 1050330449 /nfs/dbraw/zinc/33/04/49/1050330449.db2.gz JIUFSHCRJQMZGU-UHFFFAOYSA-N 1 0 336.435 4.200 20 30 EIEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181849925 1050355128 /nfs/dbraw/zinc/35/51/28/1050355128.db2.gz POGNUHSTPXXTKN-OALUTQOASA-N 1 0 347.506 4.304 20 30 EIEDRO CCC1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000181899236 1050382195 /nfs/dbraw/zinc/38/21/95/1050382195.db2.gz QAWIYBSCLFOECK-UHFFFAOYSA-N 1 0 325.500 4.083 20 30 EIEDRO CC(C)c1ccccc1OCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181950002 1050398115 /nfs/dbraw/zinc/39/81/15/1050398115.db2.gz PECCGMRNAIAEGN-QGZVFWFLSA-N 1 0 338.451 4.442 20 30 EIEDRO CCCCCCCC[C@H](CCC)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC001173310279 1050404606 /nfs/dbraw/zinc/40/46/06/1050404606.db2.gz RVRJBKWOXOKVFS-KRWDZBQOSA-N 1 0 331.566 4.415 20 30 EIEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccc(OCc2cccnc2)cc1 ZINC000618562538 1050412726 /nfs/dbraw/zinc/41/27/26/1050412726.db2.gz CIVJDJZVGPBCRK-QKLQHJQFSA-N 1 0 335.451 4.394 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@H](c3cccc(OC)c3)C2)CC1 ZINC001173323147 1050415086 /nfs/dbraw/zinc/41/50/86/1050415086.db2.gz QOWBBGBXUQXOMA-HDYDNRTBSA-N 1 0 329.484 4.388 20 30 EIEDRO N#CCCc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001178220788 1050415578 /nfs/dbraw/zinc/41/55/78/1050415578.db2.gz WOQIPHXBWXVBIQ-NRFANRHFSA-N 1 0 347.462 4.136 20 30 EIEDRO C=CCOC1CCC([N@@H+]2CCC[C@@H](Oc3ccccc3OC)C2)CC1 ZINC001173320650 1050415554 /nfs/dbraw/zinc/41/55/54/1050415554.db2.gz QMZUGRQSINOHEH-CTWPCTMYSA-N 1 0 345.483 4.052 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC3(CC(OCC4CC4)C3)CC2)CC1 ZINC001173320887 1050416207 /nfs/dbraw/zinc/41/62/07/1050416207.db2.gz TXIQDXBTUFHYGW-UHFFFAOYSA-N 1 0 333.516 4.171 20 30 EIEDRO N#CCC1CCC([NH2+]CCCc2ccc(Br)cc2)CC1 ZINC001173324529 1050417157 /nfs/dbraw/zinc/41/71/57/1050417157.db2.gz PBIBFEZINJREPI-UHFFFAOYSA-N 1 0 335.289 4.444 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)CC1 ZINC001173326668 1050417219 /nfs/dbraw/zinc/41/72/19/1050417219.db2.gz MJJUHRDIMKIFTI-XVAXZDLZSA-N 1 0 329.484 4.056 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC001173324437 1050417277 /nfs/dbraw/zinc/41/72/77/1050417277.db2.gz NFYDNPWTWICUBC-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO N#CCC1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC001173324707 1050417961 /nfs/dbraw/zinc/41/79/61/1050417961.db2.gz UQMWOOLEVNGICM-UHFFFAOYSA-N 1 0 325.225 4.150 20 30 EIEDRO C=CCOC1CCC([N@H+]2CCC[C@H]2c2cccc(C(=O)OC)c2)CC1 ZINC001173326133 1050418250 /nfs/dbraw/zinc/41/82/50/1050418250.db2.gz VSKJPTNBEBOPSN-MHJFOBGBSA-N 1 0 343.467 4.124 20 30 EIEDRO CC[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)c1ccc(C#N)cc1 ZINC000618570142 1050418235 /nfs/dbraw/zinc/41/82/35/1050418235.db2.gz RJQKFMSBFBMEHH-NHCUHLMSSA-N 1 0 344.462 4.316 20 30 EIEDRO C=CC[N@H+](Cc1ccccc1)Cc1cc(Br)ccc1O ZINC001203646010 1050419303 /nfs/dbraw/zinc/41/93/03/1050419303.db2.gz YIQYIUGASCSSPQ-UHFFFAOYSA-N 1 0 332.241 4.343 20 30 EIEDRO C=CCOC1CCC([NH+]2CCC(c3ccccc3OC)CC2)CC1 ZINC001173327907 1050419518 /nfs/dbraw/zinc/41/95/18/1050419518.db2.gz VMUMQIVCAGGXMW-UHFFFAOYSA-N 1 0 329.484 4.388 20 30 EIEDRO N#CCC1CCC([NH2+][C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 ZINC001173332871 1050421906 /nfs/dbraw/zinc/42/19/06/1050421906.db2.gz VFMNBMKEMPWCFO-PLOGVPAPSA-N 1 0 333.273 4.367 20 30 EIEDRO CN(CC1CC[NH+](C2CCC(CC#N)CC2)CC1)C(=O)OC(C)(C)C ZINC001173335056 1050425139 /nfs/dbraw/zinc/42/51/39/1050425139.db2.gz DEIHIPUUJVVGSQ-UHFFFAOYSA-N 1 0 349.519 4.038 20 30 EIEDRO COc1ccccc1OCC1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337011 1050425435 /nfs/dbraw/zinc/42/54/35/1050425435.db2.gz VQILOEZJLCBQSK-UHFFFAOYSA-N 1 0 342.483 4.258 20 30 EIEDRO N#CCC1CCC([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC001173334574 1050425921 /nfs/dbraw/zinc/42/59/21/1050425921.db2.gz YBHDMZAOUIUZPD-UHFFFAOYSA-N 1 0 346.902 4.450 20 30 EIEDRO COc1ccccc1O[C@@H]1CCC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173338577 1050428210 /nfs/dbraw/zinc/42/82/10/1050428210.db2.gz FWQZKIZQKPXGMK-DAWZGUTISA-N 1 0 328.456 4.011 20 30 EIEDRO C=CCN1CC[C@]2(CCC[N@@H+]([C@H]3CCCC4(CCCCC4)C3)C2)C1=O ZINC001173345606 1050435088 /nfs/dbraw/zinc/43/50/88/1050435088.db2.gz TZTXYEOUJYLZHK-UGKGYDQZSA-N 1 0 344.543 4.380 20 30 EIEDRO C=CCOC1CCC([NH2+]CC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC001173315002 1050438657 /nfs/dbraw/zinc/43/86/57/1050438657.db2.gz ZCQMXZZUGJLLFW-UHFFFAOYSA-N 1 0 342.266 4.280 20 30 EIEDRO C=CCOC1CCC([NH2+][C@H]2CCN(Cc3cccc(Cl)c3)C2)CC1 ZINC001173316304 1050439739 /nfs/dbraw/zinc/43/97/39/1050439739.db2.gz FKXKWVSVSLSTPN-GPJFCIFZSA-N 1 0 348.918 4.018 20 30 EIEDRO C=CCOC1CCC([NH2+]CCc2cccc3ccc(OC)cc32)CC1 ZINC001173318516 1050441291 /nfs/dbraw/zinc/44/12/91/1050441291.db2.gz YFVFXXNGCVYUST-UHFFFAOYSA-N 1 0 339.479 4.494 20 30 EIEDRO CCCCC[N@H+](CCNc1nccc(C)c1C#N)Cc1ccccc1 ZINC001186940528 1050444554 /nfs/dbraw/zinc/44/45/54/1050444554.db2.gz SKERDOIMLSQKKB-UHFFFAOYSA-N 1 0 336.483 4.366 20 30 EIEDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)n(-c2ccccc2)n1 ZINC000182046388 1050445196 /nfs/dbraw/zinc/44/51/96/1050445196.db2.gz HQUZZGUUUVYJQK-WMZOPIPTSA-N 1 0 344.462 4.334 20 30 EIEDRO C=CC[N@H+](C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(C)(C)C ZINC001173419275 1050449930 /nfs/dbraw/zinc/44/99/30/1050449930.db2.gz AKQBOKKYTNDANH-UHFFFAOYSA-N 1 0 334.891 4.231 20 30 EIEDRO CC(C)[C@@H]([NH2+]C1Cc2cc(F)c(F)cc2C1)c1cccc(C#N)c1 ZINC001173479125 1050460619 /nfs/dbraw/zinc/46/06/19/1050460619.db2.gz ZIYYZMNFALEJGC-HXUWFJFHSA-N 1 0 326.390 4.291 20 30 EIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c1 ZINC001178408768 1050464404 /nfs/dbraw/zinc/46/44/04/1050464404.db2.gz GRSQAMWFXOJDAD-KRWDZBQOSA-N 1 0 333.435 4.288 20 30 EIEDRO CC(C)[C@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)Cc1ccccc1 ZINC001178519366 1050489425 /nfs/dbraw/zinc/48/94/25/1050489425.db2.gz SYQBGPUBXRKBKW-FQEVSTJZSA-N 1 0 335.495 4.229 20 30 EIEDRO C#C[C@@H]([NH2+]Cc1ccc(-c2ccccc2Cl)s1)[C@H]1CCCO1 ZINC001178527648 1050491095 /nfs/dbraw/zinc/49/10/95/1050491095.db2.gz DOGGQQWEJCAODP-IAGOWNOFSA-N 1 0 331.868 4.339 20 30 EIEDRO CC(C)(C)OC(=O)N1CCC[C@](C)([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173586800 1050492725 /nfs/dbraw/zinc/49/27/25/1050492725.db2.gz HCTHAXOZFVFTJR-GQOXECLESA-N 1 0 349.519 4.228 20 30 EIEDRO CC1(C#N)CCC([NH2+]CC2(Cc3ccc(F)cc3)CCOCC2)CC1 ZINC001173591692 1050494261 /nfs/dbraw/zinc/49/42/61/1050494261.db2.gz WMLAVTXPZLMRIF-UHFFFAOYSA-N 1 0 344.474 4.227 20 30 EIEDRO CC1(C#N)CCC([NH2+]C2(Cc3ccccc3Cl)CCOCC2)CC1 ZINC001173591648 1050495003 /nfs/dbraw/zinc/49/50/03/1050495003.db2.gz VMFDOICMLFGQOY-UHFFFAOYSA-N 1 0 346.902 4.494 20 30 EIEDRO CC1(C#N)CCC([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC001173590278 1050495015 /nfs/dbraw/zinc/49/50/15/1050495015.db2.gz CYKOMGOKVJVYJP-ADKAHSJRSA-N 1 0 347.300 4.368 20 30 EIEDRO CC(C)Oc1ccccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182124098 1050496007 /nfs/dbraw/zinc/49/60/07/1050496007.db2.gz RVYGYMJAYKDSBK-UHFFFAOYSA-N 1 0 349.478 4.422 20 30 EIEDRO CN(C)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C12CC3CC(CC(C3)C1)C2 ZINC001173593220 1050496470 /nfs/dbraw/zinc/49/64/70/1050496470.db2.gz JFUVDWLLKLRHPK-IKLWRHPWSA-N 1 0 343.559 4.195 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCC(Oc3ccc(F)cc3F)CC2)CC1 ZINC001173596322 1050497440 /nfs/dbraw/zinc/49/74/40/1050497440.db2.gz RYWVZINPRYYJDV-UHFFFAOYSA-N 1 0 334.410 4.280 20 30 EIEDRO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173595131 1050497895 /nfs/dbraw/zinc/49/78/95/1050497895.db2.gz LSJNKUHRVXQLLB-GNZRSQJKSA-N 1 0 349.519 4.036 20 30 EIEDRO CC1(C#N)CCC([N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001173597933 1050498818 /nfs/dbraw/zinc/49/88/18/1050498818.db2.gz JTCWXIACYOYINA-UHFFFAOYSA-N 1 0 341.282 4.260 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1Br ZINC000618741669 1050498812 /nfs/dbraw/zinc/49/88/12/1050498812.db2.gz JUYMMPNLHRVDKQ-KRWDZBQOSA-N 1 0 327.225 4.098 20 30 EIEDRO CC(C)(C)OC(=O)NC[C@]1(C)CCC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596805 1050499347 /nfs/dbraw/zinc/49/93/47/1050499347.db2.gz DHSOXQBPEVKSAF-GQOXECLESA-N 1 0 349.519 4.086 20 30 EIEDRO CC(C)c1ccc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cc1[N+](=O)[O-] ZINC000618741641 1050500000 /nfs/dbraw/zinc/50/00/00/1050500000.db2.gz ISQXNMFCBYIOEE-IBGZPJMESA-N 1 0 335.407 4.367 20 30 EIEDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c(Cl)c1OC ZINC000618742469 1050500064 /nfs/dbraw/zinc/50/00/64/1050500064.db2.gz YYULFYAJZRDVIN-MRXNPFEDSA-N 1 0 342.826 4.006 20 30 EIEDRO C[N@H+](C1CCC(C)(C#N)CC1)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001173600600 1050502619 /nfs/dbraw/zinc/50/26/19/1050502619.db2.gz GFFXFUBGMSKSPX-RRWXTXHCSA-N 1 0 349.519 4.180 20 30 EIEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(Br)s1 ZINC000618741888 1050502846 /nfs/dbraw/zinc/50/28/46/1050502846.db2.gz ISDXVIKFOMOGKK-CQSZACIVSA-N 1 0 333.254 4.159 20 30 EIEDRO CC1(C#N)CCC([NH+]2CCN(c3cccc4sccc43)CC2)CC1 ZINC001173600407 1050502987 /nfs/dbraw/zinc/50/29/87/1050502987.db2.gz FJURGYFMOQSQFU-UHFFFAOYSA-N 1 0 339.508 4.496 20 30 EIEDRO C#CC1([NH2+]C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)CCCCC1 ZINC001173678015 1050528361 /nfs/dbraw/zinc/52/83/61/1050528361.db2.gz WXZNNQXPHDQFOL-HZPDHXFCSA-N 1 0 334.504 4.089 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000763502470 1050530496 /nfs/dbraw/zinc/53/04/96/1050530496.db2.gz NHTQQXGPTPXNSG-QGZVFWFLSA-N 1 0 347.245 4.177 20 30 EIEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(-n2cccn2)cc1 ZINC000618803154 1050533369 /nfs/dbraw/zinc/53/33/69/1050533369.db2.gz GRHFJDKVFCCLCW-VFNWGFHPSA-N 1 0 328.419 4.082 20 30 EIEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc2cnccc2c1 ZINC000618809722 1050536594 /nfs/dbraw/zinc/53/65/94/1050536594.db2.gz PWUPFVLBXRPIOU-UHFFFAOYSA-N 1 0 333.391 4.331 20 30 EIEDRO CCC1([NH+]2CCCCC2)CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC001187462974 1050544430 /nfs/dbraw/zinc/54/44/30/1050544430.db2.gz KGRSVZOLBPWUBP-UHFFFAOYSA-N 1 0 346.906 4.150 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC001179053727 1050617993 /nfs/dbraw/zinc/61/79/93/1050617993.db2.gz NQFSOGBAQXRFDJ-GFCCVEGCSA-N 1 0 346.685 4.416 20 30 EIEDRO CC1([NH+]2CCC2)CCC(Nc2cc(Br)ccc2C#N)CC1 ZINC001187799967 1050623418 /nfs/dbraw/zinc/62/34/18/1050623418.db2.gz ZSZLDTTVUALDIR-UHFFFAOYSA-N 1 0 348.288 4.140 20 30 EIEDRO C=CCC1([NH2+]Cc2cccc(COc3ccccc3)c2)CCOCC1 ZINC001179105068 1050631752 /nfs/dbraw/zinc/63/17/52/1050631752.db2.gz FOUXRSFRUXMHON-UHFFFAOYSA-N 1 0 337.463 4.481 20 30 EIEDRO N#Cc1ccc(CC[NH2+]Cc2cccc(Br)c2Cl)cc1 ZINC001179142728 1050632576 /nfs/dbraw/zinc/63/25/76/1050632576.db2.gz LJDGUTWTJCNTOX-UHFFFAOYSA-N 1 0 349.659 4.306 20 30 EIEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC001179375693 1050684710 /nfs/dbraw/zinc/68/47/10/1050684710.db2.gz DIHQMKHYMNKCTL-ZSXDVEMLSA-N 1 0 348.531 4.499 20 30 EIEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cn(-c3ccccc3Cl)nc2C)CC1 ZINC001179507490 1050714020 /nfs/dbraw/zinc/71/40/20/1050714020.db2.gz WUOFATYGSYTOTB-JCNLHEQBSA-N 1 0 327.859 4.116 20 30 EIEDRO C=CCOc1ccc(C[NH2+]C[C@]2(C)CCOC3(CCC3)C2)cc1OC ZINC001179622042 1050744130 /nfs/dbraw/zinc/74/41/30/1050744130.db2.gz SKPZKLOGOXOCEB-HXUWFJFHSA-N 1 0 345.483 4.089 20 30 EIEDRO C=CCOc1ccc(C[NH2+]CC2(OC)CCCCCC2)cc1OC ZINC001179752455 1050773030 /nfs/dbraw/zinc/77/30/30/1050773030.db2.gz UCIMYBSOXSJUGI-UHFFFAOYSA-N 1 0 333.472 4.089 20 30 EIEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508368 1050796041 /nfs/dbraw/zinc/79/60/41/1050796041.db2.gz JLCTYKBSJDFKCO-NPFVIJTESA-N 1 0 334.463 4.080 20 30 EIEDRO CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508618 1050798237 /nfs/dbraw/zinc/79/82/37/1050798237.db2.gz PGPWIOOSJWHAQR-YADHBBJMSA-N 1 0 331.463 4.102 20 30 EIEDRO C=CCOc1c(Cl)cc(C[N@@H+](C[C@@H](C)OC)C(C)C)cc1OC ZINC001179899014 1050807140 /nfs/dbraw/zinc/80/71/40/1050807140.db2.gz XNSJAMDWDQXRSA-CQSZACIVSA-N 1 0 341.879 4.159 20 30 EIEDRO COc1ccc(-c2nc(C[NH2+]CC3CCC(C#N)CC3)cs2)cc1 ZINC000619655356 1050847866 /nfs/dbraw/zinc/84/78/66/1050847866.db2.gz NSUGVUCHRNCIOT-UHFFFAOYSA-N 1 0 341.480 4.238 20 30 EIEDRO CCC(CC)[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)c1cccs1 ZINC000775209481 1050868176 /nfs/dbraw/zinc/86/81/76/1050868176.db2.gz BIAOBFPKYOAYQX-IEBWSBKVSA-N 1 0 328.481 4.420 20 30 EIEDRO COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754954 1050884821 /nfs/dbraw/zinc/88/48/21/1050884821.db2.gz PDKVAYDLDIZEDL-GOSISDBHSA-N 1 0 326.827 4.387 20 30 EIEDRO COC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000619755081 1050884885 /nfs/dbraw/zinc/88/48/85/1050884885.db2.gz SKNHSWURTABEKY-KRWDZBQOSA-N 1 0 335.234 4.342 20 30 EIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000619754925 1050885606 /nfs/dbraw/zinc/88/56/06/1050885606.db2.gz OSIZJWPYERXHID-AWEZNQCLSA-N 1 0 341.842 4.027 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2OCC2CC2)cc1Cl ZINC000619748886 1050895916 /nfs/dbraw/zinc/89/59/16/1050895916.db2.gz XBRHZVHLDXNSRK-UHFFFAOYSA-N 1 0 326.827 4.290 20 30 EIEDRO CC[N@H+](CC1(c2ccc3c(c2)OCO3)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC001180199399 1050927480 /nfs/dbraw/zinc/92/74/80/1050927480.db2.gz RYUJIYZMZPLJEJ-MRXNPFEDSA-N 1 0 348.446 4.402 20 30 EIEDRO C=CC[N@H+](Cc1cccs1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001180505182 1051022342 /nfs/dbraw/zinc/02/23/42/1051022342.db2.gz IXGSZSHREZXOTC-GASCZTMLSA-N 1 0 336.501 4.039 20 30 EIEDRO C[C@@H]([NH2+]Cc1cccc(SC(=O)N(C)C)c1)c1cccc(C#N)c1 ZINC000775335282 1051082335 /nfs/dbraw/zinc/08/23/35/1051082335.db2.gz HBSKSRPCCFYULP-CQSZACIVSA-N 1 0 339.464 4.183 20 30 EIEDRO C[C@H](Cc1ccno1)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001180812347 1051091234 /nfs/dbraw/zinc/09/12/34/1051091234.db2.gz ZCIFUXKQJSOKMN-HZPDHXFCSA-N 1 0 331.419 4.495 20 30 EIEDRO CCCCCCC[NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000775363589 1051129911 /nfs/dbraw/zinc/12/99/11/1051129911.db2.gz RWGWWGCEVBQESX-INIZCTEOSA-N 1 0 336.495 4.408 20 30 EIEDRO C=CCC[C@@H]([NH2+]C1CCN(c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000121380970 1051184856 /nfs/dbraw/zinc/18/48/56/1051184856.db2.gz QGOZUBCATKZRBO-OAQYLSRUSA-N 1 0 327.516 4.056 20 30 EIEDRO C=CCN(Cc1ccccc1F)C[C@@H](O)c1cc2ccccc2o1 ZINC001190485037 1051187441 /nfs/dbraw/zinc/18/74/41/1051187441.db2.gz GEQSILDNDPHRNA-GOSISDBHSA-N 1 0 325.383 4.294 20 30 EIEDRO C=CCC[C@H](O)C[NH+]1CCC(c2c[nH]c3c2cccc3CC)CC1 ZINC001190466325 1051193352 /nfs/dbraw/zinc/19/33/52/1051193352.db2.gz VPGMBUBVMKBEQI-SFHVURJKSA-N 1 0 326.484 4.237 20 30 EIEDRO CC[C@](C)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000775390454 1051193767 /nfs/dbraw/zinc/19/37/67/1051193767.db2.gz NJWTUTRHXQJAAS-IBGZPJMESA-N 1 0 341.842 4.065 20 30 EIEDRO C=C(C)Nc1ccccc1C[N@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC001174794756 1051197601 /nfs/dbraw/zinc/19/76/01/1051197601.db2.gz IZAGRDQQDOGSNP-IBGZPJMESA-N 1 0 330.859 4.451 20 30 EIEDRO CC(C)[N@H+](CCCOc1cccc(C#N)c1)Cc1cccc(F)c1 ZINC001190509861 1051197959 /nfs/dbraw/zinc/19/79/59/1051197959.db2.gz HOEVJUSRHQKOFE-UHFFFAOYSA-N 1 0 326.415 4.377 20 30 EIEDRO C#CCN(Cc1cc(OC)ccc1Cl)[C@H]1CCc2ccccc21 ZINC001190529618 1051207230 /nfs/dbraw/zinc/20/72/30/1051207230.db2.gz UXAVPIRCWGSYHV-FQEVSTJZSA-N 1 0 325.839 4.471 20 30 EIEDRO C#CC[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000775398384 1051230696 /nfs/dbraw/zinc/23/06/96/1051230696.db2.gz IDANGWRDMKYTEX-GOSISDBHSA-N 1 0 326.827 4.023 20 30 EIEDRO C#CC[C@@H]([NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775400033 1051231057 /nfs/dbraw/zinc/23/10/57/1051231057.db2.gz HFKFNBBDGGWBKU-MSOLQXFVSA-N 1 0 333.353 4.093 20 30 EIEDRO C[N@H+](CCCOc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC001190661416 1051234838 /nfs/dbraw/zinc/23/48/38/1051234838.db2.gz SKPWCSACBAXUKZ-UHFFFAOYSA-N 1 0 348.368 4.478 20 30 EIEDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775401520 1051237948 /nfs/dbraw/zinc/23/79/48/1051237948.db2.gz QWGIZBJTUQODDQ-IFZYUDKTSA-N 1 0 338.426 4.177 20 30 EIEDRO C[C@@H]1CCC[C@H]([N@H+](CCCC#N)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC001190683490 1051257434 /nfs/dbraw/zinc/25/74/34/1051257434.db2.gz WPJFHMMPPMDFAL-NUJGCVRESA-N 1 0 328.456 4.346 20 30 EIEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(OCC#N)cc1 ZINC000775407953 1051263013 /nfs/dbraw/zinc/26/30/13/1051263013.db2.gz RMOLVWJKPGIIMV-YCRPNKLZSA-N 1 0 331.419 4.189 20 30 EIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001190781630 1051276716 /nfs/dbraw/zinc/27/67/16/1051276716.db2.gz UJCRRNAGEFAWBA-GOSISDBHSA-N 1 0 335.407 4.236 20 30 EIEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC001181699145 1051292177 /nfs/dbraw/zinc/29/21/77/1051292177.db2.gz ZQPWLIXAQWNEHK-HNNXBMFYSA-N 1 0 345.368 4.352 20 30 EIEDRO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001181970540 1051372634 /nfs/dbraw/zinc/37/26/34/1051372634.db2.gz DLTLCCKLTOWDSP-HNNXBMFYSA-N 1 0 343.829 4.481 20 30 EIEDRO Cc1cccc([C@@H]2CCCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)c1C ZINC001191214564 1051389227 /nfs/dbraw/zinc/38/92/27/1051389227.db2.gz PVPQSTSYDXOYHU-VXKWHMMOSA-N 1 0 334.463 4.436 20 30 EIEDRO CCC[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001191259456 1051398888 /nfs/dbraw/zinc/39/88/88/1051398888.db2.gz WIHAKCNYDBLSGW-LJQANCHMSA-N 1 0 347.890 4.442 20 30 EIEDRO Cc1oc(C(C)(C)C)cc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001182136786 1051402454 /nfs/dbraw/zinc/40/24/54/1051402454.db2.gz CXNARJNFAWVODC-UHFFFAOYSA-N 1 0 340.467 4.406 20 30 EIEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001191232124 1051405234 /nfs/dbraw/zinc/40/52/34/1051405234.db2.gz GFZPXHNFXUQYQH-SFTDATJTSA-N 1 0 347.462 4.155 20 30 EIEDRO C#CCCCCCCCCC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001182186314 1051416670 /nfs/dbraw/zinc/41/66/70/1051416670.db2.gz GIWYLWXAAGUEJX-FQEVSTJZSA-N 1 0 332.532 4.217 20 30 EIEDRO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC001191454392 1051447806 /nfs/dbraw/zinc/44/78/06/1051447806.db2.gz NURTVQYOAXCMPG-GHTZIAJQSA-N 1 0 347.462 4.012 20 30 EIEDRO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC001175228990 1051457457 /nfs/dbraw/zinc/45/74/57/1051457457.db2.gz KPFKNFVUERLZKF-IBGZPJMESA-N 1 0 342.389 4.081 20 30 EIEDRO CCC(CC)([NH2+]C[C@@H](O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC001191582132 1051482563 /nfs/dbraw/zinc/48/25/63/1051482563.db2.gz MHILTMRVLGLEMN-KRWDZBQOSA-N 1 0 334.891 4.390 20 30 EIEDRO N#Cc1ccccc1OCC[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001191626401 1051493492 /nfs/dbraw/zinc/49/34/92/1051493492.db2.gz IIWKUWHZDMMCHB-IFMALSPDSA-N 1 0 332.447 4.338 20 30 EIEDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC(C)C)c1)c1ccc(C#N)cc1 ZINC000774204223 1051499506 /nfs/dbraw/zinc/49/95/06/1051499506.db2.gz QOOVYHROKLMKLH-NHCUHLMSSA-N 1 0 338.451 4.120 20 30 EIEDRO CC[C@H](C#N)Oc1cc(C[NH2+][C@H](C)c2cc(C)oc2C)ccc1OC ZINC000774237700 1051512872 /nfs/dbraw/zinc/51/28/72/1051512872.db2.gz POUIUHDMEAOUNO-RHSMWYFYSA-N 1 0 342.439 4.437 20 30 EIEDRO N#Cc1ncc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC001175362359 1051551220 /nfs/dbraw/zinc/55/12/20/1051551220.db2.gz MXBGJBYLZMWNGE-UHFFFAOYSA-N 1 0 326.831 4.336 20 30 EIEDRO C=CCCC[NH+]1CCC([C@H](CC(=O)OCC)c2ccccc2)CC1 ZINC001191937584 1051587791 /nfs/dbraw/zinc/58/77/91/1051587791.db2.gz CPGFMCMCMZXRRD-HXUWFJFHSA-N 1 0 329.484 4.402 20 30 EIEDRO N#Cc1c(F)ccc(NC2=CC[N@H+](Cc3ccccc3)CC2)c1F ZINC001175506104 1051638229 /nfs/dbraw/zinc/63/82/29/1051638229.db2.gz OSUUIRZNUFSKEH-UHFFFAOYSA-N 1 0 325.362 4.038 20 30 EIEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001192172324 1051643660 /nfs/dbraw/zinc/64/36/60/1051643660.db2.gz BGMWAEDQKIBEAG-KBXCAEBGSA-N 1 0 347.890 4.441 20 30 EIEDRO N#Cc1ccc(C[NH+]2CCC3(CCc4ccccc4C3)CC2)c(F)c1 ZINC001182712937 1051681619 /nfs/dbraw/zinc/68/16/19/1051681619.db2.gz DGSDQEWJIAOBNO-UHFFFAOYSA-N 1 0 334.438 4.468 20 30 EIEDRO CC1(c2cccc(Br)c2)CC[NH+](CC2(CC#N)CC2)CC1 ZINC001192292102 1051684468 /nfs/dbraw/zinc/68/44/68/1051684468.db2.gz NGPHTBUJANCRCX-UHFFFAOYSA-N 1 0 347.300 4.496 20 30 EIEDRO CCc1cccc2cc(C[N@H+](C)C[C@@H](O)c3cccc(C#N)c3)oc21 ZINC001182763348 1051685150 /nfs/dbraw/zinc/68/51/50/1051685150.db2.gz CYNHYJWTFGVVOX-HXUWFJFHSA-N 1 0 334.419 4.032 20 30 EIEDRO CC#CCCCCCCCC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001182768466 1051703133 /nfs/dbraw/zinc/70/31/33/1051703133.db2.gz CXSDXSZPJFSLBY-FQEVSTJZSA-N 1 0 332.532 4.217 20 30 EIEDRO N#CC1(CCCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC001192389751 1051711745 /nfs/dbraw/zinc/71/17/45/1051711745.db2.gz ILCJYPVYOHUOBD-UHFFFAOYSA-N 1 0 327.428 4.423 20 30 EIEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)COc1ccc(CCOC)cc1 ZINC001182843720 1051713452 /nfs/dbraw/zinc/71/34/52/1051713452.db2.gz GHFWYPGZDMQGJV-QFUCXCTJSA-N 1 0 331.500 4.367 20 30 EIEDRO N#CC1(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCCCC1 ZINC001182929676 1051755900 /nfs/dbraw/zinc/75/59/00/1051755900.db2.gz GKKALVCTSXSINH-CTNGQTDRSA-N 1 0 337.511 4.418 20 30 EIEDRO COC(=O)c1cccc(C[NH2+][C@@H](CCC(C)C)C(C)(C)C)c1C#N ZINC001192604115 1051775814 /nfs/dbraw/zinc/77/58/14/1051775814.db2.gz JSNRFARRJMBOSV-SFHVURJKSA-N 1 0 330.472 4.285 20 30 EIEDRO CC[NH+]1CCN(c2ccc(Nc3cc(Cl)cc(C#N)c3)cc2)CC1 ZINC001175781161 1051783357 /nfs/dbraw/zinc/78/33/57/1051783357.db2.gz DDGHJKBJXCWVTQ-UHFFFAOYSA-N 1 0 340.858 4.097 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1ccc(C#N)cc1)c1cccc(N2CCCC2)c1 ZINC000775549308 1051812791 /nfs/dbraw/zinc/81/27/91/1051812791.db2.gz KKZGNRCAPPSBDV-GOSISDBHSA-N 1 0 349.478 4.278 20 30 EIEDRO C=CCC[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(C(F)(F)F)cc1 ZINC000775553485 1051824629 /nfs/dbraw/zinc/82/46/29/1051824629.db2.gz OZTZVUKDFXXYEH-HOCLYGCPSA-N 1 0 341.373 4.256 20 30 EIEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000774613015 1051825387 /nfs/dbraw/zinc/82/53/87/1051825387.db2.gz GQOPMSGPRDKKPQ-LJQANCHMSA-N 1 0 346.833 4.296 20 30 EIEDRO N#CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1 ZINC000775552588 1051831397 /nfs/dbraw/zinc/83/13/97/1051831397.db2.gz IPQPWEYMBBAKTA-OAQYLSRUSA-N 1 0 347.462 4.057 20 30 EIEDRO CC[C@H](c1ccc(F)cc1)N1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC001175908840 1051839702 /nfs/dbraw/zinc/83/97/02/1051839702.db2.gz XHQFJTONHPJUDE-WIXQSORDSA-N 1 0 343.490 4.224 20 30 EIEDRO CCCCCCC[C@H](C)NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001192937970 1051839999 /nfs/dbraw/zinc/83/99/99/1051839999.db2.gz LSGGNEOCHOMMQH-SFHVURJKSA-N 1 0 337.552 4.253 20 30 EIEDRO CC[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001193210563 1051887156 /nfs/dbraw/zinc/88/71/56/1051887156.db2.gz OIECMCVOJNRYAL-AVRDEDQJSA-N 1 0 333.479 4.216 20 30 EIEDRO C#CCN1CCC[C@H]([NH2+]CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC001183798588 1051900586 /nfs/dbraw/zinc/90/05/86/1051900586.db2.gz GFHHGUPUPUAWFZ-INIZCTEOSA-N 1 0 339.310 4.003 20 30 EIEDRO C#CCN1CCC[C@@H]([NH2+]CCCCc2ccc(Cl)c(Cl)c2)C1 ZINC001183798589 1051901830 /nfs/dbraw/zinc/90/18/30/1051901830.db2.gz GFHHGUPUPUAWFZ-MRXNPFEDSA-N 1 0 339.310 4.003 20 30 EIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000621731895 1051927414 /nfs/dbraw/zinc/92/74/14/1051927414.db2.gz DWJLJPGXFUAGBI-QGZVFWFLSA-N 1 0 342.508 4.092 20 30 EIEDRO CC(C)(O)C#Cc1cccc(Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC001176197822 1051950849 /nfs/dbraw/zinc/95/08/49/1051950849.db2.gz LDBWIFCYOJYPJX-UHFFFAOYSA-N 1 0 334.463 4.148 20 30 EIEDRO C=CCC[C@@H](CC)[NH2+]CC1(c2ccccc2)CC(O)(C(F)(F)F)C1 ZINC001184198022 1051963451 /nfs/dbraw/zinc/96/34/51/1051963451.db2.gz UYHRUAHVUKTXTG-WWDZGPRUSA-N 1 0 341.417 4.346 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2cc(C#N)cc(C(F)(F)F)c2)cc1 ZINC001176228922 1051965342 /nfs/dbraw/zinc/96/53/42/1051965342.db2.gz AGYDBTNGPGMUEH-UHFFFAOYSA-N 1 0 349.356 4.261 20 30 EIEDRO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001193649282 1051966173 /nfs/dbraw/zinc/96/61/73/1051966173.db2.gz NRGSILAXHRGBJR-RLLQIKCJSA-N 1 0 339.483 4.002 20 30 EIEDRO C[NH+](C)CCOc1ccc(Nc2cccc3c(C#N)cccc23)cc1 ZINC001176229237 1051966629 /nfs/dbraw/zinc/96/66/29/1051966629.db2.gz NKXKUFCAOYRZBH-UHFFFAOYSA-N 1 0 331.419 4.395 20 30 EIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001176234924 1051968574 /nfs/dbraw/zinc/96/85/74/1051968574.db2.gz LLTNRFUUSBZSDE-WMLDXEAASA-N 1 0 337.492 4.444 20 30 EIEDRO N#Cc1cc(Nc2cccc(C[NH+]3CCCC3)c2)ccc1N1CCCC1 ZINC001176198871 1051972635 /nfs/dbraw/zinc/97/26/35/1051972635.db2.gz NWPZOZCMOQOWOD-UHFFFAOYSA-N 1 0 346.478 4.498 20 30 EIEDRO C[NH+](C)Cc1ccc(Nc2cccc(C#N)c2Br)cc1 ZINC001176291610 1051978503 /nfs/dbraw/zinc/97/85/03/1051978503.db2.gz HXYSKZMYFCMVBK-UHFFFAOYSA-N 1 0 330.229 4.126 20 30 EIEDRO C#CCC1([NH2+]Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)CCOCC1 ZINC001176262747 1051987907 /nfs/dbraw/zinc/98/79/07/1051987907.db2.gz NTBKHGCSNWIREU-UHFFFAOYSA-N 1 0 346.540 4.055 20 30 EIEDRO C=C[C@@H]1CCCC[N@H+]1CC1(COc2cccc(COC)c2)CCC1 ZINC001193943378 1052044777 /nfs/dbraw/zinc/04/47/77/1052044777.db2.gz VSHDEAOWPNTLHM-LJQANCHMSA-N 1 0 329.484 4.423 20 30 EIEDRO C#CCC1([NH2+]CCc2cc(Cl)c3c(c2)OCCCO3)CCCCC1 ZINC001176432556 1052052671 /nfs/dbraw/zinc/05/26/71/1052052671.db2.gz PQIYBXSDUSLXTI-UHFFFAOYSA-N 1 0 347.886 4.360 20 30 EIEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC001176442539 1052059471 /nfs/dbraw/zinc/05/94/71/1052059471.db2.gz YEZHMLVBVGQWTI-ZDUSSCGKSA-N 1 0 326.827 4.306 20 30 EIEDRO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)N(C)Cc1ccc(C#N)c(F)c1 ZINC001194457987 1052147924 /nfs/dbraw/zinc/14/79/24/1052147924.db2.gz QJVCGRBIZAJKIQ-NSHDSACASA-N 1 0 342.805 4.420 20 30 EIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001176855714 1052203690 /nfs/dbraw/zinc/20/36/90/1052203690.db2.gz GRYFRVRDXSDYQM-IEBWSBKVSA-N 1 0 326.484 4.126 20 30 EIEDRO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000184865986 1052271785 /nfs/dbraw/zinc/27/17/85/1052271785.db2.gz BLTQANIUBHOHGZ-MRXNPFEDSA-N 1 0 347.418 4.333 20 30 EIEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072605862 1052497291 /nfs/dbraw/zinc/49/72/91/1052497291.db2.gz WRVLDFFKJOZINI-IAGOWNOFSA-N 1 0 338.455 4.303 20 30 EIEDRO C=CCC[C@H](O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000671247365 1052529456 /nfs/dbraw/zinc/52/94/56/1052529456.db2.gz SDBJTEHXGWGNPQ-IBGZPJMESA-N 1 0 327.493 4.045 20 30 EIEDRO COc1cc(C[N@H+](C)C2CCC2)ccc1OCc1cccc(C#N)c1 ZINC000072721895 1052580921 /nfs/dbraw/zinc/58/09/21/1052580921.db2.gz XMHPHADGTJNGFH-UHFFFAOYSA-N 1 0 336.435 4.130 20 30 EIEDRO C=CCC[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)c1ccccc1 ZINC000192642387 1052626884 /nfs/dbraw/zinc/62/68/84/1052626884.db2.gz YRQLYYDMOLWEHL-QGZVFWFLSA-N 1 0 338.476 4.397 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000073052371 1052685594 /nfs/dbraw/zinc/68/55/94/1052685594.db2.gz QYZKXUGRWNWRSG-UHFFFAOYSA-N 1 0 347.384 4.345 20 30 EIEDRO C=CCN(Cc1c(C2CC2)nc2sccn12)Cc1cccc(C#N)c1 ZINC000179856362 1052761649 /nfs/dbraw/zinc/76/16/49/1052761649.db2.gz VRTRWWZAQKTDSK-UHFFFAOYSA-N 1 0 348.475 4.333 20 30 EIEDRO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000180139267 1052782581 /nfs/dbraw/zinc/78/25/81/1052782581.db2.gz YBAUNJLCAPXAQM-AWEZNQCLSA-N 1 0 328.337 4.279 20 30 EIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3sccc3Cl)CC2)nc1 ZINC000193200240 1053023767 /nfs/dbraw/zinc/02/37/67/1053023767.db2.gz RKGBJHNMMGRHHG-UHFFFAOYSA-N 1 0 347.871 4.148 20 30 EIEDRO CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001194744607 1053079031 /nfs/dbraw/zinc/07/90/31/1053079031.db2.gz ISURGQNIYIDUBL-OXQOHEQNSA-N 1 0 335.451 4.291 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(O)c(C(C)(C)C)c1 ZINC000850169117 1053079661 /nfs/dbraw/zinc/07/96/61/1053079661.db2.gz XJOVVIAYWAONKD-AWEZNQCLSA-N 1 0 338.451 4.421 20 30 EIEDRO C=CCC1([NH2+]Cc2cc(C)c(OC(F)F)c(C)c2)CCOCC1 ZINC000850368656 1053141240 /nfs/dbraw/zinc/14/12/40/1053141240.db2.gz OAVOWMNHAINGES-UHFFFAOYSA-N 1 0 325.399 4.120 20 30 EIEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000850413975 1053184877 /nfs/dbraw/zinc/18/48/77/1053184877.db2.gz WIGIZJSGCGKKDM-MOPGFXCFSA-N 1 0 328.843 4.059 20 30 EIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)ccc1OC ZINC000850444835 1053219014 /nfs/dbraw/zinc/21/90/14/1053219014.db2.gz ZOVLUWVXGSWXHY-CLWJZODNSA-N 1 0 342.483 4.290 20 30 EIEDRO C[N@H+](CCCCc1ccccc1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173542644 1053239457 /nfs/dbraw/zinc/23/94/57/1053239457.db2.gz ZVEYGJCHPLHVIC-UHFFFAOYSA-N 1 0 346.434 4.063 20 30 EIEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000850481060 1053251593 /nfs/dbraw/zinc/25/15/93/1053251593.db2.gz DZMZTKJROHFWPT-KVSKMBFKSA-N 1 0 328.456 4.429 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000850483033 1053253763 /nfs/dbraw/zinc/25/37/63/1053253763.db2.gz NHIPKUCSXCCPHM-HOCLYGCPSA-N 1 0 329.444 4.206 20 30 EIEDRO CCC[N@H+](C)[C@H](C/N=C/c1cccc(O)c1O)c1ccc(Cl)cc1 ZINC000794679814 1053261331 /nfs/dbraw/zinc/26/13/31/1053261331.db2.gz JFFBEIOZFNOLFI-KKJJZKEWSA-N 1 0 346.858 4.253 20 30 EIEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(Br)cc1O ZINC000850551228 1053305856 /nfs/dbraw/zinc/30/58/56/1053305856.db2.gz SMLFUKGPOWPSOH-GFCCVEGCSA-N 1 0 337.261 4.279 20 30 EIEDRO C(=[NH+]NCc1cnc2ccccc2c1)c1ccc(N2CCCCC2)cc1 ZINC000764777541 1053309591 /nfs/dbraw/zinc/30/95/91/1053309591.db2.gz DAACTMGEEJENLE-UHFFFAOYSA-N 1 0 344.462 4.349 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)cc1 ZINC000764900255 1053363503 /nfs/dbraw/zinc/36/35/03/1053363503.db2.gz MPZUXNWIXVBUHU-LJQANCHMSA-N 1 0 349.474 4.098 20 30 EIEDRO N#Cc1cccc2c1CCN2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001195314053 1053375449 /nfs/dbraw/zinc/37/54/49/1053375449.db2.gz HSWXPMXNNURHFP-UHFFFAOYSA-N 1 0 331.463 4.107 20 30 EIEDRO Fc1ccc(C#CC[NH+]2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC001195384755 1053395956 /nfs/dbraw/zinc/39/59/56/1053395956.db2.gz DRAFJIVMFNQMLB-UHFFFAOYSA-N 1 0 347.437 4.008 20 30 EIEDRO C[C@H](c1cccc2ccccc21)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001195877113 1053511970 /nfs/dbraw/zinc/51/19/70/1053511970.db2.gz RBWQGHVRRRUACG-OPAMFIHVSA-N 1 0 330.431 4.438 20 30 EIEDRO N#CC1(c2ccc(C[NH2+]CCOc3ccc(F)c(Cl)c3)cc2)CC1 ZINC001202483678 1053512782 /nfs/dbraw/zinc/51/27/82/1053512782.db2.gz NRGUDEMXBQDBBJ-UHFFFAOYSA-N 1 0 344.817 4.203 20 30 EIEDRO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000765461254 1053555783 /nfs/dbraw/zinc/55/57/83/1053555783.db2.gz LMTOTNAGDGBNMH-CQSZACIVSA-N 1 0 344.252 4.312 20 30 EIEDRO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000852319285 1053567248 /nfs/dbraw/zinc/56/72/48/1053567248.db2.gz JKDDWLUYMIFWCR-OAHLLOKOSA-N 1 0 329.444 4.159 20 30 EIEDRO CCc1ccc2c(C[NH2+]C(C)(C)c3cccc(C#N)c3)cc(=O)oc2c1 ZINC000852354174 1053573323 /nfs/dbraw/zinc/57/33/23/1053573323.db2.gz JOPPKCRYXRPPLT-UHFFFAOYSA-N 1 0 346.430 4.252 20 30 EIEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000852685733 1053602288 /nfs/dbraw/zinc/60/22/88/1053602288.db2.gz JKAJTICIMUGXCG-OKILXGFUSA-N 1 0 338.423 4.123 20 30 EIEDRO Cc1cccc(C)c1Oc1ccccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852819203 1053615764 /nfs/dbraw/zinc/61/57/64/1053615764.db2.gz AYKPPMFKRQSFQW-UHFFFAOYSA-N 1 0 348.446 4.037 20 30 EIEDRO C=CC[C@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC001196442259 1053661494 /nfs/dbraw/zinc/66/14/94/1053661494.db2.gz QBMJNTFOSGRMTN-LBPRGKRZSA-N 1 0 327.255 4.220 20 30 EIEDRO C=C(C)[C@@H]([NH2+]Cc1cccc2nsnc21)c1ccc(F)c(F)c1 ZINC000775720311 1053678269 /nfs/dbraw/zinc/67/82/69/1053678269.db2.gz GFEXTQTVIVHLHZ-MRXNPFEDSA-N 1 0 331.391 4.377 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCc3cc(OC)ccc32)c1 ZINC000866296312 1053681236 /nfs/dbraw/zinc/68/12/36/1053681236.db2.gz AJTIMPZMLGJUCT-UTKZUKDTSA-N 1 0 336.435 4.153 20 30 EIEDRO C[C@@H](CCc1cncc2ccccc21)[NH2+]Cc1ccc(CC#N)cc1 ZINC000866382253 1053710654 /nfs/dbraw/zinc/71/06/54/1053710654.db2.gz YQIUBBZQCMFKFD-KRWDZBQOSA-N 1 0 329.447 4.412 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)s1 ZINC000866446980 1053732404 /nfs/dbraw/zinc/73/24/04/1053732404.db2.gz VUQGQACWBKSSBG-OAHLLOKOSA-N 1 0 325.481 4.248 20 30 EIEDRO Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccccc3C#N)CC2)cs1 ZINC000866449080 1053734334 /nfs/dbraw/zinc/73/43/34/1053734334.db2.gz QSSIUMPGDDDSCV-OAHLLOKOSA-N 1 0 325.481 4.248 20 30 EIEDRO CC1CC[NH+](Cc2ccccc2CNCc2csc(C#N)c2)CC1 ZINC000921541157 1053751419 /nfs/dbraw/zinc/75/14/19/1053751419.db2.gz WIJJFYUAZPEHAY-UHFFFAOYSA-N 1 0 339.508 4.141 20 30 EIEDRO [NH3+]CC[C@H]1CN(c2cc(/C=N/O)cc(C(F)(F)F)c2)c2ccccc21 ZINC001168547797 1053787491 /nfs/dbraw/zinc/78/74/91/1053787491.db2.gz HYKWEVDHQYEWNM-YCYNJWQJSA-N 1 0 349.356 4.098 20 30 EIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)ccc1OC(C)C ZINC000776725426 1053793424 /nfs/dbraw/zinc/79/34/24/1053793424.db2.gz AMCRLNFTQSFCSV-CQSZACIVSA-N 1 0 342.414 4.344 20 30 EIEDRO N#CC1(CC[NH+]2CCN(c3cccc4[nH]ccc43)CC2)CCCCC1 ZINC001196919863 1053800960 /nfs/dbraw/zinc/80/09/60/1053800960.db2.gz PITJAQBKEIGMCA-UHFFFAOYSA-N 1 0 336.483 4.154 20 30 EIEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC000866616720 1053807312 /nfs/dbraw/zinc/80/73/12/1053807312.db2.gz APUIIMSBUCNUDH-OOMBGRCJSA-N 1 0 341.458 4.019 20 30 EIEDRO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC001197041379 1053824075 /nfs/dbraw/zinc/82/40/75/1053824075.db2.gz MKWVBSVONRMGQJ-LJQANCHMSA-N 1 0 338.426 4.344 20 30 EIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCc1ccccn1 ZINC000130762786 1053865710 /nfs/dbraw/zinc/86/57/10/1053865710.db2.gz CDCRLAYVWOMYIA-UHFFFAOYSA-N 1 0 343.430 4.164 20 30 EIEDRO N#CCCC[C@@H](NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1ccccc1 ZINC000868177035 1053880662 /nfs/dbraw/zinc/88/06/62/1053880662.db2.gz WDFHILSASYJERE-XUVXKRRUSA-N 1 0 348.450 4.058 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000113328159 1053923264 /nfs/dbraw/zinc/92/32/64/1053923264.db2.gz GLAOIMLWHFTHKO-JTHBVZDNSA-N 1 0 349.474 4.346 20 30 EIEDRO N#CCc1cc2ccccc2c(N2C[C@@H](CC[NH3+])c3ccccc32)c1 ZINC001168554929 1053929808 /nfs/dbraw/zinc/92/98/08/1053929808.db2.gz HEQRHJPFGWGBPA-GOSISDBHSA-N 1 0 327.431 4.490 20 30 EIEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(F)cc(Br)c1 ZINC000339091780 1054009059 /nfs/dbraw/zinc/00/90/59/1054009059.db2.gz TVBWAFLSOWQTKL-VQISRLSMSA-N 1 0 325.225 4.321 20 30 EIEDRO C#CCC1([NH2+]Cc2cc(C#N)ccc2Br)CCCCC1 ZINC001198084973 1054068491 /nfs/dbraw/zinc/06/84/91/1054068491.db2.gz NFTGUPRDULBCRZ-UHFFFAOYSA-N 1 0 331.257 4.137 20 30 EIEDRO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC001198269593 1054120440 /nfs/dbraw/zinc/12/04/40/1054120440.db2.gz AVAGELUGTFATQB-GLBTYYSXSA-N 1 0 344.458 4.174 20 30 EIEDRO C=CCCC[N@@H+](CC)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC001198457940 1054148980 /nfs/dbraw/zinc/14/89/80/1054148980.db2.gz OLMHQNDQANOAAJ-UHFFFAOYSA-N 1 0 331.435 4.405 20 30 EIEDRO C=CC[C@@H]1CC[N@H+]1CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC001198490796 1054163143 /nfs/dbraw/zinc/16/31/43/1054163143.db2.gz KSGDAMCPFNUCIY-MSOLQXFVSA-N 1 0 332.463 4.070 20 30 EIEDRO COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccc(C#N)cc1)CCCC2 ZINC000872026269 1054340522 /nfs/dbraw/zinc/34/05/22/1054340522.db2.gz ZYYICZBKQXNMGZ-IBGZPJMESA-N 1 0 336.435 4.133 20 30 EIEDRO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872033155 1054349200 /nfs/dbraw/zinc/34/92/00/1054349200.db2.gz FYPWZNHFVKBZLB-AWEZNQCLSA-N 1 0 349.500 4.008 20 30 EIEDRO C=CCc1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc(OC)c1OC ZINC000872048350 1054362637 /nfs/dbraw/zinc/36/26/37/1054362637.db2.gz YODVCXPSYZEGFM-GOSISDBHSA-N 1 0 345.483 4.014 20 30 EIEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccnc2C)cc1 ZINC000872135585 1054410450 /nfs/dbraw/zinc/41/04/50/1054410450.db2.gz WZVUQPIODHLCHZ-HIFRSBDPSA-N 1 0 331.847 4.328 20 30 EIEDRO C=CC[C@@H]([NH2+]Cc1cc(OCC)c(OC)cc1F)c1ccncc1 ZINC000858139587 1054423077 /nfs/dbraw/zinc/42/30/77/1054423077.db2.gz WTPAECLDIDSTJP-QGZVFWFLSA-N 1 0 330.403 4.035 20 30 EIEDRO C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[C@H](SC)C2)cc1OC ZINC000858147424 1054425104 /nfs/dbraw/zinc/42/51/04/1054425104.db2.gz OSTRCPQEMKPUKI-KBPBESRZSA-N 1 0 341.904 4.287 20 30 EIEDRO CN(C)c1cc(F)c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cc1F ZINC000858186048 1054433590 /nfs/dbraw/zinc/43/35/90/1054433590.db2.gz OSDKLNYVXAXUNK-UHFFFAOYSA-N 1 0 341.405 4.071 20 30 EIEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000858334081 1054467139 /nfs/dbraw/zinc/46/71/39/1054467139.db2.gz RISBWBNAGDOWGO-CQSZACIVSA-N 1 0 340.448 4.074 20 30 EIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2Sc2ccc(F)cc2)nc1 ZINC000858408303 1054483621 /nfs/dbraw/zinc/48/36/21/1054483621.db2.gz RROURWLHSNXUPJ-MOPGFXCFSA-N 1 0 341.455 4.285 20 30 EIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(O)c(Cl)c2)c1 ZINC000873178777 1054502210 /nfs/dbraw/zinc/50/22/10/1054502210.db2.gz BHAXTWZFFZHRDY-UHFFFAOYSA-N 1 0 330.815 4.018 20 30 EIEDRO N#Cc1ccc(C2CC[NH+](Cc3ccc(N4CCCC4)o3)CC2)cc1 ZINC001137070456 1054523169 /nfs/dbraw/zinc/52/31/69/1054523169.db2.gz LWNQYRSWXSVFSG-UHFFFAOYSA-N 1 0 335.451 4.131 20 30 EIEDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC000776154991 1054743053 /nfs/dbraw/zinc/74/30/53/1054743053.db2.gz FKKGBVDKMUDKKO-MRXNPFEDSA-N 1 0 339.508 4.243 20 30 EIEDRO C[C@@H]([NH2+]CCc1ccc2ccccc2n1)c1ccc(OCC#N)cc1 ZINC000776160609 1054763177 /nfs/dbraw/zinc/76/31/77/1054763177.db2.gz PERWBBBPNOCIKD-MRXNPFEDSA-N 1 0 331.419 4.030 20 30 EIEDRO CC(C)c1ccc(OCC[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000776161675 1054783202 /nfs/dbraw/zinc/78/32/02/1054783202.db2.gz YQGQIUFFLNURFU-KRWDZBQOSA-N 1 0 338.451 4.442 20 30 EIEDRO CC(C)OCc1ccccc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000776161171 1054786037 /nfs/dbraw/zinc/78/60/37/1054786037.db2.gz UVZXERSSHRXZHR-KRWDZBQOSA-N 1 0 338.451 4.365 20 30 EIEDRO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@H](OC)C2(CC)CC)c1 ZINC000776165487 1054791844 /nfs/dbraw/zinc/79/18/44/1054791844.db2.gz RDUWTXLUSGIJFV-QRQLOZEOSA-N 1 0 330.472 4.051 20 30 EIEDRO Cc1cc(Nc2ccc(C(F)(F)F)cc2C#N)n(-c2cc[nH+]cc2)n1 ZINC001201691421 1054890425 /nfs/dbraw/zinc/89/04/25/1054890425.db2.gz JUANRYBTIMVARY-UHFFFAOYSA-N 1 0 343.312 4.210 20 30 EIEDRO CCCCCCC[N@H+]1Cc2ncn(C)c2[C@H](COCC2CCCC2)C1 ZINC001201762385 1054900129 /nfs/dbraw/zinc/90/01/29/1054900129.db2.gz IKAZAIOFCRISLS-IBGZPJMESA-N 1 0 347.547 4.497 20 30 EIEDRO CCCCCCC[N@H+]1Cc2ncn(C)c2[C@@H](COCC2CCCC2)C1 ZINC001201762386 1054900850 /nfs/dbraw/zinc/90/08/50/1054900850.db2.gz IKAZAIOFCRISLS-LJQANCHMSA-N 1 0 347.547 4.497 20 30 EIEDRO CCCCCCCC[NH+]1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC001201813618 1054911673 /nfs/dbraw/zinc/91/16/73/1054911673.db2.gz HINJRWKTSYLDMJ-GOSISDBHSA-N 1 0 333.520 4.119 20 30 EIEDRO CCCCCCCCC[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001201839276 1054930600 /nfs/dbraw/zinc/93/06/00/1054930600.db2.gz JZUJMTUPXBTUMF-HDICACEKSA-N 1 0 335.561 4.257 20 30 EIEDRO CCCCCCCCC[N@@H+]1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001201838661 1054931795 /nfs/dbraw/zinc/93/17/95/1054931795.db2.gz BHWMYWOXUSUVFQ-UNMCSNQZSA-N 1 0 342.527 4.343 20 30 EIEDRO CCCCCCCCCC[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC001201875320 1054941815 /nfs/dbraw/zinc/94/18/15/1054941815.db2.gz VKTAFOKFTBBUIS-UHFFFAOYSA-N 1 0 345.531 4.417 20 30 EIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccccc2OC2CCC2)cc1 ZINC000118454759 1054980136 /nfs/dbraw/zinc/98/01/36/1054980136.db2.gz DVHRFAWKURBHDY-UHFFFAOYSA-N 1 0 349.478 4.258 20 30 EIEDRO C#CCCCCCC[NH2+][C@@H](c1nc(-c2cccnc2)no1)C(C)C ZINC000877148781 1055027417 /nfs/dbraw/zinc/02/74/17/1055027417.db2.gz VCMNELCJVPNBKE-QGZVFWFLSA-N 1 0 326.444 4.002 20 30 EIEDRO N#CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cccnc2)cc1 ZINC001137119566 1055042112 /nfs/dbraw/zinc/04/21/12/1055042112.db2.gz WCOPMVHDCGDBMN-UHFFFAOYSA-N 1 0 343.430 4.186 20 30 EIEDRO CCCN(Cc1cc(C#N)cnc1Cl)[C@H]1CCCc2cccnc21 ZINC000877412729 1055048799 /nfs/dbraw/zinc/04/87/99/1055048799.db2.gz WXSDTWUZRGNJLI-KRWDZBQOSA-N 1 0 340.858 4.291 20 30 EIEDRO CC[NH+](CC)Cc1ccc(NCc2cc(C#N)cnc2Cl)cc1 ZINC000877466479 1055057126 /nfs/dbraw/zinc/05/71/26/1055057126.db2.gz KVRPEHCBSLXDOC-UHFFFAOYSA-N 1 0 328.847 4.061 20 30 EIEDRO COCCCC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000877488942 1055064028 /nfs/dbraw/zinc/06/40/28/1055064028.db2.gz JEADDJLUWGGUIZ-SFHVURJKSA-N 1 0 343.858 4.254 20 30 EIEDRO Fc1ccc(C[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)nc1 ZINC000862417019 1055064562 /nfs/dbraw/zinc/06/45/62/1055064562.db2.gz ZTDODRSNQQXHRU-UHFFFAOYSA-N 1 0 332.263 4.364 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)CC[P@](C)(=O)OCC)c1ccc(Cl)cc1F ZINC000877516813 1055067779 /nfs/dbraw/zinc/06/77/79/1055067779.db2.gz ITELCHREDSNHEZ-KFVPTDEHSA-N 1 0 345.782 4.466 20 30 EIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC001202193946 1055080359 /nfs/dbraw/zinc/08/03/59/1055080359.db2.gz LDGAPZDSTKBWED-UNMCSNQZSA-N 1 0 337.463 4.336 20 30 EIEDRO C[C@@H](CCC#N)C[N@@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000877601219 1055087808 /nfs/dbraw/zinc/08/78/08/1055087808.db2.gz XUBVOAUVLCTESA-DLBZAZTESA-N 1 0 349.519 4.038 20 30 EIEDRO N#CCOc1ccc(C[NH+]2CCC(c3ccc(F)cc3F)CC2)cc1 ZINC001137123773 1055089288 /nfs/dbraw/zinc/08/92/88/1055089288.db2.gz CEPAGHBOLXNSLD-UHFFFAOYSA-N 1 0 342.389 4.247 20 30 EIEDRO CCOP(=O)(CCC[NH2+]C(C)(C)c1cccc(C#N)c1)OCC ZINC000877623508 1055093072 /nfs/dbraw/zinc/09/30/72/1055093072.db2.gz ROOXNRLVXQDZFY-UHFFFAOYSA-N 1 0 338.388 4.039 20 30 EIEDRO COc1ccc([C@@H]2C[C@H]([NH2+]C34CCC(C#N)(CC3)CC4)CCO2)cc1 ZINC001168598198 1055094502 /nfs/dbraw/zinc/09/45/02/1055094502.db2.gz DHDZTJUOOPAFJM-GJHJYOIJSA-N 1 0 340.467 4.121 20 30 EIEDRO COC(=O)CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001202252070 1055096617 /nfs/dbraw/zinc/09/66/17/1055096617.db2.gz AMOPBRWOTVYTOP-KRWDZBQOSA-N 1 0 336.435 4.075 20 30 EIEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000126674090 1055108495 /nfs/dbraw/zinc/10/84/95/1055108495.db2.gz WEPKBXVYKMYEPD-DHIUTWEWSA-N 1 0 342.442 4.165 20 30 EIEDRO C[C@H]1CC[N@H+](CCOCCC#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000339045547 1055113257 /nfs/dbraw/zinc/11/32/57/1055113257.db2.gz UVHSTENFIIFPDQ-BBRMVZONSA-N 1 0 326.362 4.019 20 30 EIEDRO C=CCC1(C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CCCC1 ZINC001202380649 1055157749 /nfs/dbraw/zinc/15/77/49/1055157749.db2.gz FVBVZSVQTNHTMX-CQSZACIVSA-N 1 0 346.462 4.261 20 30 EIEDRO CC[N@H+](CCc1cccs1)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878014283 1055175096 /nfs/dbraw/zinc/17/50/96/1055175096.db2.gz JMCXRPZRNBAVEX-HXUWFJFHSA-N 1 0 340.492 4.053 20 30 EIEDRO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2ccccc2[C@H]1C)c1ccccc1 ZINC000878082816 1055184483 /nfs/dbraw/zinc/18/44/83/1055184483.db2.gz GIPIBDLYJAGGSR-VGSWGCGISA-N 1 0 332.447 4.046 20 30 EIEDRO CCCCCCCC[C@H](O)C[NH2+]Cc1cccnc1Br ZINC001252141136 1055284843 /nfs/dbraw/zinc/28/48/43/1055284843.db2.gz WQQMNECCLJXOOL-HNNXBMFYSA-N 1 0 343.309 4.045 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1)c1ccccc1 ZINC000878405587 1055294859 /nfs/dbraw/zinc/29/48/59/1055294859.db2.gz IHBRZFCKTOVZGA-FYYLOGMGSA-N 1 0 346.474 4.225 20 30 EIEDRO CC(=O)[C@](C#N)(CC[N@@H+](C)C/C(C)=C/c1ccccc1)c1ccccc1 ZINC000878509637 1055329733 /nfs/dbraw/zinc/32/97/33/1055329733.db2.gz SEXFMIHGHOLRNN-WNLUNTPQSA-N 1 0 346.474 4.462 20 30 EIEDRO N#CCC1(C[NH+]2CCC(O)(c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000878524387 1055332483 /nfs/dbraw/zinc/33/24/83/1055332483.db2.gz OPBUDUCYFUBLAD-UHFFFAOYSA-N 1 0 346.474 4.331 20 30 EIEDRO CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1cc2ccccc2o1 ZINC000127265620 1055366888 /nfs/dbraw/zinc/36/68/88/1055366888.db2.gz TWHBIMXNGYZYDV-HNAYVOBHSA-N 1 0 334.419 4.421 20 30 EIEDRO FC(F)(F)c1coc(CN2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000878804292 1055398058 /nfs/dbraw/zinc/39/80/58/1055398058.db2.gz TUEDHXSIIWMGDB-UHFFFAOYSA-N 1 0 331.231 4.165 20 30 EIEDRO CC[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1ccc(C#N)cc1 ZINC000618562570 1055778092 /nfs/dbraw/zinc/77/80/92/1055778092.db2.gz JJOBSQYREMNMKV-OAQYLSRUSA-N 1 0 334.463 4.347 20 30 EIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3ncccc3C#N)cc2)C1 ZINC000301082471 1055893653 /nfs/dbraw/zinc/89/36/53/1055893653.db2.gz IFAWFTHDWXLHDE-IRXDYDNUSA-N 1 0 334.467 4.043 20 30 EIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNc3ncccc3C#N)cc2)C1 ZINC000301082469 1055893994 /nfs/dbraw/zinc/89/39/94/1055893994.db2.gz IFAWFTHDWXLHDE-IAGOWNOFSA-N 1 0 334.467 4.043 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(NC[C@@H](c3ccco3)[NH+](C)C)c2c1 ZINC000301357403 1055925596 /nfs/dbraw/zinc/92/55/96/1055925596.db2.gz PCLWJXALVYVMJE-KRWDZBQOSA-N 1 0 334.423 4.031 20 30 EIEDRO Cc1cc(C)c2ncc(C#N)c(NC[C@H](c3ccco3)[NH+](C)C)c2c1 ZINC000301357407 1055927204 /nfs/dbraw/zinc/92/72/04/1055927204.db2.gz PCLWJXALVYVMJE-QGZVFWFLSA-N 1 0 334.423 4.031 20 30 EIEDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ccc(C#N)cc1 ZINC000301409867 1055931595 /nfs/dbraw/zinc/93/15/95/1055931595.db2.gz JLARPFCSQHAVSR-UHFFFAOYSA-N 1 0 331.419 4.395 20 30 EIEDRO C[N@@H+]1CCC[C@@H](CNc2c(F)cc(C#N)cc2F)[C@H]1c1cccs1 ZINC000301458074 1055939240 /nfs/dbraw/zinc/93/92/40/1055939240.db2.gz ZJASOYUUJGCICA-UGSOOPFHSA-N 1 0 347.434 4.393 20 30 EIEDRO CC(C)C[NH+]1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000301729949 1055976978 /nfs/dbraw/zinc/97/69/78/1055976978.db2.gz CRRXYBHAOJAPMC-UHFFFAOYSA-N 1 0 325.378 4.109 20 30 EIEDRO N#Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1C(F)(F)F ZINC000301747557 1055978743 /nfs/dbraw/zinc/97/87/43/1055978743.db2.gz RCUWRDXTQSNOLY-MRXNPFEDSA-N 1 0 349.356 4.419 20 30 EIEDRO C[N@@H+]1CC[C@@H](Nc2ccc(Cl)c(C#N)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000301868067 1055995540 /nfs/dbraw/zinc/99/55/40/1055995540.db2.gz IPGOWSKKRPZTDG-PBHICJAKSA-N 1 0 347.249 4.117 20 30 EIEDRO C[C@@H](CNc1ccc2cc(C#N)ccc2n1)[N@@H+]1CCc2sccc2C1 ZINC000301991773 1056006473 /nfs/dbraw/zinc/00/64/73/1056006473.db2.gz YMZDHXOXRIESNE-AWEZNQCLSA-N 1 0 348.475 4.027 20 30 EIEDRO CC1CC[NH+](C[C@H]2CCCN(c3cc(C#N)nc4ccccc43)C2)CC1 ZINC000301997548 1056007131 /nfs/dbraw/zinc/00/71/31/1056007131.db2.gz UMMQMYLQANZJFR-GOSISDBHSA-N 1 0 348.494 4.055 20 30 EIEDRO CC1CC[NH+](Cc2ccccc2CNc2c(C#N)cccc2C#N)CC1 ZINC000302865195 1056081899 /nfs/dbraw/zinc/08/18/99/1056081899.db2.gz XXONZXJJEWWLDK-UHFFFAOYSA-N 1 0 344.462 4.274 20 30 EIEDRO C=CCSCC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000542827052 1056151633 /nfs/dbraw/zinc/15/16/33/1056151633.db2.gz NEYMEKCNODFOGL-CYBMUJFWSA-N 1 0 330.266 4.084 20 30 EIEDRO CC[NH+](CC)CC1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000462793163 1056379901 /nfs/dbraw/zinc/37/99/01/1056379901.db2.gz YSTFQDCEFHUKNM-UHFFFAOYSA-N 1 0 339.405 4.135 20 30 EIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000304224025 1056391954 /nfs/dbraw/zinc/39/19/54/1056391954.db2.gz FVQWDLLPWFFFKD-BTYIYWSLSA-N 1 0 338.426 4.204 20 30 EIEDRO N#C[C@@H]1CC[C@H]([NH2+]C2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC000619672156 1056517674 /nfs/dbraw/zinc/51/76/74/1056517674.db2.gz VNACSZCONKPPNI-DBIOUOCHSA-N 1 0 328.300 4.178 20 30 EIEDRO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1c1ccccc1 ZINC000252465863 1056735689 /nfs/dbraw/zinc/73/56/89/1056735689.db2.gz PPORAFBTIHICAP-FXAWDEMLSA-N 1 0 347.462 4.012 20 30 EIEDRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000619611153 1056750333 /nfs/dbraw/zinc/75/03/33/1056750333.db2.gz RWWUDPJUFIPLNQ-GFCCVEGCSA-N 1 0 336.332 4.437 20 30 EIEDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934879 1056796340 /nfs/dbraw/zinc/79/63/40/1056796340.db2.gz ZKPMWUIQUTVMKV-SJORKVTESA-N 1 0 349.478 4.037 20 30 EIEDRO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934876 1056797501 /nfs/dbraw/zinc/79/75/01/1056797501.db2.gz ZKPMWUIQUTVMKV-DLBZAZTESA-N 1 0 349.478 4.037 20 30 EIEDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)ccc1OC(F)F ZINC000075755777 1056810770 /nfs/dbraw/zinc/81/07/70/1056810770.db2.gz OMNQYGUQLPDCDF-CYBMUJFWSA-N 1 0 346.377 4.409 20 30 EIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCCCC1 ZINC000007786499 1056818290 /nfs/dbraw/zinc/81/82/90/1056818290.db2.gz GZZDZDUOIRJGRG-UHFFFAOYSA-N 1 0 345.512 4.092 20 30 EIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)cc1 ZINC000063549185 1056818454 /nfs/dbraw/zinc/81/84/54/1056818454.db2.gz KSVBGVVXUJJVMN-UHFFFAOYSA-N 1 0 333.366 4.174 20 30 EIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)ccn1 ZINC000542945358 1056829669 /nfs/dbraw/zinc/82/96/69/1056829669.db2.gz QRGNOIQNYCUJRJ-INIZCTEOSA-N 1 0 343.430 4.480 20 30 EIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC#N)cc2)C12CCCCC2 ZINC000741803462 1058382042 /nfs/dbraw/zinc/38/20/42/1058382042.db2.gz BZENRNQYTPPMOW-UXHICEINSA-N 1 0 342.483 4.149 20 30 EIEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2F)cc1 ZINC000742391028 1058590358 /nfs/dbraw/zinc/59/03/58/1058590358.db2.gz ZRMHOWLCOVKJNS-OAHLLOKOSA-N 1 0 329.390 4.260 20 30 EIEDRO C=CCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)c2c(F)cccc2F)cc1 ZINC000742711843 1058722040 /nfs/dbraw/zinc/72/20/40/1058722040.db2.gz BHAAIQDXCNUATN-AZUAARDMSA-N 1 0 347.405 4.131 20 30 EIEDRO C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000742689215 1058725901 /nfs/dbraw/zinc/72/59/01/1058725901.db2.gz NISGEENMZVUMDG-MRXNPFEDSA-N 1 0 341.886 4.411 20 30 EIEDRO C=CCc1cc(OCC)cc(C[N@H+](C)CCc2cccs2)c1O ZINC000743384590 1058969731 /nfs/dbraw/zinc/96/97/31/1058969731.db2.gz RUVYMONVPMWPQS-UHFFFAOYSA-N 1 0 331.481 4.255 20 30 EIEDRO Clc1ccc(OC2CCCC2)c(C=NNCC[NH+]2CCCCC2)c1 ZINC000743439247 1059007243 /nfs/dbraw/zinc/00/72/43/1059007243.db2.gz TTXMIHUJADGGJM-UHFFFAOYSA-N 1 0 349.906 4.071 20 30 EIEDRO Cc1c(C[NH2+][C@H](C)c2cccc(C#N)c2)sc2nc(C)nc(C)c12 ZINC000743495120 1059031662 /nfs/dbraw/zinc/03/16/62/1059031662.db2.gz AVDCADVTHOXDDJ-GFCCVEGCSA-N 1 0 336.464 4.339 20 30 EIEDRO CC[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 ZINC000743860899 1059165534 /nfs/dbraw/zinc/16/55/34/1059165534.db2.gz YXIXEAHZAXAQRP-NQIIRXRSSA-N 1 0 341.499 4.142 20 30 EIEDRO C#CC[N@@H+](C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000744739278 1059625644 /nfs/dbraw/zinc/62/56/44/1059625644.db2.gz RDVSTIPPEDAFAV-OXJNMPFZSA-N 1 0 349.902 4.046 20 30 EIEDRO CCN(CC)c1ccc(/C=[NH+]/Cc2cccc3cccnc32)c(O)c1 ZINC000745012839 1059689936 /nfs/dbraw/zinc/68/99/36/1059689936.db2.gz ORRTXRIUEKSRHW-HYARGMPZSA-N 1 0 333.435 4.406 20 30 EIEDRO C#CCOc1ccccc1C[NH2+]Cc1ccc(Br)c(C)c1 ZINC000746053303 1059993910 /nfs/dbraw/zinc/99/39/10/1059993910.db2.gz MHAWDOAFGKKKFI-UHFFFAOYSA-N 1 0 344.252 4.059 20 30 EIEDRO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)c1 ZINC000746157946 1060051956 /nfs/dbraw/zinc/05/19/56/1060051956.db2.gz YPQMZGMVGXXMDC-QHCPKHFHSA-N 1 0 342.442 4.294 20 30 EIEDRO CCOc1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)ccc1Cl ZINC001212578146 1060265118 /nfs/dbraw/zinc/26/51/18/1060265118.db2.gz OOAAIVTVWKUGAU-UHFFFAOYSA-N 1 0 347.871 4.403 20 30 EIEDRO C#C[C@H]([NH2+][C@@H](C)CCc1cccnc1)c1ccc(Br)cc1 ZINC001205991011 1060273545 /nfs/dbraw/zinc/27/35/45/1060273545.db2.gz ZWDPAVJUVMNINQ-KSSFIOAISA-N 1 0 343.268 4.129 20 30 EIEDRO CCCCCCCC[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168899207 1060493677 /nfs/dbraw/zinc/49/36/77/1060493677.db2.gz DVKBJHPUTFFPNX-LJQANCHMSA-N 1 0 346.515 4.136 20 30 EIEDRO COCC[C@H](c1ccccc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001168875090 1060497985 /nfs/dbraw/zinc/49/79/85/1060497985.db2.gz WKRDDDVZBIKGDD-JOCHJYFZSA-N 1 0 332.447 4.425 20 30 EIEDRO Cc1ccc(N2CC[NH+](CCCCC3(C#N)CCC3)CC2)cc1C ZINC001168919429 1060521959 /nfs/dbraw/zinc/52/19/59/1060521959.db2.gz ZPLNMBWYFWTDQN-UHFFFAOYSA-N 1 0 325.500 4.290 20 30 EIEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC001169003853 1060574359 /nfs/dbraw/zinc/57/43/59/1060574359.db2.gz IPTDCIUHWJXQPL-CYBMUJFWSA-N 1 0 347.890 4.297 20 30 EIEDRO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2OC(F)F)cc1 ZINC000766567648 1060590100 /nfs/dbraw/zinc/59/01/00/1060590100.db2.gz KMPLGJBLOLYKOJ-HNNXBMFYSA-N 1 0 345.389 4.459 20 30 EIEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C(c1ccccc1)c1ccccc1 ZINC001169104165 1060637993 /nfs/dbraw/zinc/63/79/93/1060637993.db2.gz ZTRQGZUJNWGSJB-NQIIRXRSSA-N 1 0 348.490 4.241 20 30 EIEDRO C#C[C@H]([NH2+]Cc1cccc(SCc2ccccc2)c1)[C@@H]1CCCO1 ZINC001169495914 1060835337 /nfs/dbraw/zinc/83/53/37/1060835337.db2.gz RXGFMGUJBFHSDJ-SFTDATJTSA-N 1 0 337.488 4.249 20 30 EIEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)C(C)C ZINC001169676616 1060894165 /nfs/dbraw/zinc/89/41/65/1060894165.db2.gz RVZKYRCXQWXERN-HXUWFJFHSA-N 1 0 343.515 4.033 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncc(C#N)c2ccccc21 ZINC001169682675 1060896112 /nfs/dbraw/zinc/89/61/12/1060896112.db2.gz FPQLUMWKWWYQQJ-IBGZPJMESA-N 1 0 328.419 4.347 20 30 EIEDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nc2ccccc2cc1C#N ZINC001169683474 1060896434 /nfs/dbraw/zinc/89/64/34/1060896434.db2.gz NBYKPRDVXRMZCE-GOSISDBHSA-N 1 0 328.419 4.347 20 30 EIEDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc(C#N)cc(C(F)(F)F)n1 ZINC001169684758 1060898420 /nfs/dbraw/zinc/89/84/20/1060898420.db2.gz LMYNBURSXHBNRU-AWEZNQCLSA-N 1 0 346.356 4.212 20 30 EIEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC001169953830 1061050759 /nfs/dbraw/zinc/05/07/59/1061050759.db2.gz WACBAKCRTCQVDL-HXUWFJFHSA-N 1 0 342.483 4.218 20 30 EIEDRO C#CCCC[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000766894300 1061056324 /nfs/dbraw/zinc/05/63/24/1061056324.db2.gz AGGKTGIUOFSNTH-UHFFFAOYSA-N 1 0 327.255 4.057 20 30 EIEDRO C#CCCC[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000766895506 1061056435 /nfs/dbraw/zinc/05/64/35/1061056435.db2.gz OHKPNIOIHZTPBE-UHFFFAOYSA-N 1 0 327.255 4.057 20 30 EIEDRO C#CCCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000766902242 1061063265 /nfs/dbraw/zinc/06/32/65/1061063265.db2.gz ZFQAODOREDRRAH-UHFFFAOYSA-N 1 0 333.435 4.102 20 30 EIEDRO CC(=NNc1cccc(C#N)c1)c1ccc(O)c(C[NH+]2CCCCC2)c1 ZINC000767360515 1061210736 /nfs/dbraw/zinc/21/07/36/1061210736.db2.gz HTTLRTRNSMBZLT-UHFFFAOYSA-N 1 0 348.450 4.086 20 30 EIEDRO CC[N@@H+]1CCCC[C@H]1c1ccc(N(C)Cc2ccc(C#N)cc2)nc1 ZINC001165017903 721837296 /nfs/dbraw/zinc/83/72/96/721837296.db2.gz RNESYHFFANRCMG-FQEVSTJZSA-N 1 0 334.467 4.137 20 30 EIEDRO